A0A077YXT2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXT2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 659 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
1M53.9Low52.9Low213 Ų213125 Ų125100%1.04965%0.651SS**  0-33.90-83.5-175.5155.700114W3 L4M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.28Å; M1-L4 PolarHBondContact O-N 3.26Å
2N58.4Low52.6Low145 Ų145120.4 Ų120.478%0.77564%0.637SS**Hα-helixtrans-60.5-31-175.9-72.4-1.8000116.2L4 C5 T6N2-L4 PolarHBondContact O-N 3.2Å; N2-C5 PolarHBondContact O-N 3.47Å; N2-T6 PolarHBondContact O-N 3.35Å
3W48.8Very low51.9Low210 Ų210122.8 Ų122.880%0.79564%0.639SS**Hα-helixtrans-72.7-27.6-175.7-151.459.8000114.1M1 T6 L7M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.28Å; W3-T6 PolarHBondContact O-OG1 3.33Å; W3-L7 HydrophobicContact CZ3-CD1 4.44Å; W3-L7 PolarHBondContact O-N 3.25Å
4L52.2Low51.4Low136 Ų136119.8 Ų119.871%0.71263%0.634SS**Hα-helixtrans-73.7-32.9176.6-83.9155.6000112M1 N2 L7 A8M1-L4 PolarHBondContact O-N 3.26Å; N2-L4 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-A8 PolarHBondContact O-N 3.32Å; L4-A8 VanDerWaalsContact O-N 3.16Å
5C55.9Low51Low84 Ų84117.8 Ų117.857%0.56863%0.634SS**Hα-helixtrans-68-37.6175.9-77.90000112.3N2 L7 A8 L9N2-C5 PolarHBondContact O-N 3.47Å; C5-L7 PolarHBondContact O-N 3.33Å; C5-A8 PolarHBondContact O-N 3.11Å; C5-L9 WeakPolarHBondContact O-CG 3.22Å; C5-L9 PolarHBondContact O-N 3.22Å; C5-L9 VanDerWaalsContact O-N 3.1Å
6T59.5Low50.7Low79 Ų79116.9 Ų116.949%0.48564%0.639SS.*Hα-helixtrans-66.4-37.3177.740.10000112.6N2 W3 F10N2-T6 PolarHBondContact O-N 3.35Å; W3-T6 PolarHBondContact O-OG1 3.33Å; T6-F10 PolarHBondContact O-N 3.22Å; T6-F10 VanDerWaalsContact O-N 3.09Å
7L49.4Very low50.2Low88 Ų88116.2 Ų116.246%0.46164%0.639SS.*Hα-helixtrans-69.4-40176.8-111.8156.9000112W3 L4 C5 L9 F10 V11W3-L7 HydrophobicContact CZ3-CD1 4.44Å; W3-L7 PolarHBondContact O-N 3.25Å; L4-L7 PolarHBondContact O-N 3.44Å; C5-L7 PolarHBondContact O-N 3.33Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.43Å; L7-F10 PolarHBondContact O-N 3.27Å; L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.83Å
8A51.4Low49.5Very low55 Ų55111.6 Ų111.646%0.45562%0.623SS.*Hα-helixtrans-63.8-38.4176.300000112.4L4 C5 S12L4-A8 PolarHBondContact O-N 3.32Å; L4-A8 VanDerWaalsContact O-N 3.16Å; C5-A8 PolarHBondContact O-N 3.11Å; A8-S12 WeakPolarHBondContact O-CB 3.42Å; A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3Å
9L54.1Low48.9Very low117 Ų117112.9 Ų112.961%0.61363%0.628SS**Hα-helixtrans-67.8-38174.4-72.8173.8000112.2C5 L7 S12 F13C5-L9 WeakPolarHBondContact O-CG 3.22Å; C5-L9 PolarHBondContact O-N 3.22Å; C5-L9 VanDerWaalsContact O-N 3.1Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.43Å; L9-S12 PolarHBondContact O-N 3.34Å; L9-F13 PolarHBondContact O-N 2.89Å
10F47.1Very low48.8Very low155 Ų155113 Ų11368%0.6863%0.627SS**Hα-helixtrans-67-41.6178.5-133.7-89.6000112.2T6 L7 S12 F13 S14T6-F10 PolarHBondContact O-N 3.22Å; T6-F10 VanDerWaalsContact O-N 3.09Å; L7-F10 PolarHBondContact O-N 3.27Å; F10-S12 VanDerWaalsContact C-N 3.34Å; F10-F13 PolarHBondContact O-N 3.12Å; F10-S14 PolarHBondContact O-N 2.84Å; F10-S14 PolarHBondContact O-OG 3.43Å; F10-S14 VanDerWaalsContact O-OG 3.1Å
11V51Low48.4Very low93 Ų93117.7 Ų117.756%0.56464%0.635SS**Hα-helixtrans-66.4-38.9175.4176.30000111L7 F13 S14 S15L7-V11 WeakPolarHBondContact O-CG2 3.47Å; L7-V11 PolarHBondContact O-N 2.83Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 3.06Å; V11-S14 PolarHBondContact O-N 3.01Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 VanDerWaalsContact O-N 3.09Å; V11-S15 PolarHBondContact O-OG 3.01Å
12S49.2Very low47.7Very low70 Ų70113.1 Ų113.149%0.4962%0.615SS.*Hα-helixtrans-65.4-36.6177.2-57.10000112.2A8 L9 F10 S15 S16A8-S12 WeakPolarHBondContact O-CB 3.42Å; A8-S12 PolarHBondContact O-N 3.46Å; A8-S12 PolarHBondContact O-OG 3Å; L9-S12 PolarHBondContact O-N 3.34Å; F10-S12 VanDerWaalsContact C-N 3.34Å; S12-S15 WeakPolarHBondContact CA-OG 3.24Å; S12-S15 PolarHBondContact O-N 2.9Å; S12-S15 PolarHBondContact O-OG 2.98Å; S12-S16 PolarHBondContact O-N 3.44Å
13F43.4Very low46.9Very low151 Ų151114.4 Ų114.466%0.66262%0.616SS**Hα-helixtrans-67.2-42174.3-118.7-92.9000111.8L9 F10 V11 S15 S16 V17L9-F13 PolarHBondContact O-N 2.89Å; F10-F13 PolarHBondContact O-N 3.12Å; V11-F13 VanDerWaalsContact C-N 3.33Å; V11-F13 PolarHBondContact O-N 3.06Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.94Å; F13-S16 PolarHBondContact O-N 2.7Å; F13-S16 VanDerWaalsContact O-N 3.17Å; F13-V17 HydrophobicContact CD1-CG2 4.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 3.19Å
14S44.7Very low46.6Very low81 Ų81114.2 Ų114.257%0.56662%0.615SS**Hα-helixtrans-65.5-29.1177.8-58.90000113.4F10 V11F10-S14 PolarHBondContact O-N 2.84Å; F10-S14 PolarHBondContact O-OG 3.43Å; F10-S14 VanDerWaalsContact O-OG 3.1Å; V11-S14 PolarHBondContact O-N 3.01Å
15S46.7Very low45.9Very low90 Ų90112 Ų11263%0.62960%0.603SS**Hα-helixtrans-79.1-25.5173.7470000113.9V11 S12 F13V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 VanDerWaalsContact O-N 3.09Å; V11-S15 PolarHBondContact O-OG 3.01Å; S12-S15 WeakPolarHBondContact CA-OG 3.24Å; S12-S15 PolarHBondContact O-N 2.9Å; S12-S15 PolarHBondContact O-OG 2.98Å; F13-S15 VanDerWaalsContact C-N 3.28Å; F13-S15 PolarHBondContact O-N 2.94Å
16S45.9Very low45Very low104 Ų104114.4 Ų114.473%0.72761%0.606SS**Hα-helixtrans-86.9-25.2178.1-1790000113S12 F13 G18S12-S16 PolarHBondContact O-N 3.44Å; F13-S16 PolarHBondContact O-N 2.7Å; F13-S16 VanDerWaalsContact O-N 3.17Å; S16-G18 PolarHBondContact O-N 3.3Å
17V42Very low44.1Very low104 Ų104115.4 Ų115.463%0.6361%0.614SS**SBendtrans-84.857.1165-166.20000107.3F13 L19F13-V17 HydrophobicContact CD1-CG2 4.37Å; F13-V17 WeakPolarHBondContact O-CG2 3.37Å; F13-V17 PolarHBondContact O-N 3.19Å; V17-L19 PolarHBondContact O-N 2.99Å
18G37.3Very low43.6Very low34 Ų34117.1 Ų117.135%0.35162%0.623SS.*  trans-55.9132.4170.100000108.8S16 D20S16-G18 PolarHBondContact O-N 3.3Å; G18-D20 PolarHBondContact O-N 3Å
19L39Very low42.9Very low136 Ų136120.5 Ų120.571%0.71263%0.628SS**SBendtrans18.2-12.5140.2-73.6151.6000122V17 W21 L22 E23V17-L19 PolarHBondContact O-N 2.99Å; L19-W21 PolarHBondContact O-N 3.49Å; L19-L22 HydrophobicContact CD2-CD1 4.38Å; L19-L22 PolarHBondContact O-N 3.28Å; L19-E23 PolarHBondContact O-N 3.09Å
20D45.1Very low42.2Very low115 Ų115121.6 Ų121.662%0.61563%0.633SS**Hα-helixtrans-57.8-30.3174.7-79.12.7000112.5G18 L22 R24G18-D20 PolarHBondContact O-N 3Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.05Å; D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.18Å; D20-R24 VanDerWaalsContact O-N 3.13Å
21W41Very low41.6Very low211 Ų211121.1 Ų121.180%0.79964%0.638SS**Hα-helixtrans-72.7-23.1177.1-16062.8000112.9L19L19-W21 PolarHBondContact O-N 3.49Å
22L38.9Very low41.1Very low118 Ų118125.4 Ų125.462%0.61864%0.644SS**Hα-helixtrans-82.9-30.9176.5-102.2143.2000112.4L19 D20 I25L19-L22 HydrophobicContact CD2-CD1 4.38Å; L19-L22 PolarHBondContact O-N 3.28Å; D20-L22 VanDerWaalsContact C-N 3.28Å; D20-L22 PolarHBondContact O-N 3.05Å; L22-I25 HydrophobicContact CD2-CD1 4.36Å
23E42.3Very low40.5Very low172 Ų172129.7 Ų129.780%0.80466%0.656SS**Hα-helixtrans-77.5-20.3171-79.9-171.4168.100113.4L19 I25L19-E23 PolarHBondContact O-N 3.09Å; E23-I25 VanDerWaalsContact C-N 3.32Å
24R42Very low40.3Very low205 Ų205129.4 Ų129.477%0.77466%0.66SS**THydrogen-bonded Turntrans-853.7174.1-80.6-172.9-178.9-176.72.9115.1D20 E26D20-R24 WeakPolarHBondContact O-CB 3.38Å; D20-R24 PolarHBondContact O-N 3.18Å; D20-R24 VanDerWaalsContact O-N 3.13Å; R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.37Å
25I38.3Very low39.8Very low91 Ų91132.3 Ų132.347%0.46766%0.664SS.*SBendtrans-70.896.4165.2-58.3178.5000105.9L22 E23 P27L22-I25 HydrophobicContact CD2-CD1 4.36Å; E23-I25 VanDerWaalsContact C-N 3.32Å; I25-P27 VanDerWaalsContact O-N 3.17Å
26E36.6Very low39.5Very low133 Ų133132.5 Ų132.562%0.62166%0.662SS**  trans-42.7122.5171.9-79.5-177.9156.400109R24 D28 F29R24-E26 VanDerWaalsContact C-N 3.26Å; R24-E26 PolarHBondContact O-N 3.37Å; E26-D28 PolarHBondContact O-N 3.22Å; E26-F29 PolarHBondContact O-N 3.38Å
27P40.5Very low39Very low101 Ų101135.8 Ų135.866%0.65666%0.663SS**G310 helixtrans-59.6-1318020.1-29.7000113.1I25 F29 I30I25-P27 VanDerWaalsContact O-N 3.17Å; P27-F29 PolarHBondContact O-N 3.06Å; P27-F29 VanDerWaalsContact O-N 3.14Å; P27-I30 PolarHBondContact O-N 3.26Å; P27-I30 VanDerWaalsContact O-N 3.07Å
28D39Very low38.7Very low123 Ų123138.3 Ų138.366%0.65867%0.668SS**G310 helixtrans-61.5-18175.1-72.57.9000113.8E26 I30 D31E26-D28 PolarHBondContact O-N 3.22Å; D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.23Å; D28-D31 PolarHBondContact O-N 2.98Å
29F37.3Very low38.6Very low127 Ų127144.5 Ų144.556%0.55769%0.687SS**G310 helixtrans-74.3-13.6174.4-105-93000114.3E26 P27E26-F29 PolarHBondContact O-N 3.38Å; P27-F29 PolarHBondContact O-N 3.06Å; P27-F29 VanDerWaalsContact O-N 3.14Å
30I38.4Very low38.5Very low140 Ų140145.5 Ų145.572%0.71869%0.689SS**G310 helixtrans-82.9-18.7178.6-55.5179.1000111.4P27 D28 R32P27-I30 PolarHBondContact O-N 3.26Å; P27-I30 VanDerWaalsContact O-N 3.07Å; D28-I30 VanDerWaalsContact C-N 3.25Å; D28-I30 PolarHBondContact O-N 3.23Å; I30-R32 PolarHBondContact O-N 3.25Å
31D35.9Very low38.1Very low145 Ų145145.6 Ų145.678%0.77569%0.693SS**G310 helixtrans-79.622.7173.2-86.9-3000113.5D28 E33D28-D31 PolarHBondContact O-N 2.98Å; D31-E33 PolarHBondContact O-N 3.34Å
32R40Very low37.8Very low182 Ų182145.3 Ų145.369%0.68769%0.692SS**SBendtrans-68.179.6160.6-77.3-171.7176.4-159.6-2.9109.1I30 I34I30-R32 PolarHBondContact O-N 3.25Å; R32-I34 PolarHBondContact O-N 3.43Å
33E36Very low37.9Very low160 Ų160144.2 Ų144.275%0.74869%0.692SS**  trans26.178.3143.4-154.6176.8-150.100111D31 Q35D31-E33 PolarHBondContact O-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.46Å
34I39.3Very low37.8Very low145 Ų145145.2 Ų145.274%0.74469%0.693SS**  trans-60.292.9168-60.8171.8000104.8R32 V36R32-I34 PolarHBondContact O-N 3.43Å; I34-V36 HydrophobicContact CG2-CG2 3.91Å; I34-V36 PolarHBondContact O-N 3.3Å
35Q35.2Very low37.8Very low142 Ų142141.2 Ų141.266%0.66470%0.697SS**  trans-65.787.4167.6-77.4-172.2200106.3E33 K37E33-Q35 PolarHBondContact O-N 3.46Å; Q35-K37 PolarHBondContact O-N 2.63Å
36V38.7Very low37.7Very low94 Ų94139.9 Ų139.957%0.5771%0.706SS**  trans-61.594.4165.7-178.60000105.3I34 E38I34-V36 HydrophobicContact CG2-CG2 3.91Å; I34-V36 PolarHBondContact O-N 3.3Å; V36-E38 HydrophobicContact CG1-CG 4.1Å; V36-E38 PolarHBondContact O-N 3.21Å
37K36.9Very low37.7Very low174 Ų174143.5 Ų143.576%0.75772%0.719SS**  trans-66.888.9168-81.7-176.8176.7175.80106.7Q35 Q39Q35-K37 PolarHBondContact O-N 2.63Å; K37-Q39 PolarHBondContact O-N 3.17Å
38E35Very low37.7Very low156 Ų156143 Ų14373%0.72972%0.723SS**  trans-63.883168.1-76-167.4145.900108.8V36 Q40V36-E38 HydrophobicContact CG1-CG 4.1Å; V36-E38 PolarHBondContact O-N 3.21Å; E38-Q40 PolarHBondContact O-N 2.91Å; E38-Q40 VanDerWaalsContact O-N 3.17Å
39Q35.4Very low37.6Very low164 Ų164145.4 Ų145.477%0.76673%0.73SS**  trans-78.297.5164.2-85.1-173-4.100108.1K37 V41K37-Q39 PolarHBondContact O-N 3.17Å; Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.48Å
40Q36.3Very low37.5Very low158 Ų158146.1 Ų146.174%0.73875%0.745SS**  trans-62.294160.3-107.6-176.11400108.4E38 R42E38-Q40 PolarHBondContact O-N 2.91Å; E38-Q40 VanDerWaalsContact O-N 3.17Å; Q40-R42 VanDerWaalsContact C-N 3.33Å; Q40-R42 PolarHBondContact O-N 2.74Å
41V36.9Very low37.2Very low116 Ų116142.1 Ų142.170%0.70374%0.739SS**  trans-71.492.6172.4-177.40000107.5Q39 P43Q39-V41 VanDerWaalsContact C-N 3.28Å; Q39-V41 PolarHBondContact O-N 3.48Å; V41-P43 WeakPolarHBondContact O-CD 3.46Å
42R35.7Very low37.2Very low206 Ų206139.5 Ų139.578%0.77774%0.738SS**PPolyproline II helixtrans-65.4123167.3-74.1-175.5179.3173.60.5107.9Q40 K44Q40-R42 VanDerWaalsContact C-N 3.33Å; Q40-R42 PolarHBondContact O-N 2.74Å; R42-K44 PolarHBondContact O-N 3.04Å
43P40.5Very low37.3Very low94 Ų94138.5 Ų138.561%0.6175%0.746SS**PPolyproline II helixtrans-59.5128.3170.522.9-29.8000108.5V41 S45V41-P43 WeakPolarHBondContact O-CD 3.46Å; P43-S45 PolarHBondContact O-N 3.18Å; P43-S45 VanDerWaalsContact O-N 3.14Å
44K40.6Very low37.5Very low194 Ų194135.3 Ų135.384%0.84374%0.741SS**PPolyproline II helixtrans-57.7120.1171.6-71.7-177.3176.5-176.80107.1R42 G46R42-K44 PolarHBondContact O-N 3.04Å; K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 3.09Å
45S40.7Very low37.5Very low121 Ų121133.1 Ų133.185%0.84674%0.739SS**  trans-57.795.4172.654.80000108.5P43 K47P43-S45 PolarHBondContact O-N 3.18Å; P43-S45 VanDerWaalsContact O-N 3.14Å; S45-K47 PolarHBondContact O-N 3.36Å
46G37.6Very low37.8Very low63 Ų63131.8 Ų131.865%0.64975%0.745SS**  trans-61.4132.416500000107.2K44 A48K44-G46 VanDerWaalsContact C-N 3.3Å; K44-G46 PolarHBondContact O-N 3.09Å; G46-A48 PolarHBondContact O-N 3.28Å
47K35.1Very low37.8Very low209 Ų209129.4 Ų129.491%0.90974%0.74SS**  trans-54.292.6166.3-80.4178171.6179.70107.6S45 E49S45-K47 PolarHBondContact O-N 3.36Å; K47-E49 PolarHBondContact O-N 3.46Å; K47-E49 VanDerWaalsContact O-N 3.17Å
48A40.2Very low38Very low89 Ų89128 Ų12874%0.73674%0.736SS**  trans-76.9100167.100000105.7G46 T50G46-A48 PolarHBondContact O-N 3.28Å; A48-T50 PolarHBondContact O-N 3.2Å
49E37.7Very low38.2Very low174 Ų174127.8 Ų127.881%0.81373%0.733SS**  trans-52.6129.5163.1-66.8174.8157.700108.6K47K47-E49 PolarHBondContact O-N 3.46Å; K47-E49 VanDerWaalsContact O-N 3.17Å
50T35Very low38.5Very low142 Ų142125.2 Ų125.287%0.87172%0.719SS**SBendtrans46.593.6152.852.50000116.8A48A48-T50 PolarHBondContact O-N 3.2Å
51G33.1Very low38.8Very low56 Ų56119.7 Ų119.758%0.57771%0.705SS**  trans176.8101.4164.600000111.4
52A36.1Very low39.2Very low91 Ų91121.6 Ų121.675%0.75270%0.699SS**THydrogen-bonded Turntrans-41.5142.9169.900000112.1S54A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.03Å
53D40.8Very low39.7Very low161 Ų161115.7 Ų115.786%0.86169%0.686SS**THydrogen-bonded Turntrans66.316.4161.9-48.3-24.4000118.4S55D53-S55 PolarHBondContact O-N 2.95Å
54S40.4Very low40.2Very low92 Ų92114 Ų11464%0.64367%0.674SS**  trans-76.283.8160.856.40000108.8A52 S56A52-S54 VanDerWaalsContact C-N 3.34Å; A52-S54 PolarHBondContact O-N 3.03Å; S54-S56 VanDerWaalsContact C-N 3.35Å; S54-S56 PolarHBondContact O-N 3.26Å
55S40.4Very low40.9Very low100 Ų100110 Ų11070%0.69966%0.661SS**  trans-47.9107.9161.359.80000106.1D53 G57D53-S55 PolarHBondContact O-N 2.95Å; S55-G57 PolarHBondContact O-N 3.07Å
56S41.4Very low41.4Very low113 Ų113106.1 Ų106.179%0.7963%0.634SS**  trans-63.293.4179.2450000106.1S54 Q58S54-S56 VanDerWaalsContact C-N 3.35Å; S54-S56 PolarHBondContact O-N 3.26Å; S56-Q58 VanDerWaalsContact C-N 3.33Å; S56-Q58 PolarHBondContact O-N 3.08Å
57G37.5Very low42Very low45 Ų45111.6 Ų111.646%0.46464%0.635SS.*  trans-56.2104.2177.400000106.1S55 F59S55-G57 PolarHBondContact O-N 3.07Å; G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.33Å; G57-F59 PolarHBondContact O-N 3.46Å
58Q40.9Very low43.1Very low143 Ų143108.3 Ų108.367%0.66862%0.617SS**  trans-67.1100.1-178.5-150.3167.716.800104.9S56 F60S56-Q58 VanDerWaalsContact C-N 3.33Å; S56-Q58 PolarHBondContact O-N 3.08Å; Q58-F60 HydrophobicContact CB-CD2 4.44Å; Q58-F60 HydrophobicContact CB-CE2 3.75Å; Q58-F60 HydrophobicContact CB-CZ 4Å; Q58-F60 HydrophobicContact CG-CE1 4.41Å; Q58-F60 HydrophobicContact CG-CE2 4.12Å; Q58-F60 HydrophobicContact CG-CZ 3.84Å; Q58-F60 WeakPolarHBondContact O-CD2 3.32Å; Q58-F60 WeakPolarHBondContact O-CE2 3.47Å; Q58-F60 PolarHBondContact O-N 2.91Å
59F40.3Very low43.8Very low152 Ų152110.1 Ų110.167%0.66762%0.621SS**  trans-68.3103-179-93.1-91.8000108.1G57 G61G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.33Å; G57-F59 PolarHBondContact O-N 3.46Å; F59-G61 VanDerWaalsContact C-N 3.3Å; F59-G61 PolarHBondContact O-N 2.89Å
60F41.4Very low45.1Very low111 Ų111106.5 Ų106.549%0.48763%0.63SS.*EExtended strand (participates in β ladder)trans-89.173.9170-62.7-77.9000108.4Q58 H82Q58-F60 HydrophobicContact CB-CD2 4.44Å; Q58-F60 HydrophobicContact CB-CE2 3.75Å; Q58-F60 HydrophobicContact CB-CZ 4Å; Q58-F60 HydrophobicContact CG-CE1 4.41Å; Q58-F60 HydrophobicContact CG-CE2 4.12Å; Q58-F60 HydrophobicContact CG-CZ 3.84Å; Q58-F60 WeakPolarHBondContact O-CD2 3.32Å; Q58-F60 WeakPolarHBondContact O-CE2 3.47Å; Q58-F60 PolarHBondContact O-N 2.91Å; F60-H82 HydrophobicContact CB-CB 4.18Å; F60-H82 VanDerWaalsContact O-CB 3.31Å; F60-H82 WeakPolarHBondContact O-CB 3.26Å; F60-H82 PolarHBondContact O-CD2 3.47Å; F60-H82 PolarHBondContact O-N 2.94Å; F60-H82 VanDerWaalsContact O-N 3.13Å
61G43.5Very low45.8Very low42 Ų42101.4 Ų101.443%0.43360%0.6SS.*EExtended strand (participates in β ladder)trans-79.5126.7164.500000109.2F59 Y80F59-G61 VanDerWaalsContact C-N 3.3Å; F59-G61 PolarHBondContact O-N 2.89Å; G61-Y80 CarbonylContact C-O 3.6Å; G61-Y80 VanDerWaalsContact CA-O 3.26Å; G61-Y80 WeakPolarHBondContact CA-O 3.28Å
62R44.3Very low47.1Very low156 Ų156106.1 Ų106.159%0.58961%0.611SS**EExtended strand (participates in β ladder)trans-100.1119.1163.4-72.1-176.1176.3179.8-2.8107.9Y80R62-Y80 PolarHBondContact N-O 3.4Å; R62-Y80 PolarHBondContact O-N 3.12Å
