A0A5K4F3K8_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 845 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
1M38.4Very low39Very low245 Ų245158.2 Ų158.2100%1.20783%0.833SS**  087.70-56.4-160.293.200106
2S31.9Very low38.9Very low118 Ų118153.9 Ų153.983%0.82584%0.837SS**  trans-172.5164.3-159.2-130.90000111.9
3S42.8Very low38.8Very low107 Ų107152 Ų15275%0.74883%0.826SS**  trans-17.7156168-48.40000119.6
4P46.6Very low39Very low112 Ų112151.2 Ų151.273%0.72783%0.828SS**  -148.4139.3111.627.8-6.4000114.6
5E35.6Very low39.3Very low190 Ų190151.9 Ų151.989%0.88882%0.819SS**  51.6107.895.6-73.7-168.817100116.3
6I41.4Very low39.4Very low166 Ų166147.3 Ų147.385%0.85181%0.808SS**  trans-130.5104.6158.4-61.2176.9000108.3
7S35Very low39.6Very low85 Ų85151.7 Ų151.759%0.59481%0.812SS**  trans-69.1153.3167.165.30000111.5
8F39.5Very low39.9Very low178 Ų178151.3 Ų151.378%0.78180%0.804SS**  -170119.6122.7-92.5-64.9000112.1
9R39.3Very low40.2Very low220 Ų220151.9 Ų151.983%0.8381%0.808SS**  trans70.896.6144-77.3173.7177.4-167.7-0.8120.7
10N38.2Very low40.5Very low154 Ų154148.2 Ų148.282%0.82479%0.788SS**  15.9109.3119.1-64.1-12.8000116.5
11N40.6Very low40.8Very low165 Ų165148.7 Ų148.788%0.88279%0.789SS**  trans-152.2126.3132.9-97-19.9000109.4N13N11-N13 PolarHBondContact O-N 3.01Å
12A37.5Very low40.9Very low107 Ų107145.6 Ų145.688%0.88477%0.769SS**  trans-56.2102.9177.400000110.7
13N38Very low41.8Very low129 Ų129145.6 Ų145.669%0.6977%0.766SS**  trans-15668.6157.9-148-25.4000108.5N11 K15N11-N13 PolarHBondContact O-N 3.01Å; N13-K15 PolarHBondContact O-N 2.87Å
14V40.6Very low42.2Very low141 Ų141149.5 Ų149.586%0.85577%0.765SS**  trans-67.788.2161.3179.80000105.3A16V14-A16 VanDerWaalsContact C-N 3.34Å; V14-A16 PolarHBondContact O-N 2.97Å
15K44.1Very low42.5Very low162 Ų162153.8 Ų153.870%0.70477%0.772SS**  trans-57.5107.3160.6-82.2-177176178.90105.4N13 Y17N13-K15 PolarHBondContact O-N 2.87Å; K15-Y17 PolarHBondContact O-N 2.98Å
16A41.7Very low43.1Very low78 Ų78150 Ų15065%0.64577%0.766SS**  trans-48.3112.7162.500000106.7V14 H18V14-A16 VanDerWaalsContact C-N 3.34Å; V14-A16 PolarHBondContact O-N 2.97Å; A16-H18 VanDerWaalsContact C-N 3.3Å; A16-H18 PolarHBondContact O-N 2.94Å
17Y42.3Very low44Very low222 Ų222152.1 Ų152.187%0.87177%0.768SS**  trans-60.7105.2164-84.3-91.6000105.2K15 D19K15-Y17 PolarHBondContact O-N 2.98Å; Y17-D19 PolarHBondContact O-N 2.82Å; Y17-D19 VanDerWaalsContact O-N 3.08Å
18H44.7Very low45.4Very low144 Ų144151.6 Ų151.667%0.66776%0.762SS**  trans-63.9107.1178-121.1-89.7000107.2A16 D20A16-H18 VanDerWaalsContact C-N 3.3Å; A16-H18 PolarHBondContact O-N 2.94Å; H18-D20 IonicContact CE1-OD2 3.09Å; H18-D20 PolarHBondContact CE1-OD2 3.08Å; H18-D20 IonicContact CG-OD2 2.73Å; H18-D20 IonicContact ND1-OD2 2.66Å; H18-D20 PolarHBondContact ND1-OD2 2.66Å; H18-D20 PolarHBondContact O-N 3.09Å
19D45.3Very low47.1Very low163 Ų163145.9 Ų145.987%0.87274%0.743SS**  trans-67.346.5167.1-76.4-34.2000111.7Y17Y17-D19 PolarHBondContact O-N 2.82Å; Y17-D19 VanDerWaalsContact O-N 3.08Å
20D45.8Very low49Very low77 Ų77139.1 Ų139.141%0.41273%0.73SS.*  trans-111.316.3179.6-87-42.2000113H18 F22 R24H18-D20 IonicContact CE1-OD2 3.09Å; H18-D20 PolarHBondContact CE1-OD2 3.08Å; H18-D20 IonicContact CG-OD2 2.73Å; H18-D20 IonicContact ND1-OD2 2.66Å; H18-D20 PolarHBondContact ND1-OD2 2.66Å; H18-D20 PolarHBondContact O-N 3.09Å; D20-F22 PolarHBondContact O-N 3.46Å; D20-R24 IonicContact OD1-CZ 3.67Å; D20-R24 IonicContact OD1-NE 2.65Å; D20-R24 IonicContact OD1-NH2 2.82Å; D20-R24 PolarHBondContact OD1-NH2 3.25Å; D20-R24 IonicContact OD2-NH2 3.76Å
21I47.2Very low50.9Low160 Ų160139 Ų13982%0.82172%0.722SS**  trans-88.544170.8-43179.8000111
22F41.8Very low53Low180 Ų180135.1 Ų135.179%0.78970%0.701SS**SBendtrans-129.8121.5160.4-100.4-87.9000107.7D20 R24D20-F22 PolarHBondContact O-N 3.46Å; F22-R24 PolarHBondContact O-N 2.82Å
23P50.2Low55.2Low117 Ų117134.8 Ų134.876%0.7668%0.683SS**  trans-61.7105.117824.9-30.5000107.4K25P23-K25 PolarHBondContact O-N 3.49Å
24R49.7Very low57.5Low189 Ų189133.4 Ų133.471%0.71368%0.675SS**  trans-50.8118.6174.5-68-176.1-169.3-172.54.2106.4D20 F22 C26D20-R24 IonicContact OD1-CZ 3.67Å; D20-R24 IonicContact OD1-NE 2.65Å; D20-R24 IonicContact OD1-NH2 2.82Å; D20-R24 PolarHBondContact OD1-NH2 3.25Å; D20-R24 IonicContact OD2-NH2 3.76Å; F22-R24 PolarHBondContact O-N 2.82Å; R24-C26 PolarHBondContact O-N 3.19Å; R24-C26 PolarHBondContact O-SG 2.81Å
25K53.1Low59.8Low203 Ų203133.3 Ų133.388%0.88366%0.663SS**  trans-40.399.4-178.3-64.6179.6-179.6178.90109.3P23 K27P23-K25 PolarHBondContact O-N 3.49Å; K25-K27 PolarHBondContact O-N 3.47Å
26C49.6Very low61.9Low111 Ų111131.1 Ų131.175%0.7566%0.655SS**  trans-63.7104.6177.4-62.20000106R24 V28R24-C26 PolarHBondContact O-N 3.19Å; R24-C26 PolarHBondContact O-SG 2.81Å; C26-V28 PolarHBondContact O-N 2.77Å
27K60.3Low64.2Low209 Ų209134.3 Ų134.391%0.90966%0.657SS**  trans-65.183.4170-74.9-178.9177.4178.20107K25 S29K25-K27 PolarHBondContact O-N 3.47Å; K27-S29 PolarHBondContact O-N 3.31Å
28V63Low66.5Low75 Ų75127.3 Ų127.346%0.45563%0.634SS.*  trans-62.9110.6168.5-178.80000105.4C26 S30 I32 L33C26-V28 PolarHBondContact O-N 2.77Å; V28-S30 PolarHBondContact O-N 3.2Å; V28-I32 HydrophobicContact CG1-CB 3.84Å; V28-I32 HydrophobicContact CG1-CD1 4.31Å; V28-I32 HydrophobicContact CG1-CG2 3.89Å; V28-L33 HydrophobicContact CG1-CD2 4.36Å; V28-L33 HydrophobicContact CG1-CG 4.07Å
29S75.2Confident68.6Low57 Ų57124.2 Ų124.240%0.39962%0.622SS.*  trans-53.1135.9178.9-179.70000109K27 K31 I32 L33K27-S29 PolarHBondContact O-N 3.31Å; S29-K31 PolarHBondContact O-N 3.22Å; S29-I32 WeakPolarHBondContact O-CB 3.24Å; S29-I32 PolarHBondContact O-N 2.75Å; S29-L33 PolarHBondContact O-N 3.42Å
30S79.4Confident70.6Confident79 Ų79118.8 Ų118.855%0.55260%0.6SS**Hα-helixtrans-48.7-31.6173.848.60000112.2V28 I32 L33 I34V28-S30 PolarHBondContact O-N 3.2Å; S30-I32 VanDerWaalsContact C-N 3.31Å; S30-I32 PolarHBondContact O-N 2.9Å; S30-L33 PolarHBondContact O-N 3.35Å; S30-I34 WeakPolarHBondContact O-CB 3.25Å; S30-I34 WeakPolarHBondContact O-CD1 3.28Å; S30-I34 VanDerWaalsContact O-CG1 3.22Å; S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 3.28Å
31K79.2Confident72.7Confident151 Ų151119.9 Ų119.966%0.65760%0.602SS**Hα-helixtrans-58.5-36.9173.6-64.6-174.7177.8-177.10113.5S29 K35S29-K31 PolarHBondContact O-N 3.22Å; K31-K35 VanDerWaalsContact O-CB 3.25Å; K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 3.07Å
32I83.3Confident74.6Confident84 Ų84118.3 Ų118.343%0.43159%0.587SS.*Hα-helixtrans-72.4-44179.3-63169.3000110.2V28 S29 S30 K35 Q36V28-I32 HydrophobicContact CG1-CB 3.84Å; V28-I32 HydrophobicContact CG1-CD1 4.31Å; V28-I32 HydrophobicContact CG1-CG2 3.89Å; S29-I32 WeakPolarHBondContact O-CB 3.24Å; S29-I32 PolarHBondContact O-N 2.75Å; S30-I32 VanDerWaalsContact C-N 3.31Å; S30-I32 PolarHBondContact O-N 2.9Å; I32-K35 PolarHBondContact O-N 3.02Å; I32-Q36 HydrophobicContact CG2-CG 4.44Å; I32-Q36 WeakPolarHBondContact O-CB 3.47Å; I32-Q36 WeakPolarHBondContact O-CG 3.43Å; I32-Q36 PolarHBondContact O-N 3.03Å
33L84.5Confident76.6Confident99 Ų99118.5 Ų118.552%0.51858%0.583SS.*Hα-helixtrans-63-45.1177.5-69.9171.4000111.5V28 S29 S30 K35 Q36 H37V28-L33 HydrophobicContact CG1-CD2 4.36Å; V28-L33 HydrophobicContact CG1-CG 4.07Å; S29-L33 PolarHBondContact O-N 3.42Å; S30-L33 PolarHBondContact O-N 3.35Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.31Å; L33-Q36 PolarHBondContact O-N 3.47Å; L33-H37 WeakPolarHBondContact O-CB 3.39Å; L33-H37 PolarHBondContact O-N 2.85Å
34I86.9Confident78.2Confident101 Ų101118 Ų11852%0.51857%0.573SS.*Hα-helixtrans-60.4-44.8175.6-66.5164.3000110.3S30 Q36 H37 L38S30-I34 WeakPolarHBondContact O-CB 3.25Å; S30-I34 WeakPolarHBondContact O-CD1 3.28Å; S30-I34 VanDerWaalsContact O-CG1 3.22Å; S30-I34 WeakPolarHBondContact O-CG1 3.35Å; S30-I34 PolarHBondContact O-N 3.28Å; I34-Q36 PolarHBondContact O-N 3.28Å; I34-H37 PolarHBondContact O-N 3.32Å; I34-L38 HydrophobicContact CG2-CD1 3.92Å; I34-L38 HydrophobicContact CG2-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.05Å; I34-L38 PolarHBondContact O-N 3.49Å
35K87.9Confident79.7Confident139 Ų139113.4 Ų113.460%0.60456%0.562SS**Hα-helixtrans-64.5-39.2178.1-170173.3-177178.60112.4K31 I32 L33 N39K31-K35 VanDerWaalsContact O-CB 3.25Å; K31-K35 WeakPolarHBondContact O-CB 3.35Å; K31-K35 PolarHBondContact O-N 3.07Å; I32-K35 PolarHBondContact O-N 3.02Å; L33-K35 VanDerWaalsContact C-N 3.33Å; L33-K35 PolarHBondContact O-N 3.31Å; K35-N39 VanDerWaalsContact O-CB 3.28Å; K35-N39 WeakPolarHBondContact O-CB 3.44Å; K35-N39 PolarHBondContact O-N 3.28Å; K35-N39 PolarHBondContact O-ND2 3Å
36Q88.4Confident80.9Confident116 Ų116111 Ų11154%0.54255%0.554SS.*Hα-helixtrans-64.5-43.2174.9-76.6176.4-18.700111.6I32 L33 I34 N39 A40I32-Q36 HydrophobicContact CG2-CG 4.44Å; I32-Q36 WeakPolarHBondContact O-CB 3.47Å; I32-Q36 WeakPolarHBondContact O-CG 3.43Å; I32-Q36 PolarHBondContact O-N 3.03Å; L33-Q36 PolarHBondContact O-N 3.47Å; I34-Q36 PolarHBondContact O-N 3.28Å; Q36-N39 PolarHBondContact O-N 3.36Å; Q36-A40 PolarHBondContact O-N 3.04Å
37H90.1Very high82.2Confident144 Ų144109.9 Ų109.967%0.66755%0.547SS*.Hα-helixtrans-66.4-45178.6-165.678.1000112.1L33 I34 N39 A40 H41L33-H37 WeakPolarHBondContact O-CB 3.39Å; L33-H37 PolarHBondContact O-N 2.85Å; I34-H37 PolarHBondContact O-N 3.32Å; H37-N39 PolarHBondContact O-N 2.8Å; H37-A40 PolarHBondContact O-N 3.27Å; H37-H41 PolarHBondContact O-N 2.96Å
38L91.6Very high82.7Confident76 Ų76105.1 Ų105.140%0.39854%0.535SS..Hα-helixtrans-60.6-44.1174.4-74.3173.5000111.7I34 A40 H41 Y42I34-L38 HydrophobicContact CG2-CD1 3.92Å; I34-L38 HydrophobicContact CG2-CG 4.37Å; I34-L38 WeakPolarHBondContact O-CB 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.05Å; I34-L38 PolarHBondContact O-N 3.49Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.43Å; L38-H41 PolarHBondContact O-N 3Å; L38-Y42 HydrophobicContact CB-CD2 4.43Å; L38-Y42 HydrophobicContact CB-CE2 4.21Å; L38-Y42 WeakPolarHBondContact O-CD2 3.37Å; L38-Y42 PolarHBondContact O-N 3.32Å
