A0A061IJH3_CRIGR Loading...

Activating transcription factor 6 beta

AlphaFold DB , UniProt , Accession A0A061IJH3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Atf6b, Length 707 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
1M48.6Very low47.4Very low239 Ų239112.1 Ų112.1100%1.17771%0.711SS**  0149.20-56.293102.100108
2V47.1Very low47.7Very low153 Ų153112.8 Ų112.893%0.92770%0.701SS**  cis-118.5140.59.61750000110.2
3G45.7Very low48Very low79 Ų79113.4 Ų113.481%0.81470%0.695SS**  trans-156.8132.6171.500000109.9
4G45.1Very low47.9Very low62 Ų62112.5 Ų112.564%0.63968%0.684SS**  trans172.8-32-177.600000116
5G45Very low47.8Very low61 Ų61109.9 Ų109.963%0.62967%0.672SS**SBendtrans-66.9-54.5-172.900000115.4K7 M8G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.44Å; G5-M8 PolarHBondContact O-N 3.1Å; G5-M8 VanDerWaalsContact O-N 3.13Å
6G44.4Very low47.7Very low67 Ų67113.3 Ų113.369%0.69168%0.678SS**Hα-helixtrans-59.5-34-166.700000115.6M8G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 3.49Å
7K46.6Very low47.7Very low158 Ų158114.4 Ų114.469%0.68768%0.678SS**Hα-helixtrans-71.4-22.3-178.7-69.7-168.5174-171.20113.7G5 L11G5-K7 VanDerWaalsContact C-N 3.31Å; G5-K7 PolarHBondContact O-N 3.44Å; K7-L11 VanDerWaalsContact O-CB 3.32Å; K7-L11 WeakPolarHBondContact O-CB 3.21Å; K7-L11 WeakPolarHBondContact O-CD1 3.34Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 3.17Å
8M48.3Very low47.5Very low120 Ų120112.1 Ų112.159%0.59167%0.674SS**Hα-helixtrans-75.1-35.1-176.6-151.3-173-68.300112.1G5 G6 L11 M12G5-M8 PolarHBondContact O-N 3.1Å; G5-M8 VanDerWaalsContact O-N 3.13Å; G6-M8 VanDerWaalsContact C-N 3.31Å; G6-M8 PolarHBondContact O-N 3.49Å; M8-L11 PolarHBondContact O-N 3.34Å; M8-M12 HydrophobicContact CG-CE 4.23Å; M8-M12 WeakPolarHBondContact O-CB 3.37Å; M8-M12 VanDerWaalsContact O-CG 3.31Å; M8-M12 WeakPolarHBondContact O-CG 3.36Å; M8-M12 PolarHBondContact O-N 3.37Å; M8-M12 HydrophobicContact SD-CE 4.09Å
9A50.5Low47.2Very low64 Ų64110.4 Ų110.453%0.52966%0.661SS.*Hα-helixtrans-68.9-41.8175.500000112.3M12 L13A9-M12 PolarHBondContact O-N 3.02Å; A9-L13 PolarHBondContact O-N 3.07Å; A9-L13 VanDerWaalsContact O-N 3.08Å
10E49.8Very low47.1Very low128 Ų128109.2 Ų109.260%0.59866%0.656SS**Hα-helixtrans-64.3-40.3175.1-169.5175.5-148.900111.4L14E10-L14 HydrophobicContact CG-CD1 4.48Å; E10-L14 WeakPolarHBondContact O-CG 3.26Å; E10-L14 PolarHBondContact O-N 2.83Å; E10-L14 VanDerWaalsContact O-N 3.11Å
11L50.7Low47Very low102 Ų102108.3 Ų108.353%0.53465%0.651SS.*Hα-helixtrans-67.8-35.5173.7-73.8171000112.6K7 M8 L14 S15K7-L11 VanDerWaalsContact O-CB 3.32Å; K7-L11 WeakPolarHBondContact O-CB 3.21Å; K7-L11 WeakPolarHBondContact O-CD1 3.34Å; K7-L11 VanDerWaalsContact O-CG 3.22Å; K7-L11 WeakPolarHBondContact O-CG 3.34Å; K7-L11 PolarHBondContact O-N 3.17Å; M8-L11 PolarHBondContact O-N 3.34Å; L11-L14 CarbonylContact O-C 3.59Å; L11-L14 PolarHBondContact O-N 2.91Å; L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.42Å
12M50.6Low46.8Very low121 Ų121106.7 Ų106.760%0.59663%0.632SS**Hα-helixtrans-65.3-45.1176.2-78.8176.1178.900111.5M8 A9 L14 S15 E16M8-M12 HydrophobicContact CG-CE 4.23Å; M8-M12 WeakPolarHBondContact O-CB 3.37Å; M8-M12 VanDerWaalsContact O-CG 3.31Å; M8-M12 WeakPolarHBondContact O-CG 3.36Å; M8-M12 PolarHBondContact O-N 3.37Å; M8-M12 HydrophobicContact SD-CE 4.09Å; A9-M12 PolarHBondContact O-N 3.02Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 3.06Å; M12-S15 WeakPolarHBondContact O-CB 3.47Å; M12-S15 PolarHBondContact O-N 3.27Å; M12-E16 PolarHBondContact O-N 3.07Å
13L51.9Low46.8Very low120 Ų120105.1 Ų105.163%0.62861%0.613SS**Hα-helixtrans-62.6-33.5174.9-122.596.1000112.7A9 I17A9-L13 PolarHBondContact O-N 3.07Å; A9-L13 VanDerWaalsContact O-N 3.08Å; L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å
14L46.1Very low46.6Very low101 Ų101109.2 Ų109.253%0.52961%0.609SS.*Hα-helixtrans-74.3-30.4172.7-72.4167.7000112.7E10 L11 M12 I17 A18E10-L14 HydrophobicContact CG-CD1 4.48Å; E10-L14 WeakPolarHBondContact O-CG 3.26Å; E10-L14 PolarHBondContact O-N 2.83Å; E10-L14 VanDerWaalsContact O-N 3.11Å; L11-L14 CarbonylContact O-C 3.59Å; L11-L14 PolarHBondContact O-N 2.91Å; M12-L14 VanDerWaalsContact C-N 3.27Å; M12-L14 PolarHBondContact O-N 3.06Å; L14-I17 PolarHBondContact O-N 3.11Å; L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.41Å; L14-A18 VanDerWaalsContact O-N 3.14Å
15S46.8Very low46.4Very low73 Ų73110.6 Ų110.651%0.5161%0.605SS.*Hα-helixtrans-71.3-40.5177.8-580000111.4L11 M12 I17 A18 D19L11-S15 WeakPolarHBondContact O-CB 3.41Å; L11-S15 PolarHBondContact O-N 3.41Å; L11-S15 PolarHBondContact O-OG 3.42Å; M12-S15 WeakPolarHBondContact O-CB 3.47Å; M12-S15 PolarHBondContact O-N 3.27Å; S15-I17 PolarHBondContact O-N 2.92Å; S15-A18 PolarHBondContact O-N 2.84Å; S15-D19 PolarHBondContact O-N 3.11Å
16E45.5Very low46.2Very low164 Ų164114.2 Ų114.277%0.76661%0.61SS**THydrogen-bonded Turntrans-66.6-15.5176.8-164.2167.5-161.400113M12M12-E16 PolarHBondContact O-N 3.07Å
17I48.6Very low46.3Very low132 Ų132116.5 Ų116.568%0.67761%0.606SS**THydrogen-bonded Turntrans-99.1-14.3172.9-63.1170.4000111.9L13 L14 S15L13-I17 WeakPolarHBondContact O-CD1 3.39Å; L13-I17 WeakPolarHBondContact O-CG1 3.41Å; L14-I17 PolarHBondContact O-N 3.11Å; S15-I17 PolarHBondContact O-N 2.92Å
18A44.5Very low46.3Very low73 Ų73116.3 Ų116.360%0.60361%0.612SS**  trans-1047.3-173.200000114.4L14 S15 P20L14-A18 WeakPolarHBondContact O-CB 3.24Å; L14-A18 PolarHBondContact O-N 3.41Å; L14-A18 VanDerWaalsContact O-N 3.14Å; S15-A18 PolarHBondContact O-N 2.84Å; A18-P20 VanDerWaalsContact O-CD 3.25Å; A18-P20 WeakPolarHBondContact O-CD 3.35Å
19D40.5Very low46.1Very low80 Ų80114.8 Ų114.843%0.42861%0.606SS.*  trans-74.4109.5178.8-166.3-20.8000111.1S15 T21S15-D19 PolarHBondContact O-N 3.11Å; D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 3.46Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D19-T21 PolarHBondContact OD1-N 3.01Å; D19-T21 VanDerWaalsContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 2.9Å; D19-T21 PolarHBondContact OD2-OG1 3.44Å
20P45.8Very low46Very low87 Ų87114.1 Ų114.157%0.56560%0.597SS**G310 helixtrans-72.4-14.3-175.132.4-36.4000112.5A18 R22 F23 F24A18-P20 VanDerWaalsContact O-CD 3.25Å; A18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-R22 PolarHBondContact O-N 3.1Å; P20-F23 WeakPolarHBondContact O-CB 3.43Å; P20-F23 PolarHBondContact O-N 3.28Å; P20-F23 VanDerWaalsContact O-N 3.15Å; P20-F24 WeakPolarHBondContact O-CD2 3.27Å
21T45.5Very low45.8Very low91 Ų91112.6 Ų112.656%0.55860%0.598SS**G310 helixtrans-68.2-33.9-176.262.80000112.4D19 F23 F24D19-T21 VanDerWaalsContact CG-OG1 3.28Å; D19-T21 PolarHBondContact O-N 3.46Å; D19-T21 WeakPolarHBondContact OD1-CB 3.49Å; D19-T21 WeakPolarHBondContact OD1-CG2 3.33Å; D19-T21 PolarHBondContact OD1-N 3.01Å; D19-T21 VanDerWaalsContact OD1-N 3.14Å; D19-T21 PolarHBondContact OD1-OG1 2.9Å; D19-T21 PolarHBondContact OD2-OG1 3.44Å; T21-F23 PolarHBondContact O-N 3.48Å; T21-F24 PolarHBondContact O-N 2.82Å
22R44.5Very low45.5Very low204 Ų204113.2 Ų113.277%0.7760%0.599SS**G310 helixtrans-71.1-11.4173.2-77.6-161.2-178.7-153.76.7114.6P20 F24 T25P20-R22 PolarHBondContact O-N 3.1Å; R22-F24 VanDerWaalsContact C-N 3.3Å; R22-T25 PolarHBondContact O-OG1 3.46Å
23F45.7Very low45.3Very low121 Ų121111.1 Ų111.153%0.53159%0.59SS.*G310 helixtrans-77-16.6176.5-99.1-89.5000113.7P20 T21 N27P20-F23 WeakPolarHBondContact O-CB 3.43Å; P20-F23 PolarHBondContact O-N 3.28Å; P20-F23 VanDerWaalsContact O-N 3.15Å; T21-F23 PolarHBondContact O-N 3.48Å; F23-N27 PolarHBondContact O-ND2 3.27Å
24F42.5Very low45.3Very low164 Ų164113 Ų11372%0.71959%0.588SS**THydrogen-bonded Turntrans-90.4-22.5-176.8-74.8-82.7000114.6P20 T21 R22P20-F24 WeakPolarHBondContact O-CD2 3.27Å; T21-F24 PolarHBondContact O-N 2.82Å; R22-F24 VanDerWaalsContact C-N 3.3Å
25T41.4Very low45.1Very low92 Ų92114.1 Ų114.156%0.56460%0.595SS**THydrogen-bonded Turntrans-71.7-33.6179.552.10000112.9R22R22-T25 PolarHBondContact O-OG1 3.46Å
26D39.2Very low44.7Very low136 Ų136114 Ų11473%0.72759%0.594SS**SBendtrans-981.8-170.3-64.826.2000112.3
27N46.6Very low44.5Very low115 Ų115111.5 Ų111.562%0.61559%0.59SS**  trans-125.963.4171.9-70-85.9000110.4F23 L29F23-N27 PolarHBondContact O-ND2 3.27Å; N27-L29 PolarHBondContact O-N 2.92Å
28L47Very low44.3Very low154 Ų154111.6 Ų111.681%0.80659%0.592SS**  trans-74.570.6163.8-66.8178.5000110.5
29L45Very low44.1Very low89 Ų89117 Ų11747%0.46660%0.597SS.*  trans-132.6112.2146.9-77.7173.3000104.9N27 D33N27-L29 PolarHBondContact O-N 2.92Å; L29-D33 VanDerWaalsContact CA-OD2 3.25Å; L29-D33 WeakPolarHBondContact CA-OD2 3.43Å; L29-D33 HydrophobicContact CD2-CB 4.19Å
30S47Very low43.9Very low49 Ų49118 Ų11834%0.34361%0.611SS.*  trans-77.5166.3-177.283.10000110.5E32 D33S30-E32 WeakPolarHBondContact CB-OE2 3.29Å; S30-E32 PolarHBondContact O-N 3.48Å; S30-E32 PolarHBondContact OG-N 3.04Å; S30-E32 PolarHBondContact OG-OE2 3.36Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 PolarHBondContact O-N 3.2Å
31P46.6Very low43.5Very low97 Ų97117.3 Ų117.363%0.6362%0.62SS**Hα-helixtrans-54.1-35.9173.3-26.436000112.7D33 W34P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 PolarHBondContact O-N 3.04Å; P31-W34 PolarHBondContact O-N 3.35Å
32E44.8Very low43.2Very low115 Ų115119.4 Ų119.454%0.53763%0.627SS.*Hα-helixtrans-68.5-26-177.2-56.873.8-157.600113.2S30 W34 D35 S36S30-E32 WeakPolarHBondContact CB-OE2 3.29Å; S30-E32 PolarHBondContact O-N 3.48Å; S30-E32 PolarHBondContact OG-N 3.04Å; S30-E32 PolarHBondContact OG-OE2 3.36Å; E32-W34 PolarHBondContact O-N 2.89Å; E32-D35 PolarHBondContact O-N 2.92Å; E32-S36 VanDerWaalsContact O-CB 3.27Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.81Å; E32-S36 PolarHBondContact O-OG 2.82Å
33D46.5Very low42.7Very low76 Ų76117.1 Ų117.141%0.40663%0.63SS.*Hα-helixtrans-63.7-27.7177.8-75-46.5000113L29 S30 P31L29-D33 VanDerWaalsContact CA-OD2 3.25Å; L29-D33 WeakPolarHBondContact CA-OD2 3.43Å; L29-D33 HydrophobicContact CD2-CB 4.19Å; S30-D33 PolarHBondContact N-OD2 3.13Å; S30-D33 PolarHBondContact O-N 3.2Å; P31-D33 VanDerWaalsContact C-N 3.32Å; P31-D33 PolarHBondContact O-N 3.04Å
34W50.5Low42.4Very low159 Ų159120.4 Ų120.460%0.60265%0.647SS**Hα-helixtrans-79.3-33.6-177.8-71.690.8000113.2P31 E32P31-W34 PolarHBondContact O-N 3.35Å; E32-W34 PolarHBondContact O-N 2.89Å
35D41.9Very low42.1Very low126 Ų126119.2 Ų119.267%0.67465%0.653SS**Hα-helixtrans-92.2-30.7-178.5-68-28000112.2E32 T37 L38E32-D35 PolarHBondContact O-N 2.92Å; D35-T37 PolarHBondContact O-N 3.26Å; D35-T37 VanDerWaalsContact O-N 3.09Å; D35-L38 PolarHBondContact O-N 3.5Å
36S38.8Very low41.9Very low69 Ų69119.1 Ų119.148%0.48366%0.662SS.*THydrogen-bonded Turntrans-62.7-20.1-175.9-62.60000115E32 S40E32-S36 VanDerWaalsContact O-CB 3.27Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 2.81Å; E32-S36 PolarHBondContact O-OG 2.82Å; S36-S40 PolarHBondContact O-OG 2.79Å
37T41.6Very low41.7Very low112 Ų112119.8 Ų119.869%0.68766%0.66SS**THydrogen-bonded Turntrans-104.2-9-17652.90000114.3D35D35-T37 PolarHBondContact O-N 3.26Å; D35-T37 VanDerWaalsContact O-N 3.09Å
38L43.6Very low40.9Very low135 Ų135123.4 Ų123.471%0.70767%0.673SS**THydrogen-bonded Turntrans-97.7-5-175.7-74174.9000115D35D35-L38 PolarHBondContact O-N 3.5Å
39Y40.5Very low40.1Very low185 Ų185123.7 Ų123.773%0.72567%0.671SS**SBendtrans-128.9-22.6178-125.6-94.9000115.4G41 L42Y39-G41 PolarHBondContact O-N 2.87Å; Y39-L42 PolarHBondContact O-N 2.89Å
40S37.4Very low39.3Very low102 Ų102123 Ų12371%0.71368%0.678SS**THydrogen-bonded Turntrans-69.87.8-175.4-48.30000115.8S36S36-S40 PolarHBondContact O-OG 2.79Å
41G36.8Very low38.6Very low73 Ų73126.7 Ų126.775%0.75370%0.701SS**THydrogen-bonded Turntrans-121.710.9-178.300000114.8Y39Y39-G41 PolarHBondContact O-N 2.87Å
42L39.8Very low37.6Very low134 Ų134129.5 Ų129.570%0.70271%0.71SS**SBendtrans-127.84.7-178.2-78.1172.6000114.5Y39Y39-L42 PolarHBondContact O-N 2.89Å
43D33.9Very low36.7Very low156 Ų156134.1 Ų134.183%0.83473%0.728SS**SBendtrans-10820-175.8-15239.1000113.8
44E39.2Very low35.8Very low190 Ų190141.6 Ų141.689%0.88875%0.751SS**SBendtrans-123.336.5171.5-151.4179.5-141.200111.7
45V37.1Very low34.6Very low139 Ų139140 Ų14084%0.84276%0.763SS**  trans-130.347.3170.9-160.90000111.2
46A35.5Very low34Very low91 Ų91140.1 Ų140.175%0.75277%0.767SS**  trans-137.9121.9159.600000107.4
47E36Very low33.5Very low149 Ų149145.2 Ų145.270%0.69678%0.784SS**  cis-134.3143.52.3-57.3-175.988.800111.7Q49E47-Q49 PolarHBondContact OE1-NE2 3.19Å
48E29.9Very low33Very low191 Ų191147.5 Ų147.589%0.89379%0.786SS**  trans-132.6103143.1-93.9-149.413400109.3A50E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.83Å
49Q30.1Very low32.3Very low160 Ų160146.5 Ų146.575%0.74878%0.782SS**  trans-77.974.8175.8-61.6-17322.600110.9E47 P51E47-Q49 PolarHBondContact OE1-NE2 3.19Å; Q49-P51 VanDerWaalsContact O-CD 3.27Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å
50A27Very low31.7Very low76 Ų76143.6 Ų143.663%0.62878%0.783SS**  trans-72.2113.6175.900000111.6E48 L52E48-A50 VanDerWaalsContact C-N 3.29Å; E48-A50 PolarHBondContact O-N 2.83Å; A50-L52 PolarHBondContact O-N 3.31Å
51P32.2Very low31.6Very low126 Ų126143.7 Ų143.782%0.81878%0.782SS**  trans-83.3101.6-170.132.2-34.1000112.5Q49Q49-P51 VanDerWaalsContact O-CD 3.27Å; Q49-P51 WeakPolarHBondContact O-CD 3.46Å
52L25.8Very low31.2Very low155 Ų155149.1 Ų149.181%0.81279%0.785SS**  trans-111.949.6179.7-85.8173.5000115.2A50A50-L52 PolarHBondContact O-N 3.31Å
53F26.7Very low30.6Very low213 Ų213149.2 Ų149.293%0.93479%0.786SS**  trans-141.681160.1-82.3-65.7000113.7
54R27.2Very low30.4Very low233 Ų233147.3 Ų147.388%0.87979%0.785SS**  trans-144.1125142.8-169.3164.8-71.7-171.3-0.5111.6V56R54-V56 HydrophobicContact CG-CG2 4.25Å
55C25.8Very low30Very low126 Ų126145.7 Ų145.785%0.85178%0.782SS**  trans-93127.5172.5167.80000109.1
56V30.1Very low30.1Very low127 Ų127144.2 Ų144.277%0.7778%0.776SS**  trans-148120.6165.3179.90000110.9R54R54-V56 HydrophobicContact CG-CG2 4.25Å
57E27.3Very low30Very low176 Ų176147.1 Ų147.182%0.82278%0.778SS**  trans-168.3142.3151.3-97-176.1134.100103.2
58Q31.9Very low29.8Very low160 Ų160146.7 Ų146.775%0.74878%0.78SS**  cis-156.6161.87.7-109.5-157.2-65.700106.3
59D27.5Very low30.1Very low115 Ų115144 Ų14462%0.61578%0.776SS**  cis-175.1175.2-8.6-162.3-9.1000109.5
60V29.2Very low30.1Very low123 Ų123139.9 Ų139.975%0.74578%0.777SS**  trans67162.5159.6-94.90000120.5
61P35.4Very low30.6Very low105 Ų105145 Ų14568%0.68279%0.79SS**  -128.6-170.4-128.546.4-30.8000115.2
62F27.7Very low30.6Very low187 Ų187146.1 Ų146.182%0.8279%0.789SS**  trans-163125.9137.4-106.8-68.6000113.3
63D27.3Very low30.9Very low135 Ų135144.8 Ų144.872%0.72279%0.787SS**  trans41.8144.3152.1-61.8-7.5000125.9
64S30.5Very low31.4Very low116 Ų116139.6 Ų139.681%0.81178%0.777SS**  trans78.2100.4150.9-56.60000121.3
65N29.1Very low32Very low157 Ų157134.2 Ų134.284%0.8477%0.773SS**  trans-53.5155.1136.7-98.9-15.4000110.3
66P40.9Very low32.4Very low108 Ų108134.3 Ų134.370%0.70177%0.771SS**  -151.8-175.450.345.1-25.9000117.9
67L33Very low32.8Very low152 Ų152137 Ų13780%0.79678%0.776SS**  trans71.9106.7159.6-68.9168000119.7
68D32.3Very low33.5Very low140 Ų140133.3 Ų133.375%0.74977%0.767SS**  63.3148.6106.7-157.424.8000121.9
69V34.3Very low33.7Very low134 Ų134131.9 Ų131.981%0.81277%0.772SS**  trans63.5127.1173-162.40000117.8
70G30.2Very low34.6Very low74 Ų74137.3 Ų137.376%0.76378%0.784SS**  trans159.4110.3160.500000114.5
71M37.4Very low34.7Very low182 Ų182138.9 Ų138.990%0.89779%0.788SS**  trans-96156.3166.6-80178.656.400111.4
72D32.2Very low35.5Very low150 Ų150138.4 Ų138.480%0.80279%0.785SS**  trans83.4167146.6-150.613.6000119.6
73V33.1Very low35.7Very low128 Ų128136.7 Ų136.778%0.77678%0.783SS**  trans87.2115.3174.4-167.80000116.9
74S36.9Very low36.4Very low103 Ų103134.8 Ų134.872%0.7278%0.778SS**PPolyproline II helixtrans-61.2160.1174.8-56.50000114.4
75P39.1Very low36.4Very low121 Ų121136.7 Ų136.779%0.78678%0.778SS**PPolyproline II helixtrans-72.1152.3-177.130.3-37.1000113.6
76P35.6Very low36.4Very low127 Ų127138.2 Ų138.283%0.82578%0.777SS**PPolyproline II helixtrans-79.9138.2169.532.7-33.4000112
77E36.9Very low36.8Very low184 Ų184138 Ų13886%0.8678%0.776SS**PPolyproline II helixtrans-75.8156.8169-78.8-170.8112.800112.5
78P42.8Very low36.7Very low98 Ų98136.1 Ų136.164%0.63677%0.767SS**PPolyproline II helixtrans-78.7141.3-177.531.8-35.3000112.8W80P78-W80 PolarHBondContact O-N 3.32Å
79P37.1Very low36.6Very low131 Ų131136.2 Ų136.285%0.85177%0.767SS**  trans-76.8107.517630.7-33.7000111.8
80W45.4Very low36.5Very low229 Ų229136.9 Ų136.987%0.86776%0.761SS**  trans-95.6134.8147.8-6786.7000108.1P78P78-W80 PolarHBondContact O-N 3.32Å
81D31.4Very low36.4Very low156 Ų156139.5 Ų139.583%0.83476%0.762SS**  trans176.9167.7145.1-106.22.9000111.5
82P52.6Low35.9Very low94 Ų94140 Ų14061%0.6176%0.759SS**  -143.1-140.5-71.337.5-14.3000112.3
83L30.9Very low36Very low151 Ų151137.7 Ų137.779%0.79175%0.754SS**  trans91151.5163.2-53.9-172.5000116.9
84P41.8Very low35.9Very low95 Ų95139.9 Ų139.962%0.61776%0.756SS**  -142.8-173.4-88.330.5-5.2000114.2
85I30.2Very low36.6Very low157 Ų157140.2 Ų140.281%0.80576%0.756SS**  160.1124.6122.7-81.4160000110.6
86F30.7Very low36.2Very low188 Ų188139.8 Ų139.883%0.82576%0.756SS**  trans-89-163.1176.4-72.2-85.6000109.6
87P48.6Very low36Very low103 Ų103138.8 Ų138.867%0.66975%0.752SS**  cis-144.1-163.65.739.5-15.3000117.3
88D30.1Very low36.4Very low113 Ų113136.4 Ų136.460%0.60475%0.752SS**  trans80.1130.8157.4-67.5-31.6000119Q90D88-Q90 PolarHBondContact OD1-NE2 2.84Å
89L30.6Very low35.5Very low143 Ų143137.2 Ų137.275%0.74976%0.759SS**  cis-130.1134.64-69.2172.9000109.5
90Q32Very low35.1Very low148 Ų148136.4 Ų136.469%0.69276%0.756SS**  67.4136.769.2-64.9-172.954.100115.6D88D88-Q90 PolarHBondContact OD1-NE2 2.84Å
91V29.4Very low34.5Very low129 Ų129130.9 Ų130.978%0.78275%0.753SS**  cis-172.4173.6-23.599.10000110.3
92K25.9Very low34.3Very low191 Ų191129 Ų12983%0.8375%0.752SS**  trans90.3140156.7-147165.2-173171.10119.3
93S34.3Very low33.2Very low102 Ų102129.4 Ų129.471%0.71376%0.757SS**  cis-165.2162.6-30.458.80000113.4
94E32.4Very low33Very low175 Ų175129.5 Ų129.582%0.81876%0.758SS**  trans-50.4178.8162.5-109.2175.7-137.200116.7
95P51.6Low32.3Very low109 Ų109129.8 Ų129.871%0.70876%0.762SS**  cis-157.5178.744.244.6-21.9000122.5
96S30.1Very low32.2Very low112 Ų112126.8 Ų126.878%0.78376%0.755SS**  trans109.9133.7139.5-62.70000122.5
97S30.2Very low32Very low107 Ų107126 Ų12675%0.74875%0.754SS**  trans-105.1-173.6174.5-41.70000112.3
98P46.1Very low31Very low133 Ų133125.8 Ų125.886%0.86475%0.754SS**  -151-174.677.939.7-18.4000116.7
99C24.6Very low31Very low116 Ų116124.1 Ų124.178%0.78475%0.752SS**  trans-121.9175.6-170.5-39.90000113.3
100S29.2Very low31Very low113 Ų113124.8 Ų124.879%0.7975%0.751SS**  trans179.8134.7140.5-82.90000115.5
101S30.9Very low30.9Very low114 Ų114125.3 Ų125.380%0.79776%0.758SS**  trans54.7155.7136.7-56.10000121
102S28.3Very low30.9Very low117 Ų117124 Ų12482%0.81875%0.754SS**  cis-174.8168.6-0.232.90000106.4
103S28.6Very low30.9Very low102 Ų102119.6 Ų119.671%0.71375%0.753SS**  cis166.9157.8-15.7-169.20000105.9
104L28.1Very low30.5Very low153 Ų153123 Ų12380%0.80176%0.758SS**  trans78.4121.8161-61.2176.9000123.1
105S27.2Very low31.2Very low100 Ų100119.7 Ų119.770%0.69975%0.752SS**  43153.5129.266.90000123.1
106S28.1Very low30.2Very low95 Ų95118.9 Ų118.966%0.66475%0.748SS**  cis-174.2164-11.9-940000109.2
107E26.3Very low30.3Very low172 Ų172118.1 Ų118.180%0.80474%0.743SS**  trans64.5132.4161.1-70.4160.9112.800117.3
108S26.8Very low30.3Very low97 Ų97121 Ų12168%0.67875%0.745SS**  64.1133.376.2124.20000112.7
109S29.9Very low29.6Very low79 Ų79120.7 Ų120.755%0.55274%0.74SS**  cis-171.9146.828.5-103.30000115.8
110H30.3Very low31Very low156 Ų156120.9 Ų120.972%0.72274%0.74SS**  trans33.5137.9148.844.1-115.7000127.2