63T47.3Very low48.1Very low82 Ų82110.5 Ų110.550%0.50362%0.616SS.*EExtended strand (participates in β ladder)trans-98.9111.6171.5-52.10000107.9I65 I77 H78T63-I65 HydrophobicContact CG2-CG1 4.26Å; T63-I77 HydrophobicContact CG2-CG2 3.55Å; T63-H78 WeakPolarHBondContact CA-O 3.27Å
64V49.7Very low48.5Very low57 Ų57107.5 Ų107.535%0.34560%0.597SS.*EExtended strand (participates in β ladder)trans-98.4127.1173.4-177.30000107.6I77 H78 Y80V64-I77 WeakPolarHBondContact O-CA 3.44Å; V64-H78 HydrophobicContact CB-CB 4.5Å; V64-H78 PolarHBondContact N-O 3.35Å; V64-H78 PolarHBondContact O-N 3.35Å; V64-Y80 HydrophobicContact CB-CE2 4.39Å; V64-Y80 HydrophobicContact CG2-CD2 4.22Å; V64-Y80 HydrophobicContact CG2-CE2 3.99Å
65I54.9Low48.9Very low111 Ų111106.7 Ų106.757%0.56959%0.588SS**EExtended strand (participates in β ladder)trans-111.7106.5178.4-58.8-179.8000106.6T63 V75 E76 I77T63-I65 HydrophobicContact CG2-CG1 4.26Å; I65-V75 HydrophobicContact CG2-CG1 3.13Å; I65-E76 CarbonylContact C-O 3.54Å; I65-E76 WeakPolarHBondContact CA-O 3.46Å; I65-I77 HydrophobicContact CG1-CG1 4.42Å; I65-I77 HydrophobicContact CG1-CG2 4.49Å
66S51.8Low49.6Very low40 Ų40106.4 Ų106.428%0.2858%0.576SS.*EExtended strand (participates in β ladder)trans-109.914117940.10000110.3V75 E76S66-V75 CarbonylContact O-C 3.56Å; S66-V75 WeakPolarHBondContact O-CA 3.22Å; S66-E76 PolarHBondContact N-O 3.27Å; S66-E76 PolarHBondContact O-N 2.99Å
67R49.8Very low50.2Low178 Ų178106.3 Ų106.367%0.67257%0.565SS**EExtended strand (participates in β ladder)trans-79.7138.6166.5-75.9-175.1177.9-173.9-2.4108.8V75R67-V75 HydrophobicContact CG-CG2 4.36Å
68R59Low50.7Low140 Ų140107.2 Ų107.253%0.52856%0.557SS.*PPolyproline II helixtrans-69129.6176-164.4178.2-170.31773.2109.3G70 S71 E74R68-G70 PolarHBondContact O-N 3.21Å; R68-S71 PolarHBondContact O-N 3.13Å; R68-S71 VanDerWaalsContact O-N 3.12Å; R68-E74 HydrophobicContact CB-CB 4.24Å; R68-E74 VanDerWaalsContact CD-OE2 3.23Å; R68-E74 WeakPolarHBondContact CD-OE2 3.49Å; R68-E74 IonicContact CZ-OE2 3.83Å; R68-E74 PolarHBondContact N-O 3.21Å; R68-E74 VanDerWaalsContact N-O 3.11Å; R68-E74 IonicContact NE-OE2 3.97Å; R68-E74 IonicContact NH1-OE2 2.87Å; R68-E74 PolarHBondContact NH1-OE2 3.46Å
69P54.8Low51.2Low127 Ų127106.4 Ų106.483%0.82555%0.553SS**THydrogen-bonded Turntrans-55.7129.7175.2-21.530.8000110.4
70G65.4Low51.5Low97 Ų97105.3 Ų105.3100%155%0.545SS*.THydrogen-bonded Turntrans85.2-0.5-179.800000115.9R68R68-G70 PolarHBondContact O-N 3.21Å
71S49.9Very low51.9Low35 Ų35106 Ų10625%0.24555%0.551CS.*  trans-119.7126.1175.5178.30000111.4R68 E73 E74R68-S71 PolarHBondContact O-N 3.13Å; R68-S71 VanDerWaalsContact O-N 3.12Å; S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 PolarHBondContact OG-N 3.04Å; S71-E74 VanDerWaalsContact OG-CB 3.27Å; S71-E74 WeakPolarHBondContact OG-CB 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 2.62Å
72L58.8Low51.9Low156 Ų156108.9 Ų108.982%0.81755%0.552SS**SBendtrans-77.1-21.1174.6-97.5158.9000112.7
73E57.7Low51.9Low182 Ų182109.8 Ų109.885%0.8556%0.563SS**SBendtrans-115.7-22.9-168.6-66.8-176.6172.500113.6S71S71-E73 VanDerWaalsContact C-N 3.33Å; S71-E73 PolarHBondContact OG-N 3.04Å
74E49.2Very low51.7Low99 Ų99110.6 Ų110.646%0.46357%0.57SS.*  trans-86.9124.6-178.8-66.2-175.1174.500112.2R68 S71R68-E74 HydrophobicContact CB-CB 4.24Å; R68-E74 VanDerWaalsContact CD-OE2 3.23Å; R68-E74 WeakPolarHBondContact CD-OE2 3.49Å; R68-E74 IonicContact CZ-OE2 3.83Å; R68-E74 PolarHBondContact N-O 3.21Å; R68-E74 VanDerWaalsContact N-O 3.11Å; R68-E74 IonicContact NE-OE2 3.97Å; R68-E74 IonicContact NH1-OE2 2.87Å; R68-E74 PolarHBondContact NH1-OE2 3.46Å; S71-E74 VanDerWaalsContact OG-CB 3.27Å; S71-E74 WeakPolarHBondContact OG-CB 3.23Å; S71-E74 WeakPolarHBondContact OG-CG 3.43Å; S71-E74 PolarHBondContact OG-N 2.62Å
75V49.6Very low51.3Low75 Ų75111.8 Ų111.846%0.45558%0.581SS.*EExtended strand (participates in β ladder)trans-116.9124.2175.9-1780000108.4I65 S66 R67 I77I65-V75 HydrophobicContact CG2-CG1 3.13Å; S66-V75 CarbonylContact O-C 3.56Å; S66-V75 WeakPolarHBondContact O-CA 3.22Å; R67-V75 HydrophobicContact CG-CG2 4.36Å; V75-I77 HydrophobicContact CG1-CG1 4.47Å
76E53.9Low50.8Low94 Ų94110.7 Ų110.744%0.43958%0.583SS.*EExtended strand (participates in β ladder)trans-93.4131.4175.1-162.7170-169.900109.4I65 S66 H78I65-E76 CarbonylContact C-O 3.54Å; I65-E76 WeakPolarHBondContact CA-O 3.46Å; S66-E76 PolarHBondContact N-O 3.27Å; S66-E76 PolarHBondContact O-N 2.99Å; E76-H78 VanDerWaalsContact CD-CE1 3.5Å; E76-H78 VanDerWaalsContact CD-NE2 3.33Å; E76-H78 IonicContact OE1-CE1 3.2Å; E76-H78 PolarHBondContact OE1-CE1 3.34Å; E76-H78 IonicContact OE1-NE2 3.5Å; E76-H78 PolarHBondContact OE1-NE2 2.98Å; E76-H78 IonicContact OE2-NE2 3.78Å
77I54.7Low50.3Low111 Ų111117.2 Ų117.257%0.56961%0.606SS**EExtended strand (participates in β ladder)trans-117.3110.8-177.8-56176000107.9T63 V64 I65 V75T63-I77 HydrophobicContact CG2-CG2 3.55Å; V64-I77 WeakPolarHBondContact O-CA 3.44Å; I65-I77 HydrophobicContact CG1-CG1 4.42Å; I65-I77 HydrophobicContact CG1-CG2 4.49Å; V75-I77 HydrophobicContact CG1-CG1 4.47Å
78H48.4Very low50Low64 Ų64116.8 Ų116.830%0.29661%0.612SS.*EExtended strand (participates in β ladder)trans-100.4113.1173.8-61.4-70.4000109.8T63 V64 E76 Y80T63-H78 WeakPolarHBondContact CA-O 3.27Å; V64-H78 HydrophobicContact CB-CB 4.5Å; V64-H78 PolarHBondContact N-O 3.35Å; V64-H78 PolarHBondContact O-N 3.35Å; E76-H78 VanDerWaalsContact CD-CE1 3.5Å; E76-H78 VanDerWaalsContact CD-NE2 3.33Å; E76-H78 IonicContact OE1-CE1 3.2Å; E76-H78 PolarHBondContact OE1-CE1 3.34Å; E76-H78 IonicContact OE1-NE2 3.5Å; E76-H78 PolarHBondContact OE1-NE2 2.98Å; E76-H78 IonicContact OE2-NE2 3.78Å; H78-Y80 HydrophobicContact CB-CD2 4.3Å; H78-Y80 HydrophobicContact CB-CE2 3.58Å
79E50.9Low49.1Very low126 Ų126116.1 Ų116.159%0.58962%0.618SS**EExtended strand (participates in β ladder)trans-96.9107.2173.1-166.5-173.8152.100109.8Q81E79-Q81 PolarHBondContact OE1-NE2 3.09Å
80Y46.6Very low48.2Very low128 Ų128116.1 Ų116.150%0.50261%0.61SS.*EExtended strand (participates in β ladder)trans-92.9105.8174.4-61.4-83.8000109.3G61 R62 V64 H78 H82G61-Y80 CarbonylContact C-O 3.6Å; G61-Y80 VanDerWaalsContact CA-O 3.26Å; G61-Y80 WeakPolarHBondContact CA-O 3.28Å; R62-Y80 PolarHBondContact N-O 3.4Å; R62-Y80 PolarHBondContact O-N 3.12Å; V64-Y80 HydrophobicContact CB-CE2 4.39Å; V64-Y80 HydrophobicContact CG2-CD2 4.22Å; V64-Y80 HydrophobicContact CG2-CE2 3.99Å; H78-Y80 HydrophobicContact CB-CD2 4.3Å; H78-Y80 HydrophobicContact CB-CE2 3.58Å; Y80-H82 PolarHBondContact O-N 3.25Å
81Q50.7Low46.9Very low127 Ų127122.4 Ų122.459%0.59360%0.604SS**EExtended strand (participates in β ladder)trans-82.1104.9169.7-69.6-178.3600109.3E79 Q83E79-Q81 PolarHBondContact OE1-NE2 3.09Å; Q81-Q83 PolarHBondContact O-N 3.1Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å
82H42.5Very low46.2Very low101 Ų101125 Ų12547%0.46863%0.627SS.*EExtended strand (participates in β ladder)trans-69.9106.4165-74.2-83.8000108.4F60 Y80F60-H82 HydrophobicContact CB-CB 4.18Å; F60-H82 VanDerWaalsContact O-CB 3.31Å; F60-H82 WeakPolarHBondContact O-CB 3.26Å; F60-H82 PolarHBondContact O-CD2 3.47Å; F60-H82 PolarHBondContact O-N 2.94Å; F60-H82 VanDerWaalsContact O-N 3.13Å; Y80-H82 PolarHBondContact O-N 3.25Å
83Q44.7Very low45.1Very low175 Ų175121.8 Ų121.882%0.81862%0.623SS**PPolyproline II helixtrans-64.3128.4158.4-73.7-163-7.600107.6Q81 S85Q81-Q83 PolarHBondContact O-N 3.1Å; Q81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-S85 PolarHBondContact O-N 3.06Å; Q83-S85 VanDerWaalsContact O-N 3.12Å
84P43.2Very low43.9Very low100 Ų100116.8 Ų116.865%0.64961%0.613SS**PPolyproline II helixtrans-55.6123.8173.421.8-30.6000108.1S86P84-S86 PolarHBondContact O-N 3.1Å
85S41.7Very low42.9Very low81 Ų81117 Ų11757%0.56663%0.625SS**PPolyproline II helixtrans-58.4127.1-179.688.40000108.3Q83 K87 E88Q83-S85 PolarHBondContact O-N 3.06Å; Q83-S85 VanDerWaalsContact O-N 3.12Å; S85-K87 PolarHBondContact O-N 3.37Å; S85-E88 PolarHBondContact O-N 3.02Å
86S44.4Very low42.3Very low89 Ų89119.5 Ų119.562%0.62264%0.643SS**THydrogen-bonded Turntrans-61.6-2.7-176.850.90000114.3P84P84-S86 PolarHBondContact O-N 3.1Å
87K40.7Very low41.3Very low176 Ų176120.4 Ų120.477%0.76566%0.659SS**THydrogen-bonded Turntrans-72.8-28.5179.8-75-175.3176179.20113.7S85S85-K87 PolarHBondContact O-N 3.37Å
88E42.4Very low40.1Very low169 Ų169125.2 Ų125.279%0.7968%0.676SS**SBendtrans-81.1-24.4178.7-85.4-176.3158.500113.8S85 I90S85-E88 PolarHBondContact O-N 3.02Å; E88-I90 PolarHBondContact O-N 3.5Å
89L40.4Very low39.1Very low126 Ų126125 Ų12566%0.6669%0.691SS**THydrogen-bonded Turntrans-70.8-17.2177.4-87.6159.7000113.7
90I37.1Very low38Very low127 Ų127124.1 Ų124.165%0.65170%0.699SS**THydrogen-bonded Turntrans-83.2-17.7-176.8-58.6173.8000112.3E88E88-I90 PolarHBondContact O-N 3.5Å
91R37.9Very low37.2Very low230 Ų230123.8 Ų123.887%0.86872%0.715SS**THydrogen-bonded Turntrans-81.9-23.7178.5-90.1-173.7-174.2169.92.9114.8A93R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 3.2Å
92A35Very low36.3Very low90 Ų90127.2 Ų127.274%0.74473%0.728SS**THydrogen-bonded Turntrans-76.6-19.4-178.600000113.6
93A35.2Very low35.6Very low88 Ų88128.5 Ų128.573%0.72775%0.749SS**THydrogen-bonded Turntrans-91.1-2.2-178.600000114.3R91 S95R91-A93 VanDerWaalsContact C-N 3.33Å; R91-A93 PolarHBondContact O-N 3.2Å; A93-S95 PolarHBondContact O-N 2.96Å
94A32.7Very low34.9Very low77 Ų77124.1 Ų124.164%0.63674%0.743SS**  trans-97.150.5-176.800000112.6
95S29.2Very low34.3Very low103 Ų103125 Ų12572%0.7275%0.748SS**  trans-106104.4159.2-710000107.3A93 S97A93-S95 PolarHBondContact O-N 2.96Å; S95-S97 PolarHBondContact O-N 3.35Å
96P35.2Very low33.8Very low128 Ų128130.2 Ų130.283%0.83176%0.764SS**  trans-71.994.8-172.728.4-33000110.2K98P96-K98 PolarHBondContact O-N 3.48Å
97S33.2Very low33.2Very low112 Ų112131.4 Ų131.478%0.78377%0.767SS**  trans-73.9109.9158590000107.8S95 G99S95-S97 PolarHBondContact O-N 3.35Å; S97-G99 PolarHBondContact O-N 3.42Å
98K30.2Very low32.6Very low213 Ų213133.8 Ų133.893%0.92677%0.771SS**  trans-54108.3164.4-72.8175.1174.6176.30107.9P96P96-K98 PolarHBondContact O-N 3.48Å
99G28.1Very low32.1Very low59 Ų59134.6 Ų134.661%0.60877%0.772SS**  trans-175.788.7-178.600000114.2S97S97-G99 PolarHBondContact O-N 3.42Å
100S27.6Very low31.5Very low108 Ų108136.8 Ų136.876%0.75578%0.779SS**  trans48.9109.8153.268.10000119.2K102S100-K102 PolarHBondContact O-N 3.49Å; S100-K102 VanDerWaalsContact O-N 3.13Å
101S28.7Very low31.1Very low120 Ų120142.2 Ų142.284%0.83979%0.791SS**  trans-20103.7147.254.90000115.7
102K31.6Very low30.6Very low199 Ų199140 Ų14087%0.86579%0.791SS**  trans-129.5100146.1-82.7-173.9178.4176.70107.6S100 A104S100-K102 PolarHBondContact O-N 3.49Å; S100-K102 VanDerWaalsContact O-N 3.13Å; K102-A104 PolarHBondContact O-N 3.41Å
103S28.9Very low30.3Very low128 Ų128141.8 Ų141.890%0.89579%0.792SS**  trans-58.497171.852.30000109.8
104A29.5Very low29.9Very low84 Ų84145.9 Ų145.969%0.69480%0.798SS**  trans-101.7128.2165.100000108.2K102 Q106K102-A104 PolarHBondContact O-N 3.41Å; A104-Q106 PolarHBondContact O-N 3.16Å
105P30.7Very low29.7Very low118 Ų118147.8 Ų147.877%0.76680%0.802SS**  trans-69.4123.6-169.226.6-32.5000111.3V107P105-V107 PolarHBondContact O-N 3.49Å
106Q31Very low29.5Very low190 Ų190146 Ų14689%0.88880%0.801SS**  trans-63.9100.5170.1-78.7-178.9-23.700109.8A104 R108A104-Q106 PolarHBondContact O-N 3.16Å; Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.44Å
107V32.1Very low29.1Very low115 Ų115148.3 Ų148.370%0.69780%0.8SS**  trans-75.785.9169.3-174.90000108.2P105 K109P105-V107 PolarHBondContact O-N 3.49Å; V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 HydrophobicContact CG1-CG 4.14Å; V107-K109 PolarHBondContact O-N 2.87Å
108R28.8Very low28.8Very low225 Ų225149 Ų14985%0.84981%0.805SS**  trans-68.985.5175.1-166.5178.6-171.7171.71.5109.4Q106 Q110Q106-R108 VanDerWaalsContact C-N 3.29Å; Q106-R108 PolarHBondContact O-N 3.44Å; R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å
109K30.8Very low28.6Very low186 Ų186142.3 Ų142.381%0.80980%0.796SS**  trans-77.484.9170.4-77.1-178.4175.1175.30109.8V107 R111V107-K109 VanDerWaalsContact C-N 3.35Å; V107-K109 HydrophobicContact CG1-CG 4.14Å; V107-K109 PolarHBondContact O-N 2.87Å; K109-R111 PolarHBondContact O-N 3.4Å
110Q27.8Very low28.5Very low172 Ų172144 Ų14480%0.80481%0.805SS**  trans-69.698.9165.5-170.9176.12.800107.9R108R108-Q110 VanDerWaalsContact C-N 3.32Å; R108-Q110 PolarHBondContact O-N 3.02Å
111R29.2Very low28.3Very low241 Ų241142.5 Ų142.591%0.90981%0.806SS**  trans-91.8119.8170.6-100.9-176.1165.6-135-3109.1K109K109-R111 PolarHBondContact O-N 3.4Å
112Q27Very low28.4Very low184 Ų184145.2 Ų145.286%0.8681%0.81SS**  trans-50.5129.2179.5-77.7162.5-37.100112M114Q112-M114 PolarHBondContact O-N 3.23Å
113V29.7Very low28Very low127 Ų127140.7 Ų140.777%0.7780%0.804SS**  trans-70.1105.5161.21770000106.1T115V113-T115 PolarHBondContact O-N 3.46Å
114M25.9Very low27.9Very low175 Ų175144.8 Ų144.886%0.86280%0.8SS**  trans-71.397.4168.6-82-168.766.800108.4Q112 G116Q112-M114 PolarHBondContact O-N 3.23Å; M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.72Å; M114-G116 VanDerWaalsContact O-N 3.09Å
115T28.2Very low27.8Very low116 Ų116147.8 Ų147.871%0.71281%0.809SS**  trans-71.587.8160.820.40000107.6V113V113-T115 PolarHBondContact O-N 3.46Å
116G26.5Very low27.8Very low67 Ų67146.3 Ų146.369%0.69180%0.802SS**  trans-75.9127.1176.800000111.3M114M114-G116 VanDerWaalsContact C-N 3.29Å; M114-G116 PolarHBondContact O-N 2.72Å; M114-G116 VanDerWaalsContact O-N 3.09Å
117H26.3Very low27.8Very low175 Ų175141.9 Ų141.981%0.8179%0.792SS**  trans-65.9144.6-168.8-59.5-44000115.3G119H117-G119 PolarHBondContact O-N 2.85Å
118S25.3Very low27.9Very low128 Ų128147.5 Ų147.590%0.89580%0.8SS**  trans-61.390.515835.30000109.9A120S118-A120 PolarHBondContact O-N 2.99Å
119G26.3Very low28.2Very low72 Ų72140.5 Ų140.574%0.74279%0.791SS**  trans-79.5109.9173.800000111H117H117-G119 PolarHBondContact O-N 2.85Å
120A27.2Very low28.2Very low95 Ų95137.7 Ų137.779%0.78578%0.78SS**  trans-53.3153.6169.800000112.6S118S118-A120 PolarHBondContact O-N 2.99Å
121G23.9Very low28.4Very low76 Ų76133.7 Ų133.778%0.78477%0.768SS**  trans-52.5137.2-172.300000115.2
122L29Very low28.5Very low176 Ų176129.5 Ų129.592%0.92176%0.758SS**  trans-128.298.3158.5-75.2171.6000108.2
123S23.5Very low28.8Very low105 Ų105124.7 Ų124.773%0.73475%0.75SS**  trans-59.7150.4155.6174.90000110
124R27Very low29.1Very low214 Ų214127 Ų12781%0.80875%0.752SS**SBendtrans96.694.8166.5-59.3-178.7175.5-177.2-2.4117.6S126R124-S126 PolarHBondContact O-N 3.3Å
125T27.8Very low29.5Very low146 Ų146123.6 Ų123.690%0.89674%0.737SS**  44.676.1126.862.70000116.5
126S29.8Very low29.6Very low87 Ų87121.5 Ų121.561%0.60874%0.738SS**  trans-122.9136.9157.550.20000110.4R124R124-S126 PolarHBondContact O-N 3.3Å
127S32.7Very low30.2Very low97 Ų97125.2 Ų125.268%0.67874%0.742SS**  trans-58.4150.2-166.743.30000115A129 E130S127-A129 PolarHBondContact O-N 3.34Å; S127-E130 PolarHBondContact O-N 3.18Å
128R33.7Very low30.8Very low234 Ų234121.3 Ų121.388%0.88374%0.74SS**THydrogen-bonded Turntrans-33.5-12.1177.8-167.5171.8178.7164.7-0.4119.1
129A34.2Very low31.3Very low78 Ų78117.4 Ų117.465%0.64572%0.72SS**THydrogen-bonded Turntrans-80.7-24.8179.200000114S127S127-A129 PolarHBondContact O-N 3.34Å
130E31.8Very low31.8Very low127 Ų127123 Ų12359%0.59372%0.724SS**SBendtrans-86.9-18.2-178.1-77.7-17515100114.3S127 E132 A133 Q134S127-E130 PolarHBondContact O-N 3.18Å; E130-E132 VanDerWaalsContact C-N 3.25Å; E130-E132 PolarHBondContact O-N 2.85Å; E130-A133 PolarHBondContact O-N 3.08Å; E130-Q134 PolarHBondContact O-N 3.24Å
131V32.4Very low32.5Very low88 Ų88125.2 Ų125.253%0.53372%0.721SS.*Hα-helixtrans-69.1-27.4178.4-176.90000111.4A133 Q134 L135V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.06Å; V131-Q134 PolarHBondContact O-N 3.26Å; V131-L135 PolarHBondContact O-N 2.91Å
132E30.7Very low33.1Very low153 Ų153130.5 Ų130.572%0.71573%0.726SS**Hα-helixtrans-74.1-16.3175.3-75.1-172.4166.800113.8E130E130-E132 VanDerWaalsContact C-N 3.25Å; E130-E132 PolarHBondContact O-N 2.85Å
133A32.9Very low33.4Very low82 Ų82124 Ų12468%0.67870%0.702SS**Hα-helixtrans-86.9-27.6174.300000112.6E130 V131E130-A133 PolarHBondContact O-N 3.08Å; V131-A133 VanDerWaalsContact C-N 3.29Å; V131-A133 PolarHBondContact O-N 3.06Å
134Q35.6Very low34.3Very low177 Ų177123.8 Ų123.883%0.82770%0.7SS**Hα-helixtrans-81.3-25.8178.1-73.7-167.4-7.600113.4E130 V131E130-Q134 PolarHBondContact O-N 3.24Å; V131-Q134 PolarHBondContact O-N 3.26Å
135L35.1Very low35.2Very low103 Ų103123.9 Ų123.954%0.53970%0.7SS.*SBendtrans-89.1104163.3-66.8166.9000106.1V131 L137V131-L135 PolarHBondContact O-N 2.91Å; L135-L137 HydrophobicContact CB-CD1 4.08Å; L135-L137 HydrophobicContact CB-CG 4.38Å; L135-L137 PolarHBondContact O-N 2.96Å
136G29.3Very low36Very low72 Ų72122.8 Ų122.874%0.74269%0.685SS**  trans-61.242.7-177.600000116.4A138G136-A138 VanDerWaalsContact C-N 3.31Å