39N88.3Confident82.5Confident79 Ų79110.9 Ų110.942%0.42256%0.555SS.*Hα-helixtrans-61.5-38.7176.8-77.6-18.2000112.4K35 Q36 H37 R43K35-N39 VanDerWaalsContact O-CB 3.28Å; K35-N39 WeakPolarHBondContact O-CB 3.44Å; K35-N39 PolarHBondContact O-N 3.28Å; K35-N39 PolarHBondContact O-ND2 3Å; Q36-N39 PolarHBondContact O-N 3.36Å; H37-N39 PolarHBondContact O-N 2.8Å; N39-R43 WeakPolarHBondContact O-CG 3.45Å; N39-R43 PolarHBondContact O-N 3.05Å; N39-R43 VanDerWaalsContact O-N 3.13Å
40A88Confident81.7Confident49 Ų49112.4 Ų112.441%0.40557%0.571SS.*Hα-helixtrans-66.9-42.1175.200000111.8Q36 H37 L38 R43 N44Q36-A40 PolarHBondContact O-N 3.04Å; H37-A40 PolarHBondContact O-N 3.27Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.43Å; A40-R43 PolarHBondContact O-N 3.14Å; A40-N44 PolarHBondContact O-N 3.4Å
41H89.1Confident80.7Confident99 Ų99118 Ų11846%0.45858%0.581SS.*Hα-helixtrans-61.5-46.3176.2-178.168.7000112.3H37 L38 R43 N44 I45H37-H41 PolarHBondContact O-N 2.96Å; L38-H41 PolarHBondContact O-N 3Å; H41-R43 VanDerWaalsContact C-N 3.32Å; H41-R43 PolarHBondContact O-N 3.3Å; H41-N44 PolarHBondContact O-N 3.13Å; H41-N44 VanDerWaalsContact O-N 3.14Å; H41-I45 WeakPolarHBondContact NE2-CD1 3.46Å; H41-I45 PolarHBondContact O-N 2.9Å
42Y86.9Confident79.7Confident127 Ų127115.6 Ų115.650%0.49858%0.579SS.*Hα-helixtrans-63.8-35.5176.6-72.4-58000112.9L38 N44 I45 Q46L38-Y42 HydrophobicContact CB-CD2 4.43Å; L38-Y42 HydrophobicContact CB-CE2 4.21Å; L38-Y42 WeakPolarHBondContact O-CD2 3.37Å; L38-Y42 PolarHBondContact O-N 3.32Å; Y42-N44 VanDerWaalsContact C-N 3.35Å; Y42-I45 PolarHBondContact O-N 3.41Å; Y42-Q46 WeakPolarHBondContact O-CB 3.22Å; Y42-Q46 VanDerWaalsContact O-CG 3.28Å; Y42-Q46 WeakPolarHBondContact O-CG 3.48Å; Y42-Q46 PolarHBondContact O-N 2.9Å
43R84.8Confident78.7Confident184 Ų184116.1 Ų116.169%0.69458%0.582SS**Hα-helixtrans-63.8-39.9172.7-74.3-174.8-154.3-167.26.2112N39 A40 H41 Q46 S47N39-R43 WeakPolarHBondContact O-CG 3.45Å; N39-R43 PolarHBondContact O-N 3.05Å; N39-R43 VanDerWaalsContact O-N 3.13Å; A40-R43 PolarHBondContact O-N 3.14Å; H41-R43 VanDerWaalsContact C-N 3.32Å; H41-R43 PolarHBondContact O-N 3.3Å; R43-Q46 PolarHBondContact O-N 2.96Å; R43-S47 WeakPolarHBondContact O-CB 3.22Å; R43-S47 PolarHBondContact O-N 3.23Å; R43-S47 PolarHBondContact O-OG 3.46Å
44N82.7Confident77.9Confident106 Ų106118.2 Ų118.257%0.56759%0.594SS**Hα-helixtrans-67.3-40.6176.4-75.4-9.1000112A40 H41 Y42 Q46 S47 V48A40-N44 PolarHBondContact O-N 3.4Å; H41-N44 PolarHBondContact O-N 3.13Å; H41-N44 VanDerWaalsContact O-N 3.14Å; Y42-N44 VanDerWaalsContact C-N 3.35Å; N44-Q46 VanDerWaalsContact C-N 3.34Å; N44-Q46 PolarHBondContact O-N 3.39Å; N44-S47 PolarHBondContact O-N 3.02Å; N44-S47 PolarHBondContact O-OG 3.42Å; N44-V48 VanDerWaalsContact O-CG2 3.31Å; N44-V48 WeakPolarHBondContact O-CG2 3.38Å; N44-V48 PolarHBondContact O-N 2.97Å
45I81.9Confident77.4Confident94 Ų94118 Ų11848%0.48260%0.598SS.*Hα-helixtrans-63.9-41.6175-68.3172.3000110.9H41 Y42 V48H41-I45 WeakPolarHBondContact NE2-CD1 3.46Å; H41-I45 PolarHBondContact O-N 2.9Å; Y42-I45 PolarHBondContact O-N 3.41Å; I45-V48 PolarHBondContact O-N 3.23Å
46Q77.6Confident76.7Confident153 Ų153114.5 Ų114.572%0.71560%0.595SS**Hα-helixtrans-72.6-28.5179.6-72.3175.11300113.3Y42 R43 N44Y42-Q46 WeakPolarHBondContact O-CB 3.22Å; Y42-Q46 VanDerWaalsContact O-CG 3.28Å; Y42-Q46 WeakPolarHBondContact O-CG 3.48Å; Y42-Q46 PolarHBondContact O-N 2.9Å; R43-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 VanDerWaalsContact C-N 3.34Å; N44-Q46 PolarHBondContact O-N 3.39Å
47S77.4Confident76.2Confident86 Ų86113 Ų11360%0.60160%0.595SS**Hα-helixtrans-75.9-24.9176.769.30000112.6R43 N44 K49R43-S47 WeakPolarHBondContact O-CB 3.22Å; R43-S47 PolarHBondContact O-N 3.23Å; R43-S47 PolarHBondContact O-OG 3.46Å; N44-S47 PolarHBondContact O-N 3.02Å; N44-S47 PolarHBondContact O-OG 3.42Å; S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.89Å
48V71Confident75.3Confident109 Ų109114.3 Ų114.366%0.66160%0.596SS**SBendtrans-75.483.3170.4-1770000108.7N44 I45 A50N44-V48 VanDerWaalsContact O-CG2 3.31Å; N44-V48 WeakPolarHBondContact O-CG2 3.38Å; N44-V48 PolarHBondContact O-N 2.97Å; I45-V48 PolarHBondContact O-N 3.23Å; V48-A50 PolarHBondContact O-N 3.3Å
49K58.7Low74.6Confident197 Ų197114.1 Ų114.186%0.85760%0.6SS**  trans-60.9110.3166.8-135173.5-173.4175.80107.2S47 Y51S47-K49 VanDerWaalsContact C-N 3.27Å; S47-K49 PolarHBondContact O-N 2.89Å; K49-Y51 VanDerWaalsContact C-N 3.26Å; K49-Y51 PolarHBondContact O-N 2.91Å
50A58.7Low73.9Confident89 Ų89117.6 Ų117.674%0.73661%0.612SS**  trans-6486.3175.900000109.8V48 V52V48-A50 PolarHBondContact O-N 3.3Å; A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 3.45Å; A50-V52 VanDerWaalsContact O-N 3.14Å
51Y57.1Low73.1Confident195 Ų195119.3 Ų119.377%0.76562%0.621SS**  trans-76.792.6161.3-170.4-96.5000106.3K49 D53K49-Y51 VanDerWaalsContact C-N 3.26Å; K49-Y51 PolarHBondContact O-N 2.91Å; Y51-D53 VanDerWaalsContact C-N 3.32Å; Y51-D53 HydrophobicContact CD1-CB 4.02Å; Y51-D53 HydrophobicContact CE1-CB 3.86Å; Y51-D53 PolarHBondContact O-N 3.38Å
52V58.9Low72Confident102 Ų102119.6 Ų119.662%0.61862%0.622SS**  trans-70.399.8165.8-1710000105.5A50 N54A50-V52 VanDerWaalsContact C-N 3.31Å; A50-V52 PolarHBondContact O-N 3.45Å; A50-V52 VanDerWaalsContact O-N 3.14Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.31Å; V52-N54 PolarHBondContact O-N 2.95Å; V52-N54 PolarHBondContact O-OD1 2.81Å
53D61.3Low70.5Confident94 Ų94116.9 Ų116.950%0.50362%0.616SS.*  trans-68.299.3170.4-170.8-2.5000108Y51 T55Y51-D53 VanDerWaalsContact C-N 3.32Å; Y51-D53 HydrophobicContact CD1-CB 4.02Å; Y51-D53 HydrophobicContact CE1-CB 3.86Å; Y51-D53 PolarHBondContact O-N 3.38Å; D53-T55 VanDerWaalsContact CG-OG1 3.28Å; D53-T55 PolarHBondContact O-N 3.31Å; D53-T55 VanDerWaalsContact OD1-CB 3.28Å; D53-T55 WeakPolarHBondContact OD1-CB 3.39Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.3Å; D53-T55 PolarHBondContact OD1-N 3.07Å; D53-T55 PolarHBondContact OD1-OG1 3.17Å; D53-T55 PolarHBondContact OD2-OG1 2.72Å
54N68.8Low69.4Low143 Ų143112.7 Ų112.777%0.76561%0.613SS**  trans-81.23.7177.2-63.3-22.4000112.1V52V52-N54 WeakPolarHBondContact CG1-OD1 3.31Å; V52-N54 PolarHBondContact O-N 2.95Å; V52-N54 PolarHBondContact O-OD1 2.81Å
55T75.4Confident68.4Low97 Ų97112.2 Ų112.260%0.59561%0.614SS**SBendtrans-75.1136.2176.567.50000109.9D53D53-T55 VanDerWaalsContact CG-OG1 3.28Å; D53-T55 PolarHBondContact O-N 3.31Å; D53-T55 VanDerWaalsContact OD1-CB 3.28Å; D53-T55 WeakPolarHBondContact OD1-CB 3.39Å; D53-T55 WeakPolarHBondContact OD1-CG2 3.3Å; D53-T55 PolarHBondContact OD1-N 3.07Å; D53-T55 PolarHBondContact OD1-OG1 3.17Å; D53-T55 PolarHBondContact OD2-OG1 2.72Å
56A75Confident67Low65 Ų65109.7 Ų109.754%0.53760%0.604SS.*PPolyproline II helixtrans-57.2135.5174.800000108.7Y58 F60A56-Y58 PolarHBondContact O-N 3.06Å; A56-F60 HydrophobicContact CB-CB 4.06Å; A56-F60 HydrophobicContact CB-CD1 4.1Å; A56-F60 HydrophobicContact CB-CG 4.25Å
57P76.6Confident65.6Low86 Ų86109 Ų10956%0.55860%0.601SS**PPolyproline II helixtrans-56.1144.1179.323.5-32.8000109.1S59 F60P57-S59 PolarHBondContact O-N 2.9Å; P57-F60 HydrophobicContact CG-CB 4.49Å; P57-F60 VanDerWaalsContact O-CB 3.3Å; P57-F60 WeakPolarHBondContact O-CB 3.29Å; P57-F60 PolarHBondContact O-N 3.23Å
58Y72.2Confident64Low171 Ų171111.4 Ų111.467%0.67160%0.601SS**Hα-helixtrans-50.1-29.3-178.3-178.6-95.7000113.3A56 F60 S61 H62A56-Y58 PolarHBondContact O-N 3.06Å; Y58-F60 VanDerWaalsContact C-N 3.28Å; Y58-F60 PolarHBondContact O-N 3.07Å; Y58-S61 PolarHBondContact O-N 3.49Å; Y58-S61 PolarHBondContact O-OG 3.47Å; Y58-H62 HydrophobicContact CD1-CB 4.1Å; Y58-H62 AromaticContact CD2-CE1 3.84Å; Y58-H62 AromaticContact CD2-ND1 3.64Å; Y58-H62 HydrophobicContact CE1-CB 3.7Å; Y58-H62 AromaticContact CE1-CG 3.62Å; Y58-H62 AromaticContact CE1-ND1 3.87Å; Y58-H62 AromaticContact CE2-CE1 3.33Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.28Å; Y58-H62 AromaticContact CE2-CG 3.87Å; Y58-H62 AromaticContact CE2-ND1 3.41Å; Y58-H62 WeakPolarHBondContact CE2-ND1 3.45Å; Y58-H62 AromaticContact CE2-NE2 3.74Å; Y58-H62 AromaticContact CG-ND1 3.97Å; Y58-H62 AromaticContact CZ-CD2 3.59Å; Y58-H62 AromaticContact CZ-CE1 3.7Å; Y58-H62 AromaticContact CZ-CG 3.46Å; Y58-H62 VanDerWaalsContact CZ-CG 3.46Å; Y58-H62 AromaticContact CZ-ND1 3.53Å; Y58-H62 AromaticContact CZ-NE2 3.74Å; Y58-H62 WeakPolarHBondContact O-CB 3.32Å; Y58-H62 PolarHBondContact O-N 2.92Å; Y58-H62 VanDerWaalsContact O-N 3.15Å; Y58-H62 PolarHBondContact O-ND1 2.94Å; Y58-H62 PolarHBondContact OH-CD2 3.22Å
59S77Confident63Low71 Ų71111.1 Ų111.150%0.49760%0.6SS.*Hα-helixtrans-63-25.9173.851.90000114.2P57 S61 N63P57-S59 PolarHBondContact O-N 2.9Å; S59-S61 VanDerWaalsContact C-N 3.34Å; S59-S61 PolarHBondContact O-N 3.42Å; S59-N63 WeakPolarHBondContact O-CB 3.28Å; S59-N63 PolarHBondContact O-N 3.43Å
60F73.3Confident62.5Low153 Ų153108.1 Ų108.167%0.67159%0.592SS**Hα-helixtrans-66.8-34.7178.7-169.7-100.7000112.5A56 P57 Y58A56-F60 HydrophobicContact CB-CB 4.06Å; A56-F60 HydrophobicContact CB-CD1 4.1Å; A56-F60 HydrophobicContact CB-CG 4.25Å; P57-F60 HydrophobicContact CG-CB 4.49Å; P57-F60 VanDerWaalsContact O-CB 3.3Å; P57-F60 WeakPolarHBondContact O-CB 3.29Å; P57-F60 PolarHBondContact O-N 3.23Å; Y58-F60 VanDerWaalsContact C-N 3.28Å; Y58-F60 PolarHBondContact O-N 3.07Å
61S70Confident61.9Low84 Ų84109.6 Ų109.659%0.58759%0.587SS**Hα-helixtrans-99.2-13.9179.351.10000114.4Y58 S59Y58-S61 PolarHBondContact O-N 3.49Å; Y58-S61 PolarHBondContact O-OG 3.47Å; S59-S61 VanDerWaalsContact C-N 3.34Å; S59-S61 PolarHBondContact O-N 3.42Å