111L30.5Very low30.8Very low160 Ų160118.9 Ų118.984%0.83874%0.737SS**  trans70.2161.5149.2-61.1159.8000119.2
112S28.7Very low30.8Very low101 Ų101121.1 Ų121.171%0.70675%0.745SS**  cis-171154.2-35.8-97.60000112.1
113A27Very low30.9Very low98 Ų98118.9 Ų118.981%0.8174%0.741SS**  trans67.6123.3158.100000122.6
114E25.8Very low31.1Very low174 Ų174123 Ų12381%0.81375%0.749SS**  12.6169.6120.6-101.5-145103.600122.9
115P47.4Very low31.4Very low106 Ų106121 Ų12169%0.68874%0.743SS**  cis-143.9-176.511.142.8-23.3000119.2
116S28.9Very low31.8Very low92 Ų92123.8 Ų123.864%0.64375%0.749SS**  trans84.3128.7136.1-159.90000125.5
117S32.5Very low31.7Very low95 Ų95123.6 Ų123.666%0.66475%0.747SS**  trans67.4145.2138.358.40000121.9
118Q30.2Very low31.6Very low169 Ų169121.5 Ų121.579%0.7975%0.746SS**  cis-165.4143.51.4-123174.826.900114.1
119V33.2Very low31.5Very low125 Ų125124.9 Ų124.976%0.75875%0.748SS**  trans62.2151131.41370000122.5
120P53.1Low31.8Very low120 Ų120129.6 Ų129.678%0.77976%0.764SS**  cis-134.9-178.3-2440.6-23.6000115.5
121G25.9Very low31.6Very low71 Ų71129.5 Ų129.573%0.73276%0.764SS**  trans-17424.417600000124.3
122V30.9Very low31.7Very low161 Ų161127 Ų12798%0.97676%0.76SS**  trans64.2127.1165.6-175.80000119.7
123G28.6Very low31.7Very low70 Ų70130.3 Ų130.372%0.72277%0.769SS**  trans152.110916100000115.2
124E32.9Very low31.7Very low190 Ų190129.6 Ų129.689%0.88876%0.763SS**  trans-123.9159.3-171.4-83.7-166.8116.200113.9
125V35Very low32.7Very low110 Ų110126.8 Ų126.867%0.66776%0.76SS**  cis-173.5174.9-31.8113.10000110.7
126L34.8Very low32.3Very low159 Ų159127.7 Ų127.783%0.83277%0.766SS**  trans78.1135.6173.3-76.1155.2000117.4
127S26.2Very low32.3Very low90 Ų90131 Ų13163%0.62978%0.775SS**  cis-157.8132.1-479.10000110.8
128V26Very low32Very low128 Ų128131.9 Ų131.978%0.77678%0.78SS**  67.8134.492.7174.70000113.7
129K24.7Very low31.9Very low168 Ų168131.1 Ų131.173%0.7378%0.781SS**  cis-146.8164.212.3-149178.9-170.9-1650113.1E131K129-E131 WeakPolarHBondContact CE-OE2 3.38Å; K129-E131 IonicContact NZ-OE2 2.81Å; K129-E131 PolarHBondContact NZ-OE2 3.42Å
130M35.2Very low31.7Very low179 Ų179132.9 Ų132.988%0.88279%0.785SS**  trans-127.5141.4155169.5-168.8-76.100107.9
131E25.6Very low30.4Very low153 Ų153130.1 Ų130.172%0.71578%0.778SS**  trans-164.6165.7159.7-126.2169171.900113.4K129K129-E131 WeakPolarHBondContact CE-OE2 3.38Å; K129-E131 IonicContact NZ-OE2 2.81Å; K129-E131 PolarHBondContact NZ-OE2 3.42Å
132S32.4Very low30.5Very low108 Ų108134.3 Ų134.376%0.75578%0.784SS**  trans-139140.2179.71720000109
133L28.5Very low30.4Very low170 Ų170133.7 Ų133.789%0.8978%0.775SS**  trans-177.8157157.6-107.4165.3000112.7
134A28.3Very low31Very low84 Ų84135.8 Ų135.869%0.69478%0.776SS**  trans-162.9163.6164.800000108.7
135P47.4Very low30.8Very low114 Ų114131 Ų13174%0.7477%0.769SS**  cis-115.8-162.6-19.441-27.2000110.9
136P37.5Very low30.5Very low126 Ų126130.4 Ų130.482%0.81877%0.77SS**  -135.3172.1124.838.5-29.7000114.6
137L28.6Very low31Very low160 Ų160128.3 Ų128.384%0.83877%0.765SS**  trans-101.7-177.8176.9-80.8166.1000112.1
138C27Very low31.2Very low114 Ų114132.9 Ų132.977%0.7778%0.775SS**  trans90.9145.9170-59.10000117.1
139L28.9Very low31.2Very low154 Ų154134.8 Ų134.881%0.80678%0.775SS**  cis-170.5149.1-28.7-119.5170.3000109.8
140L27.8Very low31.3Very low161 Ų161131.2 Ų131.284%0.84377%0.767SS**  trans65.5126.2148.6-165.268.7000122.3
141G26.6Very low30.9Very low62 Ų62128.1 Ų128.164%0.63976%0.758SS**  trans77.7153.7150.100000118
142D26.9Very low30.8Very low159 Ų159128.3 Ų128.385%0.8576%0.759SS**  cis-157.6159.6-16.4-102.6-44.5000109.4
143D29.1Very low30.6Very low148 Ų148130.2 Ų130.279%0.79176%0.759SS**  trans-69147.7172.6-124.4-59.1000110.9
144P42.1Very low30.5Very low115 Ų115128 Ų12875%0.74775%0.753SS**  -153.6139.710037-18.4000118.1
145A28.1Very low30.8Very low88 Ų88130.7 Ų130.773%0.72776%0.761SS**  59.6125.8129.900000122.6
146S29.1Very low29.7Very low98 Ų98128.7 Ų128.769%0.68576%0.761SS**  trans-41.5155.2157.9-168.30000115.7
147P44.3Very low29.3Very low115 Ų115128.3 Ų128.375%0.74776%0.761SS**  -136.4167.999.434.7-21.7000116.7
148F30.8Very low29.4Very low187 Ų187126.7 Ų126.782%0.8276%0.757SS**  trans-52.8171.1168.5-43.8-99.1000113.4
149E26.6Very low29.7Very low168 Ų168125.2 Ų125.279%0.78575%0.753SS**  cis-163.4172.531.5-109.7-137.811200108.2
150T27.4Very low29.6Very low93 Ų93125.8 Ų125.857%0.57176%0.757SS**  cis179.6174-10.3-164.90000111.5
151V25.2Very low29.9Very low114 Ų114125.1 Ų125.169%0.69176%0.755SS**  trans62.6151.8161.4169.10000118.3
152Q23.9Very low30.9Very low157 Ų157127.1 Ų127.173%0.73476%0.756SS**  cis-168.8-176.2-35.5-86-174.41200106.7
153I29Very low31.2Very low148 Ų148124.2 Ų124.276%0.75975%0.748SS**  trans76.7144.7155.4-58-176.8000116.6
154T26.1Very low31.3Very low124 Ų124124 Ų12476%0.76175%0.747SS**  cis-167156.7-30.6-82.80000107.4
155V34.7Very low30.9Very low140 Ų140124.7 Ų124.785%0.84874%0.743SS**  trans-78.5144.1178.8176.60000113.4
156G24.6Very low30.9Very low72 Ų72128.3 Ų128.374%0.74275%0.745SS**  trans-134.2166168.300000112
157S29.4Very low30.9Very low118 Ų118129 Ų12983%0.82575%0.745SS**  trans-154.8-179.4-167.9-165.60000113.5
158V30.1Very low30Very low125 Ų125132.8 Ų132.876%0.75875%0.75SS**  trans92.193.3163.8-171.20000119.3
159A32.1Very low30.2Very low83 Ų83130.1 Ų130.169%0.68675%0.748SS**  72159.1115.900000126
160D28.2Very low30.3Very low167 Ų167129.4 Ų129.489%0.89375%0.745SS**  trans88.9144.5154.1-59.6-28.9000123.4
161D32.9Very low31.7Very low147 Ų147130.1 Ų130.179%0.78675%0.751SS**  trans-102-161.2-170.7-148.716.9000109.2
162P48Very low31.9Very low103 Ų103129.1 Ų129.167%0.66976%0.755SS**  cis-146162.88.543.6-22.2000121.1
163S34Very low32.3Very low98 Ų98126.5 Ų126.569%0.68575%0.754SS**  trans70.9158.6136-67.60000126.2
164D31.4Very low33Very low145 Ų145124.9 Ų124.978%0.77575%0.754SS**  trans75.9145.5156.2-72.9-16.3000121.2
165I33.1Very low33.1Very low128 Ų128124.1 Ų124.166%0.65675%0.753SS**  cis-157.1143.54.5-118.9159.1000112.7
166Q29.1Very low32.9Very low165 Ų165123.1 Ų123.177%0.77175%0.753SS**  trans41.7160.8152.9-52.3-178.91.500122.6
167T27.8Very low32.9Very low112 Ų112124.6 Ų124.669%0.68775%0.752SS**  cis-164.5149.620.9-230000113.4
168K26.5Very low32.9Very low195 Ų195125 Ų12585%0.84875%0.748SS**  trans53143.2147.4-104.5-177.3175.1-179.90120.4
169V33.4Very low32.7Very low130 Ų130126 Ų12679%0.78875%0.75SS**  cis-152.5160.627.1178.20000110.9
170E29.3Very low32.5Very low153 Ų153127.4 Ų127.472%0.71575%0.754SS**  trans-124.6-179.5174.8-129.5-132.7118.900110
171P56.7Low32.6Very low108 Ų108128.8 Ų128.870%0.70176%0.755SS**  cis-139.8168.58.743.4-25.8000118.5
172A28.7Very low32.3Very low94 Ų94125.5 Ų125.578%0.77775%0.749SS**  trans-175.1118.614700000112.9
173S32.6Very low31.3Very low101 Ų101125.8 Ų125.871%0.70675%0.753SS**  trans-94.5-174.1178.9-22.40000112.1
174P44.8Very low31Very low115 Ų115129.3 Ų129.375%0.74776%0.763SS**  cis-121.3147.3-0.216.78.9000114.9
175S28.5Very low30.9Very low107 Ų107130.1 Ų130.175%0.74877%0.767SS**  71.4137.178.7-45.10000114.6
176S29.1Very low30.6Very low120 Ų120130.3 Ų130.384%0.83978%0.779SS**  cis-169164.6-1.643.50000111.7
177S24.6Very low30.7Very low103 Ų103127.2 Ų127.272%0.7278%0.782SS**  trans-145.3153.7170.2580000113
178V29.2Very low30.6Very low125 Ų125129.6 Ų129.676%0.75879%0.79SS**  trans57.6131.3166-59.70000121.7
179N27.1Very low30.7Very low148 Ų148125.1 Ų125.179%0.79178%0.784SS**  21.7140.8126.5-47.9-2.3000118.3
180S28.6Very low31.2Very low111 Ų111124.1 Ų124.178%0.77678%0.78SS**  cis-162.4-161.217.6-117.80000110.8
181E28.4Very low31.2Very low196 Ų196121.9 Ų121.992%0.91678%0.782SS**  trans93.3145.9173.9-60.5-146.1117.300116.9
182A28.4Very low29.7Very low78 Ų78125.5 Ų125.565%0.64579%0.789SS**  cis-154.8168.7-8.900000113
183S26.5Very low29.6Very low109 Ų109124.7 Ų124.776%0.76278%0.783SS**  trans11.5138.8152.4-53.60000122
184L28.4Very low29.3Very low172 Ų172128.5 Ų128.590%0.90179%0.786SS**  -177.2169.6100.8-95.9173.8000113.9
185L29.2Very low28.5Very low163 Ų163130.6 Ų130.685%0.85379%0.79SS**  trans-90.1144.9-178-63166.8000113
186S26.1Very low28.5Very low131 Ų131128.9 Ų128.992%0.91679%0.789SS**  trans-168.2158.4144.6-82.90000110.3
187A30.5Very low28.5Very low100 Ų100132.4 Ų132.483%0.82679%0.793SS**  trans-123.814917800000110.4
188D25.6Very low28.7Very low162 Ų162135.5 Ų135.587%0.86680%0.796SS**  trans-163.8174.7130.9-135.9-31.8000112.6
189S29.3Very low28.9Very low101 Ų101136 Ų13671%0.70680%0.799SS**  trans-118.8-170165.8-66.30000108.5
190P43.8Very low29.1Very low110 Ų110136.1 Ų136.171%0.71480%0.798SS**  cis-137.9-160.2-0.339.5-17.8000114.4
191S28.1Very low29.1Very low106 Ų106139.8 Ų139.874%0.74180%0.803SS**  trans70.5150.7159.324.90000118.8
192Q26.6Very low29.1Very low183 Ų183136.5 Ų136.586%0.85580%0.796SS**  cis-157.5160.2-11.1-177.6165.714.600110.7
193A26.4Very low29.1Very low78 Ų78142.7 Ų142.765%0.64581%0.809SS**  trans-42.3158.5-177.800000118.3
194F25.6Very low29.4Very low180 Ų180143.2 Ų143.279%0.78981%0.808SS**  -168.6146.179.5-111.3-97.9000115.7
195I28.6Very low29.3Very low159 Ų159143.7 Ų143.782%0.81581%0.805SS**  trans36.2135.8152.3-67.5176.8000121.4
196G27.9Very low29.5Very low72 Ų72141 Ų14174%0.74280%0.8SS**  trans-178.722.6168.900000123.9
197E29.3Very low30.2Very low194 Ų194140.4 Ų140.491%0.90779%0.793SS**  trans58.2-179.5164.2-118.9171.3149.500121.3
198E29.6Very low30.3Very low168 Ų168140.9 Ų140.979%0.78579%0.79SS**  trans-76.2157.6-160.8-56.2-176.8107.100117.1
199V32.2Very low31.2Very low135 Ų135138.9 Ų138.982%0.81879%0.786SS**  -165.2150.1117.3136.30000111.5
200L31.6Very low31.9Very low150 Ų150140.2 Ų140.279%0.78579%0.793SS**  trans-63.1131.4171.4-100.766.6000112.4
201E29.1Very low31.1Very low189 Ų189138.7 Ų138.788%0.88380%0.797SS**  trans-116.5129156-79.1-150.9124.900112.1K203E201-K203 PolarHBondContact O-N 2.9Å
202V28.5Very low31Very low126 Ų126139.9 Ų139.976%0.76480%0.803SS**  trans-88103.7178.3174.90000109T204V202-T204 PolarHBondContact O-N 3.4Å; V202-T204 VanDerWaalsContact O-N 3.1Å
203K28.3Very low31.3Very low208 Ų208139.2 Ų139.290%0.90481%0.805SS**  trans-81.585.7179.4-167.4174.3-175.8177.50111.4E201E201-K203 PolarHBondContact O-N 2.9Å
204T31.6Very low31.3Very low121 Ų121141.2 Ų141.274%0.74280%0.804SS**  trans-75.3139.3171-55.60000111.1V202V202-T204 PolarHBondContact O-N 3.4Å; V202-T204 VanDerWaalsContact O-N 3.1Å
205E27.6Very low31.5Very low181 Ų181142.2 Ų142.285%0.84680%0.803SS**  trans-72.1156.4-175.8-165.9-178.8118.400114
206S32.8Very low31.3Very low107 Ų107141 Ų14175%0.74880%0.798SS**  trans-148.6154.1169.668.10000111.1
207P41.2Very low31.4Very low118 Ų118143.1 Ų143.177%0.76680%0.796SS**  trans-101.3165.2-139.137.8-38.6000117.4
208S32.3Very low31.6Very low111 Ų111140.1 Ų140.178%0.77679%0.793SS**  trans-71.1149.4169.756.40000114.7
209P44.3Very low31.6Very low119 Ų119136.1 Ų136.177%0.77379%0.79SS**  trans-130.9-168.414547.4-34.8000109.8
210P43.8Very low32Very low130 Ų130135.7 Ų135.784%0.84479%0.79SS**  -134.4-176.9-115.834.6-10.8000116
211G27.7Very low31.9Very low78 Ų78134.3 Ų134.380%0.80479%0.792SS**  trans122.7133.8154.700000115.7
212C26.3Very low31.9Very low130 Ų130133.9 Ų133.988%0.87880%0.795SS**  trans-92.5154.5172.1-50.70000110.6
213L32.4Very low31.9Very low170 Ų170131.5 Ų131.589%0.8980%0.796SS**  -163.8154.4125.8-105.8178000113.1
214L27Very low31.8Very low119 Ų119126.6 Ų126.662%0.62379%0.794SS**  trans-48.5138.2174.6-173.865000113.2
215W28.9Very low31.6Very low201 Ų201126.8 Ų126.876%0.76180%0.795SS**  -173.6155.392.6-94.5106.9000115.7
216D25.3Very low31.5Very low133 Ų133127.5 Ų127.571%0.71180%0.798SS**  trans72.3155.1148.6-78.4-44.5000124.8
217V29.9Very low31.5Very low117 Ų117129.4 Ų129.471%0.70980%0.799SS**  trans-132.8144.1-165.6172.80000109.6
218P32.8Very low30.7Very low131 Ų131129 Ų12985%0.85180%0.798SS**  trans-123.6145131.7-2.323.2000113.4
219A29.6Very low30.5Very low85 Ų85132.3 Ų132.370%0.70280%0.804SS**  trans-96.6179176.700000111.2
220P40.3Very low29.7Very low126 Ų126130.1 Ų130.182%0.81880%0.803SS**PPolyproline II helixtrans-97166.9-145.838.2-39.3000116.2
221S29.7Very low29.6Very low120 Ų120130.2 Ų130.284%0.83980%0.804SS**PPolyproline II helixtrans-97.7127.8167.846.90000112.6
222L29.9Very low29.8Very low181 Ų181131.5 Ų131.595%0.94880%0.8SS**PPolyproline II helixtrans-84.5142.8166.3-71.9162.5000109.5
223G27.5Very low30.8Very low75 Ų75130.8 Ų130.877%0.77379%0.794SS**  trans-152.523.9-160.500000120.5
224A26.9Very low30.6Very low106 Ų106129 Ų12988%0.87679%0.79SS**  trans60.4158.516200000120.8
225V27.9Very low30.6Very low125 Ų125128.5 Ų128.576%0.75880%0.796SS**  trans-102.3148178.9169.50000110.4I227V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 HydrophobicContact CG1-CG1 4.1Å
226Q26.2Very low30.8Very low196 Ų196123.9 Ų123.992%0.91680%0.795SS**  trans-141.7152154.8-121.7-177.115.100112.6
227I31.2Very low31.1Very low147 Ų147123.2 Ų123.275%0.75480%0.8SS**  trans-132.6129.5-172.9-60.2171.3000109.7V225V225-I227 HydrophobicContact CG1-CD1 4.44Å; V225-I227 HydrophobicContact CG1-CG1 4.1Å
228S26.1Very low31Very low108 Ų108121 Ų12176%0.75580%0.801SS**  trans-164.6119.3155.9-86.60000108.7
229M27.8Very low30.9Very low181 Ų181125 Ų12589%0.89281%0.805SS**  78.5124.982-67.3-83.1-90.300112.7
230G26.3Very low30.7Very low74 Ų74125.1 Ų125.176%0.76381%0.806SS**  trans-83-160.3-177.400000114.2
231P42.5Very low30.8Very low132 Ų132124.8 Ų124.886%0.85780%0.804SS**  cis-140.1-17645.841.2-23.3000116.5
232S31.8Very low30.9Very low105 Ų105123 Ų12373%0.73480%0.796SS**  trans-85.9162.1167.1178.80000111.6
233P47.1Very low30.9Very low115 Ų115120.7 Ų120.775%0.74779%0.79SS**  -143.9136.8119.435.9-21.6000117.2
234V28Very low31.1Very low132 Ų132127.9 Ų127.980%0.879%0.794SS**  trans47.9116.9130.1-174.80000120.3
235S27.7Very low31.3Very low108 Ų108132.4 Ų132.476%0.75579%0.794SS**  -175.2154.1113.6-164.90000114.3
236S32.5Very low32.3Very low105 Ų105131.7 Ų131.773%0.73479%0.791SS**  trans-48.8177.5172.168.60000117.2
237S31.4Very low33.1Very low118 Ų118127.8 Ų127.883%0.82578%0.783SS**  cis-153.7160.413.9-1660000111.5
238G28.6Very low33.1Very low70 Ų70128.4 Ų128.472%0.72279%0.787SS**  trans-111.3156.6-175.500000115.5
239K29.5Very low33.6Very low216 Ų216130.5 Ų130.594%0.93979%0.785SS**  trans-158.4148.4163.8-137.5171.6-174.9176.70113.7
240A27.1Very low34.1Very low88 Ų88128.1 Ų128.173%0.72778%0.783SS**  trans-149.5-176.1172.100000107.2
241P41.6Very low34.2Very low119 Ų119132.9 Ų132.977%0.77378%0.783SS**  cis-143.4-176.51.744.2-25.8000117.3
242A30.8Very low33.9Very low82 Ų82132.5 Ų132.568%0.67878%0.781SS**  trans87.2150.8136.800000124.6
243T29.8Very low33.7Very low132 Ų132134.1 Ų134.181%0.8179%0.785SS**  trans80.7143.7169.274.10000117.2
244R31.6Very low32.8Very low227 Ų227134.4 Ų134.486%0.85779%0.785SS**  cis-159.71186.6-132.5169.9-169.9-164.15.2113.9
245K32.5Very low32.9Very low200 Ų200136.2 Ų136.287%0.8779%0.789SS**  trans46.8156.9149.9-73-171.3176.2-175.30124.8
246P48Very low33Very low110 Ų110137.1 Ų137.171%0.71479%0.79SS**  trans-107.1-171.4-17445.5-37000113.8
247P42.7Very low32.9Very low114 Ų114137.5 Ų137.574%0.7479%0.788SS**  -131.8-15686.820.34.2000111.9
248L31.2Very low32.7Very low161 Ų161138.7 Ų138.784%0.84379%0.79SS**  cis-149.9-168.521-89.7173.7000111.7
249Q37.8Very low32.6Very low152 Ų152142.8 Ų142.871%0.7179%0.791SS**  trans-138176.3165.2-71.4-171.6-18.600110.2
250P37.6Very low32.6Very low131 Ų131138 Ų13885%0.85178%0.779SS**  -133.5170.3116.938.6-31.1000115.3
251K29.7Very low33.2Very low173 Ų173139 Ų13975%0.75278%0.779SS**  trans-118.2163.6176.7-95.7179.8178.51760110.7
252P34.3Very low33.3Very low125 Ų125138.9 Ų138.981%0.81278%0.777SS**PPolyproline II helixtrans-72.3156.5-175.730.5-36.8000113.7
253V29.5Very low33.1Very low138 Ų138146.8 Ų146.884%0.83679%0.79SS**PPolyproline II helixtrans-97.3143.6176.2174.30000110.5
254V27.7Very low33.1Very low122 Ų122145.5 Ų145.574%0.73979%0.793SS**PPolyproline II helixtrans-97.4143.1175.6175.60000109.9
255L29.8Very low33.1Very low170 Ų170138 Ų13889%0.8979%0.786SS**  trans-125152.4158.4-83.1175.8000110.9
256T30.2Very low34.1Very low126 Ų126134.2 Ų134.277%0.77378%0.782SS**  trans-104158.9-154.4-53.90000112.9
257T29Very low33.8Very low113 Ų113135.1 Ų135.169%0.69379%0.788SS**  trans-80.7154.8-177.255.50000113.8
258V29Very low33.3Very low143 Ų143134.8 Ų134.887%0.86779%0.788SS**  trans-140.1153162.2-177.30000108.5
259Q24.8Very low33.6Very low157 Ų157133.9 Ų133.973%0.73479%0.79SS**  trans-163.9163.4-162.3-116.3-179.6112.200111.3
260V30.8Very low33.3Very low115 Ų115132.4 Ų132.470%0.69779%0.791SS**  cis-136.9-59.15.7-162.80000115.9
261P38.8Very low33Very low110 Ų110132.7 Ų132.771%0.71479%0.79SS**  trans-129.8-161.7-134.348-31.7000115.1
262P44.8Very low33Very low115 Ų115131.6 Ų131.675%0.74779%0.792SS**  -141.4-177.4-97.142.9-21.9000117.3
263R25.8Very low32.9Very low248 Ų248134 Ų13494%0.93680%0.797SS**  trans69.6110.9143.5-171-174.8-170.8165.53.8120.8
264A29.9Very low33Very low106 Ų106135.6 Ų135.688%0.87680%0.795SS**  trans-155.2167.3144.400000111.2
265G32.3Very low33.2Very low69 Ų69135.7 Ų135.771%0.71180%0.798SS**  trans-111.3-170.5-173.900000115.8
266P51.7Low33.2Very low121 Ų121134.9 Ų134.979%0.78679%0.794SS**  trans-89.9178.9-165.539.2-39.4000114.4
267P43Very low33.2Very low129 Ų129134.9 Ų134.984%0.83879%0.794SS**  -138.5174.410040.1-29.1000115.3
268S32.4Very low33.3Very low106 Ų106137.7 Ų137.774%0.74180%0.799SS**  trans-91.6157.6-173.7-42.30000114.5
269T37Very low33.4Very low143 Ų143139 Ų13988%0.87780%0.796SS**  trans-143.7146.7153.2-430000110.4
270T31Very low33.8Very low120 Ų120137.9 Ų137.974%0.73680%0.801SS**  trans-126.8130.6-173.3-54.70000111.4
271V31Very low33.7Very low138 Ų138137.4 Ų137.484%0.83681%0.81SS**  trans-144.1142162.5-172.10000108.9
272L30.8Very low33.4Very low150 Ų150139.2 Ų139.279%0.78582%0.818SS**  trans-80.9164.8176.6-65.878.4000111.5
273L30.8Very low32.7Very low176 Ų176139.1 Ų139.192%0.92182%0.82SS**  -165.1172.3122-103.9163.4000111.5
274Q32Very low33.6Very low171 Ų171132.6 Ų132.680%0.79981%0.81SS**  trans-117149.7-152.9-155.3163.818.900111.9L276Q274-L276 PolarHBondContact O-N 2.87Å
275P33.2Very low33.4Very low123 Ų123134.1 Ų134.180%0.79981%0.808SS**  trans-72.2126.1-179.928.3-34.8000111.9
276L29.6Very low33.4Very low154 Ų154136.7 Ų136.781%0.80681%0.81SS**  trans-91.2111.5-179.3-177.162000111.5Q274Q274-L276 PolarHBondContact O-N 2.87Å
277V29.1Very low32.3Very low126 Ų126138 Ų13876%0.76481%0.809SS**  trans-90.6140.2162.61750000108.3
278Q31Very low31.9Very low172 Ų172139.2 Ų139.280%0.80481%0.807SS**  trans-135.1125.3177-164.8167.241.900111.5
279Q30.5Very low32Very low171 Ų171142.7 Ų142.780%0.79981%0.812SS**  trans-117.8147.3170.2-70-178.1-20.600109.4
280P33.3Very low31.8Very low132 Ų132139.8 Ų139.886%0.85781%0.811SS**PPolyproline II helixtrans-78.4156.6165.9-927.1000112
281A29.3Very low31.8Very low105 Ų105138.8 Ų138.887%0.86881%0.814SS**PPolyproline II helixtrans-96.3170.9-174.100000114.6
282V33Very low31.8Very low148 Ų148141 Ų14190%0.89782%0.82SS**PPolyproline II helixtrans-99.2161.5-176.1-67.20000114
283S30.5Very low31.9Very low113 Ų113144.6 Ų144.679%0.7982%0.823SS**  trans-142.5142.3164-176.30000110
284P44.6Very low31.9Very low112 Ų112142.3 Ų142.373%0.72782%0.816SS**  trans-102.8-162.3-171.140.2-35.8000114.4
285V26.4Very low31.8Very low137 Ų137142.6 Ų142.683%0.8382%0.817SS**  trans88.6127.7175-177.40000114.3
286V31.2Very low32.7Very low123 Ų123141.6 Ų141.675%0.74581%0.811SS**  cis-150.7162.8-11.91110000110I288V286-I288 HydrophobicContact CG1-CG1 4.33Å
287L28.6Very low32.7Very low148 Ų148144 Ų14478%0.77582%0.818SS**  trans-103.6138.2177.9-172.3135.1000112.1Q289L287-Q289 HydrophobicContact CD2-CG 4.26Å
288I35.5Very low32.8Very low155 Ų155141.4 Ų141.480%0.79582%0.816SS**  trans-130.1135.9171.2-64.6-178.7000109.2V286V286-I288 HydrophobicContact CG1-CG1 4.33Å
289Q33.7Very low33.6Very low180 Ų180139.6 Ų139.684%0.84182%0.819SS**  trans-90.7152.7177.2-62.3176.7-1.500111.4L287L287-Q289 HydrophobicContact CD2-CG 4.26Å