137L40.5Very low36.6Very low145 Ų145129.4 Ų129.476%0.75970%0.697SS**THydrogen-bonded Turntrans-79-11.7177-71.1167000112.4L135 G139L135-L137 HydrophobicContact CB-CD1 4.08Å; L135-L137 HydrophobicContact CB-CG 4.38Å; L135-L137 PolarHBondContact O-N 2.96Å; L137-G139 PolarHBondContact O-N 3.17Å
138A37.9Very low37.3Very low93 Ų93133.7 Ų133.777%0.76970%0.698SS**THydrogen-bonded Turntrans-75.22.5169.700000113.5G136 K140G136-A138 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.07Å
139G35.3Very low38.1Very low46 Ų46125.4 Ų125.447%0.47468%0.676SS.*SBendtrans-71.198166.300000109.6L137 L141L137-G139 PolarHBondContact O-N 3.17Å; G139-L141 PolarHBondContact O-N 3.14Å
140K37.2Very low38.7Very low190 Ų190128 Ų12883%0.82668%0.678SS**  trans-31.9105163-82.4174.6173.9174.10109.2A138 Q142A138-K140 PolarHBondContact O-N 3.07Å; K140-Q142 PolarHBondContact O-N 3.28Å
141L43.2Very low39.5Very low140 Ų140125.4 Ų125.473%0.73368%0.679SS**  trans-72.864.6178.4-76.2166.2000109.2G139 G143G139-L141 PolarHBondContact O-N 3.14Å; L141-G143 PolarHBondContact O-N 3.39Å
142Q35.8Very low40.2Very low187 Ų187124.3 Ų124.387%0.87468%0.675SS**  trans-78.968.8170.9-164.2171.6-5.600107.1K140K140-Q142 PolarHBondContact O-N 3.28Å
143G35.7Very low41Very low41 Ų41121.2 Ų121.242%0.42366%0.663SS.*  trans-14994.9-17500000110.9L141 R145 Q146L141-G143 PolarHBondContact O-N 3.39Å; G143-R145 PolarHBondContact O-N 2.93Å; G143-Q146 PolarHBondContact O-N 3.12Å
144S42.9Very low41.9Very low99 Ų99119.1 Ų119.169%0.69265%0.649SS**THydrogen-bonded Turntrans-531.8171.854.50000115.6
145R44Very low42.6Very low217 Ų217113.5 Ų113.582%0.81963%0.629SS**THydrogen-bonded Turntrans-79-26174.9-71.4-172.8175.5-137.7-0.4113.5G143G143-R145 PolarHBondContact O-N 2.93Å
146Q45.7Very low43.3Very low123 Ų123111 Ų11158%0.57562%0.621SS**SBendtrans-83.5-30.4-175.1-130.7169.4-4.300113.8G143 R148 S149G143-Q146 PolarHBondContact O-N 3.12Å; Q146-R148 PolarHBondContact O-N 3.11Å; Q146-S149 WeakPolarHBondContact O-CB 3.31Å; Q146-S149 PolarHBondContact O-N 2.74Å; Q146-S149 VanDerWaalsContact O-N 3.08Å
147R42.3Very low44.3Very low226 Ų226112.8 Ų112.885%0.85361%0.612SS**Hα-helixtrans-62.6-25.2177.4-72.7-169.4174.3-133.3-0.5113.6
148R47.6Very low44.8Very low186 Ų186112.8 Ų112.870%0.70261%0.61SS**Hα-helixtrans-75.9-21.5176.8-75.9-171.2-90.6-175.3-6.9113.7Q146Q146-R148 PolarHBondContact O-N 3.11Å
149S50.1Low45.6Very low60 Ų60116.7 Ų116.742%0.4261%0.605SS.*Hα-helixtrans-69.4-46.1179.8-178.50000111.8Q146 A151 S152 L153Q146-S149 WeakPolarHBondContact O-CB 3.31Å; Q146-S149 PolarHBondContact O-N 2.74Å; Q146-S149 VanDerWaalsContact O-N 3.08Å; S149-A151 PolarHBondContact O-N 3.01Å; S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact O-OG 3.37Å; S149-L153 PolarHBondContact O-N 3.12Å
150L47.6Very low46.3Very low132 Ų132119.7 Ų119.769%0.69161%0.609SS**Hα-helixtrans-66.5-39.3-175.2-69.4173.1000113.6S152 L153 G154L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.92Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.38Å; L150-G154 PolarHBondContact O-N 3.15Å; L150-G154 VanDerWaalsContact O-N 3.08Å
151A48.8Very low47Very low74 Ų74113.4 Ų113.461%0.61259%0.593SS**Hα-helixtrans-64.7-35176.400000112.2S149 L153 G154 S155S149-A151 PolarHBondContact O-N 3.01Å; A151-L153 VanDerWaalsContact C-N 3.32Å; A151-G154 PolarHBondContact O-N 3.36Å; A151-S155 PolarHBondContact O-N 3.06Å
152S47.1Very low47.5Very low64 Ų64114.8 Ų114.845%0.44859%0.593SS.*Hα-helixtrans-67.1-35.817683.10000112S149 L150 S155 S156S149-S152 PolarHBondContact O-N 2.83Å; S149-S152 PolarHBondContact O-OG 3.37Å; L150-S152 VanDerWaalsContact C-N 3.3Å; L150-S152 PolarHBondContact O-N 2.92Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.34Å; S152-S156 PolarHBondContact O-N 2.75Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 3.4Å; S152-S156 VanDerWaalsContact O-OG 3.11Å
153L47.1Very low48.2Very low89 Ų89110.3 Ų110.347%0.46657%0.574SS.*Hα-helixtrans-64.3-42.1174.3-111.1151.8000111.7S149 L150 A151 S155 S156 L157S149-L153 PolarHBondContact O-N 3.12Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 3.38Å; A151-L153 VanDerWaalsContact C-N 3.32Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.91Å; L153-S156 WeakPolarHBondContact CA-OG 3.46Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-L157 PolarHBondContact O-N 2.74Å
154G50.2Low49.1Very low37 Ų37111.9 Ų111.938%0.38158%0.584SS.*Hα-helixtrans-60-41.4173.500000113.2L150 A151 M158L150-G154 PolarHBondContact O-N 3.15Å; L150-G154 VanDerWaalsContact O-N 3.08Å; A151-G154 PolarHBondContact O-N 3.36Å; G154-M158 PolarHBondContact O-N 2.96Å; G154-M158 VanDerWaalsContact O-N 3.13Å
155S51.2Low49.8Very low59 Ų59113.4 Ų113.441%0.41358%0.584SS.*Hα-helixtrans-70.3-31.9179.376.50000113.8A151 S152 L153 R159A151-S155 PolarHBondContact O-N 3.06Å; S152-S155 PolarHBondContact O-N 3.04Å; S152-S155 PolarHBondContact O-OG 3.34Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.91Å; S155-R159 WeakPolarHBondContact O-CG 3.42Å; S155-R159 PolarHBondContact O-N 3.1Å
156S49.6Very low50.1Low52 Ų52107.7 Ų107.736%0.36457%0.569SS.*Hα-helixtrans-75.2-38.117748.30000111.5S152 L153 R159 L160S152-S156 PolarHBondContact O-N 2.75Å; S152-S156 VanDerWaalsContact O-N 3.08Å; S152-S156 PolarHBondContact O-OG 3.4Å; S152-S156 VanDerWaalsContact O-OG 3.11Å; L153-S156 WeakPolarHBondContact CA-OG 3.46Å; L153-S156 PolarHBondContact O-N 2.95Å; L153-S156 PolarHBondContact O-OG 2.89Å; S156-R159 PolarHBondContact O-N 3.06Å; S156-R159 VanDerWaalsContact O-N 3.16Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å
157L50Low50.7Low108 Ų108105.1 Ų105.157%0.56556%0.564SS**Hα-helixtrans-61.1-43.3171.9-77.8166.1000112.5L153 R159 L160 A161L153-L157 PolarHBondContact O-N 2.74Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.34Å; L157-A161 PolarHBondContact O-N 3.39Å
158M51.4Low51.3Low145 Ų145100.2 Ų100.271%0.71456%0.561SS**Hα-helixtrans-61.6-33.8174-79.8-87.1-172.900113G154 K162G154-M158 PolarHBondContact O-N 2.96Å; G154-M158 VanDerWaalsContact O-N 3.13Å; M158-K162 PolarHBondContact O-N 3.44Å
159R53.7Low52.2Low176 Ų17692.9 Ų92.966%0.66454%0.543SS*.Hα-helixtrans-72.6-37.9174.5-74.4-179.9-174.1171.45.3112.2S155 S156 L157 A161 K162 I163S155-R159 WeakPolarHBondContact O-CG 3.42Å; S155-R159 PolarHBondContact O-N 3.1Å; S156-R159 PolarHBondContact O-N 3.06Å; S156-R159 VanDerWaalsContact O-N 3.16Å; L157-R159 VanDerWaalsContact C-N 3.28Å; L157-R159 PolarHBondContact O-N 3.45Å; R159-A161 VanDerWaalsContact C-N 3.32Å; R159-K162 PolarHBondContact O-N 2.8Å; R159-I163 WeakPolarHBondContact O-CG1 3.47Å; R159-I163 PolarHBondContact O-N 3.15Å; R159-I163 VanDerWaalsContact O-N 3.16Å
160L50.2Low52.9Low108 Ų10891 Ų9157%0.56553%0.531SS*.Hα-helixtrans-64.4-37.9174.4-72.7169.3000111.5S156 L157 K162 I163 A164S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å; L157-L160 PolarHBondContact O-N 3.34Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.24Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; L160-A164 PolarHBondContact O-N 2.86Å; L160-A164 VanDerWaalsContact O-N 3.1Å
161A52.5Low53.7Low58 Ų5888.1 Ų88.148%0.47953%0.527SS..Hα-helixtrans-60.1-42173.300000112.1L157 R159 I163 A164L157-A161 PolarHBondContact O-N 3.39Å; R159-A161 VanDerWaalsContact C-N 3.32Å; A161-I163 VanDerWaalsContact C-N 3.3Å; A161-I163 PolarHBondContact O-N 2.86Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 2.86Å
162K53.9Low54.8Low170 Ų17091.8 Ų91.874%0.73953%0.531SS*.Hα-helixtrans-66.8-27.8175.3-77-174.3175.7-175.50114.1M158 R159 L160M158-K162 PolarHBondContact O-N 3.44Å; R159-K162 PolarHBondContact O-N 2.8Å; L160-K162 VanDerWaalsContact C-N 3.34Å; L160-K162 PolarHBondContact O-N 3.24Å
163I51.4Low56Low92 Ų9295.5 Ų95.547%0.47254%0.543SS..Hα-helixtrans-75.9-29.7176-65.1165.5000110.6R159 L160 A161 D165 N166R159-I163 WeakPolarHBondContact O-CG1 3.47Å; R159-I163 PolarHBondContact O-N 3.15Å; R159-I163 VanDerWaalsContact O-N 3.16Å; L160-I163 PolarHBondContact O-N 3.49Å; L160-I163 VanDerWaalsContact O-N 3.15Å; A161-I163 VanDerWaalsContact C-N 3.3Å; A161-I163 PolarHBondContact O-N 2.86Å; I163-D165 VanDerWaalsContact C-N 3.25Å; I163-D165 PolarHBondContact O-N 3.29Å; I163-N166 CarbonylContact O-C 3.08Å; I163-N166 PolarHBondContact O-N 2.83Å
164A54.6Low57.3Low75 Ų7598.3 Ų98.362%0.6255%0.547SS*.Hα-helixtrans-62.3-32.3176.700000112.8L160 A161L160-A164 PolarHBondContact O-N 2.86Å; L160-A164 VanDerWaalsContact O-N 3.1Å; A161-A164 WeakPolarHBondContact O-CB 3.48Å; A161-A164 PolarHBondContact O-N 2.86Å
165D56.3Low58.6Low130 Ų130104 Ų10470%0.69556%0.561SS**THydrogen-bonded Turntrans-75.4-22.5178.1-69.7-26.6000113.7I163I163-D165 VanDerWaalsContact C-N 3.25Å; I163-D165 PolarHBondContact O-N 3.29Å
166N51.1Low59.5Low97 Ų97103.8 Ų103.852%0.51956%0.563SS.*SBendtrans-144.581.7175.8-95.9-36.3000109.3I163 R174I163-N166 CarbonylContact O-C 3.08Å; I163-N166 PolarHBondContact O-N 2.83Å; N166-R174 PolarHBondContact OD1-NH1 2.88Å; N166-R174 VanDerWaalsContact OD1-NH1 3.1Å
167P59Low60.8Low70 Ų70107.9 Ų107.946%0.45558%0.577SS.*  trans-63.1145.1174.324.5-30.1000109.4G169 A170P167-G169 PolarHBondContact O-N 3.39Å; P167-A170 HydrophobicContact CG-CB 4.08Å; P167-A170 WeakPolarHBondContact O-CB 3.25Å; P167-A170 PolarHBondContact O-N 2.92Å
168P54.7Low62.1Low123 Ų123109.7 Ų109.780%0.79958%0.584SS**THydrogen-bonded Turntrans-53.9128.4173.121-30.2000109.7
169G66.5Low63.4Low32 Ų32109.2 Ų109.233%0.3358%0.58SS.*THydrogen-bonded Turntrans99.5-17.1-17500000115.4P167 A171 E172 M173P167-G169 PolarHBondContact O-N 3.39Å; G169-A171 VanDerWaalsContact C-N 3.28Å; G169-A171 PolarHBondContact O-N 3.38Å; G169-E172 PolarHBondContact O-N 3.08Å; G169-E172 VanDerWaalsContact O-N 3.14Å; G169-M173 WeakPolarHBondContact O-CG 3.44Å; G169-M173 PolarHBondContact O-N 3.19Å
170A63.8Low64.5Low20 Ų20110.7 Ų110.717%0.16559%0.586CS.*Hα-helixtrans-62-3617700000112.7P167 M173 R174P167-A170 HydrophobicContact CG-CB 4.08Å; P167-A170 WeakPolarHBondContact O-CB 3.25Å; P167-A170 PolarHBondContact O-N 2.92Å; A170-M173 PolarHBondContact O-N 2.84Å; A170-R174 WeakPolarHBondContact O-CG 3.41Å; A170-R174 PolarHBondContact O-N 3.13Å
171A64.3Low65.4Low72 Ų72108.4 Ų108.460%0.59558%0.583SS**Hα-helixtrans-66.7-38175.400000112.2G169 K175G169-A171 VanDerWaalsContact C-N 3.28Å; G169-A171 PolarHBondContact O-N 3.38Å; A171-K175 WeakPolarHBondContact O-CB 3.18Å; A171-K175 PolarHBondContact O-N 2.97Å
172E72.3Confident66.3Low150 Ų150108.6 Ų108.670%0.70158%0.584SS**Hα-helixtrans-68.5-40.9176.6-68.7179.8173.200111.2G169 K175 A176G169-E172 PolarHBondContact O-N 3.08Å; G169-E172 VanDerWaalsContact O-N 3.14Å; E172-K175 PolarHBondContact O-N 3.12Å; E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 3.23Å
173M71.5Confident66.9Low142 Ų142103.4 Ų103.470%0.757%0.573SS**Hα-helixtrans-62.4-46.5174.3-69.5-120.9-60.900112G169 A170 K175 A176 E177G169-M173 WeakPolarHBondContact O-CG 3.44Å; G169-M173 PolarHBondContact O-N 3.19Å; A170-M173 PolarHBondContact O-N 2.84Å; M173-K175 VanDerWaalsContact C-N 3.28Å; M173-K175 PolarHBondContact O-N 3.13Å; M173-A176 PolarHBondContact O-N 3.04Å; M173-E177 VanDerWaalsContact O-CB 3.29Å; M173-E177 WeakPolarHBondContact O-CB 3.12Å; M173-E177 PolarHBondContact O-N 3.3Å
174R74.8Confident67.5Low149 Ų149102.1 Ų102.156%0.56258%0.576SS**Hα-helixtrans-60.4-38.3176.3-74.9179.9-173.5135.12.5111.9N166 A170 M178N166-R174 PolarHBondContact OD1-NH1 2.88Å; N166-R174 VanDerWaalsContact OD1-NH1 3.1Å; A170-R174 WeakPolarHBondContact O-CG 3.41Å; A170-R174 PolarHBondContact O-N 3.13Å; R174-M178 VanDerWaalsContact O-CB 3.29Å; R174-M178 WeakPolarHBondContact O-CB 3.41Å; R174-M178 PolarHBondContact O-N 3.34Å
175K77.4Confident67.7Low155 Ų155106.9 Ų106.967%0.67458%0.582SS**Hα-helixtrans-66.6-47.3176.1-172.3179.8176.9-174.30111.4A171 E172 M173 E177 M178 E179A171-K175 WeakPolarHBondContact O-CB 3.18Å; A171-K175 PolarHBondContact O-N 2.97Å; E172-K175 PolarHBondContact O-N 3.12Å; M173-K175 VanDerWaalsContact C-N 3.28Å; M173-K175 PolarHBondContact O-N 3.13Å; K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 3.45Å; K175-M178 PolarHBondContact O-N 3.43Å; K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 3.18Å
176A71.4Confident67.9Low55 Ų55104.9 Ų104.946%0.45558%0.584SS.*Hα-helixtrans-63.6-36.9178.100000112.3E172 M173 R180E172-A176 WeakPolarHBondContact O-CB 3.49Å; E172-A176 PolarHBondContact O-N 3.23Å; M173-A176 PolarHBondContact O-N 3.04Å; A176-R180 WeakPolarHBondContact O-CB 3.37Å; A176-R180 PolarHBondContact O-N 2.84Å
177E75.4Confident68.2Low139 Ų139109.1 Ų109.165%0.6560%0.598SS**Hα-helixtrans-68.3-43.6175.9-171.1175-169.100111.7M173 K175 E179 R180 A181M173-E177 VanDerWaalsContact O-CB 3.29Å; M173-E177 WeakPolarHBondContact O-CB 3.12Å; M173-E177 PolarHBondContact O-N 3.3Å; K175-E177 VanDerWaalsContact C-N 3.31Å; K175-E177 PolarHBondContact O-N 3.45Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.9Å; E177-R180 WeakPolarHBondContact O-CB 3.4Å; E177-R180 PolarHBondContact O-N 3.09Å; E177-A181 WeakPolarHBondContact O-CB 3.39Å; E177-A181 PolarHBondContact O-N 3.06Å
178M77.6Confident67.7Low146 Ų146108.7 Ų108.772%0.71960%0.6SS**Hα-helixtrans-64.9-37.7176.3-164.3177.7-84.200111.7R174 K175 A181 A182R174-M178 VanDerWaalsContact O-CB 3.29Å; R174-M178 WeakPolarHBondContact O-CB 3.41Å; R174-M178 PolarHBondContact O-N 3.34Å; K175-M178 PolarHBondContact O-N 3.43Å; M178-A181 PolarHBondContact O-N 2.73Å; M178-A182 WeakPolarHBondContact O-CB 3.36Å; M178-A182 PolarHBondContact O-N 3.02Å
179E79.5Confident67.3Low134 Ų134108.1 Ų108.163%0.62660%0.596SS**Hα-helixtrans-66.4-40174.1-167.6170.7-174.200111.8K175 E177 A182 A183K175-E179 WeakPolarHBondContact O-CB 3.36Å; K175-E179 PolarHBondContact O-N 3.18Å; E177-E179 VanDerWaalsContact C-N 3.33Å; E177-E179 PolarHBondContact O-N 2.9Å; E179-A182 PolarHBondContact O-N 2.77Å; E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.1Å
180R75.4Confident66.4Low208 Ų208111.5 Ų111.579%0.78561%0.613SS**Hα-helixtrans-62.9-43.1171.9-113.7-177.7-176.3145.81.1112.5A176 E177 A182 A183 A184A176-R180 WeakPolarHBondContact O-CB 3.37Å; A176-R180 PolarHBondContact O-N 2.84Å; E177-R180 WeakPolarHBondContact O-CB 3.4Å; E177-R180 PolarHBondContact O-N 3.09Å; R180-A182 VanDerWaalsContact C-N 3.35Å; R180-A183 PolarHBondContact O-N 3.09Å; R180-A184 WeakPolarHBondContact O-CB 3.06Å; R180-A184 PolarHBondContact O-N 3.12Å
181A70.8Confident65.6Low60 Ų60115 Ų11550%0.49663%0.633SS.*Hα-helixtrans-65.4-39.6178.400000111.5E177 M178 A184 K185E177-A181 WeakPolarHBondContact O-CB 3.39Å; E177-A181 PolarHBondContact O-N 3.06Å; M178-A181 PolarHBondContact O-N 2.73Å; A181-A184 PolarHBondContact O-N 2.83Å; A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 3.28Å
182A70.2Confident64.3Low62 Ų62118 Ų11851%0.51265%0.645SS.*Hα-helixtrans-64.3-43.1173.500000111.7M178 E179 R180 A184 K185 A186M178-A182 WeakPolarHBondContact O-CB 3.36Å; M178-A182 PolarHBondContact O-N 3.02Å; E179-A182 PolarHBondContact O-N 2.77Å; R180-A182 VanDerWaalsContact C-N 3.35Å; A182-A184 PolarHBondContact O-N 3.48Å; A182-K185 PolarHBondContact O-N 3.02Å; A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.04Å
183A67.9Low62.8Low60 Ų60120.1 Ų120.150%0.49665%0.647SS.*Hα-helixtrans-64.2-38.317600000112.5E179 R180 A186 K187E179-A183 WeakPolarHBondContact O-CB 3.44Å; E179-A183 PolarHBondContact O-N 3.1Å; R180-A183 PolarHBondContact O-N 3.09Å; A183-A186 PolarHBondContact O-N 2.72Å; A183-K187 PolarHBondContact O-N 2.76Å; A183-K187 VanDerWaalsContact O-N 3.16Å
184A64Low61.3Low65 Ų65118.1 Ų118.154%0.53765%0.648SS.*Hα-helixtrans-65-41.3174.300000111.6R180 A181 A182 K187 A188R180-A184 WeakPolarHBondContact O-CB 3.06Å; R180-A184 PolarHBondContact O-N 3.12Å; A181-A184 PolarHBondContact O-N 2.83Å; A182-A184 PolarHBondContact O-N 3.48Å; A184-K187 PolarHBondContact O-N 2.93Å; A184-A188 PolarHBondContact O-N 3.33Å
185K57.9Low59.6Low175 Ų175119.3 Ų119.376%0.76166%0.66SS**Hα-helixtrans-68.6-33.8177.6-159174.1-175.7179.60112.6A181 A182 K187 A188A181-K185 WeakPolarHBondContact O-CB 3.49Å; A181-K185 PolarHBondContact O-N 3.28Å; A182-K185 PolarHBondContact O-N 3.02Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-A188 PolarHBondContact O-N 3.05Å
186A60.7Low57.5Low88 Ų88117.5 Ų117.573%0.72766%0.662SS**Hα-helixtrans-70.5-24.7173.900000113.2A182 A183A182-A186 WeakPolarHBondContact O-CB 3.41Å; A182-A186 PolarHBondContact O-N 3.04Å; A183-A186 PolarHBondContact O-N 2.72Å
187K57.1Low55.8Low187 Ų187124.2 Ų124.281%0.81368%0.681SS**Hα-helixtrans-86.1-12.6174.7-105.5-178.9179.1179.90114.1A183 A184 K185 P189A183-K187 PolarHBondContact O-N 2.76Å; A183-K187 VanDerWaalsContact O-N 3.16Å; A184-K187 PolarHBondContact O-N 2.93Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K187-P189 WeakPolarHBondContact O-CD 3.42Å
188A48.8Very low53.7Low60 Ų60125.9 Ų125.950%0.49669%0.688SS.*SBendtrans-69.7122.4173.500000108.8A184 K185A184-A188 PolarHBondContact O-N 3.33Å; K185-A188 PolarHBondContact O-N 3.05Å
189P46.4Very low51.4Low111 Ų111122.8 Ų122.872%0.72169%0.686SS**PPolyproline II helixtrans-59.6143.1175.624.3-31.8000109.5K187K187-P189 WeakPolarHBondContact O-CD 3.42Å
190P47.8Very low49.3Very low104 Ų104122.2 Ų122.268%0.67569%0.694SS**PPolyproline II helixtrans-58.8139.4178.624.4-32.9000109.6T192P190-T192 PolarHBondContact O-N 2.88Å