62H66Low61.2Low106 Ų106108.2 Ų108.249%0.49159%0.585SS.*Hα-helixtrans-122.710.9-175.7-61.980.4000114Y58 P64Y58-H62 HydrophobicContact CD1-CB 4.1Å; Y58-H62 AromaticContact CD2-CE1 3.84Å; Y58-H62 AromaticContact CD2-ND1 3.64Å; Y58-H62 HydrophobicContact CE1-CB 3.7Å; Y58-H62 AromaticContact CE1-CG 3.62Å; Y58-H62 AromaticContact CE1-ND1 3.87Å; Y58-H62 AromaticContact CE2-CE1 3.33Å; Y58-H62 WeakPolarHBondContact CE2-CE1 3.28Å; Y58-H62 AromaticContact CE2-CG 3.87Å; Y58-H62 AromaticContact CE2-ND1 3.41Å; Y58-H62 WeakPolarHBondContact CE2-ND1 3.45Å; Y58-H62 AromaticContact CE2-NE2 3.74Å; Y58-H62 AromaticContact CG-ND1 3.97Å; Y58-H62 AromaticContact CZ-CD2 3.59Å; Y58-H62 AromaticContact CZ-CE1 3.7Å; Y58-H62 AromaticContact CZ-CG 3.46Å; Y58-H62 VanDerWaalsContact CZ-CG 3.46Å; Y58-H62 AromaticContact CZ-ND1 3.53Å; Y58-H62 AromaticContact CZ-NE2 3.74Å; Y58-H62 WeakPolarHBondContact O-CB 3.32Å; Y58-H62 PolarHBondContact O-N 2.92Å; Y58-H62 VanDerWaalsContact O-N 3.15Å; Y58-H62 PolarHBondContact O-ND1 2.94Å; Y58-H62 PolarHBondContact OH-CD2 3.22Å; H62-P64 WeakPolarHBondContact O-CD 3.46Å
63N56.5Low60.4Low70 Ų70108.5 Ų108.537%0.37459%0.588SS.*  trans-81.8115.6171.9-176.1-9.5000110.1S59 T65 S66S59-N63 WeakPolarHBondContact O-CB 3.28Å; S59-N63 PolarHBondContact O-N 3.43Å; N63-T65 PolarHBondContact O-N 3.39Å; N63-T65 WeakPolarHBondContact OD1-CB 3.45Å; N63-T65 PolarHBondContact OD1-N 3.3Å; N63-T65 PolarHBondContact OD1-OG1 3.39Å; N63-S66 PolarHBondContact O-N 3.17Å; N63-S66 PolarHBondContact O-OG 3.14Å
64P61.3Low59.3Low95 Ų95108 Ų10862%0.61759%0.592SS**Hα-helixtrans-60.4-19.4179.225.1-34.3000113.3H62H62-P64 WeakPolarHBondContact O-CD 3.46Å
65T61.8Low57.8Low97 Ų97108.4 Ų108.460%0.59559%0.589SS**Hα-helixtrans-77.5-24.4177-360000112.6N63N63-T65 PolarHBondContact O-N 3.39Å; N63-T65 WeakPolarHBondContact OD1-CB 3.45Å; N63-T65 PolarHBondContact OD1-N 3.3Å; N63-T65 PolarHBondContact OD1-OG1 3.39Å
66S52.5Low55.9Low40 Ų40109.6 Ų109.628%0.2860%0.598SS.*Hα-helixtrans-77.9-26.5177.168.30000112.9N63 F68 T69 L70N63-S66 PolarHBondContact O-N 3.17Å; N63-S66 PolarHBondContact O-OG 3.14Å; S66-F68 PolarHBondContact O-N 2.99Å; S66-T69 PolarHBondContact O-N 3.37Å; S66-T69 VanDerWaalsContact O-N 3.12Å; S66-L70 PolarHBondContact O-N 3.46Å
67E47.7Very low54.2Low138 Ų138116.8 Ų116.865%0.64561%0.612SS**Hα-helixtrans-65.2-28175.7-154.7-179.3-175.100111.7L71E67-L71 WeakPolarHBondContact O-CD1 3.39Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å
68F45.2Very low52.3Low138 Ų138119.3 Ų119.361%0.60563%0.625SS**Hα-helixtrans-77.1-24.9174.8-110.7-90.1000113.7S66 F72S66-F68 PolarHBondContact O-N 2.99Å; F68-F72 AromaticContact CD1-CE2 3.97Å; F68-F72 HydrophobicContact CD1-CE2 3.97Å; F68-F72 HydrophobicContact CE1-CE2 4.49Å; F68-F72 WeakPolarHBondContact O-CD2 3.48Å
69T49.9Very low50.7Low103 Ų103118.6 Ų118.663%0.63263%0.631SS**Hα-helixtrans-84.4-24.3-177.5-50.90000112S66S66-T69 PolarHBondContact O-N 3.37Å; S66-T69 VanDerWaalsContact O-N 3.12Å
70L47.2Very low48.5Very low133 Ų133118.7 Ų118.770%0.69664%0.644SS**SBendtrans-84.4-9.5174.6-69.2174.5000114.1S66S66-L70 PolarHBondContact O-N 3.46Å
71L46.6Very low46.5Very low120 Ų120114.5 Ų114.563%0.62864%0.643SS**SBendtrans-89-13.9177.9-77.3168000114E67E67-L71 WeakPolarHBondContact O-CD1 3.39Å; E67-L71 WeakPolarHBondContact O-CG 3.45Å
72F42.7Very low44.8Very low166 Ų166119.6 Ų119.673%0.72866%0.657SS**THydrogen-bonded Turntrans-89.3-4.7178.9-76.2-71000114.6F68F68-F72 AromaticContact CD1-CE2 3.97Å; F68-F72 HydrophobicContact CD1-CE2 3.97Å; F68-F72 HydrophobicContact CE1-CE2 4.49Å; F68-F72 WeakPolarHBondContact O-CD2 3.48Å
73T42Very low43.2Very low108 Ų108119.8 Ų119.866%0.66367%0.668SS**THydrogen-bonded Turntrans-116.338.9178.757.60000111.2
74S37.6Very low42.4Very low84 Ų84125.6 Ų125.659%0.58769%0.69SS**SBendtrans-164.4116.4173.9-80.10000112.4
75Q37.7Very low41.2Very low151 Ų151129.6 Ų129.671%0.70670%0.7SS**  trans86.8110161.3-48.2-70.9-20.100117.9R77Q75-R77 HydrophobicContact CB-CG 4.37Å; Q75-R77 PolarHBondContact O-N 2.94Å
76P35.5Very low39.7Very low123 Ų123132.8 Ų132.880%0.79971%0.713SS**  trans-75.499.6152.530.7-25.2000107.9V78P76-V78 PolarHBondContact O-N 2.91Å; P76-V78 VanDerWaalsContact O-N 3.09Å
77R38.2Very low38.8Very low216 Ų216138.9 Ų138.982%0.81574%0.741SS**  trans-74.997.6170.7-70-172.2-161.7-148.64.2109.5Q75 I79Q75-R77 HydrophobicContact CB-CG 4.37Å; Q75-R77 PolarHBondContact O-N 2.94Å; R77-I79 PolarHBondContact O-N 3Å
78V36.6Very low38.1Very low139 Ų139140.9 Ų140.984%0.84275%0.747SS**  trans-65.6110.3158.5-179.60000107.7P76P76-V78 PolarHBondContact O-N 2.91Å; P76-V78 VanDerWaalsContact O-N 3.09Å
79I38.9Very low37.6Very low156 Ų156140.9 Ų140.980%0.875%0.753SS**  trans-98.8113.2169-61.8177.2000106.9R77R77-I79 PolarHBondContact O-N 3Å
80G30.9Very low36.9Very low73 Ų73143.9 Ų143.975%0.75376%0.76SS**  trans-85.7173.1-175.700000115.6
81G32.6Very low36.1Very low64 Ų64147.7 Ų147.766%0.6677%0.771SS**  trans138.3105.1172.900000108.4
82H33.8Very low35.5Very low192 Ų192150.1 Ų150.189%0.88978%0.779SS**  cis-156162.540.1-84.7-87000112
83P33Very low34.9Very low109 Ų109147.7 Ų147.771%0.70878%0.78SS**  trans-99.3155.7-16637.7-31.4000113.4
84K38.9Very low34.5Very low192 Ų192149.9 Ų149.984%0.83579%0.788SS**  trans-176122140.3-99.2158.5-170.4-171.90112.4
85Q37Very low34.3Very low179 Ų179155 Ų15584%0.83680%0.803SS**  trans63.698.3145.7-56.4-174.5-4.700117.3
86L29.1Very low34.3Very low164 Ų164157.7 Ų157.786%0.85981%0.812SS**  65.982.974.3-156.2138.7000113.5
87I34.2Very low34.4Very low169 Ų169160.2 Ų160.287%0.86781%0.813SS**  trans-141.4115.2143.2-61.6-172.6000107.1
88K32Very low34.1Very low180 Ų180157.8 Ų157.878%0.78381%0.814SS**  trans-70.8133.9163-78.8166.9171.2174.40107.2
89D35.4Very low34Very low137 Ų137157 Ų15773%0.73381%0.81SS**  -179125.4122.9-86.3-30.6000111.6
90H34.9Very low34.2Very low167 Ų167152.5 Ų152.577%0.77380%0.795SS**  trans35.3109.4146.4-6279.8000118.9
91F29.9Very low35Very low213 Ų213156.3 Ų156.393%0.93480%0.797SS**  -166.7152.6125-123.3-103.4000111.5
92Q35.3Very low36.3Very low171 Ų171158.8 Ų158.880%0.79980%0.795SS**  trans-56.2164.3-162.8-76.6-109.7-18.500118.1
93P29.7Very low38.1Very low114 Ų114153.4 Ų153.474%0.7478%0.776SS**  trans-88.8111-166.834.1-26.9000111.7
94D32.9Very low40.1Very low154 Ų154154.4 Ų154.482%0.82477%0.77SS**  trans-103.8132.7169.1-86.9-23.2000112.4K96D94-K96 PolarHBondContact O-N 3.28Å
95Q33.1Very low42.1Very low193 Ų193147 Ų14790%0.90274%0.742SS**  trans-50.5115.9-176.8-61.7163.5-6.200112Q97Q95-Q97 PolarHBondContact O-N 3.29Å
96K38.4Very low44.3Very low207 Ų207146.4 Ų146.490%0.975%0.745SS**  trans-99.887.7170.5-77.6-174.2178.2-177.70110.9D94D94-K96 PolarHBondContact O-N 3.28Å
97Q36.9Very low46.6Very low176 Ų176142 Ų14282%0.82272%0.722SS**  trans24.8105.4137.3-124.3166.537.100116.9Q95 V99Q95-Q97 PolarHBondContact O-N 3.29Å; Q97-V99 PolarHBondContact O-N 3.01Å
98I33.2Very low49Very low165 Ų165138.6 Ų138.685%0.84671%0.711SS**  trans-67.1110.8156.4-63.7169.2000106.1A100I98-A100 PolarHBondContact O-N 3.14Å; I98-A100 VanDerWaalsContact O-N 3.1Å
99V34.8Very low51.4Low122 Ų122136.9 Ų136.974%0.73971%0.706SS**  trans-71.9102.9172.6178.20000107.1Q97 I101Q97-V99 PolarHBondContact O-N 3.01Å; V99-I101 PolarHBondContact O-N 2.79Å
100A41.3Very low53.4Low61 Ų61133.3 Ų133.350%0.50469%0.688SS.*  trans-64.3126169.300000108.9I98 N102I98-A100 PolarHBondContact O-N 3.14Å; I98-A100 VanDerWaalsContact O-N 3.1Å; A100-N102 VanDerWaalsContact C-N 3.28Å; A100-N102 VanDerWaalsContact CB-OD1 3.3Å; A100-N102 WeakPolarHBondContact CB-OD1 3.36Å; A100-N102 PolarHBondContact O-N 3.13Å
101I48.5Very low55.6Low153 Ų153125.7 Ų125.779%0.78565%0.654SS**  trans-76.586.4176.7-55.9170.7000106.4V99 T103V99-I101 PolarHBondContact O-N 2.79Å; I101-T103 PolarHBondContact O-N 3.45Å
102N59.6Low58Low116 Ų116120.2 Ų120.262%0.6263%0.631SS**  trans-86.821.2-177.6-69.2-3.9000113.2A100A100-N102 VanDerWaalsContact C-N 3.28Å; A100-N102 VanDerWaalsContact CB-OD1 3.3Å; A100-N102 WeakPolarHBondContact CB-OD1 3.36Å; A100-N102 PolarHBondContact O-N 3.13Å
103T71.3Confident60.3Low80 Ų80117 Ų11749%0.49162%0.618SS.*  trans-122.2114.1-178.853.40000109.6I101 S105 D111I101-T103 PolarHBondContact O-N 3.45Å; T103-S105 VanDerWaalsContact C-N 3.25Å; T103-D111 WeakPolarHBondContact CA-OD1 3.27Å
104F75.5Confident62.7Low130 Ų130113.6 Ų113.657%0.5760%0.595SS**SBendtrans-74.5-18.7172.8-58.1-77.2000112D111 V114 R115 L118F104-D111 PolarHBondContact N-OD1 3.16Å; F104-V114 HydrophobicContact CB-CB 4.17Å; F104-V114 HydrophobicContact CB-CG1 3.75Å; F104-V114 HydrophobicContact CD1-CG1 4.01Å; F104-V114 HydrophobicContact CD2-CB 4.17Å; F104-V114 HydrophobicContact CD2-CG1 3.56Å; F104-V114 HydrophobicContact CE2-CG1 4.12Å; F104-V114 HydrophobicContact CG-CB 4.29Å; F104-V114 HydrophobicContact CG-CG1 3.49Å; F104-V114 VanDerWaalsContact CG-CG1 3.49Å; F104-R115 HydrophobicContact CE2-CG 4.32Å; F104-L118 HydrophobicContact CE1-CD1 3.88Å; F104-L118 HydrophobicContact CE2-CD1 4.05Å; F104-L118 HydrophobicContact CZ-CD1 3.62Å
105S80.7Confident64.8Low37 Ų37110.8 Ų110.826%0.25957%0.573SS.*  trans-150148.1179-164.70000112.1T103 N107T103-S105 VanDerWaalsContact C-N 3.25Å; S105-N107 PolarHBondContact O-N 3.32Å; S105-N107 PolarHBondContact OG-N 3.18Å
106D82.6Confident67Low166 Ų166106.1 Ų106.189%0.88856%0.557SS**SBendtrans-67.3-16.5168.8-62.4-32.2000112.2
107N79.5Confident68.9Low72 Ų72101.8 Ų101.839%0.38555%0.548SS..SBendtrans-92.8117.1175.5-175.1-19.2000110.1S105 E109 V110 D111S105-N107 PolarHBondContact O-N 3.32Å; S105-N107 PolarHBondContact OG-N 3.18Å; N107-E109 VanDerWaalsContact C-N 3.27Å; N107-E109 PolarHBondContact O-N 3.22Å; N107-E109 PolarHBondContact OD1-N 2.96Å; N107-E109 VanDerWaalsContact OD1-N 3.12Å; N107-V110 HydrophobicContact CB-CB 4.19Å; N107-V110 HydrophobicContact CB-CG2 3.92Å; N107-V110 PolarHBondContact O-N 2.89Å; N107-V110 VanDerWaalsContact O-N 3.12Å; N107-D111 PolarHBondContact O-N 3.46Å
108P84.2Confident70.6Confident97 Ų9798.2 Ų98.263%0.6353%0.534SS*.Hα-helixtrans-62.2-30.1-175.725.6-35.4000113.7E112P108-E112 WeakPolarHBondContact O-CB 3.34Å; P108-E112 PolarHBondContact O-N 3.27Å