290G32.8Very low33.8Very low82 Ų82135.7 Ų135.785%0.84582%0.816SS**  trans-172.89617200000112.6
291A31.2Very low34.4Very low99 Ų99135.5 Ų135.582%0.81882%0.816SS**  trans-100.2145.3170.900000110.5
292I31.9Very low34.5Very low185 Ų185134.9 Ų134.995%0.94981%0.81SS**  trans-164.6170.9155-104.2151.1000109
293R31.4Very low34.9Very low225 Ų225134 Ų13485%0.84981%0.805SS**  trans-134.8168.9-150.1-176.3-164.4174.7-166.60.9111.2
294V31.8Very low35.2Very low128 Ų128134.6 Ų134.678%0.77681%0.806SS**  trans97.5147160.2-167.10000116.3
295Q29.3Very low34.7Very low176 Ų176140.2 Ų140.282%0.82281%0.813SS**  trans-94.9-145.2178-67.7-162.694.600111.3
296P52.9Low35.4Very low103 Ų103139.7 Ų139.767%0.66981%0.812SS**  -123.5166.5-83.233.8-18.4000114
297E29.1Very low35.6Very low204 Ų204141.3 Ų141.395%0.95381%0.812SS**  trans-172.4170.9137.7-108.9-18010800111.8
298G31.6Very low36.5Very low71 Ų71146 Ų14673%0.73282%0.819SS**  trans-105.4-153-177.600000114
299P46.8Very low36.8Very low134 Ų134147 Ų14787%0.8782%0.817SS**  cis-127.5-1750.142-26.3000114.7
300A34.3Very low37Very low89 Ų89143.3 Ų143.374%0.73681%0.812SS**  trans-82.8165.1175.600000113
301P46.2Very low37.2Very low129 Ų129146.9 Ų146.984%0.83881%0.81SS**  -128.2-16475.642.4-31.6000111.6
302A31.3Very low38Very low92 Ų92148 Ų14876%0.7681%0.806SS**  cis-153.8177.78.500000111.9
303V42Very low38.4Very low128 Ų128144.9 Ų144.978%0.77680%0.798SS**  trans-143140.9175.4174.20000111.5
304P37.4Very low38.5Very low126 Ų126138.4 Ų138.482%0.81879%0.793SS**  trans-115.5151.1146.3-0.321.7000113.1
305R33Very low40Very low230 Ų230137.5 Ų137.587%0.86879%0.79SS**PPolyproline II helixtrans-92.3160.5176.5-78.5177.3172.8165-3112
306P42.6Very low40.9Very low126 Ų126136.7 Ų136.782%0.81879%0.79SS**PPolyproline II helixtrans-82.3149.2-179.933.2-36000113.9
307E34.9Very low40.6Very low157 Ų157137.4 Ų137.473%0.73480%0.795SS**PPolyproline II helixtrans-99.7149.3166.3-71.3-161151.100112.3K309E307-K309 WeakPolarHBondContact OE2-CE 3.27Å; E307-K309 IonicContact OE2-NZ 2.69Å; E307-K309 PolarHBondContact OE2-NZ 2.93Å
308R47.6Very low41.3Very low248 Ų248131.1 Ų131.194%0.93679%0.785SS**PPolyproline II helixtrans-99.5137.9171.4-65.5173.8173.2167.9-4110.4
309K40.9Very low41.6Very low174 Ų174135.7 Ų135.776%0.75779%0.792SS**  trans-136.5134.1165.8-62.6-178.4-177.2162.60109.3E307E307-K309 WeakPolarHBondContact OE2-CE 3.27Å; E307-K309 IonicContact OE2-NZ 2.69Å; E307-K309 PolarHBondContact OE2-NZ 2.93Å
310S38.2Very low41.8Very low104 Ų104134.8 Ų134.873%0.72779%0.789SS**  trans-105.8137.8-176.41780000110.4
311I37Very low42.8Very low156 Ų156136.2 Ų136.280%0.879%0.792SS**  trans-144140.6158.2-79.3105000107.6
312V47.8Very low43.3Very low122 Ų122134.8 Ų134.874%0.73978%0.783SS**  trans-105.8141.7175.9176.70000109.6
313P40.9Very low44.6Very low121 Ų121134.9 Ų134.979%0.78678%0.776SS**  trans-135.8161.2140.535.8-23000113.8
314A33.9Very low45.4Very low89 Ų89134.7 Ų134.774%0.73677%0.767SS**  trans-150.2170.7176.400000108.2
315P62Low47Very low109 Ų109133.5 Ų133.571%0.70876%0.757SS**  cis-129.6-168.3-24.130.6-9.5000112.5
316L48Very low49.3Very low158 Ų158127.1 Ų127.183%0.82774%0.74SS**  trans75.6157.2162-58.7171000118.2
317P47.9Very low51.3Low119 Ų119123 Ų12377%0.77372%0.717SS**  cis-132.5165.4-30.234.3-17.8000114.7
318G42.7Very low53.9Low72 Ų72121.3 Ų121.374%0.74271%0.707SS**  trans86.976.6142.300000119.6
319N39.4Very low56Low167 Ų167114.1 Ų114.189%0.89369%0.686SS**  trans-159.884.3138.1-117-5.9000110.7C321N319-C321 PolarHBondContact O-N 3.41Å
320S49.8Very low58.5Low114 Ų114111 Ų11180%0.79768%0.678SS**  trans-89.991.1-168.854.10000113.4
321C56.4Low61.2Low119 Ų119112.9 Ų112.980%0.80467%0.673SS**  trans-159.649.7157.4-123.10000117.8N319N319-C321 PolarHBondContact O-N 3.41Å
322P55.4Low63.9Low100 Ų100113.2 Ų113.265%0.64966%0.664SS**  trans-129.860.8-178.842.2-23.3000116.4
323P58.6Low66.2Low94 Ų94112.2 Ų112.261%0.6165%0.651SS**SBendtrans-133.6-26.5154.437.8-28.9000115A327P323-A327 WeakPolarHBondContact O-CB 3.4Å; P323-A327 PolarHBondContact O-N 3.02Å
324E59.8Low68.8Low123 Ų123111.8 Ų111.858%0.57564%0.639SS**Hα-helixtrans-78.3-30.2-168.7-151.3-158.6148.700112.8K328E324-K328 VanDerWaalsContact CD-NZ 3.27Å; E324-K328 WeakPolarHBondContact O-CD 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.23Å; E324-K328 WeakPolarHBondContact O-CG 3.07Å; E324-K328 PolarHBondContact O-N 3.15Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.99Å; E324-K328 PolarHBondContact OE1-NZ 2.88Å; E324-K328 IonicContact OE2-NZ 2.57Å
325V71.2Confident71.8Confident102 Ų102116.9 Ų116.962%0.61864%0.639SS**Hα-helixtrans-70.9-45.4176.8-179.80000110.4K328 L329V325-K328 CarbonylContact O-C 3.58Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 WeakPolarHBondContact O-CB 3.34Å; V325-K328 PolarHBondContact O-N 3.42Å; V325-K328 VanDerWaalsContact O-N 3.08Å; V325-L329 PolarHBondContact O-N 3.45Å
326D79.9Confident73.4Confident96 Ų96116.7 Ų116.751%0.51363%0.63SS.*Hα-helixtrans-67.2-38177.4-61.3-39.4000111.6K328 L329 L330D326-K328 VanDerWaalsContact C-N 3.26Å; D326-K328 PolarHBondContact O-N 3.34Å; D326-L329 PolarHBondContact O-N 2.78Å; D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 2.97Å
327A84.3Confident75.7Confident40 Ų40112.4 Ų112.433%0.33161%0.607SS.*Hα-helixtrans-60.5-34170.900000112.7P323 K331P323-A327 WeakPolarHBondContact O-CB 3.4Å; P323-A327 PolarHBondContact O-N 3.02Å; A327-K331 VanDerWaalsContact O-CB 3.3Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 VanDerWaalsContact O-CD 3.32Å; A327-K331 WeakPolarHBondContact O-CD 3.37Å; A327-K331 WeakPolarHBondContact O-CG 3.3Å; A327-K331 PolarHBondContact O-N 2.78Å
328K90.1Very high78.1Confident120 Ų120113.7 Ų113.752%0.52260%0.6SS.*Hα-helixtrans-74.1-39.9173.6-72.6164.1-173.1170.70111.7E324 V325 D326 R332E324-K328 VanDerWaalsContact CD-NZ 3.27Å; E324-K328 WeakPolarHBondContact O-CD 3.43Å; E324-K328 VanDerWaalsContact O-CG 3.23Å; E324-K328 WeakPolarHBondContact O-CG 3.07Å; E324-K328 PolarHBondContact O-N 3.15Å; E324-K328 VanDerWaalsContact O-N 3.11Å; E324-K328 WeakPolarHBondContact OE1-CE 3.32Å; E324-K328 IonicContact OE1-NZ 3.99Å; E324-K328 PolarHBondContact OE1-NZ 2.88Å; E324-K328 IonicContact OE2-NZ 2.57Å; V325-K328 CarbonylContact O-C 3.58Å; V325-K328 WeakPolarHBondContact O-CA 3.45Å; V325-K328 WeakPolarHBondContact O-CB 3.34Å; V325-K328 PolarHBondContact O-N 3.42Å; V325-K328 VanDerWaalsContact O-N 3.08Å; D326-K328 VanDerWaalsContact C-N 3.26Å; D326-K328 PolarHBondContact O-N 3.34Å; K328-R332 WeakPolarHBondContact O-CB 3.48Å; K328-R332 PolarHBondContact O-N 2.89Å
329L91.3Very high80.7Confident97 Ų97115.5 Ų115.551%0.50859%0.593SS.*Hα-helixtrans-65.9-47.3177.3-178.757.5000111.7V325 D326 K331 R332 Q333V325-L329 PolarHBondContact O-N 3.45Å; D326-L329 PolarHBondContact O-N 2.78Å; L329-K331 PolarHBondContact O-N 2.91Å; L329-R332 CarbonylContact O-C 3.56Å; L329-R332 WeakPolarHBondContact O-CA 3.36Å; L329-R332 WeakPolarHBondContact O-CB 3.3Å; L329-R332 PolarHBondContact O-N 3.18Å; L329-Q333 PolarHBondContact O-N 2.89Å
330L93.6Very high83.5Confident109 Ų109115 Ų11557%0.57158%0.579SS**Hα-helixtrans-62.4-41.9176.3-172.965.7000111.4D326 R332 Q333 Q334D326-L330 VanDerWaalsContact O-CB 3.28Å; D326-L330 WeakPolarHBondContact O-CB 3.49Å; D326-L330 PolarHBondContact O-N 2.97Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.34Å; L330-Q333 PolarHBondContact O-N 3.2Å; L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 2.82Å
331K94.6Very high85.7Confident144 Ų144114.2 Ų114.263%0.62656%0.562SS**Hα-helixtrans-62.2-34.8171.9-76.2171.2-175.1176.60112.4A327 L329 R335A327-K331 VanDerWaalsContact O-CB 3.3Å; A327-K331 WeakPolarHBondContact O-CB 3.32Å; A327-K331 VanDerWaalsContact O-CD 3.32Å; A327-K331 WeakPolarHBondContact O-CD 3.37Å; A327-K331 WeakPolarHBondContact O-CG 3.3Å; A327-K331 PolarHBondContact O-N 2.78Å; L329-K331 PolarHBondContact O-N 2.91Å; K331-R335 VanDerWaalsContact O-CG 3.31Å; K331-R335 WeakPolarHBondContact O-CG 3.41Å; K331-R335 PolarHBondContact O-N 3.05Å; K331-R335 VanDerWaalsContact O-N 3.14Å
332R94.4Very high87.7Confident163 Ų163111.2 Ų111.262%0.61554%0.543SS*.Hα-helixtrans-68.4-43.2172.8-173.4-176.3177.9-153.9-0.6111.3K328 L329 L330 R335 M336K328-R332 WeakPolarHBondContact O-CB 3.48Å; K328-R332 PolarHBondContact O-N 2.89Å; L329-R332 CarbonylContact O-C 3.56Å; L329-R332 WeakPolarHBondContact O-CA 3.36Å; L329-R332 WeakPolarHBondContact O-CB 3.3Å; L329-R332 PolarHBondContact O-N 3.18Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.34Å; R332-R335 WeakPolarHBondContact O-CB 3.35Å; R332-R335 PolarHBondContact O-N 2.69Å; R332-M336 HydrophobicContact CG-CE 4.38Å; R332-M336 WeakPolarHBondContact O-CG 3.14Å; R332-M336 PolarHBondContact O-N 3.25Å
333Q95.4Very high89.6Confident100 Ų100108.3 Ų108.347%0.46753%0.527SS..Hα-helixtrans-61.7-47176.4-167.9177.611.400111.4L329 L330 R335 M336 I337L329-Q333 PolarHBondContact O-N 2.89Å; L330-Q333 PolarHBondContact O-N 3.2Å; Q333-R335 VanDerWaalsContact C-N 3.28Å; Q333-R335 PolarHBondContact O-N 3.06Å; Q333-M336 PolarHBondContact O-N 3.33Å; Q333-I337 HydrophobicContact CG-CD1 4.09Å; Q333-I337 WeakPolarHBondContact O-CG1 3.32Å; Q333-I337 PolarHBondContact O-N 3.21Å
334Q96.1Very high91.5Very high112 Ų112107.2 Ų107.252%0.52352%0.521SS..Hα-helixtrans-59.4-37.6175.4-16863.741.900112.4L330 K338L330-Q334 WeakPolarHBondContact O-CB 3.21Å; L330-Q334 PolarHBondContact O-N 2.82Å; Q334-K338 WeakPolarHBondContact O-CB 3.39Å; Q334-K338 PolarHBondContact O-N 2.92Å
335R96.4Very high93.3Very high197 Ų197107 Ų10774%0.74352%0.52SS*.Hα-helixtrans-65.9-40.2173-75.9174.5179.6-167.2-0.4112.2K331 R332 Q333 N339K331-R335 VanDerWaalsContact O-CG 3.31Å; K331-R335 WeakPolarHBondContact O-CG 3.41Å; K331-R335 PolarHBondContact O-N 3.05Å; K331-R335 VanDerWaalsContact O-N 3.14Å; R332-R335 WeakPolarHBondContact O-CB 3.35Å; R332-R335 PolarHBondContact O-N 2.69Å; Q333-R335 VanDerWaalsContact C-N 3.28Å; Q333-R335 PolarHBondContact O-N 3.06Å; R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 2.91Å
336M96.9Very high94.6Very high104 Ų104105.8 Ų105.851%0.51252%0.516SS..Hα-helixtrans-67.5-40.3176.6-67.8-175.1-59.100112R332 Q333 R340R332-M336 HydrophobicContact CG-CE 4.38Å; R332-M336 WeakPolarHBondContact O-CG 3.14Å; R332-M336 PolarHBondContact O-N 3.25Å; Q333-M336 PolarHBondContact O-N 3.33Å; M336-R340 WeakPolarHBondContact O-CB 3.27Å; M336-R340 PolarHBondContact O-N 2.85Å
337I95.7Very high95.4Very high68 Ų68110.5 Ų110.535%0.34953%0.527SS..Hα-helixtrans-62-56.3174-67.7166.5000110.1Q333 N339 R340 E341Q333-I337 HydrophobicContact CG-CD1 4.09Å; Q333-I337 WeakPolarHBondContact O-CG1 3.32Å; Q333-I337 PolarHBondContact O-N 3.21Å; I337-N339 VanDerWaalsContact C-N 3.26Å; I337-N339 PolarHBondContact O-N 3.09Å; I337-R340 WeakPolarHBondContact O-CB 3.24Å; I337-R340 PolarHBondContact O-N 3.47Å; I337-R340 VanDerWaalsContact O-N 3.07Å; I337-E341 HydrophobicContact CG2-CG 4.43Å; I337-E341 VanDerWaalsContact CG2-OE1 3.26Å; I337-E341 WeakPolarHBondContact CG2-OE1 3.36Å; I337-E341 WeakPolarHBondContact O-CG 3.39Å; I337-E341 PolarHBondContact O-N 3.25Å
338K97.8Very high96.1Very high146 Ų146116.6 Ų116.664%0.63554%0.541SS*.Hα-helixtrans-59.4-35.6179.1-174172.4-178.8175.20112.8Q334 S342Q334-K338 WeakPolarHBondContact O-CB 3.39Å; Q334-K338 PolarHBondContact O-N 2.92Å; K338-S342 WeakPolarHBondContact O-CB 3.23Å; K338-S342 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-OG 3.46Å
339N97.5Very high96.5Very high110 Ų110117.6 Ų117.659%0.58855%0.545SS*.Hα-helixtrans-66.5-47.5174.4-177.2-101.7000111.6R335 I337 E341 S342 A343R335-N339 WeakPolarHBondContact O-CB 3.32Å; R335-N339 PolarHBondContact O-N 2.91Å; I337-N339 VanDerWaalsContact C-N 3.26Å; I337-N339 PolarHBondContact O-N 3.09Å; N339-E341 PolarHBondContact O-N 3.3Å; N339-S342 WeakPolarHBondContact CA-OG 3.4Å; N339-S342 PolarHBondContact O-N 3.28Å; N339-S342 PolarHBondContact O-OG 2.86Å; N339-A343 WeakPolarHBondContact O-CB 3.44Å; N339-A343 PolarHBondContact O-N 3.32Å
340R97.9Very high96.8Very high157 Ų157119.6 Ų119.659%0.59255%0.55SS*.Hα-helixtrans-57.2-46.9175.4-176.3176.3-178.2148.22.4111.8M336 I337 A343 C344M336-R340 WeakPolarHBondContact O-CB 3.27Å; M336-R340 PolarHBondContact O-N 2.85Å; I337-R340 WeakPolarHBondContact O-CB 3.24Å; I337-R340 PolarHBondContact O-N 3.47Å; I337-R340 VanDerWaalsContact O-N 3.07Å; R340-A343 PolarHBondContact O-N 3.25Å; R340-C344 PolarHBondContact O-N 2.86Å; R340-C344 PolarHBondContact O-SG 2.93Å; R340-C344 VanDerWaalsContact O-SG 3.36Å
341E96.9Very high97Very high98 Ų98119.4 Ų119.446%0.45855%0.545SS..Hα-helixtrans-57.7-50.6174-70.1166174.400111.6I337 N339 A343 C344 Q345I337-E341 HydrophobicContact CG2-CG 4.43Å; I337-E341 VanDerWaalsContact CG2-OE1 3.26Å; I337-E341 WeakPolarHBondContact CG2-OE1 3.36Å; I337-E341 WeakPolarHBondContact O-CG 3.39Å; I337-E341 PolarHBondContact O-N 3.25Å; N339-E341 PolarHBondContact O-N 3.3Å; E341-A343 VanDerWaalsContact C-N 3.31Å; E341-A343 PolarHBondContact O-N 3.47Å; E341-C344 PolarHBondContact O-N 3.1Å; E341-Q345 WeakPolarHBondContact O-CB 3.33Å; E341-Q345 WeakPolarHBondContact O-CG 3.4Å; E341-Q345 PolarHBondContact O-N 3.43Å
342S97.2Very high97.2Very high56 Ų56116.7 Ų116.739%0.39253%0.534SS..Hα-helixtrans-63.1-35.1179.971.60000113K338 N339 S346K338-S342 WeakPolarHBondContact O-CB 3.23Å; K338-S342 PolarHBondContact O-N 3.38Å; K338-S342 PolarHBondContact O-OG 3.46Å; N339-S342 WeakPolarHBondContact CA-OG 3.4Å; N339-S342 PolarHBondContact O-N 3.28Å; N339-S342 PolarHBondContact O-OG 2.86Å; S342-S346 VanDerWaalsContact O-CB 3.25Å; S342-S346 WeakPolarHBondContact O-CB 3.29Å; S342-S346 PolarHBondContact O-N 2.82Å
343A97Very high97.4Very high39 Ų39116.2 Ų116.232%0.32253%0.534SS..Hα-helixtrans-69.6-42.1175.700000111.5N339 R340 E341 S346 R347N339-A343 WeakPolarHBondContact O-CB 3.44Å; N339-A343 PolarHBondContact O-N 3.32Å; R340-A343 PolarHBondContact O-N 3.25Å; E341-A343 VanDerWaalsContact C-N 3.31Å; E341-A343 PolarHBondContact O-N 3.47Å; A343-S346 PolarHBondContact O-N 2.89Å; A343-R347 VanDerWaalsContact O-CG 3.3Å; A343-R347 WeakPolarHBondContact O-CG 3.17Å; A343-R347 PolarHBondContact O-N 2.79Å
344C97.8Very high97.5Very high71 Ų71115 Ų11548%0.4853%0.53SS..Hα-helixtrans-64.1-44.4173.5-70.10000111.8R340 E341 S346 R347 R348R340-C344 PolarHBondContact O-N 2.86Å; R340-C344 PolarHBondContact O-SG 2.93Å; R340-C344 VanDerWaalsContact O-SG 3.36Å; E341-C344 PolarHBondContact O-N 3.1Å; C344-S346 VanDerWaalsContact C-N 3.35Å; C344-S346 PolarHBondContact O-N 2.86Å; C344-R347 PolarHBondContact O-N 3.45Å; C344-R348 WeakPolarHBondContact O-CB 3.25Å; C344-R348 PolarHBondContact O-N 2.99Å
345Q97.5Very high97.6Very high117 Ų117115.1 Ų115.155%0.54753%0.53SS..Hα-helixtrans-63.3-38.7175.3-71.118015.600112.4E341 R348 K349E341-Q345 WeakPolarHBondContact O-CB 3.33Å; E341-Q345 WeakPolarHBondContact O-CG 3.4Å; E341-Q345 PolarHBondContact O-N 3.43Å; Q345-R348 PolarHBondContact O-N 2.84Å; Q345-K349 WeakPolarHBondContact O-CB 3.42Å; Q345-K349 WeakPolarHBondContact O-CG 3.48Å; Q345-K349 PolarHBondContact O-N 3.14Å
346S97.9Very high97.7Very high78 Ų78107.2 Ų107.255%0.54551%0.51SS..Hα-helixtrans-63-46.4174.7178.90000111.8S342 A343 C344 R348 K349 K350S342-S346 VanDerWaalsContact O-CB 3.25Å; S342-S346 WeakPolarHBondContact O-CB 3.29Å; S342-S346 PolarHBondContact O-N 2.82Å; A343-S346 PolarHBondContact O-N 2.89Å; C344-S346 VanDerWaalsContact C-N 3.35Å; C344-S346 PolarHBondContact O-N 2.86Å; S346-R348 PolarHBondContact O-N 2.91Å; S346-K349 PolarHBondContact O-N 2.82Å; S346-K350 PolarHBondContact O-N 3.46Å
347R98.1Very high97.8Very high195 Ų195105.8 Ų105.874%0.73650%0.504SS*.Hα-helixtrans-60.7-43.9174.6-71171.6-176.1-162.30.6111.8A343 C344 K350 K351A343-R347 VanDerWaalsContact O-CG 3.3Å; A343-R347 WeakPolarHBondContact O-CG 3.17Å; A343-R347 PolarHBondContact O-N 2.79Å; C344-R347 PolarHBondContact O-N 3.45Å; R347-K350 PolarHBondContact O-N 3.43Å; R347-K351 PolarHBondContact O-N 2.95Å
348R98.1Very high97.9Very high167 Ų167107.7 Ų107.763%0.6351%0.512SS*.Hα-helixtrans-61.3-51.7177.2178.9171.5172151.68.3111.8C344 Q345 S346 K350 K351 E352C344-R348 WeakPolarHBondContact O-CB 3.25Å; C344-R348 PolarHBondContact O-N 2.99Å; Q345-R348 PolarHBondContact O-N 2.84Å; S346-R348 PolarHBondContact O-N 2.91Å; R348-K350 PolarHBondContact O-N 3.43Å; R348-K351 WeakPolarHBondContact O-CB 3.2Å; R348-K351 PolarHBondContact O-N 3.3Å; R348-E352 HydrophobicContact CG-CG 4.41Å; R348-E352 WeakPolarHBondContact CG-OE1 3.16Å; R348-E352 IonicContact CZ-OE1 3.8Å; R348-E352 IonicContact NE-OE1 3.05Å; R348-E352 PolarHBondContact NE-OE1 2.86Å; R348-E352 IonicContact NH2-OE1 2.62Å; R348-E352 PolarHBondContact NH2-OE1 3.21Å; R348-E352 WeakPolarHBondContact O-CG 3.21Å; R348-E352 PolarHBondContact O-N 3.5Å
349K98.4Very high98Very high141 Ų141103.3 Ų103.361%0.61350%0.502SS*.Hα-helixtrans-58.8-35.2175.9-73.5-179.7177.8-175.30112.5Q345 S346 Y353Q345-K349 WeakPolarHBondContact O-CB 3.42Å; Q345-K349 WeakPolarHBondContact O-CG 3.48Å; Q345-K349 PolarHBondContact O-N 3.14Å; S346-K349 PolarHBondContact O-N 2.82Å; K349-Y353 VanDerWaalsContact O-CB 3.27Å; K349-Y353 WeakPolarHBondContact O-CB 3.31Å; K349-Y353 PolarHBondContact O-N 3.06Å
350K98.2Very high98Very high139 Ų139106.8 Ų106.860%0.60451%0.507SS*.Hα-helixtrans-67.9-40.7173.3-171.2176.6178.2-1770112.2S346 R347 R348 Y353 L354S346-K350 PolarHBondContact O-N 3.46Å; R347-K350 PolarHBondContact O-N 3.43Å; R348-K350 PolarHBondContact O-N 3.43Å; K350-Y353 PolarHBondContact O-N 3.14Å; K350-L354 HydrophobicContact CG-CD1 4.11Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.45Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.44Å; K350-L354 PolarHBondContact O-N 2.85Å
351K98.3Very high98Very high106 Ų106104.4 Ų104.446%0.46151%0.506SS..Hα-helixtrans-61.8-49.2173.6-176.4174.2179.2174.30110.9R347 R348 Y353 L354 Q355R347-K351 PolarHBondContact O-N 2.95Å; R348-K351 WeakPolarHBondContact O-CB 3.2Å; R348-K351 PolarHBondContact O-N 3.3Å; K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 3.01Å; K351-L354 PolarHBondContact O-N 3.34Å; K351-Q355 VanDerWaalsContact O-CB 3.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.39Å; K351-Q355 PolarHBondContact O-N 3.03Å
352E98.1Very high98.1Very high87 Ų87106.3 Ų106.341%0.40752%0.515SS..Hα-helixtrans-60.3-38.6178.6-69164.8163.600111.8R348 G356R348-E352 HydrophobicContact CG-CG 4.41Å; R348-E352 WeakPolarHBondContact CG-OE1 3.16Å; R348-E352 IonicContact CZ-OE1 3.8Å; R348-E352 IonicContact NE-OE1 3.05Å; R348-E352 PolarHBondContact NE-OE1 2.86Å; R348-E352 IonicContact NH2-OE1 2.62Å; R348-E352 PolarHBondContact NH2-OE1 3.21Å; R348-E352 WeakPolarHBondContact O-CG 3.21Å; R348-E352 PolarHBondContact O-N 3.5Å; E352-G356 PolarHBondContact O-N 3.23Å
353Y98.3Very high98.1Very high153 Ų153106 Ų10660%0.652%0.516SS*.Hα-helixtrans-68.9-44.3174.6176.9-104.6000113.4K349 K350 K351 G356 L357K349-Y353 VanDerWaalsContact O-CB 3.27Å; K349-Y353 WeakPolarHBondContact O-CB 3.31Å; K349-Y353 PolarHBondContact O-N 3.06Å; K350-Y353 PolarHBondContact O-N 3.14Å; K351-Y353 VanDerWaalsContact C-N 3.31Å; K351-Y353 PolarHBondContact O-N 3.01Å; Y353-G356 PolarHBondContact O-N 3.46Å; Y353-L357 HydrophobicContact CD1-CD1 4.14Å; Y353-L357 HydrophobicContact CE1-CD1 3.51Å; Y353-L357 HydrophobicContact CE1-CG 4.2Å; Y353-L357 HydrophobicContact CE2-CG 4.45Å; Y353-L357 PolarHBondContact O-N 3.47Å
354L98.5Very high98.2Very high73 Ų73108.5 Ų108.538%0.38253%0.526SS..Hα-helixtrans-64.2-46.4177.3-72.9171.6000111.3K350 K351 G356 L357 E358K350-L354 HydrophobicContact CG-CD1 4.11Å; K350-L354 HydrophobicContact CG-CG 4.43Å; K350-L354 WeakPolarHBondContact O-CB 3.45Å; K350-L354 VanDerWaalsContact O-CG 3.32Å; K350-L354 WeakPolarHBondContact O-CG 3.44Å; K350-L354 PolarHBondContact O-N 2.85Å; K351-L354 PolarHBondContact O-N 3.34Å; L354-G356 PolarHBondContact O-N 2.89Å; L354-L357 CarbonylContact O-C 3.55Å; L354-L357 WeakPolarHBondContact O-CA 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.22Å; L354-L357 PolarHBondContact O-N 2.92Å; L354-E358 WeakPolarHBondContact O-CG 3.32Å; L354-E358 PolarHBondContact O-N 3.4Å