191P46.4Very low47.3Very low92 Ų92118.8 Ų118.860%0.59770%0.696SS**PPolyproline II helixtrans-54.5116.8172.822.8-32.5000108.2Y193P191-Y193 VanDerWaalsContact C-N 3.31Å; P191-Y193 HydrophobicContact CB-CD2 4.27Å; P191-Y193 HydrophobicContact CB-CE2 3.89Å; P191-Y193 HydrophobicContact CG-CD2 4.22Å; P191-Y193 HydrophobicContact CG-CE2 3.62Å; P191-Y193 WeakPolarHBondContact O-CD2 3.4Å; P191-Y193 PolarHBondContact O-N 3.25Å
192T36.8Very low45.5Very low136 Ų136124.6 Ų124.683%0.83471%0.713SS**  trans-74.191.2179.7-35.70000107.1P190 S194P190-T192 PolarHBondContact O-N 2.88Å; T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 PolarHBondContact O-N 3.34Å
193Y41.8Very low43.8Very low194 Ų194126.4 Ų126.476%0.76172%0.722SS**  trans-73.691.1170.7-73.3-82.3000108.4P191 Q195P191-Y193 VanDerWaalsContact C-N 3.31Å; P191-Y193 HydrophobicContact CB-CD2 4.27Å; P191-Y193 HydrophobicContact CB-CE2 3.89Å; P191-Y193 HydrophobicContact CG-CD2 4.22Å; P191-Y193 HydrophobicContact CG-CE2 3.62Å; P191-Y193 WeakPolarHBondContact O-CD2 3.4Å; P191-Y193 PolarHBondContact O-N 3.25Å; Y193-Q195 PolarHBondContact O-N 3.21Å
194S38.4Very low42Very low101 Ų101135 Ų13571%0.70674%0.741SS**  trans-69.688.6162.253.50000108.2T192 T196T192-S194 VanDerWaalsContact C-N 3.34Å; T192-S194 PolarHBondContact O-N 3.34Å; S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.45Å
195Q39.7Very low40.4Very low173 Ų173139.4 Ų139.481%0.80875%0.754SS**  trans-69.387.1166-75.3-171.10.100108.8Y193 K197Y193-Q195 PolarHBondContact O-N 3.21Å; Q195-K197 PolarHBondContact O-N 3.35Å; Q195-K197 VanDerWaalsContact O-N 3.11Å
196T34Very low39.2Very low117 Ų117135.4 Ų135.472%0.71875%0.754SS**  trans-73101.8165.8-39.60000106.9S194 Q198S194-T196 VanDerWaalsContact C-N 3.26Å; S194-T196 PolarHBondContact O-N 3.45Å; T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.38Å
197K35.1Very low37.6Very low197 Ų197139.2 Ų139.286%0.85776%0.757SS**  trans-57.291.2170.5-76.5177.4175177.50109.1Q195 A199Q195-K197 PolarHBondContact O-N 3.35Å; Q195-K197 VanDerWaalsContact O-N 3.11Å; K197-A199 PolarHBondContact O-N 3.45Å
198Q31.1Very low36.4Very low173 Ų173139.3 Ų139.381%0.80876%0.76SS**PPolyproline II helixtrans-78.2117.5162.7-83.5-174.1-12.200108T196T196-Q198 VanDerWaalsContact C-N 3.31Å; T196-Q198 PolarHBondContact O-N 3.38Å
199A30.2Very low35.5Very low82 Ų82144 Ų14468%0.67877%0.772SS**PPolyproline II helixtrans-61134.9175.700000109.6K197 V201K197-A199 PolarHBondContact O-N 3.45Å; A199-V201 PolarHBondContact O-N 3.36Å; A199-V201 VanDerWaalsContact O-N 3.16Å
200P35.6Very low34.9Very low121 Ų121146.2 Ų146.279%0.78678%0.777SS**PPolyproline II helixtrans-65.2116.7-179.724.8-31.6000109.9Q202P200-Q202 PolarHBondContact O-N 3.17Å
201V32.2Very low33.9Very low137 Ų137147.1 Ų147.183%0.8378%0.781SS**  trans-68.1112.4170.91760000107.6A199 S203A199-V201 PolarHBondContact O-N 3.36Å; A199-V201 VanDerWaalsContact O-N 3.16Å; V201-S203 PolarHBondContact O-N 3.17Å
202Q33.3Very low33.2Very low182 Ų182151.4 Ų151.485%0.8579%0.792SS**  trans-67.692.6177.1-69.1178-12.700110.4P200 R204P200-Q202 PolarHBondContact O-N 3.17Å; Q202-R204 PolarHBondContact O-N 3.09Å
203S35.5Very low32.7Very low100 Ų100149.5 Ų149.570%0.69979%0.79SS**  trans-79.1101.9162.957.10000108.7V201 I205V201-S203 PolarHBondContact O-N 3.17Å; S203-I205 PolarHBondContact O-N 3.22Å; S203-I205 VanDerWaalsContact O-N 3.15Å
204R29.8Very low32.2Very low240 Ų240145.1 Ų145.191%0.90679%0.788SS**  trans-58.1108.9167.8-69.5175.6178.3-178-1.9109.1Q202Q202-R204 PolarHBondContact O-N 3.09Å
205I31.1Very low31.8Very low157 Ų157146.3 Ų146.381%0.80579%0.791SS**  trans-121133160-61.1178.5000106.6S203S203-I205 PolarHBondContact O-N 3.22Å; S203-I205 VanDerWaalsContact O-N 3.15Å
206A32Very low31.2Very low91 Ų91147 Ų14775%0.75280%0.795SS**  trans-60.8143.9-164.100000113.2E208A206-E208 PolarHBondContact O-N 2.76Å
207Q27.7Very low30.9Very low169 Ų169144.9 Ų144.979%0.7980%0.796SS**  trans-61.1120.2167.9-65.8167.1-66.900109.5
208E31.3Very low30.8Very low189 Ų189142.7 Ų142.788%0.88379%0.793SS**  trans-108.7104.7149.8-80.2-176.8165.500106.5A206 D210A206-E208 PolarHBondContact O-N 2.76Å; E208-D210 PolarHBondContact O-N 3.2Å
209E30.5Very low30.8Very low158 Ų158141.5 Ų141.574%0.73880%0.798SS**  trans-76.6104.4167.5-69.6179.3158.200107.5
210D31.9Very low31.1Very low157 Ų157143.3 Ų143.384%0.8480%0.801SS**  trans-116.3104159.8-95.5-27.3000109.5E208 H212E208-D210 PolarHBondContact O-N 3.2Å; D210-H212 PolarHBondContact O-N 3.44Å
211V27.7Very low30.9Very low123 Ų123146.1 Ų146.175%0.74580%0.803SS**  trans-75.1108.6175.6174.10000108.2
212H31.3Very low31.1Very low182 Ų182145.7 Ų145.784%0.84380%0.795SS**  trans-143.199.9153.2-86.4-61.1000110.6D210D210-H212 PolarHBondContact O-N 3.44Å
213A26Very low31Very low96 Ų96142.7 Ų142.779%0.79379%0.789SS**  trans-79.8118.1163.600000108.9
214S32.7Very low30.9Very low103 Ų103147.1 Ų147.172%0.7279%0.792SS**  trans-146.3100.7161.6-73.10000109.4
215T28.9Very low30.9Very low125 Ų125146.3 Ų146.377%0.76779%0.789SS**  trans40.2108.7131.76.10000119.5
216E27.4Very low30.9Very low188 Ų188145.3 Ų145.388%0.87979%0.79SS**  35119.8127.1-62.3-179.9170.600119.3
217G28.1Very low30.9Very low72 Ų72146.9 Ų146.974%0.74279%0.791SS**  trans109.380.6146.500000115.5
218D31.7Very low31.2Very low151 Ų151144.3 Ų144.381%0.80779%0.789SS**  -170120119.7-105.8-21.6000110.5T220D218-T220 VanDerWaalsContact C-N 3.26Å; D218-T220 PolarHBondContact O-N 3.08Å
219V31.2Very low31.1Very low149 Ų149140.2 Ų140.290%0.90379%0.787SS**  trans-70.584.7174.8179.40000107.2
220T36.8Very low31.1Very low120 Ų120140.1 Ų140.174%0.73679%0.791SS**  trans-88.1124.2171.341.70000109.3D218 I222D218-T220 VanDerWaalsContact C-N 3.26Å; D218-T220 PolarHBondContact O-N 3.08Å; T220-I222 PolarHBondContact O-N 3.26Å
221E31.7Very low31.3Very low180 Ų180140.9 Ų140.984%0.84179%0.789SS**  trans-47.7124.1-175.1-67.4172.2140.800112.5T223E221-T223 VanDerWaalsContact C-N 3.29Å; E221-T223 PolarHBondContact O-N 2.97Å
222I36.6Very low31.4Very low128 Ų128139.7 Ų139.766%0.65679%0.786SS**  trans-66.991.4173.3-58.5169.8000107.5T220 Y224T220-I222 PolarHBondContact O-N 3.26Å; I222-Y224 HydrophobicContact CB-CE2 4.34Å; I222-Y224 HydrophobicContact CG2-CD1 4.29Å; I222-Y224 HydrophobicContact CG2-CD2 4.24Å; I222-Y224 HydrophobicContact CG2-CE1 4.04Å; I222-Y224 HydrophobicContact CG2-CE2 3.98Å; I222-Y224 HydrophobicContact CG2-CG 4.39Å; I222-Y224 VanDerWaalsContact O-CD2 3.29Å; I222-Y224 WeakPolarHBondContact O-CD2 3.47Å; I222-Y224 PolarHBondContact O-N 3.12Å; I222-Y224 VanDerWaalsContact O-N 3.07Å
223T31.5Very low31.6Very low119 Ų119137.3 Ų137.373%0.7378%0.78SS**  trans-70.3100.4167-60.80000107.2E221 R225E221-T223 VanDerWaalsContact C-N 3.29Å; E221-T223 PolarHBondContact O-N 2.97Å; T223-R225 VanDerWaalsContact C-N 3.28Å; T223-R225 PolarHBondContact O-N 2.93Å
224Y32.4Very low31.8Very low193 Ų193139 Ų13976%0.75778%0.78SS**  trans-64.688173.3-66-88.4000109.7I222 T226I222-Y224 HydrophobicContact CB-CE2 4.34Å; I222-Y224 HydrophobicContact CG2-CD1 4.29Å; I222-Y224 HydrophobicContact CG2-CD2 4.24Å; I222-Y224 HydrophobicContact CG2-CE1 4.04Å; I222-Y224 HydrophobicContact CG2-CE2 3.98Å; I222-Y224 HydrophobicContact CG2-CG 4.39Å; I222-Y224 VanDerWaalsContact O-CD2 3.29Å; I222-Y224 WeakPolarHBondContact O-CD2 3.47Å; I222-Y224 PolarHBondContact O-N 3.12Å; I222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-T226 PolarHBondContact O-N 3.25Å; Y224-T226 VanDerWaalsContact O-N 3.11Å
225R29.6Very low31.8Very low223 Ų223143.9 Ų143.984%0.84278%0.784SS**  trans-7395160.8-102.8-173.9173.8-170.3-0.5107.7T223 T227T223-R225 VanDerWaalsContact C-N 3.28Å; T223-R225 PolarHBondContact O-N 2.93Å; R225-T227 VanDerWaalsContact C-N 3.3Å; R225-T227 PolarHBondContact O-N 2.82Å; R225-T227 PolarHBondContact O-OG1 2.8Å
226T31.5Very low31.8Very low136 Ų136140.7 Ų140.783%0.83478%0.776SS**  trans-56.894.1161.736.80000108.8Y224Y224-T226 PolarHBondContact O-N 3.25Å; Y224-T226 VanDerWaalsContact O-N 3.11Å
227T32.5Very low31.9Very low123 Ų123141.1 Ų141.176%0.75578%0.778SS**  trans-88.5120.9166.5-0.90000106.7R225 A229R225-T227 VanDerWaalsContact C-N 3.3Å; R225-T227 PolarHBondContact O-N 2.82Å; R225-T227 PolarHBondContact O-OG1 2.8Å; T227-A229 PolarHBondContact O-N 2.93Å; T227-A229 VanDerWaalsContact O-N 3.16Å
228P33.5Very low32.1Very low115 Ų115144 Ų14475%0.74778%0.782SS**  trans-69.4111.5179.326.1-30.7000109.2L230P228-L230 PolarHBondContact O-N 3.17Å; P228-L230 VanDerWaalsContact O-N 3.11Å
229A30.3Very low31.9Very low103 Ų103146 Ų14685%0.85179%0.786SS**  trans-71.8103.4170.900000108.7T227T227-A229 PolarHBondContact O-N 2.93Å; T227-A229 VanDerWaalsContact O-N 3.16Å
230L29.8Very low31.9Very low156 Ų156143 Ų14382%0.81778%0.777SS**  trans-98.490.5176.9-141.8160.3000106P228P228-L230 PolarHBondContact O-N 3.17Å; P228-L230 VanDerWaalsContact O-N 3.11Å
231E35.8Very low31.7Very low173 Ų173142.5 Ų142.581%0.80878%0.776SS**  trans-131.298.4168.3-72.6-169.1179.900109.6N233E231-N233 PolarHBondContact O-N 2.89Å; E231-N233 VanDerWaalsContact O-N 3.11Å
232S31.1Very low31.6Very low98 Ų98139.3 Ų139.369%0.68577%0.773SS**  trans-58.698.5165.350.90000110.1V234S232-V234 VanDerWaalsContact C-N 3.29Å; S232-V234 PolarHBondContact O-N 2.8Å
233N34.3Very low31.3Very low133 Ų133141 Ų14171%0.71178%0.783SS**  trans-78.387.1163.5-84.7-27.1000108.9E231 Y235E231-N233 PolarHBondContact O-N 2.89Å; E231-N233 VanDerWaalsContact O-N 3.11Å; N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 HydrophobicContact CB-CD2 4.17Å; N233-Y235 PolarHBondContact O-N 2.72Å
234V31.4Very low31Very low132 Ų132145 Ų14580%0.879%0.79SS**  trans-67.288.2161.8179.90000106.9S232S232-V234 VanDerWaalsContact C-N 3.29Å; S232-V234 PolarHBondContact O-N 2.8Å
235Y31.5Very low30.8Very low204 Ų204143 Ų14380%0.879%0.792SS**  trans-94.1116.9165.9-96.5-88.1000108.7N233N233-Y235 VanDerWaalsContact C-N 3.28Å; N233-Y235 HydrophobicContact CB-CD2 4.17Å; N233-Y235 PolarHBondContact O-N 2.72Å
236G29.1Very low30.8Very low58 Ų58137.1 Ų137.160%0.59879%0.785SS**  trans-60.8146.5-173.400000114T238G236-T238 PolarHBondContact O-N 2.83Å; G236-T238 VanDerWaalsContact O-N 3.13Å
237E29.9Very low30.6Very low198 Ų198137.2 Ų137.293%0.92579%0.785SS**  trans-48.8112.9166.7-69.5174.1141.700109.9E239E237-E239 PolarHBondContact O-N 2.92Å
238T31.2Very low30.6Very low132 Ų132136.6 Ų136.681%0.8178%0.784SS**  trans-88.6101.1169.7-45.70000106.9G236 A240G236-T238 PolarHBondContact O-N 2.83Å; G236-T238 VanDerWaalsContact O-N 3.13Å; T238-A240 PolarHBondContact O-N 3.18Å
239E28.5Very low30.5Very low193 Ų193135 Ų13590%0.90278%0.775SS**  trans-61112.2166.2-67.5-173.1162.700109.1E237E237-E239 PolarHBondContact O-N 2.92Å
240A30.5Very low30.8Very low86 Ų86137.3 Ų137.371%0.71177%0.773SS**  trans-140.1145.4165.300000109.9T238T238-A240 PolarHBondContact O-N 3.18Å
241P33.9Very low30.9Very low110 Ų110139 Ų13971%0.71477%0.774SS**  trans-91.4139.6-136.933.1-34.1000113.8L243P241-L243 PolarHBondContact O-N 3.36Å
242S28.9Very low30.6Very low112 Ų112139.8 Ų139.878%0.78378%0.778SS**  trans9.876.7147.851.20000116.7K244S242-K244 PolarHBondContact O-N 2.75Å
243L29.4Very low31Very low163 Ų163140.2 Ų140.285%0.85378%0.778SS**  trans-67101.4158.7-85.4162.3000107.6P241 L245P241-L243 PolarHBondContact O-N 3.36Å; L243-L245 PolarHBondContact O-N 3.04Å
244K26.8Very low31.1Very low204 Ų204143.3 Ų143.389%0.88778%0.782SS**  trans-60.278.2163.2-74.8178.3175.7176.30108.8S242 S246S242-K244 PolarHBondContact O-N 2.75Å; K244-S246 PolarHBondContact O-N 2.91Å
245L28.2Very low31.3Very low151 Ų151141.7 Ų141.779%0.79178%0.782SS**  trans-86.9100.3166.4-145.573.5000106.7L243 T247L243-L245 PolarHBondContact O-N 3.04Å; L245-T247 PolarHBondContact O-N 3.11Å
246S29.2Very low31.3Very low100 Ų100139.6 Ų139.670%0.69978%0.781SS**  trans-35.8119.716848.30000111.1K244 P248K244-S246 PolarHBondContact O-N 2.91Å; S246-P248 WeakPolarHBondContact O-CD 3.35Å
247T27.1Very low31.7Very low137 Ų137146.3 Ų146.384%0.8479%0.79SS**  trans-55.7116.9170.844.80000111.8L245L245-T247 PolarHBondContact O-N 3.11Å
248P31.9Very low32.2Very low111 Ų111141.7 Ų141.772%0.72178%0.775SS**  trans-97.5107.3145.923.5-3000107.4S246S246-P248 WeakPolarHBondContact O-CD 3.35Å
249S32.9Very low32.6Very low82 Ų82142.7 Ų142.757%0.57378%0.776SS**  trans19.8123.1134.856.50000118.1
250D34.6Very low33.2Very low150 Ų150138.9 Ų138.980%0.80277%0.766SS**  trans82.145.2135.6-47.4-18.4000119.7
251F32.3Very low33.6Very low192 Ų192138.8 Ų138.884%0.84276%0.758SS**  trans-11585.8152.1-81.1-82.9000109.9P253F251-P253 VanDerWaalsContact O-CD 3.28Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å
252E30.7Very low34Very low189 Ų189137.3 Ų137.388%0.88375%0.75SS**  trans-60.6117.6157.2-80.6-164.8160.300108Y254E252-Y254 PolarHBondContact O-N 3.16Å; E252-Y254 VanDerWaalsContact O-N 3.16Å
253P39.7Very low34.3Very low108 Ų108141 Ų14170%0.70175%0.748SS**  trans-76109.2-178.629.3-30.3000109.4F251 A255F251-P253 VanDerWaalsContact O-CD 3.28Å; F251-P253 WeakPolarHBondContact O-CD 3.37Å; P253-A255 PolarHBondContact O-N 2.95Å
254Y36.4Very low34.6Very low198 Ų198136.6 Ų136.678%0.77674%0.735SS**  trans36.458.3143.5-66-85.1000117E252E252-Y254 PolarHBondContact O-N 3.16Å; E252-Y254 VanDerWaalsContact O-N 3.16Å
255A35.8Very low35.2Very low97 Ų97129.6 Ų129.680%0.80271%0.712SS**  trans-90.21.7166.700000113.3P253 Y257P253-A255 PolarHBondContact O-N 2.95Å; A255-Y257 PolarHBondContact O-N 3.32Å
256M31.2Very low35.7Very low161 Ų161130.9 Ų130.979%0.79371%0.706SS**  trans-96.459.5179.1-78.2-169.457.200112.8
257Y37.6Very low36.1Very low199 Ų199133.9 Ų133.978%0.7870%0.703SS**  trans-108.460.8148.5-76.4-80.2000107.8A255 D259A255-Y257 PolarHBondContact O-N 3.32Å; Y257-D259 PolarHBondContact O-N 3.08Å; Y257-D259 VanDerWaalsContact O-N 3.08Å
258T39.8Very low36.7Very low101 Ų101137.1 Ų137.162%0.6270%0.7SS**  trans-62.5107.3163.747.80000107.4V260T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.4Å
259D39.3Very low37Very low153 Ų153141.2 Ų141.282%0.81870%0.701SS**  trans15.672.5153.7-66.2-30.4000114.1Y257 P261Y257-D259 PolarHBondContact O-N 3.08Å; Y257-D259 VanDerWaalsContact O-N 3.08Å; D259-P261 WeakPolarHBondContact O-CD 3.28Å
260V40Very low37.5Very low113 Ų113141.8 Ų141.869%0.68570%0.698SS**  trans-62.5111.9163.1178.30000103.8T258 S262T258-V260 VanDerWaalsContact C-N 3.34Å; T258-V260 PolarHBondContact O-N 3.4Å; V260-S262 PolarHBondContact O-N 3.31Å
261P40.1Very low37.8Very low84 Ų84140.3 Ų140.355%0.54569%0.688SS.*  trans-60.5107.9-176.9-17.730.9000105.6D259 Y263D259-P261 WeakPolarHBondContact O-CD 3.28Å; P261-Y263 PolarHBondContact O-N 3.21Å; P261-Y263 VanDerWaalsContact O-N 3.07Å
262S41.4Very low38.3Very low78 Ų78135.6 Ų135.655%0.54568%0.675SS.*  trans-54.4126.4-177.965.40000106.4V260 A264 S265V260-S262 PolarHBondContact O-N 3.31Å; S262-A264 PolarHBondContact O-N 2.81Å; S262-S265 PolarHBondContact O-N 3.37Å; S262-S265 PolarHBondContact O-OG 3.41Å
263Y35.5Very low38.9Very low189 Ų189130.4 Ų130.474%0.74166%0.657SS**THydrogen-bonded Turntrans-51.4-19.5-175.1-83-96.3000112.9P261 S265P261-Y263 PolarHBondContact O-N 3.21Å; P261-Y263 VanDerWaalsContact O-N 3.07Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 3.08Å
264A36.4Very low38.9Very low71 Ų71130.9 Ų130.959%0.58765%0.653SS**Hα-helixtrans-59.9-29.4171.700000114.7S262S262-A264 PolarHBondContact O-N 2.81Å
265S39.2Very low39Very low57 Ų57124.3 Ų124.340%0.39964%0.639SS.*Hα-helixtrans-75.5-27-175.654.10000113.8S262 Y263S262-S265 PolarHBondContact O-N 3.37Å; S262-S265 PolarHBondContact O-OG 3.41Å; Y263-S265 VanDerWaalsContact C-N 3.28Å; Y263-S265 PolarHBondContact O-N 3.08Å
266R39.8Very low39.3Very low178 Ų178123.2 Ų123.267%0.67262%0.622SS**Hα-helixtrans-69.1-42.8175.5-68.6-169.5-166.2-1413.4111.8R268 R269R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 2.9Å; R266-R269 PolarHBondContact O-N 3.11Å
267Y37Very low39.7Very low164 Ų164119.8 Ų119.864%0.64361%0.607SS**Hα-helixtrans-69.3-26.3-178.7-76.6-76.5000114.3R269 I271Y267-R269 VanDerWaalsContact C-N 3.3Å; Y267-R269 PolarHBondContact O-N 3.11Å; Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 3.23Å
268R39.8Very low40.1Very low204 Ų204113.7 Ų113.777%0.7760%0.598SS**Hα-helixtrans-68.7-27.6174.9-81.6-162.9179-159.51.8113.1R266 V272R266-R268 VanDerWaalsContact C-N 3.33Å; R266-R268 PolarHBondContact O-N 2.9Å; R268-V272 WeakPolarHBondContact O-CG2 3.49Å
269R38.2Very low40.3Very low198 Ų198113 Ų11375%0.74760%0.597SS**Hα-helixtrans-73.3-44.1176.5-78-175.6174.9143.6-0.1111.3R266 Y267 I271 V272 T273R266-R269 PolarHBondContact O-N 3.11Å; Y267-R269 VanDerWaalsContact C-N 3.3Å; Y267-R269 PolarHBondContact O-N 3.11Å; R269-I271 VanDerWaalsContact C-N 3.34Å; R269-I271 PolarHBondContact O-N 3.14Å; R269-V272 PolarHBondContact O-N 3.11Å; R269-V272 VanDerWaalsContact O-N 3.17Å; R269-T273 PolarHBondContact O-N 3.45Å; R269-T273 VanDerWaalsContact O-N 3.09Å; R269-T273 PolarHBondContact O-OG1 2.79Å
270D42.2Very low40.2Very low93 Ų93112.1 Ų112.150%0.49759%0.591SS.*Hα-helixtrans-66.4-34.7-176.3-68.1-13.3000113.4V272 T273 L274D270-V272 VanDerWaalsContact C-N 3.32Å; D270-V272 PolarHBondContact O-N 2.98Å; D270-T273 PolarHBondContact O-N 3.13Å; D270-L274 WeakPolarHBondContact O-CB 3.16Å; D270-L274 PolarHBondContact O-N 2.76Å