109E80.8Confident71.7Confident144 Ų14492.1 Ų92.167%0.67351%0.512SS*.Hα-helixtrans-69.2-40.1176.5-71.8179.5169.500111.5N107 I113N107-E109 VanDerWaalsContact C-N 3.27Å; N107-E109 PolarHBondContact O-N 3.22Å; N107-E109 PolarHBondContact OD1-N 2.96Å; N107-E109 VanDerWaalsContact OD1-N 3.12Å; E109-I113 WeakPolarHBondContact O-CD1 3.12Å; E109-I113 WeakPolarHBondContact O-CG1 3.31Å; E109-I113 PolarHBondContact O-N 3.2Å
110V78.4Confident72.3Confident61 Ų6193.2 Ų93.237%0.3751%0.514SS..Hα-helixtrans-70.3-41.51791790000110N107 E112 I113 V114N107-V110 HydrophobicContact CB-CB 4.19Å; N107-V110 HydrophobicContact CB-CG2 3.92Å; N107-V110 PolarHBondContact O-N 2.89Å; N107-V110 VanDerWaalsContact O-N 3.12Å; V110-E112 VanDerWaalsContact C-N 3.3Å; V110-E112 PolarHBondContact O-N 3.26Å; V110-I113 PolarHBondContact O-N 3.45Å; V110-V114 HydrophobicContact CG1-CG2 4.38Å; V110-V114 VanDerWaalsContact O-CG2 3.25Å; V110-V114 WeakPolarHBondContact O-CG2 3.38Å; V110-V114 PolarHBondContact O-N 3.42Å
111D81.1Confident72.3Confident8 Ų893.3 Ų93.34%0.04351%0.51CS..Hα-helixtrans-60.8-40.2177.3-166.551.2000112T103 F104 N107 V114 R115T103-D111 WeakPolarHBondContact CA-OD1 3.27Å; F104-D111 PolarHBondContact N-OD1 3.16Å; N107-D111 PolarHBondContact O-N 3.46Å; D111-V114 PolarHBondContact O-N 3.38Å; D111-R115 PolarHBondContact O-N 2.9Å; D111-R115 IonicContact OD1-NH1 3.6Å; D111-R115 IonicContact OD2-CZ 2.83Å; D111-R115 IonicContact OD2-NH1 3.68Å; D111-R115 PolarHBondContact OD2-NH1 2.92Å; D111-R115 IonicContact OD2-NH2 3.64Å; D111-R115 PolarHBondContact OD2-NH2 3.37Å
112E81Confident72.3Confident97 Ų9793.7 Ų93.745%0.45351%0.514SS..Hα-helixtrans-68.7-42.4175.1-169.362.5-17200112.8P108 V110 V114 R115 V116P108-E112 WeakPolarHBondContact O-CB 3.34Å; P108-E112 PolarHBondContact O-N 3.27Å; V110-E112 VanDerWaalsContact C-N 3.3Å; V110-E112 PolarHBondContact O-N 3.26Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.33Å; E112-R115 PolarHBondContact O-N 2.84Å; E112-R115 IonicContact OE2-CZ 3.44Å; E112-R115 IonicContact OE2-NE 3.41Å; E112-R115 PolarHBondContact OE2-NE 3.44Å; E112-R115 IonicContact OE2-NH2 3.01Å; E112-R115 PolarHBondContact OE2-NH2 3.4Å; E112-R115 VanDerWaalsContact OE2-NH2 3.11Å; E112-V116 WeakPolarHBondContact O-CB 3.38Å; E112-V116 VanDerWaalsContact O-CG2 3.27Å; E112-V116 WeakPolarHBondContact O-CG2 3.32Å; E112-V116 PolarHBondContact O-N 3.5Å
113I82.2Confident71.9Confident105 Ų10597 Ų9754%0.53853%0.526SS..Hα-helixtrans-59.6-42.9173.5-69.1162.8000110.1E109 V110 V116 V117E109-I113 WeakPolarHBondContact O-CD1 3.12Å; E109-I113 WeakPolarHBondContact O-CG1 3.31Å; E109-I113 PolarHBondContact O-N 3.2Å; V110-I113 PolarHBondContact O-N 3.45Å; I113-V116 PolarHBondContact O-N 2.96Å; I113-V117 HydrophobicContact CG2-CG2 4.11Å; I113-V117 VanDerWaalsContact O-CB 3.28Å; I113-V117 WeakPolarHBondContact O-CB 3.45Å; I113-V117 WeakPolarHBondContact O-CG2 3.28Å; I113-V117 PolarHBondContact O-N 3.23Å
114V80.1Confident70.5Confident42 Ų42100.1 Ų100.126%0.25554%0.538SS..Hα-helixtrans-66.5-41179.2174.10000111F104 V110 D111 E112 V117 L118F104-V114 HydrophobicContact CB-CB 4.17Å; F104-V114 HydrophobicContact CB-CG1 3.75Å; F104-V114 HydrophobicContact CD1-CG1 4.01Å; F104-V114 HydrophobicContact CD2-CB 4.17Å; F104-V114 HydrophobicContact CD2-CG1 3.56Å; F104-V114 HydrophobicContact CE2-CG1 4.12Å; F104-V114 HydrophobicContact CG-CB 4.29Å; F104-V114 HydrophobicContact CG-CG1 3.49Å; F104-V114 VanDerWaalsContact CG-CG1 3.49Å; V110-V114 HydrophobicContact CG1-CG2 4.38Å; V110-V114 VanDerWaalsContact O-CG2 3.25Å; V110-V114 WeakPolarHBondContact O-CG2 3.38Å; V110-V114 PolarHBondContact O-N 3.42Å; D111-V114 PolarHBondContact O-N 3.38Å; E112-V114 VanDerWaalsContact C-N 3.27Å; E112-V114 PolarHBondContact O-N 3.33Å; V114-V117 PolarHBondContact O-N 2.7Å; V114-L118 HydrophobicContact CG1-CD1 3.53Å; V114-L118 HydrophobicContact CG1-CG 4.16Å; V114-L118 VanDerWaalsContact O-CB 3.29Å; V114-L118 WeakPolarHBondContact O-CB 3.44Å; V114-L118 VanDerWaalsContact O-CG 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 2.88Å
115R78.2Confident68.9Low95 Ų95101.9 Ų101.936%0.35855%0.551SS.*Hα-helixtrans-58.6-48171.8-86.7-169.3-75.8-87.1-9112.5F104 D111 E112 V117 L118 G119F104-R115 HydrophobicContact CE2-CG 4.32Å; D111-R115 PolarHBondContact O-N 2.9Å; D111-R115 IonicContact OD1-NH1 3.6Å; D111-R115 IonicContact OD2-CZ 2.83Å; D111-R115 IonicContact OD2-NH1 3.68Å; D111-R115 PolarHBondContact OD2-NH1 2.92Å; D111-R115 IonicContact OD2-NH2 3.64Å; D111-R115 PolarHBondContact OD2-NH2 3.37Å; E112-R115 PolarHBondContact O-N 2.84Å; E112-R115 IonicContact OE2-CZ 3.44Å; E112-R115 IonicContact OE2-NE 3.41Å; E112-R115 PolarHBondContact OE2-NE 3.44Å; E112-R115 IonicContact OE2-NH2 3.01Å; E112-R115 PolarHBondContact OE2-NH2 3.4Å; E112-R115 VanDerWaalsContact OE2-NH2 3.11Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.1Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-G119 PolarHBondContact O-N 2.98Å
116V79.4Confident67Low95 Ų95108.5 Ų108.558%0.57658%0.578SS**Hα-helixtrans-64.2-40.1179.3171.70000111.4E112 I113 G119E112-V116 WeakPolarHBondContact O-CB 3.38Å; E112-V116 VanDerWaalsContact O-CG2 3.27Å; E112-V116 WeakPolarHBondContact O-CG2 3.32Å; E112-V116 PolarHBondContact O-N 3.5Å; I113-V116 PolarHBondContact O-N 2.96Å; V116-G119 PolarHBondContact O-N 3.43Å
117V77Confident65.1Low115 Ų115105.4 Ų105.470%0.69757%0.567SS**Hα-helixtrans-72.6-35.7-179.9169.80000112.3I113 V114 R115 G119I113-V117 HydrophobicContact CG2-CG2 4.11Å; I113-V117 VanDerWaalsContact O-CB 3.28Å; I113-V117 WeakPolarHBondContact O-CB 3.45Å; I113-V117 WeakPolarHBondContact O-CG2 3.28Å; I113-V117 PolarHBondContact O-N 3.23Å; V114-V117 PolarHBondContact O-N 2.7Å; R115-V117 VanDerWaalsContact C-N 3.35Å; R115-V117 PolarHBondContact O-N 3.1Å; V117-G119 PolarHBondContact O-N 3.05Å
118L72.3Confident62.8Low102 Ų102110.2 Ų110.253%0.53459%0.591SS.*Hα-helixtrans-75.1-6.3176.5-71.7171.9000113F104 V114 R115F104-L118 HydrophobicContact CE1-CD1 3.88Å; F104-L118 HydrophobicContact CE2-CD1 4.05Å; F104-L118 HydrophobicContact CZ-CD1 3.62Å; V114-L118 HydrophobicContact CG1-CD1 3.53Å; V114-L118 HydrophobicContact CG1-CG 4.16Å; V114-L118 VanDerWaalsContact O-CB 3.29Å; V114-L118 WeakPolarHBondContact O-CB 3.44Å; V114-L118 VanDerWaalsContact O-CG 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.33Å; V114-L118 PolarHBondContact O-N 2.88Å; R115-L118 PolarHBondContact O-N 3.47Å
119G57.5Low60.5Low37 Ų37109 Ų10938%0.38160%0.596SS.*  trans71.7134.5-178.200000110.8R115 V116 V117 S121R115-G119 PolarHBondContact O-N 2.98Å; V116-G119 PolarHBondContact O-N 3.43Å; V117-G119 PolarHBondContact O-N 3.05Å; G119-S121 PolarHBondContact O-N 3.32Å; G119-S121 PolarHBondContact O-OG 3.34Å; G119-S121 VanDerWaalsContact O-OG 3.12Å
120N46.3Very low58.4Low145 Ų145111 Ų11178%0.77561%0.611SS**  trans-57.185.5174.3-61.6-11.4000109.8
121S41.8Very low56.3Low62 Ų62111.7 Ų111.743%0.43463%0.63SS.*  trans-113.556173.947.30000107.5G119 E123G119-S121 PolarHBondContact O-N 3.32Å; G119-S121 PolarHBondContact O-OG 3.34Å; G119-S121 VanDerWaalsContact O-OG 3.12Å; S121-E123 PolarHBondContact O-N 2.61Å
122D48.8Very low54.1Low162 Ų162119.5 Ų119.587%0.86667%0.666SS**THydrogen-bonded Turntrans-63.50.7163.5-71-32.1000111.8
123E51.1Low51.8Low186 Ų186121.2 Ų121.287%0.86967%0.674SS**THydrogen-bonded Turntrans-101.43-176.6-129.1176-171.200114.7S121S121-E123 PolarHBondContact O-N 2.61Å
124L41.3Very low49.6Very low144 Ų144124.3 Ų124.375%0.75469%0.686SS**SBendtrans-119.516-177.5-68.5180000115.3
125M42Very low47.4Very low168 Ų168126.7 Ų126.783%0.82870%0.704SS**  trans-13061.4-177.9-68.8-73-75.600112
126E41.8Very low45.1Very low176 Ų176130.6 Ų130.682%0.82273%0.726SS**  trans-88.8129.4166.2-105.4-75.7145.400110.2
127P42.2Very low43Very low101 Ų101131.6 Ų131.666%0.65673%0.733SS**  trans-73.6126.5-173.927.2-32.5000112.9G129P127-G129 PolarHBondContact O-N 3.01Å
128L31.5Very low41Very low173 Ų173130.7 Ų130.791%0.90674%0.737SS**  trans-51.9102.5172.8-65.1170.7000112
129G35Very low39.3Very low71 Ų71128.8 Ų128.873%0.73274%0.742SS**  trans-132.6106.8175.700000111.7P127P127-G129 PolarHBondContact O-N 3.01Å
130L36.7Very low38.3Very low187 Ų187135.2 Ų135.298%0.97977%0.768SS**  trans-15.6126.6169-63.8164.2000117.7
131G34.7Very low38Very low75 Ų75137.6 Ų137.677%0.77377%0.771SS**  trans161.680.4161.300000115.7
132E35.9Very low37.8Very low172 Ų172142.3 Ų142.380%0.80479%0.791SS**  trans25.4124.1141.1-82.4176.2-170.600121.6
133H32.9Very low37.2Very low132 Ų132140.9 Ų140.961%0.61179%0.789SS**  95.8107.4127.7-80.8-53.7000121.9
134H36.2Very low36.3Very low171 Ų171137.4 Ų137.479%0.79278%0.784SS**  trans72.4148.5150.5-39-65.9000117.7
135S32.4Very low36.2Very low91 Ų91137.4 Ų137.464%0.63678%0.78SS**  cis178.7137.9-13.5176.10000105.2
136E31.2Very low36.2Very low177 Ų177137.5 Ų137.583%0.82778%0.776SS**  trans57.8156.3156.8-74.1-177.1126.800120
137V34.7Very low35.8Very low117 Ų117135.1 Ų135.171%0.70978%0.777SS**  cis-174.3150.5-12139.40000105.7
138A36Very low35.4Very low96 Ų96137.3 Ų137.379%0.79378%0.783SS**  trans59.5132.4159.100000118.4
139G35Very low35.6Very low62 Ų62140.3 Ų140.364%0.63978%0.784SS**  cis109119.134.800000108.1
140N37.5Very low35.6Very low172 Ų172141.1 Ų141.192%0.9278%0.779SS**  trans-176.4146.7140.5-88.9-15000113.3
141K39.7Very low35.5Very low194 Ų194140.1 Ų140.184%0.84377%0.774SS**  trans-103.3145.4-170.2-59.3165176.81720109.4
142N36.6Very low35.5Very low161 Ų161140.2 Ų140.286%0.86178%0.776SS**  trans-129.6118.8166.2-57.826.7000110.3
143T36.2Very low35.5Very low133 Ų133140.2 Ų140.282%0.81678%0.776SS**  trans-80.8154176.948.90000112.6
144C32Very low35.8Very low112 Ų112138.2 Ų138.276%0.75777%0.774SS**  trans-171103146-150.60000109.7
145E40.9Very low36Very low144 Ų144137.1 Ų137.167%0.67377%0.773SS**  82.7115.691.4-68.4-157.4119.400116.8
146K40.9Very low35.9Very low170 Ų170139.2 Ų139.274%0.73978%0.775SS**  trans58.8113136.6-70.1168.7-178.9144.30120.2
147C33.7Very low36.1Very low126 Ų126137 Ų13785%0.85177%0.769SS**  -151.9119.7123.948.70000111.4