355Q98.2Very high98.2Very high116 Ų116110.1 Ų110.154%0.54253%0.53SS..Hα-helixtrans-58.5-36.7173.5-170.7176.87.400111.9K351 E358 A359K351-Q355 VanDerWaalsContact O-CB 3.3Å; K351-Q355 WeakPolarHBondContact O-CB 3.39Å; K351-Q355 PolarHBondContact O-N 3.03Å; Q355-E358 PolarHBondContact O-N 3.19Å; Q355-A359 WeakPolarHBondContact O-CB 3.39Å; Q355-A359 PolarHBondContact O-N 2.85Å
356G98.6Very high98.2Very high31 Ų31107 Ų10732%0.3252%0.524SS..Hα-helixtrans-68.3-29.2172.700000114.4E352 Y353 L354 R360E352-G356 PolarHBondContact O-N 3.23Å; Y353-G356 PolarHBondContact O-N 3.46Å; L354-G356 PolarHBondContact O-N 2.89Å; G356-R360 WeakPolarHBondContact O-CD 3.45Å; G356-R360 WeakPolarHBondContact O-CG 3.46Å; G356-R360 PolarHBondContact O-N 3.29Å
357L98.4Very high98.3Very high74 Ų74108 Ų10839%0.38752%0.523SS..Hα-helixtrans-76-41.4170.9-71.1177.2000111.7Y353 L354 R360 L361Y353-L357 HydrophobicContact CD1-CD1 4.14Å; Y353-L357 HydrophobicContact CE1-CD1 3.51Å; Y353-L357 HydrophobicContact CE1-CG 4.2Å; Y353-L357 HydrophobicContact CE2-CG 4.45Å; Y353-L357 PolarHBondContact O-N 3.47Å; L354-L357 CarbonylContact O-C 3.55Å; L354-L357 WeakPolarHBondContact O-CA 3.47Å; L354-L357 WeakPolarHBondContact O-CB 3.22Å; L354-L357 PolarHBondContact O-N 2.92Å; L357-R360 PolarHBondContact O-N 3.22Å; L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 3.46Å
358E98.1Very high98.2Very high108 Ų108101.9 Ų101.951%0.50551%0.505SS..Hα-helixtrans-60.7-46.8176.7-71.5154-160.900111L354 Q355 R360 L361 Q362L354-E358 WeakPolarHBondContact O-CG 3.32Å; L354-E358 PolarHBondContact O-N 3.4Å; Q355-E358 PolarHBondContact O-N 3.19Å; E358-R360 VanDerWaalsContact C-N 3.35Å; E358-R360 PolarHBondContact O-N 3.42Å; E358-L361 WeakPolarHBondContact O-CB 3.4Å; E358-L361 PolarHBondContact O-N 3.41Å; E358-Q362 WeakPolarHBondContact O-CG 3.37Å; E358-Q362 PolarHBondContact O-N 3.38Å
359A98.3Very high98.3Very high53 Ų5399.1 Ų99.144%0.43850%0.5SS..Hα-helixtrans-61.9-38.8174.900000112.8Q355 Q362 A363Q355-A359 WeakPolarHBondContact O-CB 3.39Å; Q355-A359 PolarHBondContact O-N 2.85Å; A359-Q362 PolarHBondContact O-N 2.91Å; A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.85Å
360R98.1Very high98.2Very high184 Ų18496.2 Ų96.269%0.69449%0.488SS*.Hα-helixtrans-66.8-39.1174.2-75.6171.2-177.8-147.7-0.9112.2G356 L357 E358 A363 V364G356-R360 WeakPolarHBondContact O-CD 3.45Å; G356-R360 WeakPolarHBondContact O-CG 3.46Å; G356-R360 PolarHBondContact O-N 3.29Å; L357-R360 PolarHBondContact O-N 3.22Å; E358-R360 VanDerWaalsContact C-N 3.35Å; E358-R360 PolarHBondContact O-N 3.42Å; R360-A363 PolarHBondContact O-N 3.44Å; R360-V364 WeakPolarHBondContact O-CB 3.46Å; R360-V364 WeakPolarHBondContact O-CG2 3.46Å; R360-V364 PolarHBondContact O-N 3.24Å
361L98.3Very high98.2Very high106 Ų10694 Ų9456%0.55548%0.482SS*.Hα-helixtrans-64.4-44.9175.5178.260.8000110.9L357 E358 V364 L365L357-L361 WeakPolarHBondContact O-CB 3.49Å; L357-L361 PolarHBondContact O-N 3.46Å; E358-L361 WeakPolarHBondContact O-CB 3.4Å; E358-L361 PolarHBondContact O-N 3.41Å; L361-V364 PolarHBondContact O-N 2.98Å; L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.99Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.35Å
362Q98.3Very high98.2Very high139 Ų13997.1 Ų97.165%0.6549%0.491SS*.Hα-helixtrans-60.2-44.7175.2-73.6177-9.700112.2E358 A359 L365 A366E358-Q362 WeakPolarHBondContact O-CG 3.37Å; E358-Q362 PolarHBondContact O-N 3.38Å; A359-Q362 PolarHBondContact O-N 2.91Å; Q362-L365 PolarHBondContact O-N 3.32Å; Q362-A366 PolarHBondContact O-N 2.77Å
363A98.4Very high98.2Very high50 Ų5098.9 Ų98.941%0.41349%0.494SS..Hα-helixtrans-59.4-51.3175.100000111.9A359 R360 L365 A366 D367A359-A363 WeakPolarHBondContact O-CB 3.35Å; A359-A363 PolarHBondContact O-N 2.85Å; R360-A363 PolarHBondContact O-N 3.44Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 2.87Å; A363-A366 WeakPolarHBondContact O-CB 3.25Å; A363-A366 PolarHBondContact O-N 2.83Å; A363-A366 VanDerWaalsContact O-N 3.1Å; A363-D367 VanDerWaalsContact O-CG 3.32Å; A363-D367 PolarHBondContact O-N 2.8Å
364V98.1Very high98.2Very high90 Ų9095.6 Ų95.655%0.54548%0.484SS..Hα-helixtrans-62.5-32.1178.6170.80000112.3R360 L361 N368R360-V364 WeakPolarHBondContact O-CB 3.46Å; R360-V364 WeakPolarHBondContact O-CG2 3.46Å; R360-V364 PolarHBondContact O-N 3.24Å; L361-V364 PolarHBondContact O-N 2.98Å; V364-N368 VanDerWaalsContact O-CB 3.29Å; V364-N368 WeakPolarHBondContact O-CB 3.38Å; V364-N368 PolarHBondContact O-N 2.86Å
365L98.3Very high98.2Very high105 Ų10596 Ų9655%0.5549%0.487SS..Hα-helixtrans-70.5-40.6173.6-73.7170.2000112.1L361 Q362 A363 N368 Q369L361-L365 HydrophobicContact CD1-CD1 4.12Å; L361-L365 HydrophobicContact CD1-CG 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.99Å; L361-L365 WeakPolarHBondContact O-CB 3.24Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.35Å; L361-L365 PolarHBondContact O-N 3.35Å; Q362-L365 PolarHBondContact O-N 3.32Å; A363-L365 VanDerWaalsContact C-N 3.26Å; A363-L365 PolarHBondContact O-N 2.87Å; L365-N368 PolarHBondContact O-N 2.84Å; L365-Q369 WeakPolarHBondContact O-CB 3.5Å; L365-Q369 PolarHBondContact O-N 2.97Å
366A98.4Very high98.2Very high52 Ų5292.1 Ų92.143%0.4347%0.474SS..Hα-helixtrans-63.6-45.3173.900000111.5Q362 A363 N368 Q369 Q370Q362-A366 PolarHBondContact O-N 2.77Å; A363-A366 WeakPolarHBondContact O-CB 3.25Å; A363-A366 PolarHBondContact O-N 2.83Å; A363-A366 VanDerWaalsContact O-N 3.1Å; A366-N368 VanDerWaalsContact C-N 3.34Å; A366-N368 PolarHBondContact O-N 2.9Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.76Å; A366-Q370 WeakPolarHBondContact O-CB 3.3Å; A366-Q370 PolarHBondContact O-N 2.81Å
367D98.1Very high98.2Very high99 Ų9992.3 Ų92.353%0.52947%0.473SS..Hα-helixtrans-59.6-43.7173.8-66.9-24.8000111.2A363 Q369 Q370 L371A363-D367 VanDerWaalsContact O-CG 3.32Å; A363-D367 PolarHBondContact O-N 2.8Å; D367-Q369 VanDerWaalsContact C-N 3.34Å; D367-Q369 PolarHBondContact O-N 3.27Å; D367-Q370 PolarHBondContact O-N 3.07Å; D367-L371 WeakPolarHBondContact O-CB 3.25Å; D367-L371 WeakPolarHBondContact O-CG 3.26Å; D367-L371 PolarHBondContact O-N 2.94Å
368N98Very high98.1Very high67 Ų6793.1 Ų93.136%0.35848%0.477SS..Hα-helixtrans-65.9-36.8177.4-157.5-97.6000112V364 L365 A366 R372V364-N368 VanDerWaalsContact O-CB 3.29Å; V364-N368 WeakPolarHBondContact O-CB 3.38Å; V364-N368 PolarHBondContact O-N 2.86Å; L365-N368 PolarHBondContact O-N 2.84Å; A366-N368 VanDerWaalsContact C-N 3.34Å; A366-N368 PolarHBondContact O-N 2.9Å; N368-R372 WeakPolarHBondContact O-CG 3.4Å; N368-R372 PolarHBondContact O-N 3.25Å; N368-R372 PolarHBondContact OD1-NE 2.85Å; N368-R372 PolarHBondContact OD1-NH2 2.86Å
369Q98.2Very high98.1Very high109 Ų10995.5 Ų95.551%0.50948%0.482SS..Hα-helixtrans-65.5-40.9173.6-162.9-169.643.700111.1L365 A366 D367 R372 R373L365-Q369 WeakPolarHBondContact O-CB 3.5Å; L365-Q369 PolarHBondContact O-N 2.97Å; A366-Q369 WeakPolarHBondContact O-CB 3.46Å; A366-Q369 PolarHBondContact O-N 2.76Å; D367-Q369 VanDerWaalsContact C-N 3.34Å; D367-Q369 PolarHBondContact O-N 3.27Å; Q369-R372 WeakPolarHBondContact O-CB 3.35Å; Q369-R372 PolarHBondContact O-N 2.91Å; Q369-R373 WeakPolarHBondContact O-CG 3.49Å; Q369-R373 PolarHBondContact O-N 3.36Å
370Q98.3Very high98.1Very high79 Ų79100.4 Ų100.437%0.36949%0.489SS..Hα-helixtrans-65.5-48.9176.9-178.958.315.100112A366 D367 R372 R373 E374A366-Q370 WeakPolarHBondContact O-CB 3.3Å; A366-Q370 PolarHBondContact O-N 2.81Å; D367-Q370 PolarHBondContact O-N 3.07Å; Q370-R372 PolarHBondContact O-N 2.69Å; Q370-R373 WeakPolarHBondContact O-CA 3.44Å; Q370-R373 WeakPolarHBondContact O-CB 3.49Å; Q370-R373 PolarHBondContact O-N 3.08Å; Q370-E374 WeakPolarHBondContact CG-OE1 3.23Å; Q370-E374 PolarHBondContact NE2-OE1 3.22Å; Q370-E374 PolarHBondContact O-N 2.7Å
371L97.9Very high98Very high92 Ų9299.7 Ų99.748%0.48249%0.486SS..Hα-helixtrans-59-30.6174.6-70.6170000112.3D367 N375D367-L371 WeakPolarHBondContact O-CB 3.25Å; D367-L371 WeakPolarHBondContact O-CG 3.26Å; D367-L371 PolarHBondContact O-N 2.94Å; L371-N375 VanDerWaalsContact O-CB 3.3Å; L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.04Å; L371-N375 PolarHBondContact O-ND2 3.17Å
372R97.8Very high98Very high172 Ų17299.7 Ų99.765%0.64949%0.486SS*.Hα-helixtrans-69.2-42171-72.9169.7-163.7-159.54.8112.5N368 Q369 Q370 E374 N375 A376N368-R372 WeakPolarHBondContact O-CG 3.4Å; N368-R372 PolarHBondContact O-N 3.25Å; N368-R372 PolarHBondContact OD1-NE 2.85Å; N368-R372 PolarHBondContact OD1-NH2 2.86Å; Q369-R372 WeakPolarHBondContact O-CB 3.35Å; Q369-R372 PolarHBondContact O-N 2.91Å; Q370-R372 PolarHBondContact O-N 2.69Å; R372-E374 VanDerWaalsContact C-N 3.33Å; R372-N375 PolarHBondContact O-N 2.88Å; R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.46Å
373R98.3Very high97.9Very high124 Ų12498.6 Ų98.647%0.46848%0.481SS..Hα-helixtrans-59.8-45173.6-65.3-178.9-1701024111Q369 Q370 A376 A377Q369-R373 WeakPolarHBondContact O-CG 3.49Å; Q369-R373 PolarHBondContact O-N 3.36Å; Q370-R373 WeakPolarHBondContact O-CA 3.44Å; Q370-R373 WeakPolarHBondContact O-CB 3.49Å; Q370-R373 PolarHBondContact O-N 3.08Å; R373-A376 PolarHBondContact O-N 3.39Å; R373-A377 PolarHBondContact O-N 3.18Å
374E98.1Very high97.8Very high85 Ų8599.6 Ų99.640%0.39748%0.482SS..Hα-helixtrans-67-45.1179.6-71.5171.6-16700111.8Q370 R372 A376 A377 L378Q370-E374 WeakPolarHBondContact CG-OE1 3.23Å; Q370-E374 PolarHBondContact NE2-OE1 3.22Å; Q370-E374 PolarHBondContact O-N 2.7Å; R372-E374 VanDerWaalsContact C-N 3.33Å; E374-A376 VanDerWaalsContact C-N 3.29Å; E374-A376 PolarHBondContact O-N 3.03Å; E374-A377 PolarHBondContact O-N 3.27Å; E374-A377 VanDerWaalsContact O-N 3.15Å; E374-L378 WeakPolarHBondContact O-CB 3.46Å; E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 2.88Å
375N98.1Very high97.7Very high81 Ų8199.7 Ų99.743%0.43348%0.479SS..Hα-helixtrans-58.5-39.7172.5-91-91.5000112.2L371 R372 R379L371-N375 VanDerWaalsContact O-CB 3.3Å; L371-N375 WeakPolarHBondContact O-CB 3.41Å; L371-N375 PolarHBondContact O-N 3.04Å; L371-N375 PolarHBondContact O-ND2 3.17Å; R372-N375 PolarHBondContact O-N 2.88Å; N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.49Å; N375-R379 PolarHBondContact O-N 3.43Å
376A97.9Very high97.5Very high34 Ų34100.3 Ų100.328%0.28148%0.482SS..Hα-helixtrans-66.1-41.5174.900000112.1R372 R373 E374 R379 R380R372-A376 WeakPolarHBondContact O-CB 3.41Å; R372-A376 PolarHBondContact O-N 3.46Å; R373-A376 PolarHBondContact O-N 3.39Å; E374-A376 VanDerWaalsContact C-N 3.29Å; E374-A376 PolarHBondContact O-N 3.03Å; A376-R379 PolarHBondContact O-N 3.48Å; A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.21Å; A376-R380 VanDerWaalsContact O-N 3.07Å
377A98.2Very high97.2Very high35 Ų35101.6 Ų101.629%0.28949%0.485SS..Hα-helixtrans-65.5-40.917600000112.6R373 E374 R380 R381R373-A377 PolarHBondContact O-N 3.18Å; E374-A377 PolarHBondContact O-N 3.27Å; E374-A377 VanDerWaalsContact O-N 3.15Å; A377-R380 PolarHBondContact O-N 3.19Å; A377-R381 WeakPolarHBondContact O-CG 3.37Å; A377-R381 PolarHBondContact O-N 2.92Å
378L97.9Very high96.9Very high92 Ų92101.3 Ų101.348%0.48248%0.48SS..Hα-helixtrans-66.1-39.9175.5-70.1172.1000111.9E374 R381 L382E374-L378 WeakPolarHBondContact O-CB 3.46Å; E374-L378 WeakPolarHBondContact O-CG 3.46Å; E374-L378 PolarHBondContact O-N 2.88Å; L378-R381 PolarHBondContact O-N 3.4Å; L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.73Å
379R97.3Very high96.4Very high158 Ų158101.3 Ų101.360%0.59648%0.481SS*.Hα-helixtrans-61.3-47.3173.9-75.2171.2-171.3-164.61.9112.1N375 A376 R381 L382 E383N375-R379 WeakPolarHBondContact O-CB 3.36Å; N375-R379 VanDerWaalsContact O-CG 3.23Å; N375-R379 WeakPolarHBondContact O-CG 3.49Å; N375-R379 PolarHBondContact O-N 3.43Å; A376-R379 PolarHBondContact O-N 3.48Å; R379-R381 VanDerWaalsContact C-N 3.33Å; R379-R381 PolarHBondContact O-N 3.08Å; R379-L382 WeakPolarHBondContact O-CB 3.19Å; R379-L382 PolarHBondContact O-N 3.29Å; R379-L382 VanDerWaalsContact O-N 3.13Å; R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.4Å
380R97.8Very high95.8Very high155 Ų15598.8 Ų98.859%0.58548%0.475SS*.Hα-helixtrans-57.7-44.1174.1-67.3-179-151.8119.1-1.6112.1A376 A377 L382 E383 T384A376-R380 WeakPolarHBondContact O-CG 3.37Å; A376-R380 PolarHBondContact O-N 3.21Å; A376-R380 VanDerWaalsContact O-N 3.07Å; A377-R380 PolarHBondContact O-N 3.19Å; R380-L382 PolarHBondContact O-N 2.89Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.88Å; R380-T384 PolarHBondContact O-N 3.35Å; R380-T384 PolarHBondContact O-OG1 2.93Å
381R97.4Very high95.1Very high170 Ų170102 Ų10264%0.64249%0.49SS*.Hα-helixtrans-61.2-41.5175.8-73.2175.6-179.2178.70.9112.2A377 L378 R379 T384 L385A377-R381 WeakPolarHBondContact O-CG 3.37Å; A377-R381 PolarHBondContact O-N 2.92Å; L378-R381 PolarHBondContact O-N 3.4Å; R379-R381 VanDerWaalsContact C-N 3.33Å; R379-R381 PolarHBondContact O-N 3.08Å; R381-T384 PolarHBondContact O-N 2.84Å; R381-L385 WeakPolarHBondContact O-CB 3.15Å; R381-L385 VanDerWaalsContact O-CG 3.27Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.3Å
382L96.9Very high94.1Very high105 Ų105103.1 Ų103.155%0.5550%0.496SS..Hα-helixtrans-64.9-41.7174.8-72.8169.3000111.6L378 R379 R380 L385 L386L378-L382 WeakPolarHBondContact O-CG 3.25Å; L378-L382 PolarHBondContact O-N 2.73Å; R379-L382 WeakPolarHBondContact O-CB 3.19Å; R379-L382 PolarHBondContact O-N 3.29Å; R379-L382 VanDerWaalsContact O-N 3.13Å; R380-L382 PolarHBondContact O-N 2.89Å; L382-L385 PolarHBondContact O-N 2.97Å; L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 WeakPolarHBondContact O-CD1 3.43Å; L382-L386 WeakPolarHBondContact O-CG 3.4Å; L382-L386 PolarHBondContact O-N 3.48Å
383E96.8Very high92.8Very high116 Ų116101.4 Ų101.454%0.54249%0.493SS..Hα-helixtrans-60.1-48.2174.7-72.4157.7-172.800111R379 R380 L386 T387R379-E383 WeakPolarHBondContact O-CG 3.38Å; R379-E383 PolarHBondContact O-N 3.4Å; R380-E383 WeakPolarHBondContact O-CB 3.36Å; R380-E383 PolarHBondContact O-N 2.88Å; E383-L386 PolarHBondContact O-N 3.4Å; E383-T387 PolarHBondContact O-N 2.98Å; E383-T387 PolarHBondContact O-OG1 2.89Å
384T96Very high91Very high72 Ų72101.5 Ų101.544%0.44250%0.502SS..Hα-helixtrans-58.2-51.3175-51.60000112R380 R381 L386 T387 E388R380-T384 PolarHBondContact O-N 3.35Å; R380-T384 PolarHBondContact O-OG1 2.93Å; R381-T384 PolarHBondContact O-N 2.84Å; T384-L386 VanDerWaalsContact C-N 3.25Å; T384-L386 PolarHBondContact O-N 2.62Å; T384-T387 WeakPolarHBondContact CA-OG1 3.45Å; T384-T387 PolarHBondContact O-N 2.9Å; T384-T387 VanDerWaalsContact O-N 3.12Å; T384-T387 PolarHBondContact O-OG1 3.41Å; T384-E388 WeakPolarHBondContact O-CG 3.27Å; T384-E388 PolarHBondContact O-N 3.16Å
385L95Very high89.1Confident92 Ų9298.3 Ų98.348%0.48249%0.492SS..Hα-helixtrans-64.1-29.2179.3-71.3170.2000112.8R381 L382 N389R381-L385 WeakPolarHBondContact O-CB 3.15Å; R381-L385 VanDerWaalsContact O-CG 3.27Å; R381-L385 WeakPolarHBondContact O-CG 3.4Å; R381-L385 PolarHBondContact O-N 3.3Å; L382-L385 PolarHBondContact O-N 2.97Å; L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.35Å; L385-N389 PolarHBondContact O-N 3.45Å; L385-N389 PolarHBondContact O-ND2 3Å
386L94.6Very high87.3Confident117 Ų11796.5 Ų96.561%0.61349%0.486SS*.Hα-helixtrans-73.9-39.6173-75.9169.5000111.8L382 E383 T384 N389 S390L382-L386 VanDerWaalsContact O-CB 3.25Å; L382-L386 WeakPolarHBondContact O-CB 3.44Å; L382-L386 WeakPolarHBondContact O-CD1 3.43Å; L382-L386 WeakPolarHBondContact O-CG 3.4Å; L382-L386 PolarHBondContact O-N 3.48Å; E383-L386 PolarHBondContact O-N 3.4Å; T384-L386 VanDerWaalsContact C-N 3.25Å; T384-L386 PolarHBondContact O-N 2.62Å; L386-N389 PolarHBondContact O-N 3.11Å; L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 2.93Å
387T92.6Very high85.7Confident79 Ų7996.7 Ų96.749%0.48549%0.491SS..Hα-helixtrans-63.3-48.8172.7460000111.3E383 T384 N389 S390 E391E383-T387 PolarHBondContact O-N 2.98Å; E383-T387 PolarHBondContact O-OG1 2.89Å; T384-T387 WeakPolarHBondContact CA-OG1 3.45Å; T384-T387 PolarHBondContact O-N 2.9Å; T384-T387 VanDerWaalsContact O-N 3.12Å; T384-T387 PolarHBondContact O-OG1 3.41Å; T387-N389 VanDerWaalsContact C-N 3.32Å; T387-N389 PolarHBondContact O-N 2.93Å; T387-S390 WeakPolarHBondContact O-CA 3.23Å; T387-S390 WeakPolarHBondContact O-CB 3.49Å; T387-S390 PolarHBondContact O-N 3.27Å; T387-S390 PolarHBondContact O-OG 3.24Å; T387-E391 PolarHBondContact O-N 3.2Å
388E92.6Very high84.2Confident93 Ų93100.6 Ų100.644%0.43551%0.507SS..Hα-helixtrans-57.3-43.7174-70172.2-170.900111.7T384 S390 E391 L392T384-E388 WeakPolarHBondContact O-CG 3.27Å; T384-E388 PolarHBondContact O-N 3.16Å; E388-S390 VanDerWaalsContact C-N 3.3Å; E388-S390 PolarHBondContact O-N 3.18Å; E388-E391 PolarHBondContact O-N 2.88Å; E388-L392 WeakPolarHBondContact O-CB 3.48Å; E388-L392 VanDerWaalsContact O-CG 3.25Å; E388-L392 WeakPolarHBondContact O-CG 3.48Å; E388-L392 PolarHBondContact O-N 2.89Å
389N87.4Confident83Confident68 Ų68105 Ų10536%0.36452%0.517SS..Hα-helixtrans-61.7-37.5174.5-99.7-97.5000112.7L385 L386 T387 K393L385-N389 VanDerWaalsContact O-CB 3.23Å; L385-N389 WeakPolarHBondContact O-CB 3.35Å; L385-N389 PolarHBondContact O-N 3.45Å; L385-N389 PolarHBondContact O-ND2 3Å; L386-N389 PolarHBondContact O-N 3.11Å; T387-N389 VanDerWaalsContact C-N 3.32Å; T387-N389 PolarHBondContact O-N 2.93Å; N389-K393 VanDerWaalsContact O-CB 3.25Å; N389-K393 WeakPolarHBondContact O-CB 3.45Å; N389-K393 VanDerWaalsContact O-CD 3.29Å; N389-K393 WeakPolarHBondContact O-CD 3.27Å; N389-K393 WeakPolarHBondContact O-CG 3.27Å; N389-K393 PolarHBondContact O-N 3.25Å; N389-K393 PolarHBondContact OD1-NZ 3Å
390S84.8Confident81.9Confident56 Ų56103.6 Ų103.639%0.39252%0.515SS..Hα-helixtrans-70-43.4178.879.40000111.3L386 T387 E388 K393 L394L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 2.93Å; T387-S390 WeakPolarHBondContact O-CA 3.23Å; T387-S390 WeakPolarHBondContact O-CB 3.49Å; T387-S390 PolarHBondContact O-N 3.27Å; T387-S390 PolarHBondContact O-OG 3.24Å; E388-S390 VanDerWaalsContact C-N 3.3Å; E388-S390 PolarHBondContact O-N 3.18Å; S390-K393 PolarHBondContact O-N 2.85Å; S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 3.35Å
391E84.3Confident81Confident145 Ų145100.7 Ų100.768%0.67852%0.515SS*.Hα-helixtrans-63.1-44.3174.9-70.6-168.3172.700111.8T387 E388 K393 G395T387-E391 PolarHBondContact O-N 3.2Å; E388-E391 PolarHBondContact O-N 2.88Å; E391-K393 VanDerWaalsContact C-N 3.32Å; E391-K393 PolarHBondContact O-N 2.71Å; E391-G395 VanDerWaalsContact O-CA 3.31Å; E391-G395 WeakPolarHBondContact O-CA 3.46Å; E391-G395 PolarHBondContact O-N 3.12Å
392L75.7Confident80.2Confident117 Ų11796.3 Ų96.361%0.61351%0.506SS*.Hα-helixtrans-64.3-36.3175.8-70.9171.8000111.8E388 S396E388-L392 WeakPolarHBondContact O-CB 3.48Å; E388-L392 VanDerWaalsContact O-CG 3.25Å; E388-L392 WeakPolarHBondContact O-CG 3.48Å; E388-L392 PolarHBondContact O-N 2.89Å; L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 2.86Å
393K70.6Confident79.4Confident136 Ų13695.5 Ų95.559%0.59151%0.509SS*.Hα-helixtrans-74.2-47.6178.7-76.7163.9178.8146.40112.7N389 S390 E391 S396 G397N389-K393 VanDerWaalsContact O-CB 3.25Å; N389-K393 WeakPolarHBondContact O-CB 3.45Å; N389-K393 VanDerWaalsContact O-CD 3.29Å; N389-K393 WeakPolarHBondContact O-CD 3.27Å; N389-K393 WeakPolarHBondContact O-CG 3.27Å; N389-K393 PolarHBondContact O-N 3.25Å; N389-K393 PolarHBondContact OD1-NZ 3Å; S390-K393 PolarHBondContact O-N 2.85Å; E391-K393 VanDerWaalsContact C-N 3.32Å; E391-K393 PolarHBondContact O-N 2.71Å; K393-S396 PolarHBondContact O-N 3.29Å; K393-G397 PolarHBondContact O-N 3.45Å
394L60.1Low78.8Confident125 Ų12594.9 Ų94.965%0.65451%0.508SS*.Hα-helixtrans-64.5-44.4174.2-90.365.8000110.9S390 S396 G397 N398S390-L394 WeakPolarHBondContact O-CB 3.3Å; S390-L394 WeakPolarHBondContact O-CD1 3.21Å; S390-L394 PolarHBondContact O-N 3.35Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.9Å; L394-G397 PolarHBondContact O-N 2.96Å; L394-N398 PolarHBondContact O-N 2.8Å