271I42.5Very low40.1Very low119 Ų119114.8 Ų114.861%0.6159%0.594SS**Hα-helixtrans-65.5-37.3177.1-63.3168.6000111Y267 R269 A275Y267-I271 WeakPolarHBondContact O-CG1 3.38Å; Y267-I271 PolarHBondContact O-N 3.23Å; R269-I271 VanDerWaalsContact C-N 3.34Å; R269-I271 PolarHBondContact O-N 3.14Å; I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 3.07Å
272V41.3Very low39.6Very low94 Ų94113.7 Ų113.757%0.5760%0.598SS**Hα-helixtrans-69.8-42177.2177.60000110.5R268 R269 D270 L274 A275 V276R268-V272 WeakPolarHBondContact O-CG2 3.49Å; R269-V272 PolarHBondContact O-N 3.11Å; R269-V272 VanDerWaalsContact O-N 3.17Å; D270-V272 VanDerWaalsContact C-N 3.32Å; D270-V272 PolarHBondContact O-N 2.98Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.79Å; V272-A275 PolarHBondContact O-N 3.08Å; V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 VanDerWaalsContact O-CG2 3.25Å; V272-V276 WeakPolarHBondContact O-CG2 3.29Å; V272-V276 PolarHBondContact O-N 2.84Å
273T43Very low39.1Very low79 Ų79114.4 Ų114.449%0.48561%0.608SS.*Hα-helixtrans-63.2-39.9178-32.70000111.9R269 D270 V276 L277R269-T273 PolarHBondContact O-N 3.45Å; R269-T273 VanDerWaalsContact O-N 3.09Å; R269-T273 PolarHBondContact O-OG1 2.79Å; D270-T273 PolarHBondContact O-N 3.13Å; T273-V276 PolarHBondContact O-N 2.82Å; T273-L277 PolarHBondContact O-N 3.15Å
274L39.6Very low38.9Very low118 Ų118111.2 Ų111.262%0.61861%0.611SS**Hα-helixtrans-69.7-37.1176.2-91.8157.1000112.9D270 V272 V276 L277 A278D270-L274 WeakPolarHBondContact O-CB 3.16Å; D270-L274 PolarHBondContact O-N 2.76Å; V272-L274 VanDerWaalsContact C-N 3.34Å; V272-L274 PolarHBondContact O-N 2.79Å; L274-V276 VanDerWaalsContact C-N 3.33Å; L274-L277 PolarHBondContact O-N 3.44Å; L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.42Å
275A39.8Very low38.4Very low60 Ų60111.4 Ų111.450%0.49662%0.62SS.*Hα-helixtrans-64.2-38.817500000111.9I271 V272 A278 S279I271-A275 WeakPolarHBondContact O-CB 3.29Å; I271-A275 PolarHBondContact O-N 3.07Å; V272-A275 PolarHBondContact O-N 3.08Å; A275-A278 PolarHBondContact O-N 3.29Å; A275-S279 PolarHBondContact O-N 2.94Å
276V41.6Very low38Very low74 Ų74117.9 Ų117.945%0.44864%0.644SS.*Hα-helixtrans-66.7-40.4175.7173.90000111.3V272 T273 L274 S279 L280V272-V276 HydrophobicContact CG1-CG2 4.49Å; V272-V276 VanDerWaalsContact O-CG2 3.25Å; V272-V276 WeakPolarHBondContact O-CG2 3.29Å; V272-V276 PolarHBondContact O-N 2.84Å; T273-V276 PolarHBondContact O-N 2.82Å; L274-V276 VanDerWaalsContact C-N 3.33Å; V276-S279 PolarHBondContact O-N 2.84Å; V276-S279 PolarHBondContact O-OG 3.22Å; V276-L280 HydrophobicContact CG1-CD1 4.25Å; V276-L280 PolarHBondContact O-N 3.1Å
277L39.8Very low37.3Very low90 Ų90115.1 Ų115.147%0.47165%0.652SS.*Hα-helixtrans-65-41.1174.3-78.4167000111.8T273 L274 S279 L280 F281T273-L277 PolarHBondContact O-N 3.15Å; L274-L277 PolarHBondContact O-N 3.44Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.27Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.44Å; L277-F281 PolarHBondContact O-N 3.17Å; L277-F281 VanDerWaalsContact O-N 3.15Å
278A45.2Very low36.9Very low71 Ų71111.7 Ų111.759%0.58766%0.657SS**Hα-helixtrans-64.1-32.2176.700000112.7L274 A275L274-A278 WeakPolarHBondContact O-CB 3.41Å; L274-A278 PolarHBondContact O-N 3.42Å; A275-A278 PolarHBondContact O-N 3.29Å
279S43.9Very low36Very low87 Ų87107.5 Ų107.561%0.60866%0.66SS**Hα-helixtrans-77.9-23.7173.265.90000113.6A275 V276 L277A275-S279 PolarHBondContact O-N 2.94Å; V276-S279 PolarHBondContact O-N 2.84Å; V276-S279 PolarHBondContact O-OG 3.22Å; L277-S279 VanDerWaalsContact C-N 3.29Å; L277-S279 PolarHBondContact O-N 3.16Å
280L39.1Very low35.5Very low133 Ų133102.6 Ų102.670%0.69666%0.661SS**Hα-helixtrans-72.6-31.3173.6-114.1103.9000112.2V276 L277 G282V276-L280 HydrophobicContact CG1-CD1 4.25Å; V276-L280 PolarHBondContact O-N 3.1Å; L277-L280 PolarHBondContact O-N 3.27Å; L277-L280 VanDerWaalsContact O-N 3.12Å; L280-G282 PolarHBondContact O-N 3.2Å
281F37.1Very low34.6Very low170 Ų170104.9 Ų104.975%0.74668%0.678SS**SBendtrans-8363.2168.5-68.5-74.5000110.1L277L277-F281 VanDerWaalsContact O-CD2 3.28Å; L277-F281 WeakPolarHBondContact O-CD2 3.44Å; L277-F281 PolarHBondContact O-N 3.17Å; L277-F281 VanDerWaalsContact O-N 3.15Å
282G29.3Very low33.9Very low60 Ų60107.4 Ų107.462%0.61969%0.687SS**PPolyproline II helixtrans-50.2136.1174.900000112.1L280L280-G282 PolarHBondContact O-N 3.2Å
283A31Very low33.1Very low93 Ų93109.7 Ų109.777%0.76970%0.696SS**PPolyproline II helixtrans-54.7135.8179.300000111.9G285A283-G285 PolarHBondContact O-N 3.35Å
284P31.4Very low32.2Very low123 Ų123112.3 Ų112.380%0.79971%0.712SS**PPolyproline II helixtrans-65.8122.6178.525.9-32.3000110.3E286P284-E286 PolarHBondContact O-N 3.13Å
285G26.1Very low31.7Very low75 Ų75112.4 Ų112.477%0.77372%0.72SS**PPolyproline II helixtrans-59.4122.8175.800000111.7A283 S287A283-G285 PolarHBondContact O-N 3.35Å; G285-S287 PolarHBondContact O-N 3.24Å
286E29.5Very low31Very low193 Ų193114.7 Ų114.790%0.90273%0.732SS**  trans-73.8100.9170.6-72.8-177153.300109.3P284 A288P284-E286 PolarHBondContact O-N 3.13Å; E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.08Å
287S25.3Very low30.4Very low120 Ų120116.7 Ų116.784%0.83975%0.75SS**  trans-73.486.3164.656.40000109.3G285 S289G285-S287 PolarHBondContact O-N 3.24Å; S287-S289 PolarHBondContact O-N 2.9Å
288A28.3Very low29.7Very low91 Ų91123.4 Ų123.475%0.75277%0.768SS**  trans-90.993168.900000109.5E286 A290E286-A288 VanDerWaalsContact C-N 3.34Å; E286-A288 PolarHBondContact O-N 3.48Å; E286-A288 VanDerWaalsContact O-N 3.08Å; A288-A290 PolarHBondContact O-N 2.88Å; A288-A290 VanDerWaalsContact O-N 3.12Å
289S22.5Very low28.8Very low117 Ų117125.2 Ų125.282%0.81877%0.774SS**  trans-70.993.816560.80000109.3S287S287-S289 PolarHBondContact O-N 2.9Å
290A27.5Very low28.1Very low95 Ų95128 Ų12879%0.78579%0.787SS**  trans-111.786.7165.600000108.5A288 Q292A288-A290 PolarHBondContact O-N 2.88Å; A288-A290 VanDerWaalsContact O-N 3.12Å; A290-Q292 PolarHBondContact O-N 3.02Å
291V22.8Very low27.5Very low140 Ų140128 Ų12885%0.84879%0.788SS**  trans-69.9107.4158.9173.60000106.1
292Q26.8Very low27.2Very low172 Ų172129.5 Ų129.580%0.80480%0.797SS**  trans-157.4108.7160-114.7167.611.300111.2A290A290-Q292 PolarHBondContact O-N 3.02Å
293D25.6Very low27.1Very low142 Ų142130.4 Ų130.476%0.75981%0.807SS**  trans57.598.3140.3-57.3-25.3000119.3P295D293-P295 WeakPolarHBondContact O-CD 3.48Å
294V23.8Very low26.9Very low135 Ų135135.6 Ų135.682%0.81882%0.815SS**  trans-62.9122.4155.3173.70000110.3
295P28.9Very low26.8Very low119 Ų119134.6 Ų134.677%0.77382%0.817SS**  trans-96.4108.9148.526.7-12000108.5D293 S297D293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-S297 PolarHBondContact O-N 3.43Å
296S24.9Very low27Very low109 Ų109138.4 Ų138.476%0.76282%0.819SS**  trans-49.4115.5163.7142.40000110.9
297S29.7Very low27Very low116 Ų116137.1 Ų137.181%0.81182%0.819SS**  trans-127.7136154.562.80000109.7P295P295-S297 PolarHBondContact O-N 3.43Å
298R24.4Very low27.2Very low230 Ų230136.1 Ų136.187%0.86881%0.812SS**  trans-72.1157.8-162.1-79.8174.5173.2171.3-3.5113.7
299P26.7Very low27.4Very low109 Ų109140.2 Ų140.271%0.70882%0.82SS**  trans-75.2143-178.832.4-34.5000111.5
300V30.1Very low27.5Very low146 Ų146140.1 Ų140.189%0.88582%0.819SS**  trans-95.1105.5162.1174.80000106.7
301D26.6Very low27.5Very low132 Ų132139 Ų13971%0.70682%0.817SS**  trans-62.2136.5159.6-69.2-48.7000109.6
302Q29Very low27.8Very low202 Ų202141.9 Ų141.994%0.94482%0.821SS**  trans164.4126.1138.4-91.2165.129.800110.5
303G27.7Very low27.7Very low80 Ų80142.8 Ų142.883%0.82583%0.828SS**  trans144.760162.500000115.1
304E26.6Very low28.1Very low201 Ų201141.5 Ų141.594%0.93983%0.827SS**  trans-59.9133158.6-66.3176.5140.800110.4
305A31Very low28.3Very low102 Ų102145.4 Ų145.484%0.84383%0.833SS**  trans-161.290.6148.200000108.5
306L28.6Very low28.4Very low156 Ų156143.1 Ų143.182%0.81783%0.831SS**  trans-66.3130.5157.4-72.6160.3000107.9
307D31Very low28.5Very low166 Ų166147.8 Ų147.889%0.88884%0.837SS**  trans-143.8111.4142.2-107.7-24.5000110
308S29Very low28.5Very low99 Ų99147.8 Ų147.869%0.69284%0.837SS**  trans-94.4116.1178.4-56.40000107.3
309L31.4Very low28.9Very low176 Ų176142.1 Ų142.192%0.92183%0.831SS**  trans-121.486163.8-100.5157.1000108.9
310S25.5Very low28.9Very low115 Ų115145.1 Ų145.180%0.80484%0.84SS**  trans-74135.1157.663.70000109.6
311G26.8Very low29.1Very low71 Ų71142.6 Ų142.673%0.73283%0.834SS**  trans164.892.5162.400000114.8
312Q29.6Very low29.4Very low202 Ų202141.5 Ų141.594%0.94484%0.837SS**  171.9129.7111.7-99.7179.80.800111
313M25.2Very low29.4Very low191 Ų191141 Ų14194%0.94184%0.835SS**  trans-89.1167.8-179.3-93.7-158.2172.100112.9
314P33.6Very low30Very low115 Ų115143.1 Ų143.175%0.74783%0.834SS**  trans-99157.1-15838-32.9000114.5
315K29Very low30.2Very low217 Ų217138.5 Ų138.594%0.94382%0.824SS**  trans-149.1137.6170.5-78-173177.6173.70113.6
316G30Very low30.2Very low71 Ų71143.5 Ų143.573%0.73283%0.827SS**  trans105.3104.1162.900000113.5
317K27.1Very low30.4Very low206 Ų206141.6 Ų141.690%0.89682%0.821SS**  45.411956.1-66.7-174.6178-177.90110.5
318S30.7Very low30.6Very low116 Ų116138.6 Ų138.681%0.81181%0.811SS**  cis-170.2165.535.631.60000110.9
319P32.5Very low30.9Very low112 Ų112140.2 Ų140.273%0.72782%0.819SS**  trans-100.2159.6-173.938.6-30.9000113.2
320L26.8Very low30.8Very low171 Ų171135.8 Ų135.890%0.89581%0.808SS**  trans156.9119.3145.6-110.780.9000109.4
321A34.2Very low31.1Very low93 Ų93137.8 Ų137.877%0.76981%0.81SS**  trans-169.4109.4148.100000111.4
322S33Very low31.5Very low110 Ų110140.8 Ų140.877%0.76981%0.814SS**  trans57.5103.7142.757.10000120.3
323E28.6Very low31.6Very low192 Ų192134.8 Ų134.890%0.89780%0.799SS**  trans-62.4146.4141.1-67.8177.5145.900110.9
324P40.3Very low31.8Very low123 Ų123133.2 Ų133.280%0.79979%0.794SS**  trans-113.3115.314630.2-17.3000109.6
325S30.2Very low31.8Very low105 Ų105133.4 Ų133.473%0.73480%0.798SS**  trans-60.3130.2164.5550000111
326F30.8Very low31.8Very low207 Ų207132.9 Ų132.991%0.90880%0.799SS**  trans-125.6110.2156.1-157-97.5000108.7
327V33.2Very low32Very low115 Ų115134 Ų13470%0.69780%0.801SS**PPolyproline II helixtrans-81.1128.5-177174.20000108.7
328P36Very low32.1Very low104 Ų104128.3 Ų128.368%0.67579%0.793SS**PPolyproline II helixtrans-75.3150172.830.5-33.1000111.3A330P328-A330 PolarHBondContact O-N 2.77Å
329P35.2Very low32.2Very low132 Ų132127.7 Ų127.786%0.85779%0.788SS**PPolyproline II helixtrans-71.6124.5178.729.6-31.9000110.5
330A28.7Very low32.1Very low84 Ų84129.6 Ų129.669%0.69479%0.793SS**PPolyproline II helixtrans-81.4136.8153.800000107.9P328P328-A330 PolarHBondContact O-N 2.77Å
331D32.4Very low32.4Very low157 Ų157129.8 Ų129.884%0.8479%0.794SS**  trans178.4147.8138-90.5-24.4000112.2
332V35.1Very low32.2Very low134 Ų134135.2 Ų135.281%0.81280%0.8SS**  trans79.590.8165.4-154.10000115.4
333A30.7Very low32.3Very low76 Ų76138.5 Ų138.563%0.62880%0.803SS**  67.6121.864.400000115
334D30Very low32.6Very low157 Ų157134.5 Ų134.584%0.8479%0.794SS**  trans71.4104.7151.6-54.4-22.9000120.6
335S32.6Very low32.4Very low120 Ų120133.6 Ų133.684%0.83979%0.79SS**  -163.1103.4126.321.30000110.4A337S335-A337 PolarHBondContact O-N 3.35Å
336E29Very low32.6Very low205 Ų205138.2 Ų138.296%0.95880%0.797SS**  trans-59.6123.2158.5-66.2-179.9143.400109.5
337A34.4Very low32.7Very low94 Ų94136 Ų13678%0.77779%0.79SS**  trans-143.792.1160.900000109.2S335S335-A337 PolarHBondContact O-N 3.35Å
338A30.5Very low32.5Very low88 Ų88138 Ų13873%0.72780%0.797SS**  trans41.4101.7139.900000118.2
339S32.1Very low32.6Very low102 Ų102140.1 Ų140.171%0.71381%0.807SS**  4.1120.8123.757.50000116.5
340N30.6Very low32.5Very low153 Ų153142.8 Ų142.882%0.81881%0.806SS**  trans174.585.2136.8-89.1-32.5000109.9
341L33.1Very low32.5Very low175 Ų175144.7 Ų144.792%0.91681%0.814SS**  trans-151.492.9151.8-103136.6000108.5Q343L341-Q343 PolarHBondContact O-N 2.98Å
342K30.8Very low32.4Very low206 Ų206141.7 Ų141.790%0.89681%0.811SS**  trans-42.5115.8170.5-86.9169165.21740110.6
343Q33.6Very low32.6Very low179 Ų179141.2 Ų141.284%0.83681%0.81SS**  trans-72.6128.7157.9-72.6-175.3-3400108.4L341 S345L341-Q343 PolarHBondContact O-N 2.98Å; Q343-S345 PolarHBondContact O-N 3.03Å; Q343-S345 VanDerWaalsContact O-N 3.11Å
344P35.8Very low32.6Very low109 Ų109144 Ų14471%0.70882%0.819SS**  trans-74.7100.7174.329.1-30.5000109.2F346P344-F346 HydrophobicContact CB-CD2 4.38Å; P344-F346 HydrophobicContact CB-CE2 4.38Å; P344-F346 PolarHBondContact O-N 3.23Å
345S35.1Very low32.9Very low103 Ų103141.4 Ų141.472%0.7282%0.82SS**  trans-74.3104.3160.553.70000108.3Q343Q343-S345 PolarHBondContact O-N 3.03Å; Q343-S345 VanDerWaalsContact O-N 3.11Å
346F34.4Very low32.9Very low202 Ų202143 Ų14389%0.88681%0.814SS**  trans-88.6106162.2-87.9-80.9000108.8P344P344-F346 HydrophobicContact CB-CD2 4.38Å; P344-F346 HydrophobicContact CB-CE2 4.38Å; P344-F346 PolarHBondContact O-N 3.23Å
347E33.1Very low33.1Very low162 Ų162139.6 Ų139.676%0.75780%0.802SS**  trans-65.5136.7171.5-69.7176.8137.200111.6V349E347-V349 PolarHBondContact O-N 3.45Å
348N30.5Very low33Very low157 Ų157146.5 Ų146.584%0.8481%0.81SS**  trans27.384.6134.1-72.9-26.9000117.4K350N348-K350 PolarHBondContact O-N 3.21Å
349V36.5Very low33.1Very low147 Ų147146.8 Ų146.889%0.89181%0.812SS**  trans-84.2112.6153.6-178.50000108.5E347E347-V349 PolarHBondContact O-N 3.45Å
350K33Very low33.5Very low189 Ų189147.4 Ų147.482%0.82281%0.814SS**  trans-42.6133178.4-73.1163.7172.8172.10114.5N348N348-K350 PolarHBondContact O-N 3.21Å
351S29.4Very low33.6Very low123 Ų123147.9 Ų147.986%0.8682%0.816SS**  trans-63.9129.3154.627.30000111.9
352A29.9Very low33.9Very low94 Ų94147.2 Ų147.278%0.77781%0.813SS**  trans-168154.7157.300000109.2
353P40.6Very low34.1Very low124 Ų124146.5 Ų146.581%0.80581%0.81SS**  -119.7165.5-77.534.6-20.9000113.3A355P353-A355 PolarHBondContact O-N 3.33Å
354V29.8Very low34Very low134 Ų134143.6 Ų143.681%0.81281%0.806SS**  trans-45.7115.8169.8177.10000111.6
355A35.7Very low33.9Very low103 Ų103145.4 Ų145.485%0.85181%0.81SS**  trans-89.8118.116400000108.7P353P353-A355 PolarHBondContact O-N 3.33Å
356Q33.1Very low34Very low155 Ų155147.5 Ų147.572%0.72482%0.818SS**  trans-74.5148.5179.1-80.7173.3-49.500112.7
357D32.3Very low33.9Very low132 Ų132145 Ų14571%0.70681%0.814SS**  trans5594.7135.9-52.3-23.6000119.4
358Y33.2Very low33.9Very low240 Ų240142.9 Ų142.994%0.94181%0.812SS**  trans-13981.3142.8-88.3-83.2000109.1
359A33.7Very low34.1Very low93 Ų93141.4 Ų141.477%0.76981%0.811SS**  trans-96117.3160.800000107.6D361A359-D361 PolarHBondContact O-N 3.39Å
360P39.1Very low33.8Very low116 Ų116141.1 Ų141.175%0.75380%0.804SS**  trans-79.5107.3179.529.4-31000110.5L362P360-L362 PolarHBondContact O-N 2.96Å
361D32.5Very low33.9Very low163 Ų163137.5 Ų137.587%0.87280%0.803SS**  trans-67.6103.6158.6-85.9-31.6000109.1A359A359-D361 PolarHBondContact O-N 3.39Å
362L39Very low34.2Very low161 Ų161140.6 Ų140.684%0.84381%0.809SS**  trans-125.3101.5163.9-78168000108.9P360P360-L362 PolarHBondContact O-N 2.96Å
363K34.9Very low34.3Very low191 Ų191142.9 Ų142.983%0.8381%0.808SS**  trans-66.2146.9172.9-74176.3175.9176.10111.4
364P33.4Very low33.9Very low118 Ų118142.4 Ų142.477%0.76680%0.802SS**  trans-91.7125.7170.634.2-27.5000110.5
365D32.1Very low34.1Very low147 Ų147140.1 Ų140.179%0.78681%0.806SS**  trans-161.3100.9164.5-85.5-37.7000107.3
366V37Very low33.8Very low146 Ų146146.6 Ų146.689%0.88581%0.808SS**  trans-155.9126.3144.1-176.80000108.4
367D34.2Very low33.7Very low151 Ų151142.9 Ų142.981%0.80781%0.812SS**  trans-65.3147.2-168.1-60.5-72.1000116.8
368V32.3Very low33.7Very low116 Ų116141.3 Ų141.370%0.70382%0.817SS**  trans-78.2121.4166.5175.60000109.3N370V368-N370 PolarHBondContact O-N 2.94Å
369P35.4Very low33.7Very low127 Ų127135 Ų13583%0.82581%0.808SS**  trans-8199.3168.630.3-28.9000109.6
370N29.2Very low33.5Very low140 Ų140140 Ų14075%0.74982%0.816SS**  trans-82.8150.8161.5-91.1-27.4000110.3V368V368-N370 PolarHBondContact O-N 2.94Å
371S34.6Very low33.2Very low114 Ų114141.6 Ų141.680%0.79782%0.817SS**  trans84.698.4166.5770000117.5
372L36.2Very low33.3Very low187 Ų187142.6 Ų142.698%0.97982%0.816SS**  trans-127.7116.9135.6-96.6167.4000107.6
373D32.3Very low32.8Very low142 Ų142145 Ų14576%0.75982%0.819SS**  trans-98.8140.1-168-157.120.5000109.9
374V32.8Very low32.9Very low114 Ų114140.4 Ų140.469%0.69182%0.818SS**  trans48.2101149.2-179.50000118.8R376V374-R376 HydrophobicContact CG1-CB 4.27Å
375G32.5Very low32.8Very low86 Ų86142 Ų14289%0.88782%0.819SS**  trans-115.189.115400000110.5G377G375-G377 PolarHBondContact O-N 2.72Å
376R30Very low32.7Very low239 Ų239144.2 Ų144.290%0.90283%0.825SS**  trans-81.6103.5178.6-160.9-176.1-156.5178.95.6109V374V374-R376 HydrophobicContact CG1-CB 4.27Å
377G32.2Very low32.8Very low77 Ų77143 Ų14379%0.79482%0.82SS**  trans-113.594.8172.700000110.3G375G375-G377 PolarHBondContact O-N 2.72Å
378A30.3Very low32.6Very low100 Ų100141 Ų14183%0.82682%0.824SS**  trans-89.5126169.500000108.9
379S34.8Very low32.7Very low108 Ų108140.1 Ų140.176%0.75583%0.829SS**  trans-153.399.9158.355.90000109
380E28.1Very low32.4Very low196 Ų196143.7 Ų143.792%0.91684%0.835SS**  trans-61.4127.5160.7-66.8169.4136.200109.1