148N33.2Very low36.1Very low148 Ų148140.5 Ų140.579%0.79177%0.769SS**  trans-83.9137.7164.9-67.6-47.2000108.2
149Y35.6Very low36Very low236 Ų236144.5 Ų144.593%0.92577%0.769SS**  trans-145.6115.7150.5-104.2-81.3000110.1
150S34.5Very low35.9Very low87 Ų87148.9 Ų148.961%0.60878%0.776SS**  trans-79.1161.9174.9-25.50000111.6
151D35.3Very low35.7Very low166 Ų166147.4 Ų147.489%0.88877%0.768SS**  trans71.9107.8146.1-52.7-25.5000119.8
152G34.6Very low35.7Very low78 Ų78143.2 Ų143.280%0.80476%0.759SS**  trans166.969.7164.800000115.1
153E36.6Very low35.5Very low172 Ų172143.3 Ų143.380%0.80476%0.759SS**  trans-50162.7152.5-83.1-80.2154.200110.6
154P38.2Very low35.3Very low90 Ų90142 Ų14258%0.58475%0.754SS**  cis-139.6-17714.529.6-4.7000114.1
155I40.4Very low35.4Very low147 Ų147144.5 Ų144.575%0.75476%0.759SS**  -175.299.2116.2-82.4149.1000108.9L157I155-L157 PolarHBondContact O-N 3.27Å
156I31.9Very low35Very low135 Ų135142.4 Ų142.469%0.69276%0.761SS**  trans-41.4123.9153.6-62157.3000110.6R158I156-R158 HydrophobicContact CG2-CG 4.46Å
157L35.5Very low34.5Very low131 Ų131139.8 Ų139.869%0.68676%0.759SS**  trans-136.382.8147.1-111.9161.1000110.7I155I155-L157 PolarHBondContact O-N 3.27Å
158R33.9Very low34.5Very low191 Ų191143.1 Ų143.172%0.72176%0.759SS**  trans48102.6133.4-53.7177.5-146.5139.14.4114.4I156I156-R158 HydrophobicContact CG2-CG 4.46Å
159K33.8Very low34.8Very low180 Ų180142.9 Ų142.978%0.78376%0.763SS**  49.392.282.8-155.8169.8-170.5179.30110.9
160L31.8Very low34.6Very low153 Ų153135.5 Ų135.580%0.80175%0.751SS**  trans-142.986.7151.7-77.5-175.4000107.7V162L160-V162 HydrophobicContact CB-CG2 4.24Å; L160-V162 HydrophobicContact CD2-CG2 4.43Å; L160-V162 PolarHBondContact O-N 3.05Å
161D34Very low34.8Very low141 Ų141140 Ų14075%0.75476%0.762SS**  trans-53.7116.4141.4-64.8-49.4000106.8
162V39.8Very low34.9Very low107 Ų107142.3 Ų142.365%0.64876%0.758SS**  trans-143.983.5160.1-173.20000107L160 C164L160-V162 HydrophobicContact CB-CG2 4.24Å; L160-V162 HydrophobicContact CD2-CG2 4.43Å; L160-V162 PolarHBondContact O-N 3.05Å; V162-C164 HydrophobicContact CG1-CB 4.48Å; V162-C164 PolarHBondContact O-N 2.89Å
163D33.6Very low35.3Very low162 Ų162150.4 Ų150.487%0.86677%0.765SS**  trans-45.3130131.5-66.1-40.7000107.4
164C30.3Very low36.1Very low105 Ų105149 Ų14971%0.70976%0.758SS**  trans163.2111137.1-160.60000109.8V162V162-C164 HydrophobicContact CG1-CB 4.48Å; V162-C164 PolarHBondContact O-N 2.89Å
165L33.9Very low36.8Very low165 Ų165150.2 Ų150.286%0.86477%0.768SS**  trans-57.1141.6150.6-73.290.3000109.6
166S32.9Very low37.6Very low100 Ų100150 Ų15070%0.69977%0.768SS**  trans80.9109.3162.6-146.30000114.8
167T30.9Very low39.3Very low116 Ų116145.8 Ų145.871%0.71275%0.751SS**  -171.814270.737.40000109.5
168K34.8Very low41.1Very low196 Ų196146.6 Ų146.685%0.85276%0.756SS**  trans34.1106.2149.7-58.7174.9-178.1176.80116.5
169T37.9Very low43.4Very low142 Ų142141.4 Ų141.487%0.87174%0.742SS**  168.9129.4109.6-50.30000108.3
170A32Very low45.6Very low81 Ų81137 Ų13767%0.66973%0.73SS**  trans-62.4131-174.100000113.4
171H38.9Very low47.8Very low182 Ų182134.3 Ų134.384%0.84372%0.716SS**  trans-159.496138.2-86.9-41.2000111R173H171-R173 PolarHBondContact O-N 3.22Å; H171-R173 VanDerWaalsContact O-N 3.11Å
172R37.9Very low49.9Very low215 Ų215130.8 Ų130.881%0.81170%0.697SS**  trans-4.591.2155.8-164.4-176.3-167.7-154.34.4115.7
173R43Very low52Low247 Ų247129.8 Ų129.893%0.93269%0.687SS**  trans-104100.5156.6-75.7-170.9169.1-179.2-2.9108H171 S175H171-R173 PolarHBondContact O-N 3.22Å; H171-R173 VanDerWaalsContact O-N 3.11Å; R173-S175 PolarHBondContact O-N 3.21Å
174Q52.2Low54.3Low144 Ų144127.5 Ų127.567%0.67367%0.667SS**  trans-61.2116.5168.3-77.1165.5-38.100107.4L176Q174-L176 PolarHBondContact O-N 3.25Å
175S53.6Low56.9Low114 Ų114130.7 Ų130.780%0.79766%0.664SS**  trans-59.7101.516649.90000107.5R173 S177R173-S175 PolarHBondContact O-N 3.21Å; S175-S177 PolarHBondContact O-N 2.87Å
176L58.1Low59.1Low144 Ų144130.5 Ų130.575%0.75467%0.665SS**  trans-69.1100.4173-154.675000105.9Q174 N178Q174-L176 PolarHBondContact O-N 3.25Å; L176-N178 PolarHBondContact O-N 3.43Å
177S67.5Low61.4Low45 Ų45133.6 Ų133.632%0.31567%0.665SS.*  trans-64.9130.2171.633.70000108S175 D179 D182 I183S175-S177 PolarHBondContact O-N 2.87Å; S177-D179 PolarHBondContact O-N 2.8Å; S177-D179 VanDerWaalsContact O-N 3.08Å; S177-D182 VanDerWaalsContact CB-OD2 3.26Å; S177-D182 WeakPolarHBondContact CB-OD2 3.38Å; S177-D182 WeakPolarHBondContact OG-CB 3.42Å; S177-D182 PolarHBondContact OG-OD2 3.46Å; S177-I183 WeakPolarHBondContact O-CG1 3.39Å
178N73.2Confident63.7Low149 Ų149133.5 Ų133.580%0.79766%0.655SS**  trans-73.610.6175.1-66.5-3000112L176L176-N178 PolarHBondContact O-N 3.43Å
179D80.6Confident66Low81 Ų81130.2 Ų130.243%0.43365%0.652SS.*  trans-76.2126.3174.4-171-15.5000108.9S177 L181 D182 I183S177-D179 PolarHBondContact O-N 2.8Å; S177-D179 VanDerWaalsContact O-N 3.08Å; D179-L181 PolarHBondContact O-N 2.94Å; D179-L181 VanDerWaalsContact O-N 3.12Å; D179-L181 PolarHBondContact OD1-N 3.24Å; D179-D182 HydrophobicContact CB-CB 4.43Å; D179-D182 PolarHBondContact O-N 2.91Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 3.32Å
180V81.3Confident67.8Low88 Ų88127.8 Ų127.853%0.53364%0.641SS.*Hα-helixtrans-51.7-35176.9177.60000111D182 Y184V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 3.42Å; V180-Y184 HydrophobicContact CG1-CD2 3.72Å; V180-Y184 HydrophobicContact CG1-CE2 3.99Å; V180-Y184 WeakPolarHBondContact O-CB 3.47Å; V180-Y184 VanDerWaalsContact O-CD2 3.23Å; V180-Y184 WeakPolarHBondContact O-CD2 3.41Å; V180-Y184 PolarHBondContact O-N 2.88Å; V180-Y184 VanDerWaalsContact O-N 3.11Å
181L78.3Confident69.7Low97 Ų97130.5 Ų130.551%0.50865%0.652SS.*Hα-helixtrans-68.6-31179.3-62-178.5000113.2D179 R185 F188D179-L181 PolarHBondContact O-N 2.94Å; D179-L181 VanDerWaalsContact O-N 3.12Å; D179-L181 PolarHBondContact OD1-N 3.24Å; L181-R185 WeakPolarHBondContact O-CA 3.43Å; L181-R185 PolarHBondContact O-N 3.45Å; L181-F188 HydrophobicContact CD2-CE1 4.17Å; L181-F188 HydrophobicContact CD2-CE2 3.87Å; L181-F188 HydrophobicContact CD2-CZ 3.65Å
182D77.1Confident71.6Confident66 Ų66130.3 Ų130.335%0.35365%0.648SS.*Hα-helixtrans-88.7-37178.9-76.1-33.1000112.3S177 D179 V180 Y184 R185S177-D182 VanDerWaalsContact CB-OD2 3.26Å; S177-D182 WeakPolarHBondContact CB-OD2 3.38Å; S177-D182 WeakPolarHBondContact OG-CB 3.42Å; S177-D182 PolarHBondContact OG-OD2 3.46Å; D179-D182 HydrophobicContact CB-CB 4.43Å; D179-D182 PolarHBondContact O-N 2.91Å; V180-D182 VanDerWaalsContact C-N 3.33Å; V180-D182 PolarHBondContact O-N 3.42Å; D182-Y184 PolarHBondContact O-N 3.22Å; D182-R185 WeakPolarHBondContact O-CB 3.43Å; D182-R185 PolarHBondContact O-N 2.93Å
183I83.7Confident73.3Confident86 Ų86127.4 Ų127.444%0.44165%0.648SS.*Hα-helixtrans-57.8-40.4172.6-65.8166.9000110.3S177 D179S177-I183 WeakPolarHBondContact O-CG1 3.39Å; D179-I183 WeakPolarHBondContact O-CG1 3.41Å; D179-I183 PolarHBondContact O-N 3.32Å
184Y82.6Confident74.6Confident114 Ų114124.4 Ų124.445%0.44764%0.642SS.*THydrogen-bonded Turntrans-106.926.7-179.8-59.2-64.5000112.8V180 D182 D186 K187 F188V180-Y184 HydrophobicContact CG1-CD2 3.72Å; V180-Y184 HydrophobicContact CG1-CE2 3.99Å; V180-Y184 WeakPolarHBondContact O-CB 3.47Å; V180-Y184 VanDerWaalsContact O-CD2 3.23Å; V180-Y184 WeakPolarHBondContact O-CD2 3.41Å; V180-Y184 PolarHBondContact O-N 2.88Å; V180-Y184 VanDerWaalsContact O-N 3.11Å; D182-Y184 PolarHBondContact O-N 3.22Å; Y184-D186 PolarHBondContact O-N 2.9Å; Y184-K187 HydrophobicContact CD1-CD 3.8Å; Y184-K187 HydrophobicContact CG-CD 4.16Å; Y184-K187 WeakPolarHBondContact O-CA 3.33Å; Y184-K187 WeakPolarHBondContact O-CB 3.36Å; Y184-K187 PolarHBondContact O-N 3.45Å; Y184-F188 WeakPolarHBondContact O-CD2 3.28Å
185R83.5Confident75.4Confident172 Ų172122 Ų12265%0.64964%0.641SS**G310 helixtrans-48.3-37.5179.2177.5178.8-99.7-168.9-4112.4L181 D182 K187 F188L181-R185 WeakPolarHBondContact O-CA 3.43Å; L181-R185 PolarHBondContact O-N 3.45Å; D182-R185 WeakPolarHBondContact O-CB 3.43Å; D182-R185 PolarHBondContact O-N 2.93Å; R185-K187 PolarHBondContact O-N 3.46Å; R185-F188 PolarHBondContact O-N 3.47Å; R185-F188 VanDerWaalsContact O-N 3.17Å
186D80.4Confident76.1Confident162 Ų162120.8 Ų120.887%0.86663%0.63SS**G310 helixtrans-71.9-13-179.2-55.7-20.4000113.9Y184Y184-D186 PolarHBondContact O-N 2.9Å
187K82.5Confident76.5Confident165 Ų165125.2 Ų125.272%0.71764%0.637SS**G310 helixtrans-93-11.8173.3-61-176.5-176.8-84.50112.9Y184 R185Y184-K187 HydrophobicContact CD1-CD 3.8Å; Y184-K187 HydrophobicContact CG-CD 4.16Å; Y184-K187 WeakPolarHBondContact O-CA 3.33Å; Y184-K187 WeakPolarHBondContact O-CB 3.36Å; Y184-K187 PolarHBondContact O-N 3.45Å; R185-K187 PolarHBondContact O-N 3.46Å
188F79.2Confident76.5Confident113 Ų113128.5 Ų128.550%0.49666%0.655SS.*SBendtrans-100.6148.3179.6-67.7-79000111.5L181 Y184 R185L181-F188 HydrophobicContact CD2-CE1 4.17Å; L181-F188 HydrophobicContact CD2-CE2 3.87Å; L181-F188 HydrophobicContact CD2-CZ 3.65Å; Y184-F188 WeakPolarHBondContact O-CD2 3.28Å; R185-F188 PolarHBondContact O-N 3.47Å; R185-F188 VanDerWaalsContact O-N 3.17Å
189T81.5Confident76Confident128 Ų128129.8 Ų129.879%0.78566%0.659SS**PPolyproline II helixtrans-65.2138.5168.5-56.10000108.1
190S75.8Confident75.4Confident91 Ų91135.6 Ų135.664%0.63668%0.68SS**PPolyproline II helixtrans-51.7143.717556.80000110.3K192S190-K192 VanDerWaalsContact C-N 3.31Å; S190-K192 PolarHBondContact O-N 3.41Å
191P73Confident74.7Confident138 Ų138135.1 Ų135.190%0.89668%0.681SS**  trans-59.695.8-178.721.7-31.3000109.6
192K78.4Confident74.3Confident178 Ų178136.4 Ų136.477%0.77470%0.698SS**  trans-90.7122.1172.7-177.4171.9-175.4167.90106.3S190 F194S190-K192 VanDerWaalsContact C-N 3.31Å; S190-K192 PolarHBondContact O-N 3.41Å; K192-F194 PolarHBondContact O-N 3.39Å
193L74.1Confident74.2Confident154 Ų154138.1 Ų138.181%0.80671%0.711SS**  trans-46.5119.3172.4-67173.5000108.6S195L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.09Å