395G58.7Low78.3Confident18 Ų1897.1 Ų97.119%0.18652%0.515CS..Hα-helixtrans-60.1-38.3175.400000112.9E391 G397 R399E391-G395 VanDerWaalsContact O-CA 3.31Å; E391-G395 WeakPolarHBondContact O-CA 3.46Å; E391-G395 PolarHBondContact O-N 3.12Å; G395-G397 PolarHBondContact O-N 2.91Å; G395-R399 WeakPolarHBondContact O-CB 3.41Å; G395-R399 WeakPolarHBondContact O-CG 3.44Å; G395-R399 PolarHBondContact O-N 3.27Å
396S60.7Low78Confident44 Ų4496.9 Ų96.931%0.30852%0.517SS..Hα-helixtrans-62.4-41177.6-163.70000112.5L392 K393 L394 K400L392-S396 WeakPolarHBondContact O-CB 3.49Å; L392-S396 PolarHBondContact O-N 2.86Å; K393-S396 PolarHBondContact O-N 3.29Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.9Å; S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 VanDerWaalsContact O-CD 3.32Å; S396-K400 WeakPolarHBondContact O-CD 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.4Å; S396-K400 PolarHBondContact O-N 3.18Å; S396-K400 VanDerWaalsContact O-N 3.1Å; S396-K400 WeakPolarHBondContact OG-CE 3.5Å; S396-K400 PolarHBondContact OG-NZ 3.35Å
397G64.1Low77.7Confident37 Ų3798.1 Ų98.138%0.38152%0.518SS..Hα-helixtrans-61.7-55.2176.800000111.7K393 L394 G395 K400 V401K393-G397 PolarHBondContact O-N 3.45Å; L394-G397 PolarHBondContact O-N 2.96Å; G395-G397 PolarHBondContact O-N 2.91Å; G397-K400 PolarHBondContact O-N 2.98Å; G397-V401 WeakPolarHBondContact O-CG2 3.48Å; G397-V401 PolarHBondContact O-N 2.93Å; G397-V401 VanDerWaalsContact O-N 3.09Å
398N66.8Low77.4Confident117 Ų11799.3 Ų99.363%0.62652%0.521SS*.Hα-helixtrans-67.6-39.7-176.8-67.3-11.9000112.4L394 K400 V401 V402L394-N398 PolarHBondContact O-N 2.8Å; N398-K400 PolarHBondContact O-N 3.21Å; N398-V401 PolarHBondContact O-N 2.8Å; N398-V402 WeakPolarHBondContact O-CB 3.42Å; N398-V402 VanDerWaalsContact O-CG2 3.32Å; N398-V402 WeakPolarHBondContact O-CG2 3.46Å; N398-V402 PolarHBondContact O-N 2.77Å
399R73.4Confident77.1Confident184 Ų184100 Ų10069%0.69453%0.527SS*.Hα-helixtrans-64.5-37.1176.1-69.4173.2-169.6-169.55.5112.1G395 V402 C403G395-R399 WeakPolarHBondContact O-CB 3.41Å; G395-R399 WeakPolarHBondContact O-CG 3.44Å; G395-R399 PolarHBondContact O-N 3.27Å; R399-V402 PolarHBondContact O-N 2.91Å; R399-C403 WeakPolarHBondContact O-CB 3.44Å; R399-C403 PolarHBondContact O-N 3.5Å; R399-C403 PolarHBondContact O-SG 2.8Å
400K74.3Confident77.1Confident130 Ų130103.2 Ų103.257%0.56554%0.538SS*.Hα-helixtrans-64.1-45.8173.3-76.2165.1-179.2153.70111.7S396 G397 N398 C403 I404S396-K400 WeakPolarHBondContact O-CB 3.32Å; S396-K400 VanDerWaalsContact O-CD 3.32Å; S396-K400 WeakPolarHBondContact O-CD 3.29Å; S396-K400 WeakPolarHBondContact O-CG 3.4Å; S396-K400 PolarHBondContact O-N 3.18Å; S396-K400 VanDerWaalsContact O-N 3.1Å; S396-K400 WeakPolarHBondContact OG-CE 3.5Å; S396-K400 PolarHBondContact OG-NZ 3.35Å; G397-K400 PolarHBondContact O-N 2.98Å; N398-K400 PolarHBondContact O-N 3.21Å; K400-C403 PolarHBondContact O-N 2.91Å; K400-I404 WeakPolarHBondContact O-CB 3.45Å; K400-I404 WeakPolarHBondContact O-CD1 3.39Å; K400-I404 VanDerWaalsContact O-CG1 3.24Å; K400-I404 WeakPolarHBondContact O-CG1 3.23Å; K400-I404 PolarHBondContact O-N 2.89Å
401V78.6Confident77.1Confident94 Ų94103.9 Ų103.957%0.5754%0.536SS*.Hα-helixtrans-62.9-43176.5174.20000111.3G397 N398 I404 M405G397-V401 WeakPolarHBondContact O-CG2 3.48Å; G397-V401 PolarHBondContact O-N 2.93Å; G397-V401 VanDerWaalsContact O-N 3.09Å; N398-V401 PolarHBondContact O-N 2.8Å; V401-I404 PolarHBondContact O-N 3.48Å; V401-M405 VanDerWaalsContact O-CB 3.3Å; V401-M405 WeakPolarHBondContact O-CB 3.38Å; V401-M405 PolarHBondContact O-N 3.31Å
402V81.1Confident77Confident77 Ų7799.9 Ų99.947%0.46753%0.528SS..Hα-helixtrans-65.1-44.6176.61700000111.7N398 R399 I404 M405 V406N398-V402 WeakPolarHBondContact O-CB 3.42Å; N398-V402 VanDerWaalsContact O-CG2 3.32Å; N398-V402 WeakPolarHBondContact O-CG2 3.46Å; N398-V402 PolarHBondContact O-N 2.77Å; R399-V402 PolarHBondContact O-N 2.91Å; V402-I404 PolarHBondContact O-N 3.2Å; V402-M405 PolarHBondContact O-N 2.97Å; V402-V406 HydrophobicContact CG1-CG2 4.4Å; V402-V406 WeakPolarHBondContact O-CB 3.49Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.86Å
403C78.4Confident77Confident88 Ų88102.7 Ų102.760%0.59554%0.536SS*.Hα-helixtrans-60.6-43.7174.5-74.80000111.9R399 K400 V406 F407R399-C403 WeakPolarHBondContact O-CB 3.44Å; R399-C403 PolarHBondContact O-N 3.5Å; R399-C403 PolarHBondContact O-SG 2.8Å; K400-C403 PolarHBondContact O-N 2.91Å; C403-V406 PolarHBondContact O-N 3.07Å; C403-F407 VanDerWaalsContact O-CB 3.3Å; C403-F407 WeakPolarHBondContact O-CB 3.33Å; C403-F407 PolarHBondContact O-N 3.48Å
404I86.1Confident77.1Confident103 Ų103101 Ų10153%0.52853%0.533SS..Hα-helixtrans-64-41.9175.8-69.4165000110.8K400 V401 V402 F407 L408K400-I404 WeakPolarHBondContact O-CB 3.45Å; K400-I404 WeakPolarHBondContact O-CD1 3.39Å; K400-I404 VanDerWaalsContact O-CG1 3.24Å; K400-I404 WeakPolarHBondContact O-CG1 3.23Å; K400-I404 PolarHBondContact O-N 2.89Å; V401-I404 PolarHBondContact O-N 3.48Å; V402-I404 PolarHBondContact O-N 3.2Å; I404-F407 PolarHBondContact O-N 3.36Å; I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 VanDerWaalsContact O-CG 3.27Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.13Å
405M83.9Confident77.5Confident120 Ų120103.3 Ų103.359%0.59154%0.538SS*.Hα-helixtrans-64.4-42.7177.9-170.7-178.277.600112.1V401 V402 L408 L409V401-M405 VanDerWaalsContact O-CB 3.3Å; V401-M405 WeakPolarHBondContact O-CB 3.38Å; V401-M405 PolarHBondContact O-N 3.31Å; V402-M405 PolarHBondContact O-N 2.97Å; M405-L408 PolarHBondContact O-N 2.81Å; M405-L409 VanDerWaalsContact O-CB 3.26Å; M405-L409 WeakPolarHBondContact O-CB 3.44Å; M405-L409 PolarHBondContact O-N 2.95Å
406V89.1Confident77.5Confident87 Ų87104.5 Ų104.553%0.52755%0.55SS.*Hα-helixtrans-65-40.5174.5170.70000111V402 C403 L409 F410V402-V406 HydrophobicContact CG1-CG2 4.4Å; V402-V406 WeakPolarHBondContact O-CB 3.49Å; V402-V406 WeakPolarHBondContact O-CG2 3.5Å; V402-V406 PolarHBondContact O-N 2.86Å; C403-V406 PolarHBondContact O-N 3.07Å; V406-L409 PolarHBondContact O-N 3.38Å; V406-F410 WeakPolarHBondContact O-CB 3.2Å; V406-F410 PolarHBondContact O-N 3.02Å
407F88.6Confident77.2Confident142 Ų142107.9 Ų107.962%0.62357%0.571SS**Hα-helixtrans-68.3-40.5178.1-156.2-98.5000112.1C403 I404 F410 I411C403-F407 VanDerWaalsContact O-CB 3.3Å; C403-F407 WeakPolarHBondContact O-CB 3.33Å; C403-F407 PolarHBondContact O-N 3.48Å; I404-F407 PolarHBondContact O-N 3.36Å; F407-F410 PolarHBondContact O-N 2.9Å; F407-I411 HydrophobicContact CD1-CD1 3.68Å; F407-I411 HydrophobicContact CD1-CG1 4.43Å; F407-I411 HydrophobicContact CE1-CD1 3.76Å; F407-I411 WeakPolarHBondContact O-CG1 3.33Å; F407-I411 PolarHBondContact O-N 3.47Å
408L86.5Confident76.6Confident105 Ų105113.2 Ų113.255%0.5560%0.596SS.*Hα-helixtrans-66.5-39.2173.1-73.5172.1000112.1I404 M405 I411 A412I404-L408 HydrophobicContact CG2-CD1 3.78Å; I404-L408 HydrophobicContact CG2-CG 4.25Å; I404-L408 WeakPolarHBondContact O-CB 3.49Å; I404-L408 VanDerWaalsContact O-CG 3.27Å; I404-L408 WeakPolarHBondContact O-CG 3.47Å; I404-L408 PolarHBondContact O-N 3.13Å; M405-L408 PolarHBondContact O-N 2.81Å; L408-I411 PolarHBondContact O-N 2.92Å; L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 3.31Å
409L86.8Confident75.9Confident107 Ų107113 Ų11356%0.5660%0.604SS**Hα-helixtrans-64.7-41.6174.1-177.663.5000111.1M405 V406 A412 F413M405-L409 VanDerWaalsContact O-CB 3.26Å; M405-L409 WeakPolarHBondContact O-CB 3.44Å; M405-L409 PolarHBondContact O-N 2.95Å; V406-L409 PolarHBondContact O-N 3.38Å; L409-A412 PolarHBondContact O-N 3.05Å; L409-F413 HydrophobicContact CD1-CD2 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 3.44Å
410F86.8Confident74.9Confident135 Ų135112 Ų11259%0.59261%0.61SS**Hα-helixtrans-63.1-44.9174.9-168-96.8000111.4V406 F407 F413 N414V406-F410 WeakPolarHBondContact O-CB 3.2Å; V406-F410 PolarHBondContact O-N 3.02Å; F407-F410 PolarHBondContact O-N 2.9Å; F410-F413 PolarHBondContact O-N 3.18Å; F410-N414 WeakPolarHBondContact CE1-ND2 3.37Å; F410-N414 WeakPolarHBondContact O-CB 3.32Å; F410-N414 PolarHBondContact O-N 3.26Å; F410-N414 PolarHBondContact O-ND2 3.48Å
411I84.9Confident73.8Confident71 Ų71111 Ų11136%0.36462%0.62SS.*Hα-helixtrans-59.3-49172.7-71.7167.9000110.5F407 L408 F413 N414 F415F407-I411 HydrophobicContact CD1-CD1 3.68Å; F407-I411 HydrophobicContact CD1-CG1 4.43Å; F407-I411 HydrophobicContact CE1-CD1 3.76Å; F407-I411 WeakPolarHBondContact O-CG1 3.33Å; F407-I411 PolarHBondContact O-N 3.47Å; L408-I411 PolarHBondContact O-N 2.92Å; I411-F413 VanDerWaalsContact C-N 3.33Å; I411-F413 PolarHBondContact O-N 3.22Å; I411-N414 PolarHBondContact O-N 3.44Å; I411-N414 VanDerWaalsContact O-N 3.15Å; I411-F415 HydrophobicContact CB-CD2 4.49Å; I411-F415 HydrophobicContact CG2-CD2 3.92Å; I411-F415 WeakPolarHBondContact O-CB 3.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.27Å; I411-F415 PolarHBondContact O-N 3.3Å
412A80.9Confident71.8Confident61 Ų61115 Ų11550%0.50463%0.632SS.*Hα-helixtrans-58.6-42.6-179.800000112.5L408 L409 G416L408-A412 WeakPolarHBondContact O-CB 3.46Å; L408-A412 PolarHBondContact O-N 3.31Å; L409-A412 PolarHBondContact O-N 3.05Å; A412-G416 PolarHBondContact O-N 3.34Å
413F76.3Confident70.4Confident176 Ų176116 Ų11677%0.77264%0.64SS**Hα-helixtrans-71.4-26.7177.5-115.4-88000114.1L409 F410 I411L409-F413 HydrophobicContact CD1-CD2 4.32Å; L409-F413 WeakPolarHBondContact O-CB 3.36Å; L409-F413 PolarHBondContact O-N 3.44Å; F410-F413 PolarHBondContact O-N 3.18Å; I411-F413 VanDerWaalsContact C-N 3.33Å; I411-F413 PolarHBondContact O-N 3.22Å
414N72.8Confident68.8Low99 Ų99118 Ų11853%0.52965%0.653SS.*Hα-helixtrans-90.1-20.3177.8-77.6-94.4000113.4F410 I411F410-N414 WeakPolarHBondContact CE1-ND2 3.37Å; F410-N414 WeakPolarHBondContact O-CB 3.32Å; F410-N414 PolarHBondContact O-N 3.26Å; F410-N414 PolarHBondContact O-ND2 3.48Å; I411-N414 PolarHBondContact O-N 3.44Å; I411-N414 VanDerWaalsContact O-N 3.15Å
415F68.4Low67.3Low174 Ų174119.2 Ų119.276%0.76367%0.667SS**Hα-helixtrans-116.912.5-172-72.2-80.9000115.5I411I411-F415 HydrophobicContact CB-CD2 4.49Å; I411-F415 HydrophobicContact CG2-CD2 3.92Å; I411-F415 WeakPolarHBondContact O-CB 3.42Å; I411-F415 WeakPolarHBondContact O-CD2 3.27Å; I411-F415 PolarHBondContact O-N 3.3Å
416G59.4Low65Low43 Ų43118.1 Ų118.144%0.44368%0.677SS.*  trans-172.9156.2162.500000116.4A412A412-G416 PolarHBondContact O-N 3.34Å
417P53.1Low63.3Low115 Ų115119.7 Ų119.775%0.74769%0.689SS**SBendcis-111.9119.32.735.1-22.9000113.5
418V52Low60.6Low149 Ų149121 Ų12190%0.90370%0.7SS**  trans-129.267.3166.2-1700000109.7
419S52.7Low58.2Low114 Ų114120.9 Ų120.980%0.79771%0.709SS**  trans-162.465.6171.8-154.80000112.7
420I53.4Low56.2Low161 Ų161120.8 Ų120.883%0.82671%0.714SS**SBendtrans-139.742.8170-35.7177.8000111.9
421S49.9Very low53.4Low109 Ų109124.6 Ų124.676%0.76273%0.725SS**  trans-169.6103.2168.554.10000112.5
422E37.6Very low50.7Low179 Ų179129.1 Ų129.184%0.83675%0.747SS**  trans-175.1135139.1-15166.1-9500110.6
423P49.9Very low48.1Very low98 Ų98131.3 Ų131.364%0.63676%0.758SS**PPolyproline II helixtrans-91.9161.3164.711.57.2000112.4
424P45.8Very low45.8Very low131 Ų131133.1 Ų133.185%0.85176%0.76SS**PPolyproline II helixtrans-77.3134.7-173.729.9-34.9000114.2
425P54Low43.7Very low128 Ų128136 Ų13683%0.83177%0.77SS**PPolyproline II helixtrans-101.6161.8-179.738.3-35.3000115
426A36.3Very low42Very low96 Ų96133.7 Ų133.779%0.79376%0.762SS**  trans-151.9156.7175.600000110.6
427P52.4Low40.5Very low121 Ų121136.5 Ų136.579%0.78678%0.781SS**  -130.6156.5-118.641.6-30.4000117.6
428I33.7Very low39.8Very low168 Ų168140.9 Ų140.986%0.86278%0.782SS**  trans-138.6142.4158.1-71.196.4000109.4
429S35.8Very low39.6Very low104 Ų104138.6 Ų138.673%0.72777%0.77SS**  trans-119.9156.3157.583.20000108
430P43.5Very low39.2Very low104 Ų104143.6 Ų143.668%0.67577%0.772SS**  -157.6173.379.441.8-22.3000118.3
431R28.6Very low39.3Very low216 Ų216145.3 Ų145.382%0.81577%0.768SS**  trans66.8127143.8-84.8177.1174.3177.6-1.5122.2
432M28Very low38.5Very low166 Ų166147 Ų14782%0.81876%0.763SS**  trans69144.9132.1-70.8163.4146.900118.6
433S26.8Very low38.5Very low107 Ų107145.1 Ų145.175%0.74876%0.759SS**  cis-170.2179.6-1.344.50000111.1
434R26.8Very low37.7Very low214 Ų214147.4 Ų147.481%0.80877%0.765SS**  trans85.3115.9169.3-128.4157-159.8-178.23.2114.7
435E29.9Very low36.7Very low158 Ų158148.3 Ų148.374%0.73876%0.757SS**  62.4139.762.6-64.9179.7127.200113.5
436E32.2Very low35.7Very low126 Ų126150.7 Ų150.759%0.58976%0.755SS**  cis-167.4140.6-12.6178.374.6175.500107.6R438E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 IonicContact OE1-CZ 3.57Å; E436-R438 IonicContact OE1-NE 3.79Å; E436-R438 IonicContact OE1-NH1 2.69Å; E436-R438 PolarHBondContact OE1-NH1 2.8Å
437A28.3Very low35.5Very low102 Ų102151.3 Ų151.384%0.84375%0.754SS**  trans-152113.7169.600000112.8
438R38.5Very low34.3Very low208 Ų208154.3 Ų154.379%0.78576%0.757SS**  trans-146.6174.2-174.3-98.2179175.7141.5-11.2107.4E436E436-R438 WeakPolarHBondContact OE1-CD 3.4Å; E436-R438 IonicContact OE1-CZ 3.57Å; E436-R438 IonicContact OE1-NE 3.79Å; E436-R438 IonicContact OE1-NH1 2.69Å; E436-R438 PolarHBondContact OE1-NH1 2.8Å
439P48.4Very low34.1Very low100 Ų100154.9 Ų154.965%0.64976%0.756SS**  cis-143.6-158.1-18.832.9-8.3000114.1
440R42.4Very low33.7Very low219 Ų219152.9 Ų152.983%0.82675%0.752SS**  trans83145.5154.2-71.5167.8169.8173.8-3.8118
441R56.2Low33.5Very low197 Ų197154 Ų15474%0.74376%0.759SS**  cis-152-175.64-114.5169.3176.2176.9-0.1107.5
442H32.4Very low33.4Very low144 Ų144147.2 Ų147.267%0.66775%0.749SS**  cis-138.11674.2-107-96.4000107.4
443L38.7Very low33.5Very low141 Ų141148.6 Ų148.674%0.73875%0.754SS**  cis100.6782.9-163.488.2000118.8
444L32.5Very low33.5Very low146 Ų146146.6 Ų146.676%0.76475%0.749SS**  trans-162.3130.5143.1-90.7171.1000105.8
445E25.4Very low33.7Very low150 Ų150143 Ų14370%0.70175%0.751SS**  72.7127.956.3-134.5172.6175.300112.2
446F32Very low33.7Very low178 Ų178143.6 Ų143.678%0.78175%0.754SS**  cis-134.6-176.135.8-79.5-92.4000115.9
447S32.5Very low34.1Very low109 Ų109141.6 Ų141.676%0.76275%0.752SS**  trans-117.9164-176.876.30000113.6
448E28.1Very low34.2Very low184 Ų184143.1 Ų143.186%0.8675%0.745SS**  trans-144.4112.6149.3-139.6163.6-141.100113.9
449Q29.6Very low33.9Very low179 Ų179140.3 Ų140.384%0.83674%0.741SS**  trans40.6132.4144.5-134.9149.311.300123.3
450G26.6Very low32.8Very low63 Ų63144.4 Ų144.465%0.64975%0.749SS**  trans-96.9-152.6161.400000112.4
451P40Very low32Very low126 Ų126138.1 Ų138.182%0.81874%0.743SS**  cis-144.4178.610.845-27000117.5
452A26.6Very low30.6Very low74 Ų74133.4 Ų133.461%0.61275%0.746SS**  trans68.2146.3141.900000123.2
453H28.8Very low30.4Very low196 Ų196138.7 Ų138.791%0.90776%0.76SS**  trans70.8134173.9-50-72.8000116.5
454G26.5Very low29.8Very low64 Ų64135.3 Ų135.366%0.6676%0.76SS**  cis154.9166.9-400000111.6
455V32.9Very low30.1Very low139 Ų139134.1 Ų134.184%0.84276%0.761SS**  trans69.986.1170.6-167.90000115.9
456E29.2Very low30.1Very low171 Ų171135.1 Ų135.180%0.79977%0.765SS**  -55.6146.4128-108.2-86.6116.600107.5
457P41.3Very low29.9Very low84 Ų84133 Ų13355%0.54576%0.758SS.*  -156.7-173.857.144.4-24.2000118.6
458L30.2Very low29.6Very low134 Ų134136.8 Ų136.870%0.70276%0.755SS**  trans74.6133.8150.4-101.755.4000117.1
459Q30.6Very low29.7Very low148 Ų148136.5 Ų136.569%0.69275%0.754SS**  cis-160.3160.2-9.4-136.7-17963.500111.7
460K26.3Very low29.7Very low187 Ų187134 Ų13481%0.81375%0.753SS**  trans12.3142.5144.3-77.3-179.9175174.70120
461A26.2Very low29.7Very low87 Ų87135.9 Ų135.972%0.71976%0.757SS**  cis-170.2167.82.600000113.9
462A26.7Very low29.7Very low97 Ų97136.2 Ų136.280%0.80276%0.759SS**  trans58.1103.2142.200000120.4
463R27.2Very low29.9Very low256 Ų256137.9 Ų137.997%0.96677%0.772SS**  trans-135.8121.8130.6-85.9-164.2177-172.60.3112.2
464G25.7Very low29.9Very low70 Ų70132.1 Ų132.172%0.72277%0.766SS**  trans-131.2-171.9138.100000107.2
465P39.9Very low30.2Very low121 Ų121140.7 Ų140.779%0.78678%0.779SS**  cis-130.3-156.83.339.2-19.8000113.1
466E26.1Very low30Very low170 Ų170139.4 Ų139.479%0.79477%0.773SS**  trans72.278.4159.3-68.2-165.3107.500121.2
467E26.6Very low30Very low135 Ų135136.4 Ų136.463%0.63177%0.771SS**  -22.6123.5119.5-174.1-144.9165.400116.9
468R25.6Very low29.3Very low188 Ų188141.5 Ų141.571%0.70979%0.785SS**  -178.4154.1120.7-101165.5-17069.119115.9
469Q30.5Very low29.3Very low178 Ų178145.6 Ų145.683%0.83279%0.791SS**  trans-74.9166.8168.8-71-174.2-15.200112.6
470P30.7Very low29.3Very low125 Ų125145 Ų14581%0.81279%0.792SS**  -130.5173.3121.237.8-31.1000115.3
471S27.2Very low29.6Very low104 Ų104143.4 Ų143.473%0.72779%0.792SS**  trans-75.9163.1-167.2-46.60000116.1
472P39.9Very low29.7Very low133 Ų133144.2 Ų144.286%0.86479%0.788SS**  trans-82.8121.9-179.432.1-34.4000113.8
473A30.1Very low29.8Very low108 Ų108143.9 Ų143.989%0.89379%0.786SS**  trans-152.2121.2165.700000111.1
474G27.6Very low30.2Very low76 Ų76141 Ų14178%0.78478%0.781SS**  trans16970.1-17900000115.5
475R32.8Very low30.6Very low244 Ų244143.6 Ų143.692%0.92179%0.785SS**  trans-71.5127.9168.7-77.4-179.9170.3179.6-4110.3S477R475-S477 PolarHBondContact O-N 2.84Å
476P30.6Very low30.6Very low112 Ų112142 Ų14273%0.72779%0.79SS**  trans-69.1122.3165.528.2-32.2000109.9F478P476-F478 PolarHBondContact O-N 3.2Å
477S27.5Very low31.3Very low108 Ų108137.8 Ų137.876%0.75579%0.792SS**  trans-86.7108179.1-175.90000110.9R475 R479R475-S477 PolarHBondContact O-N 2.84Å; S477-R479 PolarHBondContact O-N 3.31Å
478F27Very low31.9Very low190 Ų190135.8 Ų135.883%0.83380%0.799SS**  trans-68.199.7171-88-90.9000111P476 N480P476-F478 PolarHBondContact O-N 3.2Å; F478-N480 PolarHBondContact O-N 3.06Å
479R30.4Very low32.6Very low220 Ų220135.5 Ų135.583%0.8380%0.803SS**  trans-75.2100.5170.8-91.7-176161.3-175.6-5111.2S477 L481S477-R479 PolarHBondContact O-N 3.31Å; R479-L481 PolarHBondContact O-N 2.84Å; R479-L481 VanDerWaalsContact O-N 3.13Å
480N29.7Very low33.2Very low135 Ų135135.9 Ų135.972%0.72281%0.805SS**  trans-69.3100.2164.2-99.8-73.7000110.5F478 T482F478-N480 PolarHBondContact O-N 3.06Å; N480-T482 VanDerWaalsContact C-N 3.35Å; N480-T482 PolarHBondContact O-N 2.91Å
481L33.1Very low33.8Very low155 Ų155136.8 Ų136.881%0.81280%0.802SS**  trans-89.568.2170-71.9175.5000110.9R479R479-L481 PolarHBondContact O-N 2.84Å; R479-L481 VanDerWaalsContact O-N 3.13Å
482T29.6Very low34.8Very low103 Ų103138.8 Ų138.863%0.63280%0.804SS**  trans-100.569.4171.735.50000111.4N480N480-T482 VanDerWaalsContact C-N 3.35Å; N480-T482 PolarHBondContact O-N 2.91Å
483A28.2Very low35.1Very low91 Ų91139.6 Ų139.675%0.75280%0.8SS**  trans-11188174.600000110.7
484F34.3Very low35.8Very low195 Ų195142.6 Ų142.686%0.85579%0.788SS**PPolyproline II helixtrans-83.5124.9167.9-86.3-84.2000110.3G486F484-G486 PolarHBondContact O-N 3.31Å
485P34.6Very low36.5Very low124 Ų124144 Ų14481%0.80578%0.778SS**PPolyproline II helixtrans-62.2129.4159-17.431.7000109.3
486G40.3Very low37.3Very low88 Ų88136.6 Ų136.691%0.90776%0.756SS**SBendtrans-76.2127.6-179.900000112F484F484-G486 PolarHBondContact O-N 3.31Å
487G40.3Very low38Very low81 Ų81135 Ų13584%0.83574%0.741SS**  trans172.829.717800000117.8
488A38.9Very low38.8Very low94 Ų94136.5 Ų136.578%0.77774%0.736SS**  trans-15462.4-177.100000113.2
489K41.5Very low39.6Very low182 Ų182133.1 Ų133.179%0.79173%0.727SS**  trans-109.45.2-174.5-97-159.8169.6-154.70116.7
490E43.8Very low40.3Very low186 Ų186130.6 Ų130.687%0.86972%0.722SS**SBendtrans-130.76.9-158.4-154.6152-145.600115.1
491L42Very low41.3Very low144 Ų144130.6 Ų130.675%0.75472%0.721SS**SBendtrans-1232.2-175.1-65.2177000115.4
492L49Very low41.9Very low146 Ų146127.3 Ų127.376%0.76472%0.716SS**SBendtrans-109.647.2-173.8-64.6179.2000113.6
493L45.4Very low42.3Very low149 Ų149125.8 Ų125.878%0.7871%0.71SS**SBendtrans-143.2-22.8171.5-147.872.2000115.1