381I34.2Very low32.4Very low151 Ų151140.5 Ų140.577%0.77484%0.835SS**  trans-136.6104.7156.6-59.4-178.7000108
382E33.2Very low32.1Very low184 Ų184140.2 Ų140.286%0.8684%0.84SS**  trans30.1128.2140.4-69.8179.3143.900122
383K29.2Very low31.9Very low210 Ų210135.6 Ų135.691%0.91383%0.829SS**  trans-42133.7157.9-71.6165.9170.8174.60113.1
384A36.2Very low31.8Very low96 Ų96136.1 Ų136.179%0.79384%0.837SS**  trans-129.9105.1156.600000109.5
385D32.7Very low31.7Very low150 Ų150142 Ų14280%0.80285%0.847SS**  trans18119.7151.5-58.2-32000121P387D385-P387 WeakPolarHBondContact O-CD 3.48Å
386E28.8Very low31.6Very low195 Ų195141.8 Ų141.891%0.91184%0.836SS**  trans-61134.3151.9-80-179.513400111.5
387P39.2Very low31.7Very low119 Ų119136.1 Ų136.177%0.77383%0.83SS**  trans-110.1114.1148.330.2-17.8000109.6D385 A389D385-P387 WeakPolarHBondContact O-CD 3.48Å; P387-A389 PolarHBondContact O-N 2.76Å
388A29.8Very low31.8Very low109 Ų109137 Ų13790%0.90183%0.83SS**  trans-68.5113162.700000109.5
389A35.5Very low31.9Very low98 Ų98139.5 Ų139.581%0.8183%0.828SS**  trans-135.5107.7164.300000109.7P387P387-A389 PolarHBondContact O-N 2.76Å
390Q28.9Very low32Very low203 Ų203139.3 Ų139.395%0.94982%0.824SS**  trans-62.3136.6171-64.6167-8.600110
391G28.9Very low32.6Very low73 Ų73135.5 Ų135.575%0.75382%0.816SS**  trans-175.387174.900000111.7A393G391-A393 PolarHBondContact O-N 3.37Å
392A28.2Very low32.7Very low107 Ų107135.7 Ų135.788%0.88482%0.819SS**  trans-60.2116.817400000111.3
393A32.5Very low32.8Very low91 Ų91134.5 Ų134.575%0.75282%0.818SS**  trans-139.393.4158.900000108.5G391 R395G391-A393 PolarHBondContact O-N 3.37Å; A393-R395 PolarHBondContact O-N 2.85Å
394V29.6Very low33.1Very low153 Ų153129.9 Ų129.993%0.92781%0.808SS**  trans-57.499.3165.4176.10000107.4
395R31.1Very low32.9Very low238 Ų238134.2 Ų134.290%0.89881%0.811SS**  trans-114.8118167.2-159.3172.5-176.3-172.3-0.3108A393A393-R395 PolarHBondContact O-N 2.85Å
396A29.6Very low32.7Very low80 Ų80138.1 Ų138.166%0.66182%0.815SS**PPolyproline II helixtrans-48.9145.7-174.400000112.7A398A396-A398 PolarHBondContact O-N 2.93Å
397P33.4Very low33Very low121 Ų121134.4 Ų134.479%0.78681%0.811SS**PPolyproline II helixtrans-61.7122.1-177.625.6-33.4000110I399P397-I399 PolarHBondContact O-N 3.02Å
398A33.7Very low32.6Very low95 Ų95131.1 Ų131.179%0.78580%0.798SS**PPolyproline II helixtrans-58.4120.6167.400000108.3A396 P400A396-A398 PolarHBondContact O-N 2.93Å; A398-P400 WeakPolarHBondContact O-CD 3.41Å
399I32.1Very low32.8Very low153 Ų153131.9 Ų131.979%0.78579%0.794SS**PPolyproline II helixtrans-59.8118.1170.7-63.5166.9000106.5P397P397-I399 PolarHBondContact O-N 3.02Å
400P38Very low32.8Very low103 Ų103136.2 Ų136.267%0.66980%0.797SS**PPolyproline II helixtrans-65.6137.9175.526.7-31.8000108.9A398 D402A398-P400 WeakPolarHBondContact O-CD 3.41Å; P400-D402 PolarHBondContact O-N 3.16Å
401P40Very low32.8Very low117 Ų117130 Ų13076%0.7678%0.781SS**PPolyproline II helixtrans-66.2121.9-179.526-32.2000110.3N403P401-N403 PolarHBondContact O-N 2.99Å
402D36.6Very low33Very low154 Ų154132 Ų13282%0.82478%0.783SS**SBendtrans-57.2104.3158.8-68.5-37.1000107.5P400P400-D402 PolarHBondContact O-N 3.16Å
403N35.4Very low32.9Very low159 Ų159136.8 Ų136.885%0.8578%0.78SS**  trans179.667.4159.4-86.4-18.8000108.2P401P401-N403 PolarHBondContact O-N 2.99Å
404V34.9Very low32.8Very low114 Ų114137.1 Ų137.169%0.69178%0.777SS**  trans-10992.7158.7-176.70000105.4W406V404-W406 PolarHBondContact O-N 3.14Å
405E31.9Very low32.9Very low186 Ų186135.3 Ų135.387%0.86977%0.766SS**  trans-55.1104.6159.6-89.3177.514600107.1S407E405-S407 VanDerWaalsContact C-N 3.28Å; E405-S407 PolarHBondContact O-N 3.32Å
406W29.3Very low32.8Very low232 Ų232130.9 Ų130.988%0.87976%0.759SS**  trans-73.890.5168.2-85.967.8000107.7V404 G408V404-W406 PolarHBondContact O-N 3.14Å; W406-G408 PolarHBondContact O-N 3.1Å
407S35.3Very low32.9Very low118 Ų118133.5 Ų133.583%0.82576%0.762SS**  trans-69.275.4161.857.90000108.7E405E405-S407 VanDerWaalsContact C-N 3.28Å; E405-S407 PolarHBondContact O-N 3.32Å
408G29Very low32.9Very low49 Ų49132 Ų13251%0.50575%0.752SS.*  trans-74.6136.2167.300000109.4W406 E410W406-G408 PolarHBondContact O-N 3.1Å; G408-E410 PolarHBondContact O-N 2.89Å
409P34.9Very low32.8Very low125 Ų125132.3 Ų132.381%0.81275%0.748SS**  trans-62.7128.9-171.825.9-33.3000110.6A411P409-A411 PolarHBondContact O-N 2.94Å
410E34.8Very low32.8Very low189 Ų189134.9 Ų134.988%0.88375%0.75SS**  trans-53.897.5170.8-65.3-178.1161.600108.9G408 S412G408-E410 PolarHBondContact O-N 2.89Å; E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.11Å
411A30Very low32.3Very low72 Ų72140.9 Ų140.960%0.59576%0.759SS**  trans-7092.3169.200000106.9P409 Y413P409-A411 PolarHBondContact O-N 2.94Å; A411-Y413 HydrophobicContact CB-CE2 4.28Å; A411-Y413 VanDerWaalsContact O-CD2 3.24Å; A411-Y413 WeakPolarHBondContact O-CD2 3.4Å; A411-Y413 PolarHBondContact O-N 3.17Å
412S32.3Very low31.8Very low115 Ų115144.7 Ų144.780%0.80476%0.764SS**  trans-58.496.7169.741.80000109.3E410 S414E410-S412 VanDerWaalsContact C-N 3.26Å; E410-S412 PolarHBondContact O-N 3.11Å; S412-S414 PolarHBondContact O-N 2.89Å; S412-S414 VanDerWaalsContact O-N 3.12Å
413Y26.6Very low31.6Very low208 Ų208146 Ų14682%0.81677%0.767SS**  trans-71.5101.2166.9-75.6-86.7000108.1A411 T415A411-Y413 HydrophobicContact CB-CE2 4.28Å; A411-Y413 VanDerWaalsContact O-CD2 3.24Å; A411-Y413 WeakPolarHBondContact O-CD2 3.4Å; A411-Y413 PolarHBondContact O-N 3.17Å; Y413-T415 VanDerWaalsContact C-N 3.3Å; Y413-T415 PolarHBondContact O-N 2.7Å
414S30.2Very low31.3Very low98 Ų98145.4 Ų145.469%0.68576%0.764SS**  trans-66.989.8163.9159.50000108.1S412 I416S412-S414 PolarHBondContact O-N 2.89Å; S412-S414 VanDerWaalsContact O-N 3.12Å; S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 2.9Å
415T31.5Very low31.3Very low115 Ų115148 Ų14871%0.70677%0.774SS**  trans-66.699.8163.8-55.90000106.8Y413 D417Y413-T415 VanDerWaalsContact C-N 3.3Å; Y413-T415 PolarHBondContact O-N 2.7Å; T415-D417 PolarHBondContact O-N 2.91Å
416I29.2Very low31.2Very low145 Ų145142.5 Ų142.574%0.74477%0.767SS**  trans-67.8102.8170.7-64.1169.2000105.6S414 P418S414-I416 VanDerWaalsContact C-N 3.35Å; S414-I416 PolarHBondContact O-N 2.9Å; I416-P418 WeakPolarHBondContact O-CD 3.43Å
417D31Very low31.1Very low135 Ų135138.2 Ų138.272%0.72276%0.76SS**  trans-56.1121.8172.7-82.3-36.2000108.9T415 S419T415-D417 PolarHBondContact O-N 2.91Å; D417-S419 PolarHBondContact O-N 2.93Å
418P33Very low31Very low90 Ų90140.5 Ų140.558%0.58476%0.763SS**  trans-65.1109.5171.424.9-29.2000107.5I416 Y420I416-P418 WeakPolarHBondContact O-CD 3.43Å; P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.17Å; P418-Y420 WeakPolarHBondContact O-CD2 3.46Å; P418-Y420 PolarHBondContact O-N 3.06Å
419S32.4Very low31.2Very low101 Ų101145.4 Ų145.471%0.70678%0.778SS**  trans-54.896.4171.254.80000109.4D417 W421D417-S419 PolarHBondContact O-N 2.93Å; S419-W421 PolarHBondContact O-N 3.24Å
420Y32.3Very low30.8Very low208 Ų208142.9 Ų142.982%0.81677%0.774SS**  trans-64.3121.5166.9-76.5-87.5000107.7P418 K422P418-Y420 VanDerWaalsContact C-N 3.34Å; P418-Y420 HydrophobicContact CG-CE2 4.17Å; P418-Y420 WeakPolarHBondContact O-CD2 3.46Å; P418-Y420 PolarHBondContact O-N 3.06Å; Y420-K422 PolarHBondContact O-N 2.84Å
421W27.5Very low30.5Very low229 Ų229142.2 Ų142.287%0.86778%0.776SS**  trans-56.6120.6178.1-71.865.3000109S419 M423S419-W421 PolarHBondContact O-N 3.24Å; W421-M423 PolarHBondContact O-N 3.44Å
422K28.6Very low30.4Very low197 Ų197149.1 Ų149.186%0.85779%0.792SS**  trans-49.999.1166.2-90.2177.2167178.80108.9Y420 N424Y420-K422 PolarHBondContact O-N 2.84Å; K422-N424 PolarHBondContact O-N 2.88Å
423M32.7Very low30.3Very low182 Ų182146.6 Ų146.690%0.89778%0.784SS**  trans-79.9111.9159.8-72-171.3-170.100106.6W421W421-M423 PolarHBondContact O-N 3.44Å
424N30.8Very low30.4Very low145 Ų145143 Ų14378%0.77578%0.784SS**  trans-54.9145.9-175.7-72.4-39000112.9K422 G426K422-N424 PolarHBondContact O-N 2.88Å; N424-G426 PolarHBondContact O-N 3.26Å
425D33.1Very low30.3Very low168 Ų168143 Ų14390%0.89879%0.79SS**  trans-50.4111.4175.5-56.2-55.7000112.4
426G30.1Very low30.2Very low71 Ų71145.2 Ų145.273%0.73279%0.792SS**  trans-116.173.6176.300000111.9N424N424-G426 PolarHBondContact O-N 3.26Å
427I28.7Very low30.2Very low143 Ų143145.3 Ų145.373%0.73379%0.794SS**  trans60.1100.4146.8-54.9162.7000117.2N429I427-N429 PolarHBondContact O-N 3.49Å
428D32.9Very low30.2Very low166 Ų166147.4 Ų147.489%0.88880%0.797SS**  trans-49.3106.9152.9-79.9-39.8000111.9
429N33.4Very low30Very low152 Ų152149 Ų14981%0.81381%0.811SS**  trans-103.6103.1157.6-80.3-25.9000108.4I427I427-N429 PolarHBondContact O-N 3.49Å
430G26Very low29.8Very low71 Ų71146.6 Ų146.673%0.73280%0.801SS**  trans-63.7150.8-171.600000115.4
431L28.2Very low29.5Very low176 Ų176145.8 Ų145.892%0.92181%0.805SS**  trans-138.391.3145.7-106154.9000107.5G433L431-G433 PolarHBondContact O-N 2.96Å
432K28.1Very low29.7Very low217 Ų217140.7 Ų140.794%0.94380%0.8SS**  trans-57.3114.6159.3-93.5172.6169.81720108
433G29.3Very low29.8Very low61 Ų61140.5 Ų140.563%0.62980%0.799SS**  trans-150.275.8176.400000111.3L431L431-G433 PolarHBondContact O-N 2.96Å
434T29.4Very low29.6Very low134 Ų134143.7 Ų143.782%0.82280%0.801SS**  trans45.5104.714953.80000118.6Q436T434-Q436 PolarHBondContact O-N 3.3Å
435A28.7Very low29.7Very low97 Ų97140.8 Ų140.880%0.80280%0.797SS**  trans-48.1117.1154.600000110.2
436Q27.9Very low29.6Very low161 Ų161139.7 Ų139.775%0.75279%0.791SS**  trans-110.8102.1167.3-145.3173.42600106.7T434 F438T434-Q436 PolarHBondContact O-N 3.3Å; Q436-F438 HydrophobicContact CG-CE2 4.46Å; Q436-F438 PolarHBondContact O-N 3.36Å; Q436-F438 VanDerWaalsContact O-N 3.08Å
437D29.9Very low29.5Very low148 Ų148144 Ų14479%0.79179%0.793SS**  trans-59.4104.9175-66-45.5000109.8
438F30.3Very low29.6Very low179 Ų179142 Ų14279%0.78579%0.788SS**  trans-104.774.6159.5-87.4-84.3000108.6Q436 G440Q436-F438 HydrophobicContact CG-CE2 4.46Å; Q436-F438 PolarHBondContact O-N 3.36Å; Q436-F438 VanDerWaalsContact O-N 3.08Å; F438-G440 PolarHBondContact O-N 3.02Å
439S29.6Very low29.6Very low123 Ų123137.6 Ų137.686%0.8678%0.775SS**  trans-72.473.1157.162.70000108.6
440G27.9Very low29.6Very low50 Ų50141 Ų14152%0.51578%0.777SS.*  trans-120.297.9172.100000108.2F438 T442F438-G440 PolarHBondContact O-N 3.02Å; G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 2.98Å
441E27.4Very low29.6Very low191 Ų191147.3 Ų147.389%0.89378%0.779SS**  trans-57.986.1176.4-63.4177.9158.900111.4K443E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.1Å
442T31.2Very low29.7Very low123 Ų123148.2 Ų148.276%0.75578%0.775SS**  trans-79.195.5163.9410000108.3G440 W444G440-T442 VanDerWaalsContact C-N 3.32Å; G440-T442 PolarHBondContact O-N 2.98Å; T442-W444 PolarHBondContact O-N 3.31Å; T442-W444 VanDerWaalsContact O-N 3.15Å
443K30.6Very low30Very low192 Ų192147.5 Ų147.584%0.83577%0.766SS**  trans-39.8117.2161.2-70.9174.9177.1174.10109.3E441 A445E441-K443 PolarHBondContact O-N 3.38Å; E441-K443 VanDerWaalsContact O-N 3.1Å; K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.75Å
444W28.2Very low30.1Very low250 Ų250149.5 Ų149.595%0.94777%0.771SS**  trans-6489.5174.8-65.381.2000109.3T442 N446T442-W444 PolarHBondContact O-N 3.31Å; T442-W444 VanDerWaalsContact O-N 3.15Å; W444-N446 PolarHBondContact O-N 2.86Å; W444-N446 VanDerWaalsContact O-N 3.09Å
445A32.3Very low30.4Very low84 Ų84153 Ų15369%0.69478%0.775SS**  trans-74.495167.200000107.7K443 E447K443-A445 VanDerWaalsContact C-N 3.3Å; K443-A445 PolarHBondContact O-N 2.75Å; A445-E447 VanDerWaalsContact C-N 3.28Å; A445-E447 PolarHBondContact O-N 2.95Å
446N31.3Very low30.5Very low144 Ų144150.9 Ų150.977%0.7776%0.763SS**  trans-6981175.3-155.9-7.9000109.1W444W444-N446 PolarHBondContact O-N 2.86Å; W444-N446 VanDerWaalsContact O-N 3.09Å
447E28.7Very low30.5Very low163 Ų163148.2 Ų148.276%0.76276%0.762SS**  trans-104.184.2178.1-72.7-162.2173.400112.3A445A445-E447 VanDerWaalsContact C-N 3.28Å; A445-E447 PolarHBondContact O-N 2.95Å
448P29.7Very low30.6Very low99 Ų99148.6 Ų148.664%0.64376%0.762SS**  trans-118.523.5135.534.8-28.5000111.5R450P448-R450 PolarHBondContact O-N 3.18Å; P448-R450 VanDerWaalsContact O-N 3.11Å
449A34.3Very low30.4Very low74 Ų74144.2 Ų144.261%0.61275%0.754SS**G310 helixtrans-67.3-1.6170.100000114W451 K452A449-W451 PolarHBondContact O-N 3.34Å; A449-W451 VanDerWaalsContact O-N 3.11Å; A449-K452 PolarHBondContact O-N 3.16Å
450R33Very low30.4Very low224 Ų224143.4 Ų143.485%0.84575%0.748SS**G310 helixtrans-75.85.4-177-148.2175.6173.8-161.1-2.4114.9P448P448-R450 PolarHBondContact O-N 3.18Å; P448-R450 VanDerWaalsContact O-N 3.11Å
451W25.5Very low30.6Very low204 Ų204147.4 Ų147.477%0.77376%0.762SS**G310 helixtrans-116.222.1175.4-61.774.9000113.9A449 R453A449-W451 PolarHBondContact O-N 3.34Å; A449-W451 VanDerWaalsContact O-N 3.11Å; W451-R453 PolarHBondContact O-N 3.36Å
452K29.8Very low30.6Very low195 Ų195141 Ų14185%0.84875%0.747SS**  trans-71.474.1155.3-82.1-173.2176.1179.50109.2A449 S454A449-K452 PolarHBondContact O-N 3.16Å; K452-S454 VanDerWaalsContact C-N 3.3Å; K452-S454 PolarHBondContact O-N 3.18Å
453R34.9Very low30.4Very low202 Ų202142.8 Ų142.876%0.76275%0.749SS**  trans-68.1101156.3-75.4-172.9-174.2172.13.1106.3W451 F455W451-R453 PolarHBondContact O-N 3.36Å; R453-F455 PolarHBondContact O-N 2.88Å
454S31.6Very low30.3Very low103 Ų103142.6 Ų142.672%0.7275%0.751SS**  trans-37.1108.9161160.60000109.3K452 G456K452-S454 VanDerWaalsContact C-N 3.3Å; K452-S454 PolarHBondContact O-N 3.18Å; S454-G456 PolarHBondContact O-N 3.38Å; S454-G456 PolarHBondContact OG-N 2.86Å
455F36.4Very low30.5Very low207 Ų207139.4 Ų139.491%0.90874%0.744SS**  trans-64.189.9152.3-70.1-81.9000105.2R453 S457R453-F455 PolarHBondContact O-N 2.88Å; F455-S457 PolarHBondContact O-N 3.32Å
456G29.6Very low30.6Very low53 Ų53140 Ų14055%0.54675%0.749SS.*  trans-55.3108.5166.700000105.8S454 I458S454-G456 PolarHBondContact O-N 3.38Å; S454-G456 PolarHBondContact OG-N 2.86Å; G456-I458 VanDerWaalsContact C-N 3.33Å; G456-I458 PolarHBondContact O-N 2.96Å
457S27.9Very low30.5Very low105 Ų105136.8 Ų136.873%0.73474%0.738SS**  trans-53.3103.3167.7-175.70000106.3F455 S459F455-S457 PolarHBondContact O-N 3.32Å; S457-S459 PolarHBondContact O-N 3.25Å
458I32.7Very low30.8Very low156 Ų156137 Ų13780%0.874%0.744SS**  trans-76.876.9162.2-47.1170.1000103.7G456 S460G456-I458 VanDerWaalsContact C-N 3.33Å; G456-I458 PolarHBondContact O-N 2.96Å; I458-S460 PolarHBondContact O-N 3.42Å
459S25.8Very low30.9Very low87 Ų87139.9 Ų139.961%0.60875%0.749SS**  trans-55.6118.116653.50000107S457 V461S457-S459 PolarHBondContact O-N 3.25Å; S459-V461 PolarHBondContact O-N 2.93Å; S459-V461 VanDerWaalsContact O-N 3.16Å
460S29.1Very low30.7Very low106 Ų106144.2 Ų144.274%0.74176%0.757SS**  trans10.792.2159.565.30000115I458 G462I458-S460 PolarHBondContact O-N 3.42Å; S460-G462 VanDerWaalsContact C-N 3.25Å; S460-G462 PolarHBondContact O-N 3.46Å; S460-G462 VanDerWaalsContact O-N 3.08Å
461V32.9Very low30.8Very low134 Ų134141.9 Ų141.981%0.81276%0.76SS**  trans-68.6102.9145.5-178.90000103.9S459 M463S459-V461 PolarHBondContact O-N 2.93Å; S459-V461 VanDerWaalsContact O-N 3.16Å; V461-M463 PolarHBondContact O-N 2.92Å
462G27.4Very low31.1Very low56 Ų56138.4 Ų138.458%0.57776%0.762SS**  trans-51.1129.8-176.100000110.1S460 Q464S460-G462 VanDerWaalsContact C-N 3.25Å; S460-G462 PolarHBondContact O-N 3.46Å; S460-G462 VanDerWaalsContact O-N 3.08Å; G462-Q464 PolarHBondContact O-N 3.33Å
463M27Very low31Very low161 Ų161132.6 Ų132.679%0.79376%0.757SS**  trans-63.796.4161.2-64.9-138.3-57.100106.1V461 F465V461-M463 PolarHBondContact O-N 2.92Å; M463-F465 VanDerWaalsContact C-N 3.28Å; M463-F465 WeakPolarHBondContact O-CD2 3.49Å; M463-F465 PolarHBondContact O-N 2.76Å
464Q29.3Very low30.7Very low188 Ų188126.3 Ų126.388%0.87976%0.756SS**  trans-64.899.2168.9-163.5170.99.700105G462 A466G462-Q464 PolarHBondContact O-N 3.33Å; Q464-A466 PolarHBondContact O-N 2.93Å
465F32Very low30.7Very low182 Ų182128.9 Ų128.980%0.79877%0.766SS**  trans-50.6110.2171.7-71.6-89.3000106.9M463 S467M463-F465 VanDerWaalsContact C-N 3.28Å; M463-F465 WeakPolarHBondContact O-CD2 3.49Å; M463-F465 PolarHBondContact O-N 2.76Å; F465-S467 PolarHBondContact O-N 2.82Å
466A34Very low30.5Very low96 Ų96127.5 Ų127.579%0.79376%0.763SS**  trans-58.6105.2156.700000104.4Q464Q464-A466 PolarHBondContact O-N 2.93Å
467S28.6Very low30.8Very low78 Ų78129.3 Ų129.355%0.54577%0.772SS.*  trans-45.9142.2-177.948.10000111.3F465 Q469F465-S467 PolarHBondContact O-N 2.82Å; S467-Q469 PolarHBondContact O-N 3.04Å
468D35.6Very low30.8Very low167 Ų167130.6 Ų130.689%0.89378%0.775SS**  trans-63.853166.8-65.7-40.6000112Q470D468-Q470 PolarHBondContact O-N 3.08Å
469Q32.1Very low31Very low159 Ų159128.4 Ų128.474%0.74377%0.771SS**  trans-72.485.2166.8-87.9-174.4-6.300108.1S467 L471S467-Q469 PolarHBondContact O-N 3.04Å; Q469-L471 PolarHBondContact O-N 3.29Å
470Q29.8Very low31.3Very low166 Ų166129.3 Ų129.378%0.77678%0.778SS**  26.774.3127.3-67.8177.8-11.600114.7D468 T472D468-Q470 PolarHBondContact O-N 3.08Å; Q470-T472 PolarHBondContact O-N 2.92Å