194F69.7Low74Confident184 Ų184138.8 Ų138.881%0.80772%0.72SS**  trans-59.3100.5178.6176.5-102.2000108.2K192 P196K192-F194 PolarHBondContact O-N 3.39Å; F194-P196 HydrophobicContact CD1-CB 4.48Å; F194-P196 HydrophobicContact CD1-CG 4.3Å; F194-P196 HydrophobicContact CE1-CB 3.69Å; F194-P196 HydrophobicContact CE1-CG 3.84Å; F194-P196 HydrophobicContact CZ-CB 3.88Å; F194-P196 VanDerWaalsContact O-CD 3.24Å; F194-P196 WeakPolarHBondContact O-CD 3.4Å
195S69Low73.8Confident92 Ų92136.5 Ų136.564%0.64372%0.721SS**  trans-100.395.5170.7-65.60000105.8L193 R197L193-S195 VanDerWaalsContact C-N 3.35Å; L193-S195 PolarHBondContact O-N 3.09Å; S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 2.96Å
196P68.6Low73.8Confident89 Ų89137.1 Ų137.158%0.57873%0.728SS**  trans-56101.5-179.718.1-27.1000108.4F194 T198F194-P196 HydrophobicContact CD1-CB 4.48Å; F194-P196 HydrophobicContact CD1-CG 4.3Å; F194-P196 HydrophobicContact CE1-CB 3.69Å; F194-P196 HydrophobicContact CE1-CG 3.84Å; F194-P196 HydrophobicContact CZ-CB 3.88Å; F194-P196 VanDerWaalsContact O-CD 3.24Å; F194-P196 WeakPolarHBondContact O-CD 3.4Å; P196-T198 PolarHBondContact O-N 2.93Å
197R66.3Low73.8Confident238 Ų238134 Ų13490%0.89871%0.711SS**  trans-73.8100.6168.9-97.3-175175.2-141-0.3105.1S195 M199S195-R197 VanDerWaalsContact C-N 3.34Å; S195-R197 PolarHBondContact O-N 2.96Å; R197-M199 PolarHBondContact O-N 3.45Å
198T68Low73.7Confident114 Ų114131.3 Ų131.370%0.69970%0.703SS**  trans-53.3111.8157.848.60000106.3P196 K200P196-T198 PolarHBondContact O-N 2.93Å; T198-K200 PolarHBondContact O-N 3.25Å
199M63.6Low73.9Confident175 Ų175130.4 Ų130.486%0.86271%0.711SS**  trans-52.9111.9166.7-86.7-175.859.400106.3R197 S201R197-M199 PolarHBondContact O-N 3.45Å; M199-S201 PolarHBondContact O-N 3.11Å
200K66.5Low74.1Confident203 Ų203128.3 Ų128.388%0.88370%0.695SS**  trans-71.676.7172.7-64.4-179.9179.7-179.50106.7T198 S202T198-K200 PolarHBondContact O-N 3.25Å; K200-S202 PolarHBondContact O-N 3.03Å
201S67.1Low74.6Confident79 Ų79136.5 Ų136.555%0.55271%0.712SS**  trans-67.2131.5165.555.60000107.4M199 V203M199-S201 PolarHBondContact O-N 3.11Å; S201-V203 PolarHBondContact O-N 3.12Å; S201-V203 VanDerWaalsContact O-N 3.09Å
202S70.8Confident75.2Confident123 Ų123135.4 Ų135.486%0.8671%0.706SS**SBendtrans-66.3-2.3170.854.80000113.2K200 P204K200-S202 PolarHBondContact O-N 3.03Å; S202-P204 WeakPolarHBondContact O-CD 3.4Å
203V75Confident75.8Confident103 Ų103131.5 Ų131.562%0.62469%0.687SS**SBendtrans-76.9118.7178.3-1730000109S201S201-V203 PolarHBondContact O-N 3.12Å; S201-V203 VanDerWaalsContact O-N 3.09Å
204P77.9Confident76.4Confident99 Ų99130.8 Ų130.864%0.64368%0.684SS**PPolyproline II helixtrans-61.9142173.726.6-33.3000110S202 K206 I208S202-P204 WeakPolarHBondContact O-CD 3.4Å; P204-K206 PolarHBondContact O-N 3.09Å; P204-I208 HydrophobicContact CB-CG2 4.39Å
205S79.4Confident77Confident66 Ų66124.9 Ų124.946%0.46266%0.664SS.*PPolyproline II helixtrans-63.7134.4179.166.40000110.2L207 I208S205-L207 PolarHBondContact O-N 2.92Å; S205-I208 WeakPolarHBondContact O-CB 3.35Å; S205-I208 WeakPolarHBondContact O-CG2 3.17Å; S205-I208 PolarHBondContact O-N 2.93Å; S205-I208 PolarHBondContact OG-N 3.35Å
206K83.5Confident77.6Confident185 Ų185125.5 Ų125.580%0.80467%0.666SS**G310 helixtrans-55-26.5172.2-75-177.6178.8178.70112.1P204 I208 S209P204-K206 PolarHBondContact O-N 3.09Å; K206-I208 PolarHBondContact O-N 2.8Å; K206-S209 PolarHBondContact O-N 2.9Å; K206-S209 PolarHBondContact O-OG 3.35Å
207L81.1Confident78.1Confident96 Ų96130.4 Ų130.450%0.50368%0.679SS.*G310 helixtrans-56.8-36.1173.6-62.7177.7000112.5S205 S209 L210 Y213S205-L207 PolarHBondContact O-N 2.92Å; L207-S209 PolarHBondContact O-N 3.46Å; L207-L210 HydrophobicContact CD2-CD1 4.03Å; L207-L210 PolarHBondContact O-N 2.9Å; L207-Y213 HydrophobicContact CB-CD1 4.3Å; L207-Y213 HydrophobicContact CB-CE1 4.41Å; L207-Y213 HydrophobicContact CB-CG 4.37Å; L207-Y213 WeakPolarHBondContact O-CB 3.4Å; L207-Y213 WeakPolarHBondContact O-CD1 3.38Å
208I80.3Confident78.3Confident109 Ų109130.5 Ų130.556%0.55968%0.679SS**G310 helixtrans-66.6-18.8178.8-144.9167.9000113.2P204 S205 K206P204-I208 HydrophobicContact CB-CG2 4.39Å; S205-I208 WeakPolarHBondContact O-CB 3.35Å; S205-I208 WeakPolarHBondContact O-CG2 3.17Å; S205-I208 PolarHBondContact O-N 2.93Å; S205-I208 PolarHBondContact OG-N 3.35Å; K206-I208 PolarHBondContact O-N 2.8Å
209S82.3Confident77.9Confident94 Ų94131.5 Ų131.566%0.65769%0.685SS**G310 helixtrans-91.9-11.3179.5740000113.8K206 L207K206-S209 PolarHBondContact O-N 2.9Å; K206-S209 PolarHBondContact O-OG 3.35Å; L207-S209 PolarHBondContact O-N 3.46Å
210L86.9Confident77.5Confident85 Ų85126.6 Ų126.645%0.44568%0.679SS.*  trans-79.9129.2-178.8-66.2178.1000110.7L207 C212 Y213L207-L210 HydrophobicContact CD2-CD1 4.03Å; L207-L210 PolarHBondContact O-N 2.9Å; L210-C212 PolarHBondContact O-N 3Å; L210-C212 VanDerWaalsContact O-N 3.11Å; L210-Y213 PolarHBondContact O-N 3.36Å
211R84.5Confident76.5Confident262 Ų262128.3 Ų128.399%0.98968%0.68SS**THydrogen-bonded Turntrans-60.2-23.6179.9-140.2178.9-161.6171.74.5113.7
212C86.9Confident75.3Confident115 Ų115135.9 Ų135.978%0.77770%0.697SS**THydrogen-bonded Turntrans-89-9.2179.156.50000114L210L210-C212 PolarHBondContact O-N 3Å; L210-C212 VanDerWaalsContact O-N 3.11Å
213Y90.5Very high74.4Confident96 Ų96138.7 Ų138.738%0.37670%0.696SS.*  trans-92116.7180-177.1-110.7000110.3L207 L210 P215L207-Y213 HydrophobicContact CB-CD1 4.3Å; L207-Y213 HydrophobicContact CB-CE1 4.41Å; L207-Y213 HydrophobicContact CB-CG 4.37Å; L207-Y213 WeakPolarHBondContact O-CB 3.4Å; L207-Y213 WeakPolarHBondContact O-CD1 3.38Å; L210-Y213 PolarHBondContact O-N 3.36Å; Y213-P215 HydrophobicContact CD1-CB 4.36Å; Y213-P215 HydrophobicContact CE1-CB 3.71Å; Y213-P215 HydrophobicContact CE1-CG 4.39Å; Y213-P215 WeakPolarHBondContact O-CD 3.28Å
214N86.8Confident73.1Confident140 Ų140139.2 Ų139.275%0.74970%0.704SS**  trans-105.594.4175.1-152.5-0.1000108.1
215P81.7Confident71.3Confident60 Ų60142.5 Ų142.539%0.3972%0.717SS.*  trans-57.4143.5-173.720.6-30.8000111.1Y213 K217Y213-P215 HydrophobicContact CD1-CB 4.36Å; Y213-P215 HydrophobicContact CE1-CB 3.71Å; Y213-P215 HydrophobicContact CE1-CG 4.39Å; Y213-P215 WeakPolarHBondContact O-CD 3.28Å; P215-K217 PolarHBondContact O-N 3.47Å; P215-K217 VanDerWaalsContact O-N 3.12Å
216P82.5Confident69.7Low105 Ų105144.4 Ų144.468%0.68273%0.73SS**  trans-53.2121.7177.5-25.833.5000110.9R218P216-R218 PolarHBondContact O-N 2.81Å
217K79.3Confident67.5Low192 Ų192145.3 Ų145.384%0.83573%0.734SS**  trans-62.3108.4177.3-67.2-177.9-179.1179.20108.3P215 T219P215-K217 PolarHBondContact O-N 3.47Å; P215-K217 VanDerWaalsContact O-N 3.12Å; K217-T219 PolarHBondContact O-N 3.44Å; K217-T219 VanDerWaalsContact O-N 3.09Å
218R69.6Low65.6Low239 Ų239147.4 Ų147.490%0.90275%0.75SS**  trans-70.1108.1173.4-59.1-175.591.2110.11.2107.3P216 G220P216-R218 PolarHBondContact O-N 2.81Å; R218-G220 PolarHBondContact O-N 3.31Å
219T59.8Low63.6Low135 Ų135149.2 Ų149.283%0.82876%0.756SS**  trans-60.9116.7162.847.10000106.6K217 R221K217-T219 PolarHBondContact O-N 3.44Å; K217-T219 VanDerWaalsContact O-N 3.09Å; T219-R221 PolarHBondContact O-N 2.88Å
220G56.1Low61.7Low72 Ų72150.7 Ų150.774%0.74276%0.756SS**  trans-59109.918000000109.5R218 R222R218-G220 PolarHBondContact O-N 3.31Å; G220-R222 PolarHBondContact O-N 2.96Å; G220-R222 VanDerWaalsContact O-N 3.1Å
221R44.8Very low59.4Low239 Ų239153.1 Ų153.190%0.90277%0.769SS**  trans-67.1110.1169.8-153.6-179.8-151.4-125.65.9106.2T219 Q223T219-R221 PolarHBondContact O-N 2.88Å; R221-Q223 PolarHBondContact O-N 3.48Å; R221-Q223 VanDerWaalsContact O-N 3.07Å
222R42.8Very low57.5Low238 Ų238146 Ų14690%0.89876%0.755SS**  trans-46.9114.4171-70.4-174.3174.8-170.6-1.3108.2G220G220-R222 PolarHBondContact O-N 2.96Å; G220-R222 VanDerWaalsContact O-N 3.1Å
223Q51Low55.2Low183 Ų183149.7 Ų149.786%0.85576%0.758SS**  trans-74.2123.6164.3-73.5-172.6-8.400106.4R221 D225R221-Q223 PolarHBondContact O-N 3.48Å; R221-Q223 VanDerWaalsContact O-N 3.07Å; Q223-D225 PolarHBondContact O-N 2.89Å
224S47.8Very low52.6Low113 Ų113149.6 Ų149.679%0.7978%0.777SS**  trans-60126.7173.146.50000109.9S226S224-S226 PolarHBondContact O-N 3.45Å
225D39.7Very low50.3Low169 Ų169148.2 Ų148.290%0.90477%0.773SS**  trans-61101.8173.3-64.7-53.8000110.7Q223Q223-D225 PolarHBondContact O-N 2.89Å
226S46Very low48.4Very low106 Ų106153 Ų15374%0.74179%0.792SS**  trans-119.692.8156.769.10000109.1S224 V228S224-S226 PolarHBondContact O-N 3.45Å; S226-V228 PolarHBondContact O-N 3.3Å; S226-V228 VanDerWaalsContact O-N 3.11Å
227K37.4Very low46.3Very low203 Ų203156.2 Ų156.288%0.88380%0.798SS**  trans-50.499.1168.4-171.9177.2-173.5179.20110.9
228V41.6Very low44.3Very low140 Ų140152 Ų15285%0.84879%0.792SS**  trans-123.9109.6155.7-175.80000107S226S226-V228 PolarHBondContact O-N 3.3Å; S226-V228 VanDerWaalsContact O-N 3.11Å
229H38.2Very low43.1Very low147 Ų147150.4 Ų150.468%0.68179%0.792SS**  trans-95.7139.2-172.9172.159.6000109.8
230L42.9Very low42Very low126 Ų126153 Ų15366%0.6679%0.792SS**  trans73.5132.7159.4-112.450.5000115.6
231D37.7Very low41.3Very low135 Ų135155.2 Ų155.272%0.72279%0.793SS**  cis-165.1171.317.4-152.8-12.7000108.9
232V45.1Very low40.9Very low114 Ų114148.7 Ų148.769%0.69179%0.79SS**  trans96.294.1163.5-162.30000119
233K37.8Very low40.9Very low191 Ų191146.5 Ų146.583%0.8379%0.79SS**  trans7297.1141.3-70.6176.4178.9174.80120
234A35.3Very low40.1Very low94 Ų94142.5 Ų142.578%0.77779%0.789SS**  trans-71.9126.7148.800000110.9
235V39.3Very low39.4Very low111 Ų111143 Ų14367%0.67379%0.79SS**  trans-102.495.8161.3176.40000107.4
236M42Very low39.1Very low161 Ų161141.6 Ų141.679%0.79379%0.788SS**  trans-73.7119.6164.8-76.1-83.1-172.400108.6
237H37.6Very low38.7Very low172 Ų172142.3 Ų142.380%0.79679%0.788SS**  trans-101.181.9161.8-73.2-52000109.4