494R44.2Very low43.1Very low172 Ų172127.7 Ų127.765%0.64971%0.707SS**SBendtrans-86.1-32.3177.1-85.5-90.569.6-178.72.3114.3D497R494-D497 IonicContact CZ-OD2 3.64Å; R494-D497 IonicContact NE-OD2 3.79Å; R494-D497 IonicContact NH2-OD2 2.7Å; R494-D497 PolarHBondContact NH2-OD2 2.96Å
495D42.7Very low43.5Very low105 Ų105122.9 Ų122.956%0.56170%0.697SS**Hα-helixtrans-83.3-22.2-170-65.55.4000112.9
496L49.8Very low44.2Very low89 Ų89126.4 Ų126.447%0.46669%0.694SS.*Hα-helixtrans-70.5-39.1176.3-81.776.3000111.9Q498 L499 F500L496-Q498 PolarHBondContact O-N 3.49Å; L496-L499 PolarHBondContact O-N 3.15Å; L496-L499 VanDerWaalsContact O-N 3.08Å; L496-F500 VanDerWaalsContact O-CD2 3.3Å; L496-F500 WeakPolarHBondContact O-CD2 3.45Å; L496-F500 PolarHBondContact O-N 2.85Å
497D45.6Very low45Very low77 Ų77131.2 Ų131.241%0.41269%0.692SS.*Hα-helixtrans-51.8-42176-77.2-21.2000112R494 L499 L501R494-D497 IonicContact CZ-OD2 3.64Å; R494-D497 IonicContact NE-OD2 3.79Å; R494-D497 IonicContact NH2-OD2 2.7Å; R494-D497 PolarHBondContact NH2-OD2 2.96Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 2.82Å; D497-L501 WeakPolarHBondContact O-CG 3.38Å; D497-L501 PolarHBondContact O-N 3.35Å
498Q43.8Very low45.6Very low140 Ų140134.2 Ų134.265%0.65468%0.683SS**Hα-helixtrans-71.5-27.6-177-69.2-167.7-11.900112.9L496 A502L496-Q498 PolarHBondContact O-N 3.49Å; Q498-A502 VanDerWaalsContact O-CB 3.25Å; Q498-A502 WeakPolarHBondContact O-CB 3.48Å; Q498-A502 PolarHBondContact O-N 2.91Å
499L45.3Very low47.1Very low120 Ų120134.4 Ų134.463%0.62867%0.671SS**Hα-helixtrans-75.9-37.4177.7-64.7172.2000112L496 D497 S503L496-L499 PolarHBondContact O-N 3.15Å; L496-L499 VanDerWaalsContact O-N 3.08Å; D497-L499 VanDerWaalsContact C-N 3.34Å; D497-L499 PolarHBondContact O-N 2.82Å; L499-S503 PolarHBondContact O-OG 2.74Å
500F45.1Very low48.5Very low167 Ų167134.7 Ų134.773%0.73267%0.667SS**Hα-helixtrans-73.5-24.5175.3-72.2-68.9000113.6L496L496-F500 VanDerWaalsContact O-CD2 3.3Å; L496-F500 WeakPolarHBondContact O-CD2 3.45Å; L496-F500 PolarHBondContact O-N 2.85Å
501L50.7Low50.2Low135 Ų135130 Ų13071%0.70765%0.651SS**Hα-helixtrans-86.3-18.4176.5-74.7168.3000114.5D497D497-L501 WeakPolarHBondContact O-CG 3.38Å; D497-L501 PolarHBondContact O-N 3.35Å
502A45Very low51.5Low86 Ų86127.2 Ų127.271%0.71163%0.634SS**SBendtrans-99.3-3.1-173.700000114.9Q498Q498-A502 VanDerWaalsContact O-CB 3.25Å; Q498-A502 WeakPolarHBondContact O-CB 3.48Å; Q498-A502 PolarHBondContact O-N 2.91Å
503S37.8Very low53.1Low70 Ų70122.6 Ų122.649%0.4961%0.614SS.*SBendtrans-102.7126.9-179.2-55.60000110.6L499 C505L499-S503 PolarHBondContact O-OG 2.74Å; S503-C505 VanDerWaalsContact CB-SG 3.54Å; S503-C505 PolarHBondContact O-N 2.91Å
504D44.8Very low54.8Low132 Ų132120.6 Ų120.671%0.70660%0.603SS**  trans-75.551.4-178.9-129.5-54000111.9R506D504-R506 VanDerWaalsContact C-N 3.26Å; D504-R506 PolarHBondContact O-N 2.97Å; D504-R506 IonicContact OD1-CZ 2.91Å; D504-R506 IonicContact OD1-NE 3.35Å; D504-R506 PolarHBondContact OD1-NE 2.93Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 PolarHBondContact OD1-NH2 3.2Å
505C42.5Very low56.9Low93 Ų93119.3 Ų119.363%0.62860%0.599SS**  trans-77.464-174.9-67.60000112.3S503 H507 F508S503-C505 VanDerWaalsContact CB-SG 3.54Å; S503-C505 PolarHBondContact O-N 2.91Å; C505-H507 PolarHBondContact O-N 3.45Å; C505-F508 PolarHBondContact O-N 3.46Å
506R49.5Very low59Low199 Ų199118 Ų11875%0.75159%0.591SS**THydrogen-bonded Turntrans-64.511.7-174.4-61.9-165.1-178.4-163.41.6117.1D504D504-R506 VanDerWaalsContact C-N 3.26Å; D504-R506 PolarHBondContact O-N 2.97Å; D504-R506 IonicContact OD1-CZ 2.91Å; D504-R506 IonicContact OD1-NE 3.35Å; D504-R506 PolarHBondContact OD1-NE 2.93Å; D504-R506 IonicContact OD1-NH2 2.73Å; D504-R506 PolarHBondContact OD1-NH2 3.2Å
507H57Low60.9Low189 Ų189116.3 Ų116.388%0.87559%0.59SS**THydrogen-bonded Turntrans-130.48.8-176.2-58.4117.8000114.4C505C505-H507 PolarHBondContact O-N 3.45Å
508F53.7Low62.8Low143 Ų143118.1 Ų118.163%0.62760%0.6SS**SBendtrans-103.9126.3170.1-124.3-87.5000111C505 R510 L516C505-F508 PolarHBondContact O-N 3.46Å; F508-R510 PolarHBondContact O-N 3.37Å; F508-L516 HydrophobicContact CE1-CD1 4.22Å
509N70.6Confident65.1Low99 Ų99116.1 Ų116.153%0.52959%0.59SS.*  trans-69.2124.3176-174.20.7000109.6T511 E512 S513N509-T511 VanDerWaalsContact C-N 3.28Å; N509-T511 PolarHBondContact ND2-OG1 3.23Å; N509-T511 PolarHBondContact O-N 2.93Å; N509-T511 PolarHBondContact OD1-N 2.98Å; N509-T511 PolarHBondContact OD1-OG1 3.06Å; N509-E512 HydrophobicContact CB-CB 4.25Å; N509-E512 HydrophobicContact CB-CG 4.19Å; N509-E512 PolarHBondContact O-N 2.77Å; N509-S513 PolarHBondContact O-N 2.86Å
510R70.4Confident67.1Low188 Ų188115.8 Ų115.871%0.70959%0.589SS**Hα-helixtrans-62.2-34.9-173.1-168.1171.6-178.1164.81112.5F508 S513 L514F508-R510 PolarHBondContact O-N 3.37Å; R510-S513 WeakPolarHBondContact CA-OG 3.25Å; R510-S513 PolarHBondContact O-OG 2.85Å; R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 3.26Å
511T78.9Confident69.1Low88 Ų88111.1 Ų111.154%0.5458%0.577SS.*Hα-helixtrans-68.1-43.2176.354.50000111.8N509 L514 R515N509-T511 VanDerWaalsContact C-N 3.28Å; N509-T511 PolarHBondContact ND2-OG1 3.23Å; N509-T511 PolarHBondContact O-N 2.93Å; N509-T511 PolarHBondContact OD1-N 2.98Å; N509-T511 PolarHBondContact OD1-OG1 3.06Å; T511-L514 PolarHBondContact O-N 3.31Å; T511-R515 WeakPolarHBondContact O-CB 3.49Å; T511-R515 PolarHBondContact O-N 2.87Å
512E69.9Low70.8Confident85 Ų85105.9 Ų105.940%0.39756%0.555SS.*Hα-helixtrans-64.6-41175.8-69.5-54.8128.600111.7N509 L514 R515 L516N509-E512 HydrophobicContact CB-CB 4.25Å; N509-E512 HydrophobicContact CB-CG 4.19Å; N509-E512 PolarHBondContact O-N 2.77Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 2.9Å; E512-R515 PolarHBondContact O-N 2.99Å; E512-L516 WeakPolarHBondContact O-CB 3.41Å; E512-L516 VanDerWaalsContact O-CG 3.27Å; E512-L516 WeakPolarHBondContact O-CG 3.3Å; E512-L516 PolarHBondContact O-N 2.99Å
513S83.3Confident72.7Confident49 Ų49109 Ų10934%0.34355%0.549SS..Hα-helixtrans-62.1-35.1175.762.60000113.3N509 R510 A517N509-S513 PolarHBondContact O-N 2.86Å; R510-S513 WeakPolarHBondContact CA-OG 3.25Å; R510-S513 PolarHBondContact O-OG 2.85Å; S513-A517 WeakPolarHBondContact O-CB 3.47Å; S513-A517 PolarHBondContact O-N 3.21Å; S513-A517 VanDerWaalsContact O-N 3.11Å
514L79.7Confident75.3Confident106 Ų106109.2 Ų109.256%0.55555%0.547SS*.Hα-helixtrans-71.2-47175-76.1164.3000111.1R510 T511 E512 L516 A517 D518R510-L514 WeakPolarHBondContact O-CG 3.3Å; R510-L514 PolarHBondContact O-N 3.26Å; T511-L514 PolarHBondContact O-N 3.31Å; E512-L514 VanDerWaalsContact C-N 3.29Å; E512-L514 PolarHBondContact O-N 2.9Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 3.28Å; L514-A517 WeakPolarHBondContact O-CB 3.17Å; L514-A517 PolarHBondContact O-N 3.39Å; L514-A517 VanDerWaalsContact O-N 3.16Å; L514-D518 PolarHBondContact O-N 3.48Å
515R88.4Confident76.9Confident145 Ų145108.1 Ų108.155%0.54754%0.538SS..Hα-helixtrans-56.7-47.3176.2-178.3-175.7170.8153.84.5111.9T511 E512 A517 D518 E519T511-R515 WeakPolarHBondContact O-CB 3.49Å; T511-R515 PolarHBondContact O-N 2.87Å; E512-R515 PolarHBondContact O-N 2.99Å; R515-A517 VanDerWaalsContact C-N 3.34Å; R515-A517 PolarHBondContact O-N 3.47Å; R515-D518 PolarHBondContact O-N 2.89Å; R515-E519 IonicContact CZ-OE1 3.67Å; R515-E519 VanDerWaalsContact CZ-OE1 3.3Å; R515-E519 IonicContact NE-OE1 2.91Å; R515-E519 PolarHBondContact NE-OE1 3.45Å; R515-E519 IonicContact NH2-OE1 3.5Å; R515-E519 PolarHBondContact NH2-OE1 3.1Å; R515-E519 WeakPolarHBondContact O-CG 3.27Å; R515-E519 PolarHBondContact O-N 3.1Å
516L87.4Confident78.9Confident79 Ų79111.8 Ų111.841%0.41454%0.538SS..Hα-helixtrans-64.6-37.5178-71168.6000111.8F508 E512 L514 L520F508-L516 HydrophobicContact CE1-CD1 4.22Å; E512-L516 WeakPolarHBondContact O-CB 3.41Å; E512-L516 VanDerWaalsContact O-CG 3.27Å; E512-L516 WeakPolarHBondContact O-CG 3.3Å; E512-L516 PolarHBondContact O-N 2.99Å; L514-L516 VanDerWaalsContact C-N 3.35Å; L514-L516 PolarHBondContact O-N 3.28Å; L516-L520 VanDerWaalsContact O-CB 3.26Å; L516-L520 WeakPolarHBondContact O-CB 3.39Å; L516-L520 WeakPolarHBondContact O-CD1 3.45Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 2.94Å
517A89.6Confident80.1Confident53 Ų53107 Ų10744%0.43852%0.524SS..Hα-helixtrans-63.7-42.3173.700000112.1S513 L514 R515 S521S513-A517 WeakPolarHBondContact O-CB 3.47Å; S513-A517 PolarHBondContact O-N 3.21Å; S513-A517 VanDerWaalsContact O-N 3.11Å; L514-A517 WeakPolarHBondContact O-CB 3.17Å; L514-A517 PolarHBondContact O-N 3.39Å; L514-A517 VanDerWaalsContact O-N 3.16Å; R515-A517 VanDerWaalsContact C-N 3.34Å; R515-A517 PolarHBondContact O-N 3.47Å; A517-S521 WeakPolarHBondContact O-CB 3.46Å; A517-S521 PolarHBondContact O-N 3.45Å
518D86.1Confident81.2Confident115 Ų115102.7 Ų102.762%0.61550%0.504SS*.Hα-helixtrans-65.7-45.9175.7-80-22.9000112L514 R515 L520 S521 G522L514-D518 PolarHBondContact O-N 3.48Å; R515-D518 PolarHBondContact O-N 2.89Å; D518-L520 PolarHBondContact O-N 2.87Å; D518-S521 PolarHBondContact O-N 3.4Å; D518-S521 PolarHBondContact O-OG 2.98Å; D518-G522 PolarHBondContact O-N 3.29Å
519E90.9Very high81.9Confident97 Ų97103.4 Ų103.445%0.45350%0.503SS..Hα-helixtrans-61.9-40.9176.8-73.9-173.3-161.200112R515 G522 W523R515-E519 IonicContact CZ-OE1 3.67Å; R515-E519 VanDerWaalsContact CZ-OE1 3.3Å; R515-E519 IonicContact NE-OE1 2.91Å; R515-E519 PolarHBondContact NE-OE1 3.45Å; R515-E519 IonicContact NH2-OE1 3.5Å; R515-E519 PolarHBondContact NH2-OE1 3.1Å; R515-E519 WeakPolarHBondContact O-CG 3.27Å; R515-E519 PolarHBondContact O-N 3.1Å; E519-G522 PolarHBondContact O-N 3.25Å; E519-W523 WeakPolarHBondContact O-CB 3.43Å; E519-W523 PolarHBondContact O-N 2.85Å
520L87.9Confident81.7Confident114 Ų114100.9 Ų100.960%0.59750%0.501SS*.Hα-helixtrans-64.7-42.1172.3-75168.9000112L516 D518 G522 W523 V524L516-L520 VanDerWaalsContact O-CB 3.26Å; L516-L520 WeakPolarHBondContact O-CB 3.39Å; L516-L520 WeakPolarHBondContact O-CD1 3.45Å; L516-L520 WeakPolarHBondContact O-CG 3.37Å; L516-L520 PolarHBondContact O-N 2.94Å; D518-L520 PolarHBondContact O-N 2.87Å; L520-G522 VanDerWaalsContact C-N 3.33Å; L520-G522 PolarHBondContact O-N 3Å; L520-W523 WeakPolarHBondContact O-CB 3.08Å; L520-W523 PolarHBondContact O-N 3.26Å; L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 2.96Å
521S87.8Confident81.2Confident69 Ų69101.1 Ų101.148%0.48350%0.502SS..Hα-helixtrans-62.2-42.4176.5880000111.1A517 D518 V524 Q525A517-S521 WeakPolarHBondContact O-CB 3.46Å; A517-S521 PolarHBondContact O-N 3.45Å; D518-S521 PolarHBondContact O-N 3.4Å; D518-S521 PolarHBondContact O-OG 2.98Å; S521-V524 PolarHBondContact O-N 2.96Å; S521-Q525 WeakPolarHBondContact O-CB 3.4Å; S521-Q525 PolarHBondContact O-N 2.95Å
522G86.6Confident80.1Confident25 Ų25106.1 Ų106.126%0.25851%0.511SS..Hα-helixtrans-67.7-32.1175.500000113D518 E519 L520 R526D518-G522 PolarHBondContact O-N 3.29Å; E519-G522 PolarHBondContact O-N 3.25Å; L520-G522 VanDerWaalsContact C-N 3.33Å; L520-G522 PolarHBondContact O-N 3Å; G522-R526 WeakPolarHBondContact O-CB 3.44Å; G522-R526 VanDerWaalsContact O-CG 3.24Å; G522-R526 WeakPolarHBondContact O-CG 3.34Å; G522-R526 PolarHBondContact O-N 3.09Å; G522-R526 PolarHBondContact O-NE 2.98Å
523W85Confident79.2Confident151 Ų151112.7 Ų112.757%0.57253%0.532SS*.Hα-helixtrans-67.1-51.2170.8-173.893.7000111.5E519 L520 Q525 R526 H527E519-W523 WeakPolarHBondContact O-CB 3.43Å; E519-W523 PolarHBondContact O-N 2.85Å; L520-W523 WeakPolarHBondContact O-CB 3.08Å; L520-W523 PolarHBondContact O-N 3.26Å; W523-Q525 VanDerWaalsContact C-N 3.29Å; W523-Q525 PolarHBondContact O-N 3.45Å; W523-R526 PolarHBondContact O-N 2.93Å; W523-H527 WeakPolarHBondContact O-CB 3.5Å; W523-H527 PolarHBondContact O-N 3.27Å
524V90.4Very high77.2Confident74 Ų74117.9 Ų117.945%0.44855%0.552SS.*Hα-helixtrans-58.1-42.7176.9170.70000110.9L520 S521 H527 Q528L520-V524 WeakPolarHBondContact O-CG2 3.25Å; L520-V524 PolarHBondContact O-N 2.96Å; S521-V524 PolarHBondContact O-N 2.96Å; V524-H527 PolarHBondContact O-N 3.43Å; V524-Q528 VanDerWaalsContact O-CB 3.27Å; V524-Q528 WeakPolarHBondContact O-CB 3.45Å; V524-Q528 PolarHBondContact O-N 3.35Å
525Q79.6Confident75.4Confident109 Ų109118.5 Ų118.551%0.50956%0.563SS.*Hα-helixtrans-69.9-38.3-179.9-151.7-166.778.300112.2S521 W523 Q528 R529S521-Q525 WeakPolarHBondContact O-CB 3.4Å; S521-Q525 PolarHBondContact O-N 2.95Å; W523-Q525 VanDerWaalsContact C-N 3.29Å; W523-Q525 PolarHBondContact O-N 3.45Å; Q525-Q528 PolarHBondContact O-N 3.3Å; Q525-R529 WeakPolarHBondContact O-CB 3.32Å; Q525-R529 VanDerWaalsContact O-CG 3.24Å; Q525-R529 WeakPolarHBondContact O-CG 3.39Å; Q525-R529 PolarHBondContact O-N 2.9Å
526R83.8Confident73.4Confident170 Ų170120.4 Ų120.464%0.64258%0.578SS**Hα-helixtrans-61.5-49.4171.8-79.1178.1-72.4-179.6-1.5111.4G522 W523 Q528 R529 G530G522-R526 WeakPolarHBondContact O-CB 3.44Å; G522-R526 VanDerWaalsContact O-CG 3.24Å; G522-R526 WeakPolarHBondContact O-CG 3.34Å; G522-R526 PolarHBondContact O-N 3.09Å; G522-R526 PolarHBondContact O-NE 2.98Å; W523-R526 PolarHBondContact O-N 2.93Å; R526-Q528 VanDerWaalsContact C-N 3.34Å; R526-Q528 PolarHBondContact O-N 3.31Å; R526-R529 PolarHBondContact O-N 2.95Å; R526-G530 PolarHBondContact O-N 3.49Å
527H75.5Confident71.2Confident99 Ų99128 Ų12846%0.45860%0.601SS.*Hα-helixtrans-59.9-40.9177.2177.5-131.9000112.3W523 V524 G530 R531W523-H527 WeakPolarHBondContact O-CB 3.5Å; W523-H527 PolarHBondContact O-N 3.27Å; V524-H527 PolarHBondContact O-N 3.43Å; H527-G530 PolarHBondContact O-N 3.47Å; H527-R531 PolarHBondContact O-N 3.47Å
528Q79.4Confident68.9Low98 Ų98130.5 Ų130.546%0.45862%0.621SS.*Hα-helixtrans-73.9-31178.1-161.5175.9117.300113.4V524 Q525 R526V524-Q528 VanDerWaalsContact O-CB 3.27Å; V524-Q528 WeakPolarHBondContact O-CB 3.45Å; V524-Q528 PolarHBondContact O-N 3.35Å; Q525-Q528 PolarHBondContact O-N 3.3Å; R526-Q528 VanDerWaalsContact C-N 3.34Å; R526-Q528 PolarHBondContact O-N 3.31Å
529R69.3Low66.7Low158 Ų158134 Ų13460%0.59663%0.634SS**Hα-helixtrans-67.3-39.2168.4-73.4175.5-168.3-1418.6111.1Q525 R526 R532Q525-R529 WeakPolarHBondContact O-CB 3.32Å; Q525-R529 VanDerWaalsContact O-CG 3.24Å; Q525-R529 WeakPolarHBondContact O-CG 3.39Å; Q525-R529 PolarHBondContact O-N 2.9Å; R526-R529 PolarHBondContact O-N 2.95Å; R529-R532 PolarHBondContact O-N 2.94Å
530G65.3Low64.3Low47 Ų47138.2 Ų138.249%0.48565%0.653SS.*Hα-helixtrans-55.6-51.9175.400000112.7R526 H527 R532 R533R526-G530 PolarHBondContact O-N 3.49Å; H527-G530 PolarHBondContact O-N 3.47Å; G530-R532 PolarHBondContact O-N 3.37Å; G530-R533 PolarHBondContact O-N 2.89Å
531R61.1Low62.1Low192 Ų192144.6 Ų144.673%0.72567%0.67SS**THydrogen-bonded Turntrans-59.5-18.5175.3-75.3-158.1-175.9-134.26.7114.8H527H527-R531 PolarHBondContact O-N 3.47Å
532R55.8Low59.7Low194 Ų194150.9 Ų150.973%0.73269%0.691SS**THydrogen-bonded Turntrans-92.2-1.6-178.3-79.1-177.9159.6-159.9-9.9114.6R529 G530R529-R532 PolarHBondContact O-N 2.94Å; G530-R532 PolarHBondContact O-N 3.37Å
533R51.4Low57.3Low222 Ų222159.9 Ų159.984%0.83872%0.723SS**  trans-100.211.8179.7-76.4-167169.5-158.6-2115.4G530G530-R533 PolarHBondContact O-N 2.89Å
534M40Very low54.8Low158 Ų158157.5 Ų157.578%0.77873%0.73SS**SBendtrans-80.7121.7173-60-60-78.600110.7H536M534-H536 PolarHBondContact O-N 3.03Å
535P42.6Very low52.1Low120 Ų120162.5 Ų162.578%0.77975%0.748SS**  trans-76.4111.2-175.529.1-34000112.3R537P535-R537 PolarHBondContact O-N 2.89Å; P535-R537 VanDerWaalsContact O-N 3.1Å
536H45.8Very low49.9Very low184 Ų184165.6 Ų165.685%0.85277%0.767SS**  trans-84.579.5-176.4-163.4-69000112.5M534M534-H536 PolarHBondContact O-N 3.03Å
537R41.1Very low47.5Very low240 Ų240168.6 Ų168.691%0.90678%0.779SS**  trans-123.8156172.1-107.8-175.5172.8-172.5-1.9112.1P535P535-R537 PolarHBondContact O-N 2.89Å; P535-R537 VanDerWaalsContact O-N 3.1Å
538A41Very low45.6Very low104 Ų104173.1 Ų173.186%0.8680%0.797SS**  trans73.264.9177.800000117.9
539Q41.2Very low43.4Very low188 Ų188178.1 Ų178.188%0.87982%0.817SS**  trans-139.945.1151.5-153.4-176.54.500113.6
540E39.5Very low41.7Very low186 Ų186176 Ų17687%0.86983%0.826SS**  trans-139.171.8174.9-167.7174.2-143.800111.9
541R40.9Very low40.8Very low249 Ų249179.2 Ų179.294%0.9484%0.839SS**  trans-174.679163-109.3161-175.8-111.40.1112.9
542Q39.3Very low40.3Very low200 Ų200174.9 Ų174.994%0.93584%0.836SS**  trans-175.692.6150.1-108.41747.400111
543K35.6Very low39.2Very low214 Ų214171.9 Ų171.993%0.9384%0.839SS**  trans-158.772.8170.2-117.1-179.4-174.5179.20111.9
544S31.8Very low38.4Very low101 Ų101170.5 Ų170.571%0.70684%0.839SS**  trans-162.8145.8170.457.50000111
545Q34.8Very low38.4Very low180 Ų180168 Ų16884%0.84183%0.834SS**  trans64.5128.7-170.6-36.6-56.1-2.500112.2
546L32.8Very low37.8Very low173 Ų173168.5 Ų168.591%0.90684%0.835SS**  cis-142.9150.733.7-173.868.2000111.7
547R33.8Very low37.5Very low234 Ų234165.5 Ų165.588%0.88383%0.832SS**  trans-146.9121.2175.4-173.5-170.7-171.6-144.84.5112.4
548K34.8Very low37.1Very low194 Ų194160.3 Ų160.384%0.84383%0.827SS**  trans156.9152.1163.1-87.2147.3-172.9179.50107.3
549K33.4Very low36.9Very low203 Ų203163.9 Ų163.988%0.88383%0.826SS**  cis-165.2143.1-26.5-110.7-172.9178.3-172.50105.6
550S34.1Very low36.9Very low112 Ų112160.3 Ų160.378%0.78382%0.819SS**  trans-94.3165.2172.956.30000112.1
551P46.3Very low36.9Very low115 Ų115157.4 Ų157.475%0.74782%0.816SS**  -155.4-156.197.242.2-21.6000113.1
552P49.6Very low36.8Very low102 Ų102148.4 Ų148.466%0.66280%0.801SS**  cis-134.5151.3-3823.3-1.5000117.1
553V33.3Very low37Very low131 Ų131144.8 Ų144.879%0.79480%0.795SS**  trans70.7150.1136.9176.40000118.2
554K34.6Very low37.2Very low193 Ų193140.2 Ų140.284%0.83979%0.787SS**  cis-139.7-166.423-131.6148.8-175-1770110.8
555P40.4Very low37.5Very low104 Ų104144.6 Ų144.668%0.67580%0.796SS**  trans-140.4-171.6-130.533.7-5.7000118.9
556V29.7Very low37.5Very low131 Ų131146.8 Ų146.879%0.79480%0.797SS**  trans77144.4159.7-168.90000117.7
557P40.4Very low38Very low122 Ų122145.6 Ų145.679%0.79279%0.791SS**  cis-120.2177.4-19.534.3-17.1000115.3
558T31.3Very low38.4Very low131 Ų131138.2 Ų138.280%0.80477%0.773SS**  trans-71.7142.7-177.4-38.80000116.3
559Q37.1Very low38.5Very low179 Ų179135.7 Ų135.784%0.83677%0.774SS**  trans-124.2149.7137-79.7-161.910.600109.2
560P40.5Very low39.4Very low113 Ų113129.8 Ų129.873%0.73477%0.771SS**PPolyproline II helixtrans-76.7128.8-176.129.9-33.6000111.7
561P40.7Very low39.8Very low124 Ų124130 Ų13081%0.80576%0.76SS**PPolyproline II helixtrans-70.7139.2168.828.7-31.3000110.3
562G37.5Very low39.8Very low60 Ų60129 Ų12962%0.61975%0.747SS**PPolyproline II helixtrans-62.9156.8170.400000111.9
563P43.9Very low39.6Very low125 Ų125130.1 Ų130.181%0.81274%0.744SS**PPolyproline II helixtrans-62.5142.8177.827.8-34.6000110.6E565P563-E565 PolarHBondContact O-N 3.38Å
564P40.5Very low40.4Very low117 Ų117130.3 Ų130.376%0.7674%0.739SS**PPolyproline II helixtrans-64.1137.5-177.526.3-34.5000111.4R566P564-R566 PolarHBondContact O-N 3.3Å
565E37.3Very low40.7Very low194 Ų194128.6 Ų128.691%0.90773%0.729SS**PPolyproline II helixtrans-57.4125.7173.1-170.6164-160.500109.9P563P563-E565 PolarHBondContact O-N 3.38Å
566R36.3Very low40.6Very low226 Ų226132.3 Ų132.385%0.85373%0.729SS**PPolyproline II helixtrans-101.6119177.3-72.1-177.7174.9-179.7-1.7108.7P564 P568P564-R566 PolarHBondContact O-N 3.3Å; R566-P568 WeakPolarHBondContact O-CD 3.37Å; R566-P568 VanDerWaalsContact O-N 3.11Å
567D43Very low41.4Very low148 Ų148134 Ų13479%0.79173%0.728SS**  trans-49112172.5-70.1-63000111.8V569D567-V569 VanDerWaalsContact C-N 3.33Å; D567-V569 PolarHBondContact O-N 3.06Å
568P41.2Very low41.6Very low78 Ų78132.1 Ų132.151%0.50672%0.716SS.*  trans-87.972.3-178.634.7-31.9000110.3R566 G570R566-P568 WeakPolarHBondContact O-CD 3.37Å; R566-P568 VanDerWaalsContact O-N 3.11Å; P568-G570 PolarHBondContact O-N 3.45Å; P568-G570 VanDerWaalsContact O-N 3.11Å