471L35.6Very low31.5Very low174 Ų174129.2 Ų129.291%0.91178%0.777SS**  trans-93.157.1149.5-67.7176.6000108.4Q469 G473Q469-L471 PolarHBondContact O-N 3.29Å; L471-G473 VanDerWaalsContact C-N 3.29Å; L471-G473 PolarHBondContact O-N 3.35Å
472T32.2Very low31.5Very low131 Ų131130.1 Ų130.180%0.80478%0.777SS**  trans-83.180.2157.647.10000107.2Q470Q470-T472 PolarHBondContact O-N 2.92Å
473G26.9Very low32.1Very low73 Ų73132.9 Ų132.975%0.75379%0.785SS**  trans-172.8106.8177.700000110.8L471L471-G473 VanDerWaalsContact C-N 3.29Å; L471-G473 PolarHBondContact O-N 3.35Å
474G28.3Very low32.3Very low71 Ų71134.2 Ų134.273%0.73279%0.791SS**  trans121.455.4168.200000115.3E476G474-E476 PolarHBondContact O-N 3.29Å; G474-E476 VanDerWaalsContact O-N 3.14Å
475V31.1Very low32.4Very low156 Ų156129.7 Ų129.795%0.94578%0.78SS**  trans-76.481.2148179.90000105.8
476E33.6Very low32.4Very low179 Ų179125.9 Ų125.984%0.83678%0.776SS**  trans-123.6119.9168.6-91.5-166162.700110.5G474G474-E476 PolarHBondContact O-N 3.29Å; G474-E476 VanDerWaalsContact O-N 3.14Å
477A34.3Very low32.1Very low90 Ų90129.4 Ų129.474%0.74478%0.778SS**  trans57.396.9153.900000118.6P479A477-P479 VanDerWaalsContact O-CD 3.29Å; A477-P479 WeakPolarHBondContact O-CD 3.42Å
478V28.4Very low32.5Very low132 Ų132132 Ų13280%0.879%0.793SS**  trans-61132142.7172.70000108.9
479P37.6Very low32.4Very low110 Ų110127.7 Ų127.771%0.71478%0.781SS**  trans-119106.8133.228-17.5000109A477 S481A477-P479 VanDerWaalsContact O-CD 3.29Å; A477-P479 WeakPolarHBondContact O-CD 3.42Å; P479-S481 PolarHBondContact O-N 2.78Å
480S31.8Very low32.2Very low107 Ų107131.8 Ų131.875%0.74879%0.79SS**  trans-64.193.6162.549.90000108.8
481S33.7Very low32Very low104 Ų104128 Ų12873%0.72780%0.796SS**  trans-111.978.6163.147.70000108.7P479 P483P479-S481 PolarHBondContact O-N 2.78Å; S481-P483 WeakPolarHBondContact O-CD 3.45Å
482L33.5Very low31.6Very low153 Ų153123.2 Ų123.280%0.80179%0.788SS**  trans-60.4124.2155.4-74.7166.1000107.3M484L482-M484 VanDerWaalsContact C-N 3.29Å; L482-M484 PolarHBondContact O-N 2.79Å
483P39Very low31.6Very low114 Ų114124.3 Ų124.374%0.7479%0.788SS**  trans-68.496.4162.427.4-29.3000107.8S481 S485S481-P483 WeakPolarHBondContact O-CD 3.45Å; P483-S485 PolarHBondContact O-N 3.36Å
484M30.4Very low32Very low188 Ų188129 Ų12993%0.92679%0.794SS**  trans-68.370.7159.8-78.5-90.5-74.100108.4L482L482-M484 VanDerWaalsContact C-N 3.29Å; L482-M484 PolarHBondContact O-N 2.79Å
485S32.1Very low32.5Very low93 Ų93131.8 Ų131.865%0.6579%0.792SS**  trans-106.796.6169.961.30000109.6P483P483-S485 PolarHBondContact O-N 3.36Å
486S33Very low32.8Very low103 Ų103130.9 Ų130.972%0.7279%0.788SS**  trans45.1101.214960.20000117.4P488S486-P488 WeakPolarHBondContact O-CD 3.19Å
487M26.3Very low33.1Very low170 Ų170133.1 Ų133.184%0.83779%0.79SS**  trans-52.3125.8147.6-67.8-171.1-40.300109.3A489M487-A489 VanDerWaalsContact C-N 3.26Å; M487-A489 PolarHBondContact O-N 2.98Å
488P36.5Very low32.9Very low132 Ų132132.8 Ų132.886%0.85780%0.795SS**  trans-72.194.8151.33.414.9000106S486S486-P488 WeakPolarHBondContact O-CD 3.19Å
489A33.9Very low33Very low77 Ų77128.8 Ų128.864%0.63678%0.78SS**  trans-64.9134.8163.700000108.6M487M487-A489 VanDerWaalsContact C-N 3.26Å; M487-A489 PolarHBondContact O-N 2.98Å
490R27.8Very low33.2Very low244 Ų244129.6 Ų129.692%0.92179%0.786SS**SBendtrans80.8105.2146.7-145.3173.3-166.9167.62117.1
491G26Very low33.5Very low88 Ų88132 Ų13291%0.90779%0.789SS**  trans42.287.3134.500000117
492G28.2Very low34.1Very low73 Ų73132.7 Ų132.775%0.75379%0.792SS**  trans-132.6114.5166.500000108.5
493I31.7Very low34.4Very low154 Ų154130.6 Ų130.679%0.7979%0.789SS**  trans-37.1130.8173.8-69143.5000112.8D495I493-D495 VanDerWaalsContact C-N 3.28Å; I493-D495 PolarHBondContact O-N 2.95Å
494L35.5Very low34.6Very low170 Ų170129.5 Ų129.589%0.8979%0.79SS**  trans6.960.1140.9-146.491.4000118T496L494-T496 PolarHBondContact O-N 2.97Å
495D38.1Very low35Very low130 Ų130128.9 Ų128.970%0.69579%0.785SS**  trans-85.6110.4163.1-83.1-24.3000108.6I493 Y497I493-D495 VanDerWaalsContact C-N 3.28Å; I493-D495 PolarHBondContact O-N 2.95Å; D495-Y497 VanDerWaalsContact O-CD2 3.31Å; D495-Y497 WeakPolarHBondContact O-CD2 3.29Å; D495-Y497 PolarHBondContact O-N 3.26Å
496T38Very low35.4Very low138 Ų138128.8 Ų128.885%0.84778%0.784SS**  trans-25.690157.321.10000113.3L494 G498L494-T496 PolarHBondContact O-N 2.97Å; T496-G498 PolarHBondContact O-N 3.23Å
497Y40Very low35.9Very low226 Ų226131.6 Ų131.689%0.88679%0.791SS**  trans-75.382.2158.1-79-85.5000108.1D495 G499D495-Y497 VanDerWaalsContact O-CD2 3.31Å; D495-Y497 WeakPolarHBondContact O-CD2 3.29Å; D495-Y497 PolarHBondContact O-N 3.26Å; Y497-G499 PolarHBondContact O-N 3.21Å
498G29.5Very low36.4Very low82 Ų82129.6 Ų129.685%0.84578%0.781SS**  trans-69.867154.600000109.4T496T496-G498 PolarHBondContact O-N 3.23Å
499G30.8Very low36.8Very low48 Ų48129 Ų12950%0.49578%0.778SS.*PPolyproline II helixtrans-90.8134.5165.400000108.8Y497 L501Y497-G499 PolarHBondContact O-N 3.21Å; G499-L501 PolarHBondContact O-N 3.48Å
500P41.1Very low37.3Very low127 Ų127131.9 Ų131.983%0.82578%0.782SS**PPolyproline II helixtrans-56127.6174.822.5-30.6000109
501L39Very low38Very low158 Ų158129.6 Ų129.683%0.82778%0.778SS**PPolyproline II helixtrans-49.9128.1174.6-84107.2000108G499 S503G499-L501 PolarHBondContact O-N 3.48Å; L501-S503 PolarHBondContact O-N 3.4Å
502P44.7Very low38.9Very low119 Ų119136.1 Ų136.177%0.77378%0.775SS**PPolyproline II helixtrans-56.7116.7175.922.4-30.5000107A504P502-A504 PolarHBondContact O-N 3.45Å
503S41.1Very low39.6Very low108 Ų108137.7 Ų137.776%0.75578%0.775SS**  trans-55.789.9164-45.10000105.7L501 E505L501-S503 PolarHBondContact O-N 3.4Å; S503-E505 PolarHBondContact O-N 3.16Å
504A42.4Very low40.2Very low91 Ų91139.4 Ų139.475%0.75278%0.777SS**  trans-69.280165.200000104.9P502 S506P502-A504 PolarHBondContact O-N 3.45Å; A504-S506 PolarHBondContact O-N 2.93Å
505E40.1Very low40.6Very low176 Ų176135.4 Ų135.482%0.82277%0.768SS**  trans-54.885.6150.5-74.7176.6158.300104.7S503 D507S503-E505 PolarHBondContact O-N 3.16Å; E505-D507 VanDerWaalsContact C-N 3.32Å; E505-D507 PolarHBondContact O-N 2.91Å
506S40.4Very low40.8Very low90 Ų90134.6 Ų134.663%0.62977%0.77SS**  trans-63.2107.216766.10000104.5A504 M508A504-S506 PolarHBondContact O-N 2.93Å; S506-M508 PolarHBondContact O-N 3.02Å
507D42.7Very low41.3Very low162 Ų162134.1 Ų134.187%0.86677%0.769SS**  trans-57.970.9158-88-28.1000107.8E505 P509E505-D507 VanDerWaalsContact C-N 3.32Å; E505-D507 PolarHBondContact O-N 2.91Å; D507-P509 WeakPolarHBondContact O-CD 3.44Å
508M37.3Very low41.5Very low128 Ų128127.6 Ų127.663%0.63176%0.762SS**  trans-63.6124.6162.8-146.3-164.7-40.600103.8S506 L510S506-M508 PolarHBondContact O-N 3.02Å; M508-L510 PolarHBondContact O-N 2.8Å
509P44.6Very low42Very low121 Ų121130.8 Ų130.879%0.78676%0.76SS**  trans-66.576.918026.1-33.7000109.8D507D507-P509 WeakPolarHBondContact O-CD 3.44Å
510L44.1Very low42.7Very low137 Ų137136.5 Ų136.572%0.71778%0.777SS**THydrogen-bonded Turntrans-67.9130.6166.6-73.9158.4000105.5M508M508-L510 PolarHBondContact O-N 2.8Å
511K42.7Very low42.7Very low196 Ų196135.4 Ų135.485%0.85277%0.773SS**THydrogen-bonded Turntrans84.144.9173.8-43.1174-173.5178.70116.4S513K511-S513 PolarHBondContact O-N 2.85Å
512R44.2Very low42.5Very low225 Ų225131.6 Ų131.685%0.84977%0.771SS**  -83.481.4129.6-83.6-172.8174.2160.70107.4F514R512-F514 VanDerWaalsContact C-N 3.34Å; R512-F514 PolarHBondContact O-N 2.85Å
513S42.7Very low41.8Very low105 Ų105129.1 Ų129.173%0.73477%0.768SS**  trans-50.8101.8159.9480000107.6K511 A515K511-S513 PolarHBondContact O-N 2.85Å; S513-A515 VanDerWaalsContact C-N 3.33Å; S513-A515 PolarHBondContact O-N 3.43Å
514F45.1Very low41.3Very low191 Ų191128 Ų12884%0.83877%0.774SS**  trans-63.7105.5160-74.1-85.3000105.3R512R512-F514 VanDerWaalsContact C-N 3.34Å; R512-F514 PolarHBondContact O-N 2.85Å
515A44.6Very low41Very low85 Ų85132.8 Ų132.870%0.70278%0.78SS**PPolyproline II helixtrans-55.1128.7165.800000106.4S513S513-A515 VanDerWaalsContact C-N 3.33Å; S513-A515 PolarHBondContact O-N 3.43Å
516P41.4Very low40.9Very low113 Ų113129.3 Ų129.373%0.73478%0.782SS**PPolyproline II helixtrans-54.6140.9174.322.3-30.9000108.5A518P516-A518 PolarHBondContact O-N 3.18Å
517P47.8Very low40.7Very low128 Ų128128.5 Ų128.583%0.83178%0.781SS**PPolyproline II helixtrans-51.7133.8178.820.1-30.4000109.4D519P517-D519 PolarHBondContact O-N 2.8Å
518A44.2Very low40.1Very low90 Ų90129.3 Ų129.374%0.74479%0.785SS**PPolyproline II helixtrans-48.2131.8-176.200000111P516 I520P516-A518 PolarHBondContact O-N 3.18Å; A518-I520 PolarHBondContact O-N 2.8Å
519D41.2Very low40Very low149 Ų149128.2 Ų128.280%0.79779%0.79SS**  trans-45.2103.3172.6-109.3-27.7000110P517 S521P517-D519 PolarHBondContact O-N 2.8Å; D519-S521 PolarHBondContact O-N 2.85Å
520I46Very low39.5Very low167 Ų167131.3 Ų131.386%0.85679%0.792SS**  trans-81.256.6161.342.9168.1000108.2A518 G522A518-I520 PolarHBondContact O-N 2.8Å; I520-G522 PolarHBondContact O-N 2.92Å
521S40.7Very low38.9Very low104 Ų104136 Ų13673%0.72780%0.799SS**  trans-776.4168.858.70000112.4D519D519-S521 PolarHBondContact O-N 2.85Å
522G33.7Very low38.3Very low78 Ų78135.2 Ų135.280%0.80480%0.799SS**  trans-105.177.1171.600000112I520I520-G522 PolarHBondContact O-N 2.92Å
523G30.2Very low37.8Very low68 Ų68130.1 Ų130.170%0.70180%0.795SS**  trans-173.235177.900000114.4
524G30.8Very low37.3Very low85 Ų85129 Ų12988%0.87679%0.792SS**  trans-85.68.1-178.700000115.6
525E36.5Very low36.5Very low190 Ų190125.4 Ų125.489%0.88879%0.791SS**SBendtrans-123.9127.4-179.9-80.2-174.6148.600111.5
526A37Very low35.9Very low103 Ų103127 Ų12785%0.85179%0.792SS**SBendtrans98.952.4172.200000117.8
527A37Very low35.3Very low74 Ų74126 Ų12661%0.61279%0.792SS**  trans-143.536.1150.600000113.2S529A527-S529 VanDerWaalsContact C-N 3.28Å; A527-S529 PolarHBondContact O-N 2.92Å
528N31Very low34.3Very low178 Ų178127.4 Ų127.495%0.95279%0.793SS**  trans-95.634.2171.8-121.46000112.6
529S34.6Very low33.6Very low106 Ų106127 Ų12774%0.74179%0.79SS**  trans-136.937.8176.650.60000111.8A527 R531A527-S529 VanDerWaalsContact C-N 3.28Å; A527-S529 PolarHBondContact O-N 2.92Å; S529-R531 PolarHBondContact O-N 3.01Å; S529-R531 VanDerWaalsContact O-N 3.11Å
530F33Very low33.1Very low186 Ų186128.8 Ų128.882%0.81680%0.798SS**  trans-79.873.3155.3-88.5-85.8000108.5Q532F530-Q532 PolarHBondContact O-N 2.94Å
531R33Very low32.1Very low234 Ų234124.8 Ų124.888%0.88380%0.798SS**  trans-67.1113152.6-97.2-167.2175.2-166.1-0.3105.6S529 P533S529-R531 PolarHBondContact O-N 3.01Å; S529-R531 VanDerWaalsContact O-N 3.11Å; R531-P533 WeakPolarHBondContact O-CD 3.47Å; R531-P533 VanDerWaalsContact O-N 3.12Å
532Q28.9Very low31.4Very low181 Ų181123.3 Ų123.385%0.84680%0.8SS**PPolyproline II helixtrans-47.3117.9171-69.6176-33.100108.4F530 A534F530-Q532 PolarHBondContact O-N 2.94Å; Q532-A534 PolarHBondContact O-N 3.1Å; Q532-A534 VanDerWaalsContact O-N 3.12Å
533P35.2Very low31.2Very low117 Ų117126.1 Ų126.176%0.7680%0.796SS**PPolyproline II helixtrans-60.9120.117122.4-28.5000107.4R531R531-P533 WeakPolarHBondContact O-CD 3.47Å; R531-P533 VanDerWaalsContact O-N 3.12Å
534A31.5Very low31.1Very low82 Ų82130.4 Ų130.468%0.67880%0.802SS**PPolyproline II helixtrans-55138.9173.800000109.6Q532 V536Q532-A534 PolarHBondContact O-N 3.1Å; Q532-A534 VanDerWaalsContact O-N 3.12Å; A534-V536 WeakPolarHBondContact O-CG2 3.49Å; A534-V536 PolarHBondContact O-N 2.89Å; A534-V536 VanDerWaalsContact O-N 3.09Å
535S28.7Very low31.2Very low115 Ų115133.6 Ų133.680%0.80480%0.799SS**  trans-31.3104.417653.20000114A537S535-A537 PolarHBondContact O-N 3.12Å
536V31.5Very low31Very low119 Ų119133 Ų13372%0.72179%0.794SS**  trans-93.380.1171.4-171.80000107.9A534 N538 A539A534-V536 WeakPolarHBondContact O-CG2 3.49Å; A534-V536 PolarHBondContact O-N 2.89Å; A534-V536 VanDerWaalsContact O-N 3.09Å; V536-N538 VanDerWaalsContact C-N 3.32Å; V536-A539 HydrophobicContact CG1-CB 4.45Å
537A27.8Very low30.5Very low91 Ų91139.1 Ų139.175%0.75280%0.795SS**  trans-87.48.5174.900000113.6S535S535-A537 PolarHBondContact O-N 3.12Å
538N27.6Very low30.3Very low159 Ų159141.5 Ų141.585%0.8580%0.804SS**  trans-124.240.4-169.4-73.8-4.8000114.6V536V536-N538 VanDerWaalsContact C-N 3.32Å
539A30.1Very low30.2Very low82 Ų82136.9 Ų136.968%0.67879%0.791SS**  trans-1167.8-179.100000115.6V536V536-A539 HydrophobicContact CG1-CB 4.45Å
540L29.8Very low30.1Very low185 Ų185138 Ų13897%0.96980%0.795SS**  trans-113.782.4-179.3-70.5167.7000110.3
541G25.1Very low30.2Very low83 Ų83135.9 Ų135.986%0.85680%0.798SS**SBendtrans-172.677.8175.500000111.5
542G26.8Very low30Very low73 Ų73127.7 Ų127.775%0.75379%0.786SS**  trans151.371.8171.900000113.2
543L29.5Very low29.9Very low138 Ų138128.8 Ų128.872%0.72379%0.791SS**  trans-149.544.4174.2-113.9150.4000111.8F546L543-F546 HydrophobicContact CD2-CD2 4.11Å; L543-F546 HydrophobicContact CD2-CE2 3.4Å; L543-F546 VanDerWaalsContact CD2-CE2 3.4Å; L543-F546 HydrophobicContact CD2-CZ 4.3Å
544D27.5Very low29.6Very low157 Ų157127.9 Ų127.984%0.8479%0.788SS**  trans-106.494.2163-78-40.5000108.3
545D32.9Very low29.4Very low152 Ų152134.5 Ų134.581%0.81380%0.797SS**  trans178.960.2150.4-96.7-21.7000111.1
546F32.2Very low29.3Very low178 Ų178134 Ų13478%0.78180%0.8SS**  trans-100.980.9162.2-76.9-68000109.5L543 P548L543-F546 HydrophobicContact CD2-CD2 4.11Å; L543-F546 HydrophobicContact CD2-CE2 3.4Å; L543-F546 VanDerWaalsContact CD2-CE2 3.4Å; L543-F546 HydrophobicContact CD2-CZ 4.3Å; F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.41Å
547R27.7Very low29.3Very low231 Ų231134 Ų13487%0.87280%0.802SS**  trans-68.7118.5162.5-96.1-178.3175.1-179.7-0.1108.8A549R547-A549 PolarHBondContact O-N 3.39Å
548P31.9Very low29.3Very low124 Ų124132.8 Ų132.881%0.80580%0.799SS**  trans-71.6114.4-179.927.3-31.9000110.1F546F546-P548 VanDerWaalsContact O-CD 3.32Å; F546-P548 WeakPolarHBondContact O-CD 3.41Å
549A29.7Very low29.4Very low81 Ų81132.4 Ų132.467%0.66980%0.802SS**  trans-70.9137.3169.700000110R547 V551R547-A549 PolarHBondContact O-N 3.39Å; A549-V551 PolarHBondContact O-N 3.1Å
550P31.5Very low29.4Very low129 Ų129138 Ų13884%0.83881%0.811SS**  trans-72.3101.4-178.527.9-32.2000110.1G552P550-G552 PolarHBondContact O-N 3.17Å
551V34.7Very low29.7Very low143 Ų143133.4 Ų133.487%0.86779%0.794SS**  trans-73.9115.5173.2-174.30000108.5A549A549-V551 PolarHBondContact O-N 3.1Å
552G29.6Very low29.9Very low62 Ų62133 Ų13364%0.63979%0.79SS**  trans-57.9140.2-175.600000114P550 S554P550-G552 PolarHBondContact O-N 3.17Å; G552-S554 PolarHBondContact O-N 3.43Å
553Q26Very low30.1Very low203 Ų203137.9 Ų137.995%0.94979%0.791SS**  trans-67108.3166.8-65.1175.8-5.200109.1
554S29.5Very low30.4Very low99 Ų99139.5 Ų139.569%0.69280%0.795SS**  trans-136.3106.4165.259.10000110.5G552G552-S554 PolarHBondContact O-N 3.43Å
555Y28.1Very low30.8Very low220 Ų220141 Ų14186%0.86379%0.794SS**  trans50.5109.5149.3-66.9-87.4000118.7P557Y555-P557 WeakPolarHBondContact O-CD 3.35Å
556A24.7Very low30.8Very low105 Ų105140.5 Ų140.587%0.86879%0.791SS**PPolyproline II helixtrans-61.6119.2162.200000112
557P32.6Very low31.2Very low119 Ų119137.3 Ų137.377%0.77379%0.788SS**PPolyproline II helixtrans-89.3143.1151.45.118000108.3Y555Y555-P557 WeakPolarHBondContact O-CD 3.35Å
558G27Very low31.6Very low66 Ų66131.6 Ų131.668%0.6878%0.783SS**PPolyproline II helixtrans-50.5137.5-167.400000116.2K560G558-K560 PolarHBondContact O-N 2.75Å
559V30Very low31.8Very low151 Ų151131.2 Ų131.292%0.91578%0.778SS**  trans-17.996.2141.3-86.20000113.4
560K31.1Very low32.1Very low198 Ų198131.5 Ų131.586%0.86177%0.773SS**  trans-92.4109.4146.1-79.3-173.5175.5-174.20106G558 G562G558-K560 PolarHBondContact O-N 2.75Å; K560-G562 PolarHBondContact O-N 3.13Å; K560-G562 VanDerWaalsContact O-N 3.13Å
561S35.1Very low32.7Very low90 Ų90134.7 Ų134.763%0.62978%0.777SS**  trans-51.9117.9172.355.60000108.8F563S561-F563 PolarHBondContact O-N 2.91Å
562G30.5Very low33Very low74 Ų74132.3 Ų132.376%0.76377%0.767SS**SBendtrans-68.939.2-179.800000114.8K560 E564K560-G562 PolarHBondContact O-N 3.13Å; K560-G562 VanDerWaalsContact O-N 3.13Å; G562-E564 VanDerWaalsContact C-N 3.26Å; G562-E564 PolarHBondContact O-N 2.8Å
563F30.8Very low33.5Very low175 Ų175137.8 Ų137.877%0.76877%0.773SS**THydrogen-bonded Turntrans-88.622.9177.5-94.2-78000113.1S561S561-F563 PolarHBondContact O-N 2.91Å
564E35.2Very low34Very low173 Ų173132.4 Ų132.481%0.80876%0.764SS**THydrogen-bonded Turntrans-102.33.6178.9-76.2-176.8174.500114.6G562G562-E564 VanDerWaalsContact C-N 3.26Å; G562-E564 PolarHBondContact O-N 2.8Å
565F35.9Very low34.5Very low188 Ų188133.3 Ų133.383%0.82577%0.765SS**  trans-118.631.1-178.8-71.9-77.9000114.9
566L33Very low34.8Very low142 Ų142126.3 Ų126.374%0.74375%0.752SS**SBendtrans-86.7120.4155.3-71.4177.2000107.5S568L566-S568 PolarHBondContact O-N 3.34Å
567P39.5Very low35.7Very low111 Ų111128.1 Ų128.172%0.72176%0.756SS**  trans-53.8121.9173.422-30.7000107.4V569P567-V569 PolarHBondContact O-N 2.92Å
568S37.3Very low35.8Very low111 Ų111125.5 Ų125.578%0.77675%0.75SS**  trans-44111171.446.40000108L566 P570L566-S568 PolarHBondContact O-N 3.34Å; S568-P570 VanDerWaalsContact O-N 3.15Å