238S38.7Very low38.9Very low103 Ų103139 Ų13972%0.7278%0.78SS**  trans-104.2100.9155.350.10000108K240S238-K240 PolarHBondContact O-N 3.16Å
239K43.2Very low38.8Very low206 Ų206138.1 Ų138.190%0.89678%0.78SS**  trans-90.1100.7164.2-86.2-172.5176.1179.90108.5
240K37.8Very low38.7Very low189 Ų189134.3 Ų134.382%0.82278%0.781SS**  trans-49.7140.1163.7-167.1178-174-179.10111.4S238S238-K240 PolarHBondContact O-N 3.16Å
241P40.5Very low38.6Very low120 Ų120135.8 Ų135.878%0.77979%0.789SS**  trans-81.7130.4158.131.5-26.2000109
242A36.9Very low38.5Very low101 Ų101138 Ų13884%0.83579%0.794SS**  trans-96107.717100000108.4
243E41.7Very low38.2Very low193 Ų193135.9 Ų135.990%0.90279%0.789SS**  trans-76.7130.6161-75.1175.5159.200108.8
244A35.5Very low38.4Very low99 Ų99133.6 Ų133.682%0.81878%0.784SS**  trans-117.5101.2166.900000107.7
245C32.7Very low38.7Very low122 Ų122135 Ų13582%0.82478%0.779SS**  trans-152.797.6159.2-93.60000107.2
246T33.6Very low38.4Very low140 Ų140136 Ų13686%0.85978%0.78SS**  trans-171.2111.8139.644.60000108.8
247T36.7Very low38.3Very low121 Ų121133.7 Ų133.774%0.74279%0.787SS**  trans-64.4130.714241.70000109.1
248N41.4Very low38.2Very low135 Ų135134.5 Ų134.572%0.72279%0.788SS**  trans75100.8144.6-49.8-14.6000115.9
249S40.7Very low38.1Very low120 Ų120137.2 Ų137.284%0.83979%0.789SS**  89.9125.892.168.70000110.5
250G35.1Very low37.7Very low67 Ų67134 Ų13469%0.69178%0.777SS**  cis175.4176.86.500000108
251L40.7Very low37.4Very low158 Ų158132.9 Ų132.983%0.82778%0.775SS**  trans7999.5174-52.5172.6000113.4
252E36.6Very low37.3Very low181 Ų181132.2 Ų132.285%0.84677%0.773SS**  61.2126.781.4-67.7-155.8-167.800110.3
253A38.5Very low37.1Very low69 Ų69134.4 Ų134.457%0.5777%0.77SS**  cis-173.7154.721.200000108.9
254I42.2Very low36.8Very low144 Ų144130.9 Ų130.974%0.73876%0.763SS**  trans79.3104.9130-64.9168.3000118.7
255D40.5Very low36.7Very low123 Ų123133.6 Ų133.666%0.65876%0.762SS**  85.4112.5122.2-66.6-2000123.3
256N34.6Very low36.7Very low132 Ų132137.5 Ų137.571%0.70676%0.76SS**  65.894.7117.9-54.6-31000118.7
257A38.6Very low36.6Very low113 Ų113138.6 Ų138.693%0.93476%0.755SS**  trans-86.1101.4149.500000110.1
258K35.6Very low36.4Very low189 Ų189141.2 Ų141.282%0.82276%0.759SS**  trans-93.8134.7147.8-69.3-179.1177.3-177.80107.5
259H36.3Very low36Very low159 Ų159140.5 Ų140.574%0.73676%0.759SS**  trans-178.8115.7134.6-116.2-91.6000107.2
260E34.9Very low35.5Very low138 Ų138139.7 Ų139.765%0.64575%0.75SS**  57.910482-96.3-179.5-158.100110.6
261E32.3Very low35.6Very low167 Ų167145.8 Ų145.878%0.7876%0.758SS**  100.8148.679.6-98.4-170.9175.700110.5
262S38.2Very low35.2Very low105 Ų105143 Ų14373%0.73475%0.751SS**  trans93.493.5168.4-39.30000115.2
263N33Very low35.1Very low147 Ų147141.6 Ų141.679%0.78674%0.744SS**  77.1124.778.8-90.7-20.7000115.3
264T35.7Very low35.1Very low120 Ų120145.7 Ų145.774%0.73676%0.756SS**  trans100.5113.3137.463.80000119.6
265L33.1Very low34.6Very low155 Ų155145.5 Ų145.581%0.81276%0.756SS**  96.7131.2124.7-136.874.5000119.2
266R31.4Very low34.2Very low204 Ų204150 Ų15077%0.7776%0.764SS**  trans85.297.4142.3-135.8160.6175-93.9-6.8114.9
267E32.3Very low34.1Very low164 Ų164154.9 Ų154.977%0.76677%0.773SS**  63.2123.789.4-73.6-176.616900113.7
268E32.1Very low33.7Very low176 Ų176156.8 Ų156.882%0.82276%0.764SS**  trans76.6148.7168.5-59-176.6155.700117.9
269T32.7Very low33.6Very low119 Ų119151.4 Ų151.473%0.7375%0.75SS**  trans104111.1158.971.60000118.8
270T31.4Very low33.7Very low103 Ų103150.8 Ų150.863%0.63275%0.752SS**  64135.6121.959.40000120.2
271F36.5Very low33.7Very low196 Ų196154.4 Ų154.486%0.8676%0.761SS**  -158.978.6127.2-104.6-73.8000110.3
272S32.7Very low33.7Very low99 Ų99151.3 Ų151.369%0.69276%0.759SS**  trans-97.681.2165.653.30000109.3
273H34.6Very low33.8Very low152 Ų152151.4 Ų151.470%0.70476%0.756SS**  trans-167.3121177.6-88.8-68.5000104.3
274L38.4Very low34Very low155 Ų155153.2 Ų153.281%0.81276%0.758SS**  cis-158.6131.136.8-71.8166.1000111.7
275N31.4Very low34.1Very low140 Ų140154.1 Ų154.175%0.74976%0.758SS**  trans-18.5135.6146.2-94.4-42.7000118.7
276R32.4Very low34.4Very low218 Ų218154.2 Ų154.282%0.82376%0.758SS**  48.2107.5113.3-173.1-166.6-72.1-135.9-3116.7
277R32.6Very low34.6Very low233 Ų233151 Ų15188%0.87976%0.755SS**  trans-174.1109.2133-107171.9179.3-167.91109.2
278M30.3Very low34.8Very low154 Ų154149.6 Ų149.676%0.75976%0.76SS**  91.2118.691.7-81.5-64-61.500112.3
279S33.5Very low35Very low76 Ų76144.3 Ų144.353%0.53174%0.742SS.*  trans-15.4146.9159.462.80000117.6
280N38Very low35.3Very low145 Ų145148 Ų14878%0.77575%0.751SS**  -163.2118.5122.5-82.7-30000110.6
281Y35.5Very low35.5Very low214 Ų214149.7 Ų149.784%0.83975%0.751SS**  28.5139.7129.5-75.9-87.2000118.5
282S31.8Very low35.5Very low103 Ų103152.2 Ų152.272%0.7276%0.755SS**  cis-177.9159.327.8-157.40000109.2
283P39.7Very low35.4Very low106 Ų106156.9 Ų156.969%0.68876%0.758SS**  trans-96.6160-170.837.3-29.5000113.2
284K38.9Very low35.3Very low186 Ų186157.6 Ų157.681%0.80977%0.765SS**  trans-176.1131155.6-102.4153.9-169.3-175.20113.1
285N37.9Very low35.1Very low138 Ų138154.8 Ų154.874%0.73876%0.758SS**  trans76.2128.6139-61.9-6000116.8
286I39.2Very low35.2Very low158 Ų158159.6 Ų159.681%0.8177%0.766SS**  cis-165.8145.626.8-92.1142.7000108.2
287L34.5Very low35.3Very low136 Ų136160.5 Ų160.571%0.71277%0.769SS**  trans-62.9167.4173.2-121.383.9000113.3
288P37.8Very low35.3Very low134 Ų134156.4 Ų156.487%0.8777%0.765SS**  -134.7140.298.313.18.7000115.8
289S34.7Very low35.5Very low65 Ų65159.9 Ų159.946%0.45577%0.769SS.*  trans-80.7139.6174.1163.40000111.4
290H40.7Very low35.7Very low196 Ų196163.8 Ų163.891%0.90778%0.779SS**  trans-135.192.2142.3-83.5-65.2000109.8
291H35.2Very low35.3Very low140 Ų140163.6 Ų163.665%0.64878%0.778SS**  trans-60.4128.4158.9-100.8-67.6000110.9
292R36.1Very low35.3Very low249 Ų249162.5 Ų162.594%0.9478%0.781SS**  trans-127.6105137.7-100.4-171.6-167.4-177.85.4109.3
293R31.1Very low35.3Very low196 Ų196163 Ų16374%0.7478%0.784SS**  trans-68.7172158-73.7179.1-177.8157.21.8109.6
294I32.4Very low34.8Very low168 Ų168165.9 Ų165.986%0.86279%0.79SS**  trans95.7122.5161.3-51.3153000111
295S33.8Very low34.7Very low95 Ų95161.3 Ų161.366%0.66478%0.782SS**  cis-156.814517.3-168.10000109.8R297S295-R297 PolarHBondContact O-N 3.46Å
296R33.5Very low34.5Very low241 Ų241159.4 Ų159.491%0.90979%0.785SS**  trans-53.8129.1152.6-66.6179171.8-172.1-4108.7
297R34.8Very low34.2Very low238 Ų238159 Ų15990%0.89878%0.78SS**  trans-134.9104.2155.5-103-174.2-169.5141.83.2108.5S295S295-R297 PolarHBondContact O-N 3.46Å
298N31.8Very low34.5Very low146 Ų146160.6 Ų160.678%0.78179%0.789SS**  trans-66.5128.7161-158.10.3000108.2
299R34.7Very low34.7Very low227 Ų227159.4 Ų159.486%0.85777%0.774SS**  trans-163.186.6160.9-98.8-174.6-176.4173.8-1.2105.2
300Q38.2Very low35Very low159 Ų159158.9 Ų158.974%0.74378%0.779SS**  45.3107100.2-83.5175.2-27.500113.7
301N29.3Very low35.1Very low140 Ų140152.5 Ų152.575%0.74977%0.767SS**  trans58.3112.7136.6-56.3-12.5000118.2
302Q35.1Very low35.8Very low192 Ų192152.6 Ų152.690%0.89777%0.771SS**  -154.3112.8124.5-105.6159.682.900109.6
303S30.9Very low36.6Very low112 Ų112143.6 Ų143.678%0.78374%0.742SS**  trans-63132.916747.30000110.6
304M30.9Very low37.9Very low167 Ų167136.8 Ų136.882%0.82372%0.72SS**  trans-137.1107.3164.7-79-63.5-71.600110.6
305S37Very low39.4Very low90 Ų90136.2 Ų136.263%0.62971%0.711SS**  trans36.610915159.80000120.3E307S305-E307 PolarHBondContact O-N 2.86Å
306A33.4Very low41.3Very low98 Ų98133.7 Ų133.781%0.8170%0.7SS**  trans-80.786.8160.600000110.4
307E33.3Very low43Very low151 Ų151127.8 Ų127.871%0.70668%0.681SS**  trans-139.978.7172.3-76.9-178.6165.500109.1S305S305-E307 PolarHBondContact O-N 2.86Å
308N39Very low44.7Very low168 Ų168118.7 Ų118.790%0.89865%0.652SS**SBendtrans179.930.4157.1-102.1-49.1000112.7
309I42.7Very low46.9Very low109 Ų109118.5 Ų118.556%0.55964%0.644SS**  trans-117.188.3172.9-44.2-179.9000104.1L312 N313I309-L312 HydrophobicContact CG2-CB 3.75Å; I309-N313 WeakPolarHBondContact CG2-OD1 3.35Å; I309-N313 PolarHBondContact O-ND2 3.1Å; I309-N313 PolarHBondContact O-OD1 2.93Å
310G40.2Very low48.8Very low54 Ų54114.1 Ų114.156%0.55763%0.634SS**SBendtrans-110-31.2172.300000112.5N313G310-N313 VanDerWaalsContact CA-OD1 3.24Å; G310-N313 WeakPolarHBondContact CA-OD1 3.35Å; G310-N313 PolarHBondContact N-OD1 3.33Å; G310-N313 PolarHBondContact O-OD1 3.45Å
311G43.6Very low50.4Low63 Ų63109.5 Ų109.565%0.64961%0.61SS**SBendtrans-91.2-29.9-178.500000115.3
312L49.3Very low52.5Low141 Ų141106.6 Ų106.674%0.73859%0.594SS**Hα-helixtrans-82.7-25.2-175.4-88.9155.1000113.5I309 F315I309-L312 HydrophobicContact CG2-CB 3.75Å; L312-F315 PolarHBondContact O-N 3.29Å
313N53.8Low54.3Low61 Ų61102.7 Ų102.733%0.32658%0.579SS.*Hα-helixtrans-73.8-26.6178.217.1-4.7000112I309 G310 F315 G316 K317I309-N313 WeakPolarHBondContact CG2-OD1 3.35Å; I309-N313 PolarHBondContact O-ND2 3.1Å; I309-N313 PolarHBondContact O-OD1 2.93Å; G310-N313 VanDerWaalsContact CA-OD1 3.24Å; G310-N313 WeakPolarHBondContact CA-OD1 3.35Å; G310-N313 PolarHBondContact N-OD1 3.33Å; G310-N313 PolarHBondContact O-OD1 3.45Å; N313-F315 VanDerWaalsContact C-N 3.29Å; N313-F315 PolarHBondContact O-N 3.45Å; N313-G316 PolarHBondContact O-N 2.92Å; N313-K317 VanDerWaalsContact O-CG 3.23Å; N313-K317 WeakPolarHBondContact O-CG 3.35Å; N313-K317 PolarHBondContact O-N 2.92Å
314N57.6Low56.5Low53 Ų53102.1 Ų102.128%0.28357%0.571SS.*Hα-helixtrans-66.6-34174.5-68.4-12.2000111.5K317 V318N314-K317 PolarHBondContact O-N 2.94Å; N314-V318 VanDerWaalsContact O-CG2 3.31Å; N314-V318 WeakPolarHBondContact O-CG2 3.31Å; N314-V318 PolarHBondContact O-N 3.44Å
315F64.7Low58.3Low155 Ų15597.3 Ų97.368%0.6855%0.548SS*.Hα-helixtrans-67.4-39.8174.4-147.9-90.6000112.2L312 N313 K319L312-F315 PolarHBondContact O-N 3.29Å; N313-F315 VanDerWaalsContact C-N 3.29Å; N313-F315 PolarHBondContact O-N 3.45Å; F315-K319 WeakPolarHBondContact O-CB 3.43Å; F315-K319 PolarHBondContact O-N 2.8Å; F315-K319 VanDerWaalsContact O-N 3.09Å