569V37.4Very low42.2Very low141 Ų141128.9 Ų128.986%0.85571%0.709SS**THydrogen-bonded Turntrans-60.2115178.81790000110.8D567D567-V569 VanDerWaalsContact C-N 3.33Å; D567-V569 PolarHBondContact O-N 3.06Å
570G51.9Low42.7Very low79 Ų79132.3 Ų132.381%0.81471%0.714SS**THydrogen-bonded Turntrans76.121.8165.200000116.4P568P568-G570 PolarHBondContact O-N 3.45Å; P568-G570 VanDerWaalsContact O-N 3.11Å
571Q42.9Very low43.3Very low118 Ų118130.8 Ų130.855%0.55171%0.706SS**  trans-92133169.8-164.2163.647.900110.8Q573 S669Q571-Q573 PolarHBondContact O-N 2.76Å; Q571-S669 PolarHBondContact NE2-O 2.8Å; Q571-S669 VanDerWaalsContact NE2-O 3.07Å
572L46.2Very low44.5Very low92 Ų92127.2 Ų127.248%0.48268%0.679SS.*  trans-59.7108.4172.6-174.576.9000108.9L574L572-L574 VanDerWaalsContact C-N 3.26Å; L572-L574 PolarHBondContact O-N 2.66Å
573Q44.7Very low46.1Very low127 Ų127127.9 Ų127.959%0.59367%0.672SS**  trans-74.374.8-175.5-73.3-159.310.200112.6Q571 Y575Q571-Q573 PolarHBondContact O-N 2.76Å; Q573-Y575 PolarHBondContact O-N 2.77Å
574L51.1Low47.8Very low135 Ų135129.4 Ų129.471%0.70767%0.669SS**  trans-71.173.6160.3-99.3164.5000109.5L572L572-L574 VanDerWaalsContact C-N 3.26Å; L572-L574 PolarHBondContact O-N 2.66Å
575Y41.4Very low49.8Very low156 Ų156126.6 Ų126.661%0.61264%0.644SS**  trans-141.3125.1-173.4-137.9-131000116Q573Q573-Y575 PolarHBondContact O-N 2.77Å
576R38.5Very low51.9Low182 Ų182118.8 Ų118.869%0.68761%0.609SS**  trans45.2111.7134.6-171.9171.5-67.3173.32.7118P578R576-P578 WeakPolarHBondContact O-CD 3.5Å
577H44.4Very low54.2Low166 Ų166113.6 Ų113.677%0.76960%0.598SS**  trans-28.9112.7168.4-74.2-67.8000115.3Q582H577-Q582 PolarHBondContact ND1-OE1 3.23Å
578P44.8Very low56.1Low84 Ų84110.4 Ų110.455%0.54559%0.592SS.*  trans-69.7147.4153.1-12.629.9000109.8R576R576-P578 WeakPolarHBondContact O-CD 3.5Å
579G44Very low58.2Low63 Ų63107.2 Ų107.265%0.64957%0.571SS**  trans-84.6142.5-171.200000115.3S581G579-S581 VanDerWaalsContact C-N 3.27Å; G579-S581 PolarHBondContact O-N 3.45Å
580R48.1Very low60.5Low250 Ų250106.6 Ų106.694%0.94356%0.563SS**SBendtrans60.5-26.2159.8-69.7-170.2172.7-143.1-2.3120.6P583R580-P583 WeakPolarHBondContact O-CD 3.35Å
581S54.2Low62.1Low82 Ų82105.7 Ų105.757%0.57354%0.535SS*.  trans-91.5-1.7178.657.80000114.9G579 P583G579-S581 VanDerWaalsContact C-N 3.27Å; G579-S581 PolarHBondContact O-N 3.45Å; S581-P583 VanDerWaalsContact C-CD 3.49Å
582Q64.6Low64.2Low48 Ų48105.5 Ų105.522%0.22453%0.529CS..Hα-helixtrans-64.3-39.1178.7-65.9-158.8-64.800116.2H577 F585 L586H577-Q582 PolarHBondContact ND1-OE1 3.23Å; Q582-F585 PolarHBondContact O-N 2.87Å; Q582-L586 VanDerWaalsContact O-CG 3.29Å; Q582-L586 WeakPolarHBondContact O-CG 3.39Å; Q582-L586 PolarHBondContact O-N 3.41Å
583P72.3Confident66.1Low75 Ų75106.8 Ų106.849%0.48753%0.532SS..Hα-helixtrans-63.4-50.9-171.623.9-32000112.1R580 S581 F585 L586 D587R580-P583 WeakPolarHBondContact O-CD 3.35Å; S581-P583 VanDerWaalsContact C-CD 3.49Å; P583-F585 PolarHBondContact O-N 3.22Å; P583-L586 CarbonylContact O-C 3.54Å; P583-L586 WeakPolarHBondContact O-CA 3.31Å; P583-L586 PolarHBondContact O-N 3.36Å; P583-D587 PolarHBondContact O-N 3.23Å
584E77.9Confident68.1Low156 Ų156102.9 Ų102.973%0.72952%0.516SS*.Hα-helixtrans-54.2-38.4178.1-174.7170.8-145.700112.9A588E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.23Å; E584-A588 PolarHBondContact O-N 2.95Å
585F82.6Confident70Confident58 Ų5896.6 Ų96.625%0.25448%0.483SS..Hα-helixtrans-72.4-37.3173.4176.6-99.9000113.5Q582 P583 D587 A588 I589 V599 F601 L606Q582-F585 PolarHBondContact O-N 2.87Å; P583-F585 PolarHBondContact O-N 3.22Å; F585-D587 VanDerWaalsContact C-N 3.34Å; F585-A588 PolarHBondContact O-N 2.97Å; F585-I589 HydrophobicContact CE1-CD1 3.97Å; F585-I589 HydrophobicContact CE1-CG2 4.28Å; F585-I589 HydrophobicContact CE2-CG2 3.89Å; F585-I589 HydrophobicContact CZ-CD1 4.34Å; F585-I589 HydrophobicContact CZ-CG2 3.7Å; F585-I589 PolarHBondContact O-N 2.98Å; F585-V599 HydrophobicContact CE1-CG1 4.2Å; F585-V599 HydrophobicContact CE1-CG2 4.28Å; F585-V599 HydrophobicContact CZ-CG1 3.74Å; F585-V599 HydrophobicContact CZ-CG2 4.36Å; F585-F601 HydrophobicContact CE1-CZ 4.37Å; F585-F601 HydrophobicContact CE2-CZ 4.11Å; F585-F601 AromaticContact CZ-CZ 3.85Å; F585-F601 HydrophobicContact CZ-CZ 3.85Å; F585-L606 HydrophobicContact CE1-CD2 4.23Å
586L82.8Confident72.4Confident30 Ų3092.6 Ų92.616%0.15747%0.469CS..Hα-helixtrans-69.5-34.4176.9-68-176.4000112Q582 P583 I589 R591 L608Q582-L586 VanDerWaalsContact O-CG 3.29Å; Q582-L586 WeakPolarHBondContact O-CG 3.39Å; Q582-L586 PolarHBondContact O-N 3.41Å; P583-L586 CarbonylContact O-C 3.54Å; P583-L586 WeakPolarHBondContact O-CA 3.31Å; P583-L586 PolarHBondContact O-N 3.36Å; L586-I589 HydrophobicContact CD2-CD1 4.17Å; L586-I589 WeakPolarHBondContact O-CG1 3.5Å; L586-R591 HydrophobicContact CB-CB 4.3Å; L586-R591 HydrophobicContact CD2-CG 4.49Å; L586-R591 WeakPolarHBondContact O-CB 3.42Å; L586-R591 PolarHBondContact O-N 3.35Å; L586-R591 VanDerWaalsContact O-N 3.14Å; L586-L608 HydrophobicContact CD2-CD1 3.34Å; L586-L608 HydrophobicContact CD2-CD2 4.2Å; L586-L608 HydrophobicContact CD2-CG 4.42Å
587D83.4Confident75Confident117 Ų11783.9 Ų83.963%0.62644%0.436SS*.Hα-helixtrans-69.6-42173.8-59.2-26.3000109.8P583 F585 I589 D590P583-D587 PolarHBondContact O-N 3.23Å; F585-D587 VanDerWaalsContact C-N 3.34Å; D587-I589 PolarHBondContact O-N 3.41Å; D587-D590 PolarHBondContact O-N 2.88Å
588A83.3Confident77.2Confident81 Ų8177.3 Ų77.367%0.66941%0.408SS*.Hα-helixtrans-67.8-11.6177.900000115.8E584 F585E584-A588 VanDerWaalsContact O-CB 3.23Å; E584-A588 WeakPolarHBondContact O-CB 3.23Å; E584-A588 PolarHBondContact O-N 2.95Å; F585-A588 PolarHBondContact O-N 2.97Å
589I84.9Confident79.4Confident11 Ų1173.3 Ų73.36%0.05638%0.382CS..THydrogen-bonded Turntrans-106.515.6171.467.2175.2000112.9F585 L586 D587 R591 Y597 V599 L608F585-I589 HydrophobicContact CE1-CD1 3.97Å; F585-I589 HydrophobicContact CE1-CG2 4.28Å; F585-I589 HydrophobicContact CE2-CG2 3.89Å; F585-I589 HydrophobicContact CZ-CD1 4.34Å; F585-I589 HydrophobicContact CZ-CG2 3.7Å; F585-I589 PolarHBondContact O-N 2.98Å; L586-I589 HydrophobicContact CD2-CD1 4.17Å; L586-I589 WeakPolarHBondContact O-CG1 3.5Å; D587-I589 PolarHBondContact O-N 3.41Å; I589-R591 VanDerWaalsContact C-N 3.28Å; I589-R591 HydrophobicContact CD1-CB 4.48Å; I589-R591 HydrophobicContact CG1-CB 4.1Å; I589-R591 PolarHBondContact O-N 2.89Å; I589-Y597 HydrophobicContact CD1-CD1 4.04Å; I589-Y597 HydrophobicContact CD1-CE1 4.38Å; I589-V599 HydrophobicContact CD1-CG2 4.18Å; I589-L608 HydrophobicContact CD1-CD1 4.02Å
590D85.5Confident81.6Confident129 Ų12971.3 Ų71.369%0.6936%0.357SS*.THydrogen-bonded Turntrans4650.2-176.6-79.8-52.2000112.2D587 R592 Y597D587-D590 PolarHBondContact O-N 2.88Å; D590-R592 PolarHBondContact O-N 3.34Å; D590-Y597 PolarHBondContact O-OH 3.23Å; D590-Y597 VanDerWaalsContact O-OH 3.04Å
591R85.9Confident83.2Confident59 Ų5962.7 Ų62.722%0.22333%0.327CS..  trans-64.4102.2-167.2-171.5-137.7163.1133.51.7113L586 I589 Y597 P609L586-R591 HydrophobicContact CB-CB 4.3Å; L586-R591 HydrophobicContact CD2-CG 4.49Å; L586-R591 WeakPolarHBondContact O-CB 3.42Å; L586-R591 PolarHBondContact O-N 3.35Å; L586-R591 VanDerWaalsContact O-N 3.14Å; I589-R591 VanDerWaalsContact C-N 3.28Å; I589-R591 HydrophobicContact CD1-CB 4.48Å; I589-R591 HydrophobicContact CG1-CB 4.1Å; I589-R591 PolarHBondContact O-N 2.89Å; R591-Y597 WeakPolarHBondContact CA-OH 3.03Å; R591-Y597 HydrophobicContact CG-CD2 4.16Å; R591-Y597 HydrophobicContact CG-CE2 3.9Å; R591-P609 PolarHBondContact NH2-O 3.14Å
592R87.4Confident84.2Confident114 Ų11469.5 Ų69.543%0.4334%0.34SS..  trans-69.4147.5171.3-52.1177.6-167-771.7111.5D590 D594 Y597 E650D590-R592 PolarHBondContact O-N 3.34Å; R592-D594 WeakPolarHBondContact CB-OD1 3.49Å; R592-Y597 PolarHBondContact N-OH 3.38Å; R592-E650 IonicContact NE-OE1 2.77Å; R592-E650 PolarHBondContact NE-OE1 3.45Å; R592-E650 IonicContact NE-OE2 3.48Å; R592-E650 IonicContact NH2-OE1 3.3Å; R592-E650 IonicContact NH2-OE2 3.65Å
593E85.9Confident84.6Confident119 Ų11977.7 Ų77.756%0.55637%0.369SS*.THydrogen-bonded Turntrans-77.3-26.9176.8-63.9-171.4167.400113.9T595 A610 I611 S612E593-T595 VanDerWaalsContact C-N 3.32Å; E593-A610 CarbonylContact O-C 3.59Å; E593-A610 WeakPolarHBondContact O-CA 3.13Å; E593-I611 PolarHBondContact O-N 2.94Å; E593-S612 WeakPolarHBondContact CB-OG 3.2Å; E593-S612 PolarHBondContact O-N 3.23Å; E593-S612 VanDerWaalsContact O-N 3.14Å; E593-S612 PolarHBondContact O-OG 3.47Å
594D87.9Confident85Confident46 Ų4678.5 Ų78.525%0.24637%0.369CS..THydrogen-bonded Turntrans-87.1-1-173.974.1-20.7000114R592 S612 K620R592-D594 WeakPolarHBondContact CB-OD1 3.49Å; D594-S612 PolarHBondContact N-OG 2.86Å; D594-K620 IonicContact OD1-NZ 3.76Å; D594-K620 WeakPolarHBondContact OD2-CE 3.34Å; D594-K620 IonicContact OD2-NZ 3.95Å; D594-K620 PolarHBondContact OD2-NZ 2.73Å
595T91.1Very high85.4Confident2 Ų275.7 Ų75.71%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-121.1133.5-166.9-62.30000110.1E593 Y597 K620E593-T595 VanDerWaalsContact C-N 3.32Å; T595-Y597 HydrophobicContact CG2-CD2 4.02Å; T595-Y597 HydrophobicContact CG2-CE2 3.63Å; T595-Y597 WeakPolarHBondContact O-CD2 3.47Å; T595-K620 HydrophobicContact CG2-CB 3.97Å; T595-K620 VanDerWaalsContact OG1-CB 3.32Å; T595-K620 WeakPolarHBondContact OG1-CB 3.46Å; T595-K620 WeakPolarHBondContact OG1-CD 3.4Å
596F91.1Very high85.6Confident72 Ų7275.3 Ų75.332%0.31636%0.356SS..EExtended strand (participates in β ladder)trans-85.9119.6174.5-176.3-90.6000109.8V598 L607 K620 M621 S622F596-V598 HydrophobicContact CD1-CG2 4Å; F596-V598 HydrophobicContact CE1-CG2 3.62Å; F596-L607 HydrophobicContact CE1-CD2 4.33Å; F596-L607 HydrophobicContact CZ-CB 4.39Å; F596-L607 HydrophobicContact CZ-CD2 4.32Å; F596-K620 PolarHBondContact N-O 3.05Å; F596-M621 HydrophobicContact CD1-CG 4.16Å; F596-M621 HydrophobicContact CD1-SD 4.23Å; F596-M621 CarbonylContact O-C 3.59Å; F596-M621 VanDerWaalsContact O-CA 3.22Å; F596-M621 WeakPolarHBondContact O-CA 3.28Å; F596-M621 WeakPolarHBondContact O-CG 3.33Å; F596-S622 PolarHBondContact O-N 3.22Å
597Y91.9Very high86Confident0 Ų076.9 Ų76.90%037%0.365CS..EExtended strand (participates in β ladder)trans-101.4134.3179.9-66-116000111.6I589 D590 R591 R592 T595 L608 S622 V624I589-Y597 HydrophobicContact CD1-CD1 4.04Å; I589-Y597 HydrophobicContact CD1-CE1 4.38Å; D590-Y597 PolarHBondContact O-OH 3.23Å; D590-Y597 VanDerWaalsContact O-OH 3.04Å; R591-Y597 WeakPolarHBondContact CA-OH 3.03Å; R591-Y597 HydrophobicContact CG-CD2 4.16Å; R591-Y597 HydrophobicContact CG-CE2 3.9Å; R592-Y597 PolarHBondContact N-OH 3.38Å; T595-Y597 HydrophobicContact CG2-CD2 4.02Å; T595-Y597 HydrophobicContact CG2-CE2 3.63Å; T595-Y597 WeakPolarHBondContact O-CD2 3.47Å; Y597-L608 PolarHBondContact N-O 3.32Å; Y597-L608 PolarHBondContact O-N 2.91Å; Y597-S622 CarbonylContact C-O 3.49Å; Y597-S622 WeakPolarHBondContact CA-O 3.26Å; Y597-V624 HydrophobicContact CD1-CG2 4.13Å
598V92.1Very high86.2Confident28 Ų2871.9 Ų71.917%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-11199.6167.7-178.50000107.3F596 L607 M621 S622 L623 V624F596-V598 HydrophobicContact CD1-CG2 4Å; F596-V598 HydrophobicContact CE1-CG2 3.62Å; V598-L607 HydrophobicContact CB-CD2 4.31Å; V598-L607 HydrophobicContact CG1-CD2 4.02Å; V598-L607 HydrophobicContact CG2-CD2 3.89Å; V598-M621 HydrophobicContact CG2-SD 4.46Å; V598-S622 PolarHBondContact N-O 3.4Å; V598-L623 HydrophobicContact CB-CD1 4Å; V598-L623 HydrophobicContact CG1-CD1 3.9Å; V598-V624 PolarHBondContact O-N 3.23Å
599V90.9Very high86.5Confident0 Ų071.9 Ų71.90%033%0.331CS..EExtended strand (participates in β ladder)trans-95.3115.2176.3-176.10000108.4F585 I589 F601 H605 L606 L608 V624 M646F585-V599 HydrophobicContact CE1-CG1 4.2Å; F585-V599 HydrophobicContact CE1-CG2 4.28Å; F585-V599 HydrophobicContact CZ-CG1 3.74Å; F585-V599 HydrophobicContact CZ-CG2 4.36Å; I589-V599 HydrophobicContact CD1-CG2 4.18Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.19Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.54Å; V599-F601 HydrophobicContact CG1-CZ 3.6Å; V599-H605 CarbonylContact O-C 3.56Å; V599-H605 WeakPolarHBondContact O-CA 3.13Å; V599-L606 HydrophobicContact CB-CB 4.17Å; V599-L606 PolarHBondContact N-O 3.05Å; V599-L606 PolarHBondContact O-N 2.88Å; V599-L608 HydrophobicContact CG2-CD1 4.35Å; V599-V624 CarbonylContact C-O 3.5Å; V599-V624 WeakPolarHBondContact CA-O 3.43Å; V599-V624 HydrophobicContact CG1-CB 4.43Å; V599-V624 HydrophobicContact CG2-CB 4.19Å; V599-V624 HydrophobicContact CG2-CG2 4.45Å; V599-M646 HydrophobicContact CG1-CE 4.48Å
600S89.4Confident86.5Confident20 Ų2073.3 Ų73.314%0.1434%0.344CS..EExtended strand (participates in β ladder)trans-111.495.3-175.8-60.90000110.9H605 V624 P626S600-H605 WeakPolarHBondContact CB-ND1 3.3Å; S600-H605 PolarHBondContact OG-ND1 3.27Å; S600-V624 PolarHBondContact N-O 2.56Å; S600-P626 WeakPolarHBondContact O-CD 3.32Å
601F81.7Confident86.5Confident70 Ų7072.6 Ų72.631%0.30734%0.339SS..  trans-73.6169.7165.8-57.1-78.2000109.9F585 V599 R603 D604 L606 M646F585-F601 HydrophobicContact CE1-CZ 4.37Å; F585-F601 HydrophobicContact CE2-CZ 4.11Å; F585-F601 AromaticContact CZ-CZ 3.85Å; F585-F601 HydrophobicContact CZ-CZ 3.85Å; V599-F601 HydrophobicContact CB-CE2 4.48Å; V599-F601 HydrophobicContact CG1-CD2 4.19Å; V599-F601 HydrophobicContact CG1-CE1 4.29Å; V599-F601 HydrophobicContact CG1-CE2 3.54Å; V599-F601 HydrophobicContact CG1-CZ 3.6Å; F601-R603 PolarHBondContact O-N 2.81Å; F601-D604 PolarHBondContact N-O 2.98Å; F601-D604 PolarHBondContact O-N 3.36Å; F601-L606 HydrophobicContact CE2-CB 4.46Å; F601-M646 HydrophobicContact CD1-CE 4.42Å; F601-M646 HydrophobicContact CE1-CE 4.21Å
602R76.6Confident86.3Confident224 Ų22472 Ų7285%0.84534%0.344SS*.SBendtrans-48.3-23.9-168.8-65.8177.6-69.9173.2-3.7116.9
603R72.1Confident85.8Confident220 Ų22073.8 Ų73.883%0.8336%0.357SS*.SBendtrans-141.5-4171.9-64.8-173.6-179.4141.94.5114.4F601F601-R603 PolarHBondContact O-N 2.81Å
604D81.5Confident85.4Confident93 Ų9372.2 Ų72.250%0.49735%0.353SS..  trans-130.3126.2-161.1-54-63.8000109.7F601F601-D604 PolarHBondContact N-O 2.98Å; F601-D604 PolarHBondContact O-N 3.36Å
605H85.8Confident84.9Confident96 Ų9678.7 Ų78.744%0.44438%0.378SS..EExtended strand (participates in β ladder)trans-110.4110.6-174.8-55.7-78.5000110.8V599 S600V599-H605 CarbonylContact O-C 3.56Å; V599-H605 WeakPolarHBondContact O-CA 3.13Å; S600-H605 WeakPolarHBondContact CB-ND1 3.3Å; S600-H605 PolarHBondContact OG-ND1 3.27Å
606L87.4Confident84.3Confident50 Ų5084.8 Ų84.826%0.26242%0.416SS..EExtended strand (participates in β ladder)trans-89.3115.6172.9169.564.8000109.4F585 V599 F601 L608F585-L606 HydrophobicContact CE1-CD2 4.23Å; V599-L606 HydrophobicContact CB-CB 4.17Å; V599-L606 PolarHBondContact N-O 3.05Å; V599-L606 PolarHBondContact O-N 2.88Å; F601-L606 HydrophobicContact CE2-CB 4.46Å; L606-L608 HydrophobicContact CD1-CD2 3.86Å; L606-L608 HydrophobicContact CD2-CD2 4.19Å; L606-L608 HydrophobicContact CG-CD2 3.93Å; L606-L608 HydrophobicContact CG-CG 4.19Å
607L89.9Confident83.9Confident64 Ų6483.9 Ų83.934%0.33542%0.418SS..EExtended strand (participates in β ladder)trans-98.9121.2176.6-59.9177.5000110F596 V598F596-L607 HydrophobicContact CE1-CD2 4.33Å; F596-L607 HydrophobicContact CZ-CB 4.39Å; F596-L607 HydrophobicContact CZ-CD2 4.32Å; V598-L607 HydrophobicContact CB-CD2 4.31Å; V598-L607 HydrophobicContact CG1-CD2 4.02Å; V598-L607 HydrophobicContact CG2-CD2 3.89Å
608L88.8Confident83.5Confident11 Ų1190.4 Ų90.46%0.05844%0.443CS..EExtended strand (participates in β ladder)trans-111.8108.4177.6-53.5172.3000109.1L586 I589 Y597 V599 L606L586-L608 HydrophobicContact CD2-CD1 3.34Å; L586-L608 HydrophobicContact CD2-CD2 4.2Å; L586-L608 HydrophobicContact CD2-CG 4.42Å; I589-L608 HydrophobicContact CD1-CD1 4.02Å; Y597-L608 PolarHBondContact N-O 3.32Å; Y597-L608 PolarHBondContact O-N 2.91Å; V599-L608 HydrophobicContact CG2-CD1 4.35Å; L606-L608 HydrophobicContact CD1-CD2 3.86Å; L606-L608 HydrophobicContact CD2-CD2 4.19Å; L606-L608 HydrophobicContact CG-CD2 3.93Å; L606-L608 HydrophobicContact CG-CG 4.19Å
609P87.9Confident83.3Confident82 Ų8292.2 Ų92.253%0.53246%0.456SS..  trans-68.3143.4178.728.4-34000111.1R591 I611R591-P609 PolarHBondContact NH2-O 3.14Å; P609-I611 PolarHBondContact O-N 3.07Å
610A86.8Confident83.3Confident41 Ų4195.5 Ų95.534%0.33947%0.47SS..  trans-56.3134.6165.200000109.4E593E593-A610 CarbonylContact O-C 3.59Å; E593-A610 WeakPolarHBondContact O-CA 3.13Å
611I83.8Confident83.3Confident114 Ų11498 Ų9859%0.58548%0.48SS*.SBendtrans-92.2-42.2-177.5-61.2173000109.3E593 P609E593-I611 PolarHBondContact O-N 2.94Å; P609-I611 PolarHBondContact O-N 3.07Å
612S82.3Confident83.9Confident47 Ų4794.7 Ų94.733%0.32947%0.466SS..  trans-96.1142.5169.658.50000110.2E593 D594E593-S612 WeakPolarHBondContact CB-OG 3.2Å; E593-S612 PolarHBondContact O-N 3.23Å; E593-S612 VanDerWaalsContact O-N 3.14Å; E593-S612 PolarHBondContact O-OG 3.47Å; D594-S612 PolarHBondContact N-OG 2.86Å
613H77.4Confident84.7Confident150 Ų15087 Ų8769%0.69444%0.441SS*.  trans-125.998.4175.263.3-84000108.8
614N77.3Confident85.6Confident87 Ų8776.5 Ų76.547%0.46540%0.402SS..  trans-73.2139.4172.5-174.515.4000109.9T616 S617N614-T616 PolarHBondContact ND2-OG1 2.9Å; N614-T616 PolarHBondContact OD1-N 3.38Å; N614-T616 VanDerWaalsContact OD1-N 3.07Å; N614-T616 PolarHBondContact OD1-OG1 2.89Å; N614-T616 VanDerWaalsContact OD1-OG1 3.08Å; N614-S617 WeakPolarHBondContact CB-OG 3.25Å; N614-S617 PolarHBondContact ND2-N 3.2Å; N614-S617 PolarHBondContact ND2-OG 2.93Å
615K77.7Confident86Confident181 Ų18175.3 Ų75.379%0.78739%0.394SS*.SBendtrans-94.8-10.9178.4-63.7177-176.9172.30113.1
616T78.2Confident86.1Confident131 Ų13172.3 Ų72.380%0.80438%0.383SS*.SBendtrans-101-24.6-178.363.90000114N614N614-T616 PolarHBondContact ND2-OG1 2.9Å; N614-T616 PolarHBondContact OD1-N 3.38Å; N614-T616 VanDerWaalsContact OD1-N 3.07Å; N614-T616 PolarHBondContact OD1-OG1 2.89Å; N614-T616 VanDerWaalsContact OD1-OG1 3.08Å
617S81.8Confident86Confident52 Ų5271.8 Ų71.836%0.36439%0.386SS..SBendtrans-96.1161.5171.461.60000111.4N614N614-S617 WeakPolarHBondContact CB-OG 3.25Å; N614-S617 PolarHBondContact ND2-N 3.2Å; N614-S617 PolarHBondContact ND2-OG 2.93Å
618R84.1Confident85.2Confident137 Ų13777.5 Ų77.552%0.51741%0.413SS..PPolyproline II helixtrans-66.9147.9169.6-61.5-177.1-173.4-80.5-1.9109.7E652R618-E652 WeakPolarHBondContact CD-OE2 3.49Å
619P88.3Confident83.9Confident67 Ų6779.4 Ų79.444%0.43543%0.43SS..PPolyproline II helixtrans-63.3140.5171-17.331.1000110V653 T656P619-V653 HydrophobicContact CB-CB 4.32Å; P619-V653 WeakPolarHBondContact O-CB 3.49Å; P619-V653 PolarHBondContact O-N 3.33Å; P619-T656 HydrophobicContact CG-CG2 4.39Å
620K89.9Confident82.3Confident69 Ų6980.8 Ų80.830%0.344%0.439SS..EExtended strand (participates in β ladder)trans-105.2149.2177-64.5174.3-172.3162.60110.9D594 T595 F596D594-K620 IonicContact OD1-NZ 3.76Å; D594-K620 WeakPolarHBondContact OD2-CE 3.34Å; D594-K620 IonicContact OD2-NZ 3.95Å; D594-K620 PolarHBondContact OD2-NZ 2.73Å; T595-K620 HydrophobicContact CG2-CB 3.97Å; T595-K620 VanDerWaalsContact OG1-CB 3.32Å; T595-K620 WeakPolarHBondContact OG1-CB 3.46Å; T595-K620 WeakPolarHBondContact OG1-CD 3.4Å; F596-K620 PolarHBondContact N-O 3.05Å
621M91.1Very high80.8Confident73 Ų7384.7 Ų84.736%0.3645%0.454SS..EExtended strand (participates in β ladder)trans-135.1138.3172.7-177.7168.967.900109.8F596 V598 C651 V653F596-M621 HydrophobicContact CD1-CG 4.16Å; F596-M621 HydrophobicContact CD1-SD 4.23Å; F596-M621 CarbonylContact O-C 3.59Å; F596-M621 VanDerWaalsContact O-CA 3.22Å; F596-M621 WeakPolarHBondContact O-CA 3.28Å; F596-M621 WeakPolarHBondContact O-CG 3.33Å; V598-M621 HydrophobicContact CG2-SD 4.46Å; M621-C651 PolarHBondContact N-O 2.84Å; M621-C651 PolarHBondContact O-N 2.96Å; M621-V653 HydrophobicContact CB-CG2 3.69Å