569V35.7Very low36.5Very low115 Ų115125.8 Ų125.870%0.69775%0.746SS**  trans-53.7122.4171.91760000105.7P567 E571P567-V569 PolarHBondContact O-N 2.92Å; V569-E571 PolarHBondContact O-N 2.62Å
570P35.9Very low36.9Very low87 Ų87123.5 Ų123.557%0.56574%0.737SS**  trans-57.3126.3-175.519.3-29.8000109.3S568 S572S568-P570 VanDerWaalsContact O-N 3.15Å; P570-S572 PolarHBondContact O-N 2.94Å
571E43.9Very low37.4Very low197 Ų197120.4 Ų120.492%0.92173%0.73SS**THydrogen-bonded Turntrans-62.715.9179.9-72.6-177.2148.800113.9V569 F573V569-E571 PolarHBondContact O-N 2.62Å; E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 3.03Å
572S42Very low37.6Very low93 Ų93122.3 Ų122.365%0.6574%0.737SS**THydrogen-bonded Turntrans-83.32.9-173.550.20000115.1P570 A574P570-S572 PolarHBondContact O-N 2.94Å; S572-A574 PolarHBondContact O-N 2.99Å; S572-A574 VanDerWaalsContact O-N 3.1Å
573F38.8Very low37.9Very low176 Ų176126.8 Ų126.877%0.77274%0.738SS**  trans-85.973161.9-64-75000108.8E571 V575E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 3.03Å; F573-V575 VanDerWaalsContact C-N 3.29Å; F573-V575 PolarHBondContact O-N 2.92Å
574A38.1Very low38.2Very low91 Ų91127.3 Ų127.375%0.75274%0.74SS**  trans-56101.1158.700000107S572 A576S572-A574 PolarHBondContact O-N 2.99Å; S572-A574 VanDerWaalsContact O-N 3.1Å; A574-A576 PolarHBondContact O-N 2.8Å; A574-A576 VanDerWaalsContact O-N 3.12Å
575V38.3Very low38.4Very low117 Ų117127.4 Ų127.471%0.70975%0.745SS**  trans-54.2118.9169.5175.50000106.2F573 A579F573-V575 VanDerWaalsContact C-N 3.29Å; F573-V575 PolarHBondContact O-N 2.92Å; V575-A579 HydrophobicContact CG1-CB 4.19Å
576A36.3Very low38.6Very low73 Ų73125.4 Ų125.460%0.60374%0.743SS**  trans-50.5134.2-179.200000109.8A574 G578A574-A576 PolarHBondContact O-N 2.8Å; A574-A576 VanDerWaalsContact O-N 3.12Å; A576-G578 PolarHBondContact O-N 3.04Å
577P42.6Very low38.6Very low144 Ų144128.9 Ų128.994%0.93575%0.746SS**THydrogen-bonded Turntrans-62.8107.3175.145000107.6
578G34.7Very low38.8Very low64 Ų64129 Ų12966%0.6675%0.748SS**THydrogen-bonded Turntrans157.2-16.1-17600000114.7A576 S580A576-G578 PolarHBondContact O-N 3.04Å; G578-S580 VanDerWaalsContact C-N 3.34Å
579A41.4Very low38.8Very low71 Ų71130.7 Ų130.759%0.58775%0.747SS**G310 helixtrans-84.60.2178.100000114.7V575V575-A579 HydrophobicContact CG1-CB 4.19Å
580S39.7Very low38.9Very low104 Ų104131.9 Ų131.973%0.72775%0.748SS**G310 helixtrans-82.5-8.2-174.555.30000115.6G578G578-S580 VanDerWaalsContact C-N 3.34Å
581D40.8Very low38.9Very low133 Ų133133.8 Ų133.871%0.71175%0.753SS**G310 helixtrans-106.527.1-171.2-75.711.1000114Q583D581-Q583 PolarHBondContact O-N 3.05Å
582V40.3Very low38.3Very low129 Ų129127.9 Ų127.978%0.78274%0.738SS**  trans-7578.5161.3-169.30000107.3K584V582-K584 PolarHBondContact O-N 3.11Å; V582-K584 VanDerWaalsContact O-N 3.1Å
583Q36.2Very low38.1Very low168 Ų168128.9 Ų128.979%0.78574%0.742SS**  trans-43.8119.2165.5-74.7179.4-7.900107.4D581 L585D581-Q583 PolarHBondContact O-N 3.05Å; Q583-L585 PolarHBondContact O-N 3.16Å
584K37.4Very low38Very low186 Ų186128.4 Ų128.481%0.80975%0.748SS**  trans-52.3111.4168.3-66.4175.7-178.5177.10105.6V582 D586V582-K584 PolarHBondContact O-N 3.11Å; V582-K584 VanDerWaalsContact O-N 3.1Å; K584-D586 PolarHBondContact O-N 3.11Å
585L38.8Very low37.8Very low176 Ų176128.2 Ų128.292%0.92174%0.741SS**  trans-62.788.4166.1-95.4149.9000105.9Q583 R587Q583-L585 PolarHBondContact O-N 3.16Å; L585-R587 PolarHBondContact O-N 2.87Å
586D40.1Very low37.5Very low146 Ų146131.6 Ų131.678%0.78175%0.749SS**  trans-57.4109.3173.4-93.3-26.5000107.3K584K584-D586 PolarHBondContact O-N 3.11Å
587R33.4Very low37.8Very low214 Ų214135.5 Ų135.581%0.80876%0.759SS**  trans46.7123.2167.1-69.9178.6-177.5174.81.2116L585 L589L585-R587 PolarHBondContact O-N 2.87Å; R587-L589 PolarHBondContact O-N 2.84Å
588P42.6Very low37.6Very low115 Ų115133.8 Ų133.875%0.74775%0.75SS**  trans-59.5106.2165.726.8-31.4000108I590P588-I590 HydrophobicContact CB-CG1 4.16Å; P588-I590 PolarHBondContact O-N 3.11Å
589L38.5Very low37.3Very low145 Ų145133.5 Ų133.576%0.75975%0.748SS**  trans-71.382169.9-143.590.3000105.6R587 N591R587-L589 PolarHBondContact O-N 2.84Å; L589-N591 PolarHBondContact O-N 3.19Å
590I37.3Very low37.1Very low140 Ų140136 Ų13672%0.71876%0.758SS**  trans-73.372.4170.5-54.5170.7000106.2P588 A592P588-I590 HydrophobicContact CB-CG1 4.16Å; P588-I590 PolarHBondContact O-N 3.11Å; I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 2.84Å
591N35.5Very low37.5Very low128 Ų128136.8 Ų136.868%0.68476%0.761SS**  trans-89.685.6157.3-81.1-10.6000105.3L589 P593L589-N591 PolarHBondContact O-N 3.19Å; N591-P593 WeakPolarHBondContact O-CD 3.29Å
592A32.5Very low37.2Very low73 Ų73136.1 Ų136.160%0.60377%0.767SS**  trans-59.9114.1166.200000107.3I590 D594I590-A592 VanDerWaalsContact C-N 3.32Å; I590-A592 PolarHBondContact O-N 2.84Å; A592-D594 PolarHBondContact O-N 2.71Å
593P38.1Very low37.2Very low113 Ų113134.4 Ų134.473%0.73477%0.766SS**  trans-76.5105.716923.7-14.1000106.7N591 S595N591-P593 WeakPolarHBondContact O-CD 3.29Å; P593-S595 PolarHBondContact O-N 2.89Å
594D35.2Very low37.1Very low166 Ų166136 Ų13689%0.88877%0.773SS**  trans-60.982.7160.3-71.4-30.5000107.9A592A592-D594 PolarHBondContact O-N 2.71Å
595S34Very low36.9Very low88 Ų88129.9 Ų129.962%0.61576%0.763SS**  trans-137.9112173.7-157.70000110P593 L597P593-S595 PolarHBondContact O-N 2.89Å; S595-L597 PolarHBondContact O-N 3Å
596Q33.2Very low36.9Very low187 Ų187127.3 Ų127.387%0.87476%0.757SS**  trans-64.366.8176.6-60-172.7-7.400111.6S598Q596-S598 PolarHBondContact O-N 2.68Å
597L42Very low36.8Very low156 Ų156128.1 Ų128.182%0.81776%0.761SS**  trans-79.177.5165.1-71.2174000108.9S595S595-L597 PolarHBondContact O-N 3Å
598S37.2Very low37.1Very low107 Ų107124 Ų12475%0.74876%0.76SS**  trans-26.1125.7140.5510000113Q596Q596-S598 PolarHBondContact O-N 2.68Å
599G29.6Very low37.3Very low59 Ų59123.6 Ų123.661%0.60876%0.757SS**  trans111.4103.5158.400000114.3P601G599-P601 WeakPolarHBondContact O-CD 3.36Å
600P37.7Very low37.8Very low123 Ų123121.6 Ų121.680%0.79976%0.755SS**  trans-68.7127.2169.628.3-30.9000109.6S602P600-S602 PolarHBondContact O-N 2.95Å
601P47.1Very low38.1Very low121 Ų121122.7 Ų122.779%0.78676%0.759SS**  trans-69.6114.5164.927-28.1000107.8G599 A603G599-P601 WeakPolarHBondContact O-CD 3.36Å; P601-A603 VanDerWaalsContact C-N 3.34Å; P601-A603 PolarHBondContact O-N 2.77Å
602S35.6Very low38.6Very low119 Ų119125.3 Ų125.383%0.83276%0.764SS**  trans-5190.7169.3-67.60000111.3P600P600-S602 PolarHBondContact O-N 2.95Å
603A40.3Very low39.4Very low93 Ų93132.4 Ų132.477%0.76978%0.777SS**  trans-98.396160.600000106.9P601 G605P601-A603 VanDerWaalsContact C-N 3.34Å; P601-A603 PolarHBondContact O-N 2.77Å; A603-G605 PolarHBondContact O-N 2.95Å
604Q32.3Very low40Very low200 Ų200134.5 Ų134.594%0.93578%0.777SS**  trans-61.483170-71.2168.8-43.600109.2
605G33.7Very low40.6Very low58 Ų58133.6 Ų133.660%0.59877%0.773SS**  trans-87.7138.8159.200000108.6A603A603-G605 PolarHBondContact O-N 2.95Å
606P38.3Very low41Very low122 Ų122140 Ų14079%0.79279%0.785SS**  trans-62140.6-168.427.5-34.2000111V608P606-V608 PolarHBondContact O-N 2.96Å
607D39.4Very low42Very low163 Ų163138.4 Ų138.487%0.87278%0.781SS**  trans-30.689.7176.7-71.7-45000113.3P609D607-P609 VanDerWaalsContact O-CD 3.29Å; D607-P609 WeakPolarHBondContact O-CD 3.31Å
608V39.9Very low42.4Very low129 Ų129136.1 Ų136.178%0.78278%0.776SS**  trans-77.7113.9155.4-179.80000104P606 S610P606-V608 PolarHBondContact O-N 2.96Å; V608-S610 PolarHBondContact O-N 3.35Å
609P47.2Very low43.2Very low106 Ų106136.4 Ų136.469%0.68878%0.775SS**  trans-57.6109.2175.2-16.729.4000106.2D607 M611D607-P609 VanDerWaalsContact O-CD 3.29Å; D607-P609 WeakPolarHBondContact O-CD 3.31Å; P609-M611 PolarHBondContact O-N 2.82Å
610S47.4Very low44Very low103 Ų103139 Ų13972%0.7278%0.782SS**  trans-6394.6166.352.10000105V608 K612V608-S610 PolarHBondContact O-N 3.35Å; S610-K612 PolarHBondContact O-N 2.83Å
611M43.6Very low44.3Very low163 Ų163139 Ų13980%0.80378%0.782SS**  trans-56.597.2163.4-74-74.7-69.900103.7P609 Y613P609-M611 PolarHBondContact O-N 2.82Å; M611-Y613 PolarHBondContact O-N 3.07Å
612K46.9Very low43.9Very low182 Ų182138.1 Ų138.179%0.79178%0.778SS**  trans-49.4118.2172.9-69.1-174.7-180-179.50103.9S610 E614S610-K612 PolarHBondContact O-N 2.83Å; K612-E614 PolarHBondContact O-N 3.45Å
613Y48.4Very low44.4Very low223 Ų223137.8 Ų137.888%0.87577%0.773SS**  trans-59.991.6163.4-78.3-91.9000103.9M611 N615M611-Y613 PolarHBondContact O-N 3.07Å; Y613-N615 VanDerWaalsContact C-N 3.29Å; Y613-N615 PolarHBondContact O-N 3.31Å
614E50.3Low44.5Very low156 Ų156141.9 Ų141.973%0.72978%0.776SS**  trans-54.5109.2164-73.9-170166.400103.3K612 Y616K612-E614 PolarHBondContact O-N 3.45Å; E614-Y616 VanDerWaalsContact C-N 3.25Å; E614-Y616 WeakPolarHBondContact O-CD2 3.29Å; E614-Y616 PolarHBondContact O-N 2.77Å
615N48.2Very low44.6Very low148 Ų148138.1 Ų138.179%0.79177%0.77SS**  trans-52103.4170.5-89.9-35.3000105Y613 L617Y613-N615 VanDerWaalsContact C-N 3.29Å; Y613-N615 PolarHBondContact O-N 3.31Å; N615-L617 PolarHBondContact O-N 2.72Å
616Y42.9Very low44.8Very low222 Ų222141 Ų14187%0.87178%0.781SS**  trans-61.790.7172.5-77.3-87.2000105.7E614E614-Y616 VanDerWaalsContact C-N 3.25Å; E614-Y616 WeakPolarHBondContact O-CD2 3.29Å; E614-Y616 PolarHBondContact O-N 2.77Å
617L53.6Low44.6Very low153 Ų153137.2 Ų137.280%0.80177%0.765SS**PPolyproline II helixtrans-59.6127.9165-77.9167000105.3N615N615-L617 PolarHBondContact O-N 2.72Å
618P51.8Low44.4Very low108 Ų108134.9 Ų134.970%0.70176%0.762SS**PPolyproline II helixtrans-53.3140.2175.721.7-31000108.4
619P53.6Low44Very low114 Ų114137.3 Ų137.374%0.7476%0.762SS**PPolyproline II helixtrans-53.6137-176.721.2-32000109.5
620P45.2Very low43.7Very low114 Ų114138 Ų13874%0.7477%0.766SS**PPolyproline II helixtrans-56.3140177.323.2-32000109.1S622P620-S622 PolarHBondContact O-N 2.94Å; P620-S622 VanDerWaalsContact O-N 3.12Å
621P44.5Very low43.2Very low123 Ų123139.6 Ų139.680%0.79977%0.771SS**PPolyproline II helixtrans-54.8124.2177.522.7-31.6000108.3
622S39.3Very low42.9Very low101 Ų101139.9 Ų139.971%0.70677%0.771SS**PPolyproline II helixtrans-54.8131.9179.357.30000108.4P620 E624P620-S622 PolarHBondContact O-N 2.94Å; P620-S622 VanDerWaalsContact O-N 3.12Å; S622-E624 PolarHBondContact O-N 3.11Å; S622-E624 VanDerWaalsContact O-N 3.1Å
623P44.7Very low42.5Very low112 Ų112140.4 Ų140.473%0.72778%0.776SS**PPolyproline II helixtrans-53.5125179.920.9-30.8000108.1C625P623-C625 VanDerWaalsContact C-N 3.3Å; P623-C625 PolarHBondContact O-N 2.84Å
624E43.4Very low41.9Very low180 Ų180135.2 Ų135.284%0.84177%0.773SS**  trans-49.3101.6172.2-65.6179.1178.700106.7S622 S626S622-E624 PolarHBondContact O-N 3.11Å; S622-E624 VanDerWaalsContact O-N 3.1Å; E624-S626 PolarHBondContact O-N 2.97Å; E624-S626 PolarHBondContact O-OG 3.22Å
625C34.4Very low40.9Very low120 Ų120131.2 Ų131.281%0.81177%0.773SS**  trans-69.679.7169.8-86.20000106.1P623 G627P623-C625 VanDerWaalsContact C-N 3.3Å; P623-C625 PolarHBondContact O-N 2.84Å; C625-G627 PolarHBondContact O-N 3.36Å
626S37.2Very low40Very low118 Ų118135.8 Ų135.883%0.82578%0.779SS**  trans-66.344.5153.151.30000109.6E624E624-S626 PolarHBondContact O-N 2.97Å; E624-S626 PolarHBondContact O-OG 3.22Å
627G34.2Very low39.8Very low44 Ų44133.5 Ų133.545%0.45478%0.781SS.*  trans-96.891.7163.200000105.7C625 F629C625-G627 PolarHBondContact O-N 3.36Å; G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.14Å
628S34.7Very low39Very low114 Ų114130.4 Ų130.480%0.79778%0.778SS**  trans-49.2101.4160.150.30000107.6P630S628-P630 VanDerWaalsContact O-CD 3.22Å; S628-P630 WeakPolarHBondContact O-CD 3.36Å
629F33.1Very low38.2Very low179 Ų179131.2 Ų131.279%0.78579%0.786SS**  trans-64.4120.4168.6-86.7-89.5000106.5G627 V631G627-F629 VanDerWaalsContact C-N 3.31Å; G627-F629 PolarHBondContact O-N 3.14Å; F629-V631 VanDerWaalsContact C-N 3.34Å; F629-V631 PolarHBondContact O-N 3.45Å
630P39.8Very low37.4Very low121 Ų121130.6 Ų130.679%0.78678%0.784SS**  trans-65.9100.7169.525.5-29.4000107.7S628 E632S628-P630 VanDerWaalsContact O-CD 3.22Å; S628-P630 WeakPolarHBondContact O-CD 3.36Å; P630-E632 PolarHBondContact O-N 2.96Å
631V36.9Very low36.9Very low136 Ų136136.6 Ų136.682%0.82479%0.794SS**  trans-73.667.7172.7-178.10000108.1F629F629-V631 VanDerWaalsContact C-N 3.34Å; F629-V631 PolarHBondContact O-N 3.45Å
632E38.6Very low36.7Very low169 Ų169136 Ų13679%0.7979%0.792SS**  trans-155.878.6165.1-78.4-144.9-169.700110.2P630P630-E632 PolarHBondContact O-N 2.96Å
633Q37.5Very low36.3Very low193 Ų193134 Ų13490%0.90279%0.788SS**  trans-139.773148.6-72.5-161.2-13.900109.1
634S35.8Very low36Very low115 Ų115140.3 Ų140.380%0.80480%0.797SS**  trans-59.9128.7150.4470000108.6
635G29Very low36Very low71 Ų71139 Ų13973%0.73280%0.795SS**  trans81.275.3159.800000116.7
636R29.6Very low36.5Very low245 Ų245138.8 Ų138.893%0.92579%0.792SS**  trans-153.598.7138.5-105.2162.2-157.1-1014.5109.5
637L39.2Very low36.7Very low173 Ų173139 Ų13991%0.90679%0.794SS**  trans-48.7144.2161.1-67.8160.2000110.2
638A35.9Very low37.1Very low89 Ų89141.8 Ų141.874%0.73681%0.806SS**  trans62.566.915800000116.9S640A638-S640 VanDerWaalsContact C-N 3.27Å; A638-S640 PolarHBondContact O-N 3.05Å; A638-S640 VanDerWaalsContact O-N 3.11Å
639S36.6Very low37Very low125 Ų125144.5 Ų144.587%0.87481%0.808SS**  trans-73.994.6144.9-79.10000108.1Y641S639-Y641 PolarHBondContact O-N 2.87Å
640S35.5Very low37.4Very low100 Ų100141.7 Ų141.770%0.69981%0.808SS**  trans-28.3122.8168.7-530000113.4A638 S642A638-S640 VanDerWaalsContact C-N 3.27Å; A638-S640 PolarHBondContact O-N 3.05Å; A638-S640 VanDerWaalsContact O-N 3.11Å; S640-S642 PolarHBondContact O-N 3.16Å
641Y34.5Very low37.4Very low241 Ų241142.5 Ų142.595%0.94581%0.81SS**  trans-54.199158.6-108.5-105.1000108.3S639S639-Y641 PolarHBondContact O-N 2.87Å
642S39.9Very low37.5Very low109 Ų109139 Ų13976%0.76280%0.802SS**  trans-110.140.6165.181.50000110.3S640 R644S640-S642 PolarHBondContact O-N 3.16Å; S642-R644 PolarHBondContact O-N 2.76Å
643G32Very low37.5Very low60 Ų60140 Ų14062%0.61981%0.806SS**  trans-79.995.1163.500000107.7L645G643-L645 PolarHBondContact O-N 3.45Å
644R37.8Very low37.5Very low244 Ų244133.9 Ų133.992%0.92180%0.795SS**  trans-48.4110171.9-71.1179.3174.8-132.10.2108.4S642S642-R644 PolarHBondContact O-N 2.76Å
645L43.6Very low37.8Very low154 Ų154135.4 Ų135.481%0.80679%0.793SS**  trans-56.4134.5163.9-74.6166.7000107G643 S647G643-L645 PolarHBondContact O-N 3.45Å; L645-S647 PolarHBondContact O-N 2.91Å
646P44Very low38.2Very low115 Ų115139.9 Ų139.975%0.74780%0.8SS**  trans-55.4109.5177.220.5-30000108.9S648P646-S648 PolarHBondContact O-N 3.06Å
647S42.6Very low38.8Very low122 Ų122135.8 Ų135.885%0.85379%0.791SS**SBendtrans-7569.7177.556.70000109.5L645L645-S647 PolarHBondContact O-N 2.91Å
648S41.7Very low38.7Very low102 Ų102131.2 Ų131.271%0.71379%0.786SS**  trans-176.164166.360.10000109.9P646P646-S648 PolarHBondContact O-N 3.06Å
649M32.3Very low38.6Very low172 Ų172141.3 Ų141.385%0.84781%0.807SS**  trans-85.6120.2149.5-117.517644.900105.4V651M649-V651 PolarHBondContact O-N 2.91Å
650P42.2Very low38.7Very low119 Ų119142.1 Ų142.177%0.77380%0.804SS**  trans-57.9113178.423.7-31.3000107.5G652P650-G652 VanDerWaalsContact C-N 3.31Å; P650-G652 PolarHBondContact O-N 2.92Å
651V40.7Very low38.9Very low139 Ų139144.3 Ų144.384%0.84281%0.809SS**  trans-60.9105.4164.9175.60000104.1M649 E653M649-V651 PolarHBondContact O-N 2.91Å; V651-E653 PolarHBondContact O-N 3.2Å
652G38.9Very low39.1Very low62 Ų62138.9 Ų138.964%0.63980%0.802SS**  trans-49125176.700000108.2P650 G654P650-G652 VanDerWaalsContact C-N 3.31Å; P650-G652 PolarHBondContact O-N 2.92Å; G652-G654 PolarHBondContact O-N 3.01Å
653E37.7Very low39.1Very low189 Ų189140.7 Ų140.788%0.88380%0.804SS**  trans-43.9110.5172.6-91.2160.7138.400108.6V651 I655V651-E653 PolarHBondContact O-N 3.2Å; E653-I655 PolarHBondContact O-N 3.27Å; E653-I655 VanDerWaalsContact O-N 3.11Å
654G38.8Very low39.5Very low65 Ų65145.8 Ų145.867%0.6782%0.816SS**  trans-56.1117.416600000106.8G652 N656G652-G654 PolarHBondContact O-N 3.01Å; G654-N656 VanDerWaalsContact C-N 3.29Å; G654-N656 PolarHBondContact O-N 3.43Å
655I41.2Very low39.7Very low147 Ų147139.2 Ų139.275%0.75481%0.809SS**  trans-6198.4172.4-38.1169.5000104.9E653 E657E653-I655 PolarHBondContact O-N 3.27Å; E653-I655 VanDerWaalsContact O-N 3.11Å; I655-E657 HydrophobicContact CG2-CG 4.13Å; I655-E657 PolarHBondContact O-N 3.15Å
656N38Very low39.4Very low166 Ų166138.1 Ų138.189%0.88881%0.809SS**  trans-67.483.1166-94.2-31.1000106.8G654 G658G654-N656 VanDerWaalsContact C-N 3.29Å; G654-N656 PolarHBondContact O-N 3.43Å; N656-G658 PolarHBondContact O-N 3.45Å
657E40.6Very low39Very low158 Ų158139.9 Ų139.974%0.73881%0.813SS**  trans-76.8102.2157.7-75.3-173.7172.600107I655 Y659I655-E657 HydrophobicContact CG2-CG 4.13Å; I655-E657 PolarHBondContact O-N 3.15Å; E657-Y659 PolarHBondContact O-N 3.43Å
658G38.6Very low38.7Very low77 Ų77141.4 Ų141.479%0.79481%0.81SS**  trans-59.3125.9174.600000111N656N656-G658 PolarHBondContact O-N 3.45Å
659Y34Very low38.5Very low301 Ų301145 Ų145100%1.1882%0.819SS**  trans-95.50151.3-82.8-87.5000109.4E657E657-Y659 PolarHBondContact O-N 3.43Å

Retrieved 659 of 659 residues in 178.2 ms (Link to these results)