622S93.6Very high79.4Confident0 Ų088.5 Ų88.50%047%0.47CS..EExtended strand (participates in β ladder)trans-118.7128.4174.5178.60000109.5F596 Y597 V598 Q648 I649F596-S622 PolarHBondContact O-N 3.22Å; Y597-S622 CarbonylContact C-O 3.49Å; Y597-S622 WeakPolarHBondContact CA-O 3.26Å; V598-S622 PolarHBondContact N-O 3.4Å; S622-Q648 WeakPolarHBondContact OG-CG 3.44Å; S622-I649 WeakPolarHBondContact CA-O 3.22Å
623L92.7Very high78.1Confident61 Ų6192.2 Ų92.232%0.31949%0.491SS..EExtended strand (participates in β ladder)trans-105.6117.9173.8174.663.6000108.3V598 M625 Q648 I649V598-L623 HydrophobicContact CB-CD1 4Å; V598-L623 HydrophobicContact CG1-CD1 3.9Å; L623-M625 HydrophobicContact CD2-SD 4.46Å; L623-Q648 CarbonylContact O-C 3.58Å; L623-Q648 WeakPolarHBondContact O-CA 3.42Å; L623-I649 HydrophobicContact CB-CB 4.43Å; L623-I649 PolarHBondContact N-O 2.83Å; L623-I649 PolarHBondContact O-N 3.4Å
624V91.7Very high76.9Confident1 Ų191 Ų911%0.00649%0.494CS..EExtended strand (participates in β ladder)trans-116128.3-179.7-171.50000108.8Y597 V598 V599 S600 M646 M647 Q648Y597-V624 HydrophobicContact CD1-CG2 4.13Å; V598-V624 PolarHBondContact O-N 3.23Å; V599-V624 CarbonylContact C-O 3.5Å; V599-V624 WeakPolarHBondContact CA-O 3.43Å; V599-V624 HydrophobicContact CG1-CB 4.43Å; V599-V624 HydrophobicContact CG2-CB 4.19Å; V599-V624 HydrophobicContact CG2-CG2 4.45Å; S600-V624 PolarHBondContact N-O 2.56Å; V624-M646 HydrophobicContact CG1-CB 4.09Å; V624-M646 HydrophobicContact CG1-CE 3.94Å; V624-M647 WeakPolarHBondContact CA-O 3.36Å; V624-Q648 HydrophobicContact CG2-CB 4.31Å; V624-Q648 HydrophobicContact CG2-CG 4.18Å
625M90.8Very high75.5Confident67 Ų6790.5 Ų90.533%0.3350%0.497SS..EExtended strand (participates in β ladder)trans-155150-176.150.9177.2-77.700110.9L623 A627 M647L623-M625 HydrophobicContact CD2-SD 4.46Å; M625-A627 PolarHBondContact O-N 3.06Å; M625-M647 HydrophobicContact CE-CE 3.73Å; M625-M647 HydrophobicContact CG-CE 3.77Å; M625-M647 PolarHBondContact N-O 3.33Å; M625-M647 PolarHBondContact O-N 3.15Å; M625-M647 HydrophobicContact SD-CE 3.58Å; M625-M647 VanDerWaalsContact SD-CE 3.58Å
626P87.5Confident74.3Confident34 Ų3485.7 Ų85.722%0.22150%0.499CS..EExtended strand (participates in β ladder)trans-51.8128.4178.1-2934.7000112.6S600 E645 M646S600-P626 WeakPolarHBondContact O-CD 3.32Å; P626-E645 WeakPolarHBondContact CA-O 3.42Å; P626-M646 HydrophobicContact CB-SD 4.17Å; P626-M646 HydrophobicContact CG-CE 4.22Å; P626-M646 HydrophobicContact CG-SD 3.81Å
627A83.7Confident73.2Confident39 Ų3990.1 Ų90.132%0.32250%0.501SS..  trans-73.9138.9172.100000109.3M625 A629 E645 M647M625-A627 PolarHBondContact O-N 3.06Å; A627-A629 PolarHBondContact O-N 2.85Å; A627-E645 HydrophobicContact CB-CB 4.08Å; A627-E645 PolarHBondContact N-O 3.14Å; A627-M647 HydrophobicContact CB-CB 4.22Å
628M73.1Confident71.8Confident184 Ų18490.4 Ų90.491%0.90651%0.512SS*.  trans-87.496.6168.5-67.2-174.575.700108P630M628-P630 WeakPolarHBondContact O-CD 3.5Å
629A62.5Low70.2Confident51 Ų5187.6 Ų87.642%0.42151%0.511SS..  trans-51.2118.3-177.100000111.9A627 N631 E645A627-A629 PolarHBondContact O-N 2.85Å; A629-N631 VanDerWaalsContact C-N 3.3Å; A629-N631 PolarHBondContact O-N 2.8Å; A629-E645 WeakPolarHBondContact CB-OE2 3.31Å
630P54.7Low68.3Low111 Ų11191.3 Ų91.372%0.72154%0.535SS*.SBendtrans-79.181.5178.432.3-33.8000110.3M628M628-P630 WeakPolarHBondContact O-CD 3.5Å
631N54.2Low66.8Low122 Ų12291.3 Ų91.365%0.65256%0.555SS**  trans79.4132.3-178.1-41.2-76.4000114.9A629 T633A629-N631 VanDerWaalsContact C-N 3.3Å; A629-N631 PolarHBondContact O-N 2.8Å; N631-T633 PolarHBondContact O-N 3.48Å
632E55.6Low65.3Low195 Ų19593.1 Ų93.191%0.91157%0.566SS**THydrogen-bonded Turntrans-7210.5-175.3-57.6-178.8146.700114.6
633T54.2Low64.1Low125 Ų125101.7 Ų101.777%0.76760%0.6SS**THydrogen-bonded Turntrans-98.4-1.7-166.553.80000115.3N631N631-T633 PolarHBondContact O-N 3.48Å
634V53.5Low63.4Low125 Ų125104.2 Ų104.276%0.75861%0.61SS**SBendtrans-124.5-21.3-171.8-171.60000114.1G636V634-G636 PolarHBondContact O-N 2.62Å
635S46.7Very low63Low76 Ų76108.2 Ų108.253%0.53163%0.628SS.*  trans-76.462.2179.7-57.60000112.8R637 E645S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 3.11Å; S635-E645 WeakPolarHBondContact CB-OE1 3.36Å; S635-E645 PolarHBondContact OG-OE1 3.26Å
636G52.5Low62.7Low80 Ų80107.7 Ų107.783%0.82563%0.626SS**  trans-74.462.5-177.700000114.5V634V634-G636 PolarHBondContact O-N 2.62Å
637R54.3Low62.8Low224 Ų224109.9 Ų109.985%0.84563%0.634SS**SBendtrans-154.1117.6168.6-130.1175.8-166.8-97.60.1113.9S635S635-R637 VanDerWaalsContact C-N 3.27Å; S635-R637 PolarHBondContact O-N 3.11Å
638G53.5Low63.2Low58 Ų58111.3 Ų111.360%0.59863%0.634SS**SBendtrans97.5168.5167.700000115.5
639P49.5Very low64.1Low78 Ų78105.9 Ų105.951%0.50661%0.608SS.*  trans-64.7151.8170.4-18.832.8000112.2G641 D642P639-G641 PolarHBondContact O-N 3.19Å; P639-D642 VanDerWaalsContact CD-OD2 3.27Å; P639-D642 WeakPolarHBondContact CD-OD2 3.45Å; P639-D642 VanDerWaalsContact CG-OD2 3.32Å; P639-D642 WeakPolarHBondContact CG-OD2 3.32Å; P639-D642 PolarHBondContact O-N 2.57Å
640P49.8Very low65.5Low144 Ų144108.3 Ų108.394%0.93561%0.611SS**THydrogen-bonded Turntrans-70.788.617729.8-35.1000111.2
641G57.7Low67.2Low69 Ų69105.7 Ų105.771%0.71159%0.594SS**THydrogen-bonded Turntrans157-19.4176.100000115.8P639P639-G641 PolarHBondContact O-N 3.19Å
642D60.6Low69Low111 Ų111105.9 Ų105.959%0.59459%0.591SS**SBendtrans-87.1-14-166.9-66.1-10.3000114.7P639P639-D642 VanDerWaalsContact CD-OD2 3.27Å; P639-D642 WeakPolarHBondContact CD-OD2 3.45Å; P639-D642 VanDerWaalsContact CG-OD2 3.32Å; P639-D642 WeakPolarHBondContact CG-OD2 3.32Å; P639-D642 PolarHBondContact O-N 2.57Å
643Y68.6Low70.6Confident181 Ų18198.6 Ų98.671%0.7156%0.56SS**  trans-135.9132.4-177.3-58.4-90.8000110.7
644E76Confident72.1Confident114 Ų11498.7 Ų98.753%0.53355%0.553SS.*  trans-106.4120.7171.1-172.9168.8-167.800108.4M646E644-M646 HydrophobicContact CG-SD 4.18Å; E644-M646 PolarHBondContact O-N 3.46Å
645E83.3Confident73.4Confident84 Ų8498.6 Ų98.639%0.39355%0.549SS..  trans-70.2122179.1-66.3-175.7179.900110.1P626 A627 A629 S635P626-E645 WeakPolarHBondContact CA-O 3.42Å; A627-E645 HydrophobicContact CB-CB 4.08Å; A627-E645 PolarHBondContact N-O 3.14Å; A629-E645 WeakPolarHBondContact CB-OE2 3.31Å; S635-E645 WeakPolarHBondContact CB-OE1 3.36Å; S635-E645 PolarHBondContact OG-OE1 3.26Å
646M85.9Confident75.2Confident57 Ų5799.8 Ų99.828%0.28155%0.553SS.*EExtended strand (participates in β ladder)trans-118.9129.6-179-59.2-67.3-75.200110.5V599 F601 V624 P626 E644V599-M646 HydrophobicContact CG1-CE 4.48Å; F601-M646 HydrophobicContact CD1-CE 4.42Å; F601-M646 HydrophobicContact CE1-CE 4.21Å; V624-M646 HydrophobicContact CG1-CB 4.09Å; V624-M646 HydrophobicContact CG1-CE 3.94Å; P626-M646 HydrophobicContact CB-SD 4.17Å; P626-M646 HydrophobicContact CG-CE 4.22Å; P626-M646 HydrophobicContact CG-SD 3.81Å; E644-M646 HydrophobicContact CG-SD 4.18Å; E644-M646 PolarHBondContact O-N 3.46Å
647M88.9Confident76.8Confident80 Ų80105.3 Ų105.339%0.39455%0.549SS..EExtended strand (participates in β ladder)trans-85.5124.4169.6178.7176.562.200109.6V624 M625 A627 I649V624-M647 WeakPolarHBondContact CA-O 3.36Å; M625-M647 HydrophobicContact CE-CE 3.73Å; M625-M647 HydrophobicContact CG-CE 3.77Å; M625-M647 PolarHBondContact N-O 3.33Å; M625-M647 PolarHBondContact O-N 3.15Å; M625-M647 HydrophobicContact SD-CE 3.58Å; M625-M647 VanDerWaalsContact SD-CE 3.58Å; A627-M647 HydrophobicContact CB-CB 4.22Å; M647-I649 HydrophobicContact CE-CD1 3.96Å; M647-I649 HydrophobicContact CG-CG1 4.16Å; M647-I649 HydrophobicContact SD-CD1 4.23Å; M647-I649 HydrophobicContact SD-CG1 4.39Å
648Q92.3Very high78.2Confident69 Ų69100.8 Ų100.832%0.32255%0.546SS..EExtended strand (participates in β ladder)trans-107.5129.7172.4174.7154.7-35.400110.2S622 L623 V624 E650S622-Q648 WeakPolarHBondContact OG-CG 3.44Å; L623-Q648 CarbonylContact O-C 3.58Å; L623-Q648 WeakPolarHBondContact O-CA 3.42Å; V624-Q648 HydrophobicContact CG2-CB 4.31Å; V624-Q648 HydrophobicContact CG2-CG 4.18Å; Q648-E650 HydrophobicContact CG-CG 4.3Å; Q648-E650 PolarHBondContact NE2-OE1 3.36Å; Q648-E650 VanDerWaalsContact NE2-OE1 3.17Å
649I92.4Very high79.9Confident69 Ų69103.7 Ų103.735%0.35455%0.546SS..EExtended strand (participates in β ladder)trans-121.2108.3177.1-53.3178.1000108S622 L623 M647S622-I649 WeakPolarHBondContact CA-O 3.22Å; L623-I649 HydrophobicContact CB-CB 4.43Å; L623-I649 PolarHBondContact N-O 2.83Å; L623-I649 PolarHBondContact O-N 3.4Å; M647-I649 HydrophobicContact CE-CD1 3.96Å; M647-I649 HydrophobicContact CG-CG1 4.16Å; M647-I649 HydrophobicContact SD-CD1 4.23Å; M647-I649 HydrophobicContact SD-CG1 4.39Å
650E92.5Very high81.9Confident103 Ų103108.3 Ų108.348%0.48156%0.561SS.*EExtended strand (participates in β ladder)trans-87.2134174.3-60-163.4162.100110.9R592 Q648R592-E650 IonicContact NE-OE1 2.77Å; R592-E650 PolarHBondContact NE-OE1 3.45Å; R592-E650 IonicContact NE-OE2 3.48Å; R592-E650 IonicContact NH2-OE1 3.3Å; R592-E650 IonicContact NH2-OE2 3.65Å; Q648-E650 HydrophobicContact CG-CG 4.3Å; Q648-E650 PolarHBondContact NE2-OE1 3.36Å; Q648-E650 VanDerWaalsContact NE2-OE1 3.17Å
651C90.3Very high83.7Confident56 Ų56106.6 Ų106.638%0.37854%0.542SS..EExtended strand (participates in β ladder)trans-135.5135.1-174.5-69.20000111.4M621M621-C651 PolarHBondContact N-O 2.84Å; M621-C651 PolarHBondContact O-N 2.96Å
652E91Very high85.3Confident125 Ų125110.8 Ų110.858%0.58454%0.541SS*.EExtended strand (participates in β ladder)trans-81.4129.5162.3-63.8-158152.600110.3R618 M654R618-E652 WeakPolarHBondContact CD-OE2 3.49Å; E652-M654 PolarHBondContact O-N 3.08Å
653V88.6Confident86.5Confident42 Ų42110.4 Ų110.426%0.25554%0.543SS..  trans-86.4107.1-177.8-170.20000110P619 M621 T656P619-V653 HydrophobicContact CB-CB 4.32Å; P619-V653 WeakPolarHBondContact O-CB 3.49Å; P619-V653 PolarHBondContact O-N 3.33Å; M621-V653 HydrophobicContact CB-CG2 3.69Å; V653-T656 HydrophobicContact CB-CG2 4.31Å; V653-T656 HydrophobicContact CG1-CG2 3.53Å
654M86.2Confident87.3Confident128 Ų128106 Ų10663%0.63154%0.538SS*.  trans-83.6156.7171.8-60.6-175.669.900111.7E652 T656E652-M654 PolarHBondContact O-N 3.08Å; M654-T656 PolarHBondContact O-N 3.07Å
655D81.6Confident88Confident123 Ų123105.1 Ų105.166%0.65854%0.541SS*.SBendtrans48.744.1168.1-57.6-11.9000116.9R657D655-R657 PolarHBondContact O-N 2.65Å
656T83.8Confident88.1Confident101 Ų101103 Ų10362%0.6253%0.533SS*.  trans-59.7118174.150.50000111.4P619 V653 M654P619-T656 HydrophobicContact CG-CG2 4.39Å; V653-T656 HydrophobicContact CB-CG2 4.31Å; V653-T656 HydrophobicContact CG1-CG2 3.53Å; M654-T656 PolarHBondContact O-N 3.07Å
657R85.4Confident88.2Confident196 Ų196103.4 Ų103.474%0.7454%0.541SS*.  trans-139139.1-179.360.9178.9179.6-88.77.1112.4D655 I659D655-R657 PolarHBondContact O-N 2.65Å; R657-I659 HydrophobicContact CG-CG2 4.28Å; R657-I659 PolarHBondContact O-N 3.48Å
658V84.1Confident87.6Confident129 Ų129104.1 Ų104.178%0.78255%0.551SS**  trans-82.4100178.6-176.50000110.1H660V658-H660 PolarHBondContact O-ND1 3.11Å
659I90.2Very high86.7Confident118 Ų118104.3 Ų104.361%0.60556%0.56SS**  trans-83.5133.3175.260.7174.9000111.4R657 I661R657-I659 HydrophobicContact CG-CG2 4.28Å; R657-I659 PolarHBondContact O-N 3.48Å; I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.38Å; I659-I661 HydrophobicContact CG1-CD1 4.5Å; I659-I661 HydrophobicContact CG1-CG1 4.44Å
660H90.1Very high85.7Confident176 Ų176105.8 Ų105.882%0.81557%0.568SS**  trans-102.196.9-178.1-70.974.9000110.2V658V658-H660 PolarHBondContact O-ND1 3.11Å
661I88.9Confident85.2Confident107 Ų107105.5 Ų105.555%0.54956%0.563SS.*  trans-90.6130.9-179.8-55.7177.7000109.5I659 T663 T665 V666I659-I661 HydrophobicContact CD1-CD1 4.07Å; I659-I661 HydrophobicContact CD1-CG1 4.38Å; I659-I661 HydrophobicContact CG1-CD1 4.5Å; I659-I661 HydrophobicContact CG1-CG1 4.44Å; I661-T663 PolarHBondContact O-N 3.35Å; I661-T665 WeakPolarHBondContact CG2-OG1 3.19Å; I661-V666 HydrophobicContact CG2-CG2 3.89Å
662K90Very high84.2Confident158 Ų158112.7 Ų112.769%0.68759%0.587SS**  trans-64.4131.3175.2-66.8-179.6179.5177.10109.7S664 T665 V666K662-S664 PolarHBondContact O-N 2.98Å; K662-T665 PolarHBondContact O-N 3.14Å; K662-T665 PolarHBondContact O-OG1 3.19Å; K662-V666 PolarHBondContact O-N 3.32Å
663T86.5Confident82.7Confident103 Ų103114.3 Ų114.363%0.63260%0.595SS**THydrogen-bonded Turntrans-58.1-24.9-179.3-39.20000112.9I661 V666 R671I661-T663 PolarHBondContact O-N 3.35Å; T663-V666 PolarHBondContact O-N 3.42Å; T663-R671 HydrophobicContact CG2-CG 4.4Å; T663-R671 PolarHBondContact O-NE 3.39Å
664S86.3Confident81.2Confident87 Ų87117.6 Ų117.661%0.60862%0.617SS**THydrogen-bonded Turntrans-67-27.8173.857.60000114.4K662 R671K662-S664 PolarHBondContact O-N 2.98Å; S664-R671 PolarHBondContact O-NH2 3.02Å
665T89.1Confident79.2Confident97 Ų97116.4 Ų116.460%0.59562%0.621SS**THydrogen-bonded Turntrans-92.5-12.5178.158.10000113I661 K662I661-T665 WeakPolarHBondContact CG2-OG1 3.19Å; K662-T665 PolarHBondContact O-N 3.14Å; K662-T665 PolarHBondContact O-OG1 3.19Å
666V87Confident77.6Confident38 Ų38116.5 Ų116.523%0.2363%0.629CS.*SBendtrans-70.4132.5169.3-179.40000109.1I661 K662 T663 L670 R671I661-V666 HydrophobicContact CG2-CG2 3.89Å; K662-V666 PolarHBondContact O-N 3.32Å; T663-V666 PolarHBondContact O-N 3.42Å; V666-L670 HydrophobicContact CG1-CB 3.91Å; V666-R671 HydrophobicContact CB-CG 4.28Å; V666-R671 HydrophobicContact CG1-CG 4.13Å; V666-R671 VanDerWaalsContact O-CZ 3.25Å; V666-R671 PolarHBondContact O-NE 2.95Å; V666-R671 PolarHBondContact O-NH2 2.67Å
667P86.1Confident75.9Confident67 Ų67117.6 Ų117.644%0.43564%0.636SS.*  trans-55.1140.3175.9-28.335.8000112.7S669 L670 R671P667-S669 PolarHBondContact O-N 3.05Å; P667-S669 VanDerWaalsContact O-N 3.11Å; P667-L670 HydrophobicContact CB-CD1 4.44Å; P667-L670 HydrophobicContact CB-CG 4.46Å; P667-L670 HydrophobicContact CG-CD1 4.23Å; P667-L670 PolarHBondContact O-N 3.34Å; P667-R671 PolarHBondContact O-N 3.17Å
668P76.7Confident74.1Confident94 Ų94114 Ų11461%0.6164%0.638SS**G310 helixtrans-55.6-31.4-176.3-28.636.2000115.3L670 R671P668-L670 VanDerWaalsContact C-N 3.27Å; P668-L670 PolarHBondContact O-N 3.41Å; P668-R671 PolarHBondContact O-N 3.13Å
669S74.8Confident71.9Confident73 Ų73111.1 Ų111.151%0.5163%0.634SS.*G310 helixtrans-67.6-22.1175.647.90000114.5Q571 P667Q571-S669 PolarHBondContact NE2-O 2.8Å; Q571-S669 VanDerWaalsContact NE2-O 3.07Å; P667-S669 PolarHBondContact O-N 3.05Å; P667-S669 VanDerWaalsContact O-N 3.11Å
670L71.6Confident69.3Low101 Ų101113.9 Ų113.953%0.52965%0.65SS.*G310 helixtrans-104.4-2.8-179.9-58.6-179.7000112.7V666 P667 P668V666-L670 HydrophobicContact CG1-CB 3.91Å; P667-L670 HydrophobicContact CB-CD1 4.44Å; P667-L670 HydrophobicContact CB-CG 4.46Å; P667-L670 HydrophobicContact CG-CD1 4.23Å; P667-L670 PolarHBondContact O-N 3.34Å; P668-L670 VanDerWaalsContact C-N 3.27Å; P668-L670 PolarHBondContact O-N 3.41Å
671R81.7Confident66.9Low97 Ų97111.7 Ų111.737%0.36665%0.649SS.*SBendtrans-74.5127.1171.6-65.4177.3-164.8173.23.2108.8T663 S664 V666 P667 P668 Q673T663-R671 HydrophobicContact CG2-CG 4.4Å; T663-R671 PolarHBondContact O-NE 3.39Å; S664-R671 PolarHBondContact O-NH2 3.02Å; V666-R671 HydrophobicContact CB-CG 4.28Å; V666-R671 HydrophobicContact CG1-CG 4.13Å; V666-R671 VanDerWaalsContact O-CZ 3.25Å; V666-R671 PolarHBondContact O-NE 2.95Å; V666-R671 PolarHBondContact O-NH2 2.67Å; P667-R671 PolarHBondContact O-N 3.17Å; P668-R671 PolarHBondContact O-N 3.13Å; R671-Q673 PolarHBondContact O-N 3.49Å
672K67.6Low64.5Low206 Ų206113.5 Ų113.590%0.89667%0.666SS**  trans-59.9110.9170.2-167.9172.9-174.3176.30108.2
673Q61.2Low61.9Low160 Ų160109.3 Ų109.375%0.74867%0.667SS**PPolyproline II helixtrans-54.2132.3176.6-75.1-78.9-9.800109.3R671 S675R671-Q673 PolarHBondContact O-N 3.49Å; Q673-S675 PolarHBondContact O-N 3.08Å
674P57.3Low59.2Low110 Ų110107.9 Ų107.971%0.71467%0.673SS**PPolyproline II helixtrans-63.4129.1171.427.6-33000108.6
675S43.7Very low57.3Low103 Ų103109.3 Ų109.372%0.7268%0.68SS**PPolyproline II helixtrans-59.6129175.450.40000109.7Q673 T677Q673-S675 PolarHBondContact O-N 3.08Å; S675-T677 PolarHBondContact O-N 3.27Å; S675-T677 VanDerWaalsContact O-N 3.1Å
676P46.8Very low54.6Low125 Ų125112.8 Ų112.881%0.81269%0.694SS**PPolyproline II helixtrans-63.1116.9178.325.8-33.2000109.6
677T49.2Very low53.1Low125 Ų125116.7 Ų116.777%0.76772%0.72SS**PPolyproline II helixtrans-60135.3171.2-43.10000108.8S675 G679S675-T677 PolarHBondContact O-N 3.27Å; S675-T677 VanDerWaalsContact O-N 3.1Å; T677-G679 PolarHBondContact O-N 2.92Å
678P47.8Very low50.4Low121 Ų121118.3 Ų118.379%0.78674%0.739SS**PPolyproline II helixtrans-58.5123.5174.524.5-33.5000109.5
679G38.2Very low48.1Very low68 Ų68119.7 Ų119.770%0.70175%0.751SS**PPolyproline II helixtrans-80.1132.9-169.500000113.2T677 T681T677-G679 PolarHBondContact O-N 2.92Å; G679-T681 PolarHBondContact O-N 2.81Å
680N34.3Very low45.9Very low175 Ų175120.3 Ų120.394%0.93676%0.761SS**PPolyproline II helixtrans-71.9121.1160.3-89.1-5.3000109.3
681T41Very low44Very low131 Ų131120.5 Ų120.580%0.80478%0.777SS**PPolyproline II helixtrans-86.3138.8167.748.20000110.3G679G679-T681 PolarHBondContact O-N 2.81Å
682T38.1Very low41.5Very low145 Ų145121.7 Ų121.789%0.8980%0.8SS**  trans-172.8146.1142.1-75.20000107.2
683G34.2Very low39.7Very low69 Ų69121 Ų12171%0.71180%0.8SS**  trans-76.7170.3-176.600000114.4
684G31.2Very low38.1Very low74 Ų74117.6 Ų117.676%0.76380%0.799SS**  trans-70.9-176.4166.800000112.8
685P46.5Very low36.8Very low117 Ų117117.3 Ų117.376%0.7680%0.8SS**  -144.7148.862.337.9-20.7000117.9
686L31.7Very low36Very low170 Ų170121.5 Ų121.589%0.8981%0.808SS**  trans65.5164.1148.8-70.1174.4000118.4
687P56.1Low35.1Very low120 Ų120120.1 Ų120.178%0.77981%0.807SS**  trans-114154.9-14040.6-35.2000116.7
688A28.1Very low34.1Very low100 Ų100118.6 Ų118.683%0.82680%0.801SS**  trans-150.7123.7157.300000112.7
689S28.9Very low33.2Very low123 Ų123121.3 Ų121.386%0.8680%0.803SS**  trans27.5152.1145.3-142.50000124.8
690A29.9Very low32.9Very low87 Ų87126.7 Ų126.772%0.71981%0.81SS**  trans78.5112.6145.700000121.5
691A30.6Very low32.7Very low105 Ų105124.4 Ų124.487%0.86881%0.805SS**  trans31.1115.8134.900000120.4
692S28.7Very low32.2Very low121 Ų121126.6 Ų126.685%0.84681%0.811SS**  trans-75.2147.4169.948.80000114.1
693Q29.5Very low31.8Very low193 Ų193130.8 Ų130.890%0.90281%0.812SS**  trans-140.6150.5160.6-93.3-163.3-3.400112.3
694A27.4Very low31.6Very low87 Ų87135.6 Ų135.672%0.71982%0.82SS**  trans74.1138.5154.200000121.8
695S30.3Very low31.6Very low105 Ų105138.1 Ų138.173%0.73482%0.816SS**  trans32.7122.5148.753.20000120.6
696Q28.4Very low30.8Very low190 Ų190139.6 Ų139.689%0.88881%0.813SS**  cis79.3133.834.8-159.6-1792500115.3
697A27.8Very low31.9Very low97 Ų97140.3 Ų140.380%0.80283%0.828SS**  trans72.9147.3-179.400000115.4
698S27.6Very low30.7Very low92 Ų92141.4 Ų141.464%0.64383%0.83SS**  cis-151.8172.65.140.70000114.1
699H28.7Very low30.8Very low178 Ų178143.5 Ų143.582%0.82483%0.83SS**  trans119.2145.1154.6-65.1-71.9000118.6
700Q32.8Very low31Very low182 Ų182144.7 Ų144.785%0.8583%0.829SS**  trans-106.6155.9-169.3-59.1166.5-71.500111.6
701P30.2Very low31Very low127 Ų127148.1 Ų148.183%0.82584%0.835SS**PPolyproline II helixtrans-85151.3161.435-32.4000112.1
702L29Very low31Very low176 Ų176150.8 Ų150.892%0.92183%0.833SS**PPolyproline II helixtrans-95.3153.6174.7-81.7161.1000112
703Y30.5Very low31.2Very low233 Ų233152.7 Ų152.791%0.91483%0.832SS**PPolyproline II helixtrans-81.8150.9166.3-91.4-98.2000111.3
704L29.8Very low31.3Very low171 Ų171149.9 Ų149.990%0.89583%0.827SS**  trans-140.7157.4160-110.1166.1000109.2
705N31.8Very low31.6Very low126 Ų126154.7 Ų154.767%0.67484%0.836SS**  trans-152.8153.7-156.6-156.119.2000110.9
706H28.6Very low31.7Very low148 Ų148158.8 Ų158.869%0.68584%0.844SS**  trans64.8166.9170.5-70.6-61.3000117
707P55.7Low32Very low186 Ų186156 Ų156100%1.20884%0.84SS**  cis-60.601.5-21.935.6000115.1

Retrieved 707 of 707 residues in 417.8 ms (Link to these results)