316G72.7Confident59.2Low42 Ų4299.5 Ų99.543%0.43356%0.56SS.*Hα-helixtrans-62.8-41.8172.400000112.6N313 K319 Q320N313-G316 PolarHBondContact O-N 2.92Å; G316-K319 PolarHBondContact O-N 2.86Å; G316-Q320 WeakPolarHBondContact O-CB 3.46Å; G316-Q320 PolarHBondContact O-N 2.98Å
317K70.5Confident60Low117 Ų11798.2 Ų98.251%0.50956%0.557SS.*Hα-helixtrans-65.3-45.2177.3-71.6170.5-174.1175.20112.4N313 N314 K319 Q320 W321N313-K317 VanDerWaalsContact O-CG 3.23Å; N313-K317 WeakPolarHBondContact O-CG 3.35Å; N313-K317 PolarHBondContact O-N 2.92Å; N314-K317 PolarHBondContact O-N 2.94Å; K317-K319 VanDerWaalsContact C-N 3.3Å; K317-K319 PolarHBondContact O-N 3.43Å; K317-Q320 PolarHBondContact O-N 3.3Å; K317-W321 WeakPolarHBondContact O-CB 3.35Å; K317-W321 PolarHBondContact O-N 3.28Å
318V71Confident60.8Low48 Ų4896 Ų9629%0.29155%0.55SS..Hα-helixtrans-62.2-40.5176.3172.70000110.6N314 W321 L322N314-V318 VanDerWaalsContact O-CG2 3.31Å; N314-V318 WeakPolarHBondContact O-CG2 3.31Å; N314-V318 PolarHBondContact O-N 3.44Å; V318-W321 PolarHBondContact O-N 3.44Å; V318-L322 HydrophobicContact CG1-CD1 4.37Å; V318-L322 WeakPolarHBondContact O-CG 3.23Å; V318-L322 PolarHBondContact O-N 3.19Å
319K76.1Confident60.9Low141 Ų14192.5 Ų92.561%0.61354%0.538SS*.Hα-helixtrans-67.1-39.4176.1-162.3174.9-174.8-179.30112.5F315 G316 K317 W321 N323F315-K319 WeakPolarHBondContact O-CB 3.43Å; F315-K319 PolarHBondContact O-N 2.8Å; F315-K319 VanDerWaalsContact O-N 3.09Å; G316-K319 PolarHBondContact O-N 2.86Å; K317-K319 VanDerWaalsContact C-N 3.3Å; K317-K319 PolarHBondContact O-N 3.43Å; K319-W321 VanDerWaalsContact C-N 3.35Å; K319-N323 PolarHBondContact O-N 3.31Å; K319-N323 PolarHBondContact O-ND2 3.1Å
320Q76.5Confident60.9Low136 Ų13692.5 Ų92.564%0.63655%0.554SS**Hα-helixtrans-64.9-40.3173.3-171.31765.800111.2G316 K317 N323 T324G316-Q320 WeakPolarHBondContact O-CB 3.46Å; G316-Q320 PolarHBondContact O-N 2.98Å; K317-Q320 PolarHBondContact O-N 3.3Å; Q320-N323 WeakPolarHBondContact O-CB 3.45Å; Q320-N323 PolarHBondContact O-N 2.85Å; Q320-T324 PolarHBondContact O-N 3.47Å
321W71Confident60.9Low62 Ų6295.1 Ų95.124%0.23556%0.559CS.*Hα-helixtrans-65-44.1177.4173.367.3000112.8K317 V318 K319 N323 T324 L325K317-W321 WeakPolarHBondContact O-CB 3.35Å; K317-W321 PolarHBondContact O-N 3.28Å; V318-W321 PolarHBondContact O-N 3.44Å; K319-W321 VanDerWaalsContact C-N 3.35Å; W321-N323 PolarHBondContact O-N 3.22Å; W321-N323 VanDerWaalsContact O-N 3.1Å; W321-T324 WeakPolarHBondContact CA-OG1 3.45Å; W321-T324 WeakPolarHBondContact O-CA 3.31Å; W321-T324 PolarHBondContact O-N 2.99Å; W321-T324 PolarHBondContact O-OG1 3.37Å; W321-L325 HydrophobicContact CZ2-CD2 4.34Å; W321-L325 PolarHBondContact O-N 3.42Å
322L72.7Confident60.6Low78 Ų78101.1 Ų101.141%0.40857%0.57SS.*Hα-helixtrans-55.9-28.9173.8-79168.2000112.6V318 L325 N328V318-L322 HydrophobicContact CG1-CD1 4.37Å; V318-L322 WeakPolarHBondContact O-CG 3.23Å; V318-L322 PolarHBondContact O-N 3.19Å; L322-L325 HydrophobicContact CD2-CD1 4.27Å; L322-N328 PolarHBondContact O-ND2 3.37Å
323N73.3Confident60Low111 Ų111103.9 Ų103.959%0.59458%0.576SS**Hα-helixtrans-82.5-15176.2-62.3-24.3000113.4K319 Q320 W321K319-N323 PolarHBondContact O-N 3.31Å; K319-N323 PolarHBondContact O-ND2 3.1Å; Q320-N323 WeakPolarHBondContact O-CB 3.45Å; Q320-N323 PolarHBondContact O-N 2.85Å; W321-N323 PolarHBondContact O-N 3.22Å; W321-N323 VanDerWaalsContact O-N 3.1Å
324T76.3Confident59.1Low99 Ų99106.1 Ų106.161%0.60759%0.594SS**Hα-helixtrans-91.8-7.1177.957.90000114.1Q320 W321Q320-T324 PolarHBondContact O-N 3.47Å; W321-T324 WeakPolarHBondContact CA-OG1 3.45Å; W321-T324 WeakPolarHBondContact O-CA 3.31Å; W321-T324 PolarHBondContact O-N 2.99Å; W321-T324 PolarHBondContact O-OG1 3.37Å
325L68.8Low57.9Low66 Ų66111.9 Ų111.935%0.34662%0.619SS.*SBendtrans-68.7134.5176.7-70.9170000111.2W321 L322 G327 N328W321-L325 HydrophobicContact CZ2-CD2 4.34Å; W321-L325 PolarHBondContact O-N 3.42Å; L322-L325 HydrophobicContact CD2-CD1 4.27Å; L325-G327 PolarHBondContact O-N 2.76Å; L325-N328 PolarHBondContact O-N 3.47Å
326P57.6Low56.5Low137 Ų137111.6 Ų111.689%0.8962%0.623SS**THydrogen-bonded Turntrans-60.5102.7173.5-15.427.3000109.6
327G49.9Very low54.9Low71 Ų71114.8 Ų114.873%0.73263%0.634SS**THydrogen-bonded Turntrans148.5-22.4-174.800000114L325L325-G327 PolarHBondContact O-N 2.76Å
328N48.9Very low52.8Low104 Ų104115.1 Ų115.156%0.55665%0.646SS**  trans-105.39.9-177.9-77.3-6.7000114.8L322 L325 A330L322-N328 PolarHBondContact O-ND2 3.37Å; L325-N328 PolarHBondContact O-N 3.47Å; N328-A330 PolarHBondContact O-N 2.92Å
329S41.2Very low50.9Low95 Ų95118.1 Ų118.166%0.66467%0.669SS**  trans-79.7113.8172.7175.40000110.6V331S329-V331 PolarHBondContact O-N 3.36Å
330A43.8Very low49Very low108 Ų108117.7 Ų117.789%0.89368%0.679SS**  trans-70.126175.400000114.2N328N328-A330 PolarHBondContact O-N 2.92Å
331V39.3Very low47.2Very low109 Ų109119.8 Ų119.866%0.66169%0.688SS**  trans-12777.5-172.2-1710000110.1S329S329-V331 PolarHBondContact O-N 3.36Å
332H38.4Very low45.1Very low190 Ų190121.9 Ų121.988%0.8871%0.711SS**  trans-169.384.4150.7-97.8-62.4000109
333K35.6Very low43.3Very low198 Ų198125.8 Ų125.886%0.86173%0.732SS**  trans-103.4103.2164.2-164.8-179.3-173.4-174.90106.6E335K333-E335 PolarHBondContact O-N 3.19Å
334P36.2Very low41.4Very low108 Ų108129.8 Ų129.870%0.70175%0.748SS**  trans-73.5112.2169.527.5-27.2000108I336P334-I336 PolarHBondContact O-N 3.15Å
335E31.5Very low39.6Very low175 Ų175133.9 Ų133.982%0.81876%0.76SS**  trans-61.6104.6166.5-176.3175.7-174.700108.9K333K333-E335 PolarHBondContact O-N 3.19Å
336I36.3Very low38.2Very low149 Ų149139.7 Ų139.776%0.76478%0.783SS**  trans-92.3102.4165.2-62.7177.8000106.8P334 T338P334-I336 PolarHBondContact O-N 3.15Å; I336-T338 PolarHBondContact O-N 3.01Å
337V37.7Very low37.2Very low108 Ų108140 Ų14066%0.65578%0.781SS**  trans-44.9119.1166.7174.30000109.4S339V337-S339 PolarHBondContact O-N 3.29Å
338T26.7Very low36.6Very low124 Ų124145.5 Ų145.576%0.76179%0.788SS**  trans-83.7108.7170.3-35.40000107.1I336I336-T338 PolarHBondContact O-N 3.01Å
339S32.3Very low36.2Very low112 Ų112150 Ų15078%0.78380%0.802SS**  trans-130.292.9163.9-85.20000108.9V337V337-S339 PolarHBondContact O-N 3.29Å
340T35.1Very low36.1Very low132 Ų132149.8 Ų149.881%0.8180%0.801SS**  trans-70114.6161.222.90000110.1
341Q38.5Very low35.7Very low180 Ų180154.4 Ų154.484%0.84180%0.802SS**  trans-169.6105.1142-111178.73.500106.9
342C28.1Very low35.7Very low106 Ų106153.5 Ų153.572%0.71681%0.805SS**  69.3104.6104-73.70000113.2
343N34.7Very low35.7Very low159 Ų159153.4 Ų153.485%0.8581%0.805SS**  176.9118104.4-76.4-21.9000110
344E32.1Very low35.9Very low196 Ų196153.3 Ų153.392%0.91681%0.805SS**  trans-63.1138.9160.1-66.8171.7159.400108.9
345E39.7Very low36Very low185 Ų185158.6 Ų158.686%0.86482%0.817SS**  trans159133.5137.3-159.7173.9178.700108.9
346K38.1Very low36.4Very low188 Ų188155.7 Ų155.782%0.81781%0.811SS**  trans88.667.3152.1-148.5177.8-167.21750120.2
347V37.3Very low36.4Very low143 Ų143157.6 Ų157.687%0.86781%0.81SS**  trans-151.377.9137.4-168.50000110.3
348E37.4Very low36.9Very low187 Ų187159.9 Ų159.987%0.87482%0.817SS**  trans-106.7100.9162.1-171.2176.1-153.800106.5
349K41Very low37.5Very low197 Ų197158.6 Ų158.686%0.85781%0.805SS**  trans154.586160.9-89.6167.1-178.9-178.80112.3
350S38Very low37.9Very low92 Ų92159.6 Ų159.664%0.64380%0.802SS**  trans156102.4155.756.60000104.4
351F35.1Very low38.3Very low205 Ų205160 Ų16090%0.89980%0.804SS**  -158.3103.866-91.2-99.1000107.6
352A40Very low38.4Very low89 Ų89157.6 Ų157.674%0.73680%0.797SS**  trans-85.4151.5157.700000108.5
353E38.1Very low39.3Very low188 Ų188161 Ų16188%0.87980%0.8SS**  trans66.498.2161.9-70.3177.3140.900118.5
354K39.4Very low39.7Very low197 Ų197162.5 Ų162.586%0.85780%0.802SS**  -159.776125.6-111172.8-176.3178.10109.9V356K354-V356 HydrophobicContact CG-CG2 4.35Å
355K39.6Very low40.1Very low218 Ų218161.4 Ų161.495%0.94880%0.799SS**  trans-10083.4151.1-80.8-167.8175.4-173.30106.4
356V40.3Very low40.1Very low114 Ų114159.3 Ų159.369%0.69179%0.793SS**  trans-98118.5168.81740000107.3K354K354-V356 HydrophobicContact CG-CG2 4.35Å
357Y35.4Very low40.6Very low190 Ų190154.1 Ų154.175%0.74578%0.78SS**  trans-52.1126.9168.7-151-93000110.5D359Y357-D359 HydrophobicContact CD1-CB 4.36Å; Y357-D359 HydrophobicContact CE1-CB 3.88Å; Y357-D359 VanDerWaalsContact CE1-OD2 3.24Å; Y357-D359 WeakPolarHBondContact CE1-OD2 3.41Å; Y357-D359 PolarHBondContact OH-OD2 3.21Å; Y357-D359 VanDerWaalsContact OH-OD2 3.07Å
358I47.6Very low41.3Very low155 Ų155156.2 Ų156.280%0.79578%0.777SS**  trans-135.791.3159.2-56.2-179.6000106.5
359D39.9Very low41.6Very low98 Ų98152.7 Ų152.752%0.52477%0.771SS.*  trans-74.7147.9154.9-105.6-29.7000108.5Y357Y357-D359 HydrophobicContact CD1-CB 4.36Å; Y357-D359 HydrophobicContact CE1-CB 3.88Å; Y357-D359 VanDerWaalsContact CE1-OD2 3.24Å; Y357-D359 WeakPolarHBondContact CE1-OD2 3.41Å; Y357-D359 PolarHBondContact OH-OD2 3.21Å; Y357-D359 VanDerWaalsContact OH-OD2 3.07Å
360N40.5Very low41.8Very low132 Ų132148 Ų14871%0.70676%0.759SS**  trans67.4114167.5-54.5-29.7000115.7
361T44.1Very low42.6Very low140 Ų140151.8 Ų151.886%0.85977%0.766SS**  -169.6142.589.6-17.90000110.8
362D41.1Very low43.8Very low131 Ų131147.4 Ų147.470%0.70175%0.752SS**  trans-42.7150.5175.3-76.8-63.2000117.9
363K46.2Very low44.7Very low178 Ų178149.5 Ų149.577%0.77475%0.747SS**  trans5395.6140.4-62.9172-172-177.60116
364Q43.1Very low46Very low189 Ų189143.8 Ų143.888%0.88373%0.732SS**  trans155.6100.9133.2-87.917696.700108
365M40.8Very low47.6Very low174 Ų174137.5 Ų137.586%0.85771%0.713SS**  trans-168.479.3146.3-75.1-14090.200108S367M365-S367 PolarHBondContact O-N 3.19Å
366L39.9Very low49.3Very low140 Ų140131.6 Ų131.673%0.73369%0.691SS**  trans-67.2106156.9173.471.5000107.7V832L366-V832 HydrophobicContact CD2-CB 4.04Å; L366-V832 HydrophobicContact CD2-CG1 3.64Å; L366-V832 HydrophobicContact CD2-CG2 3.43Å; L366-V832 VanDerWaalsContact CD2-CG2 3.43Å
367S47.6Very low51Low79 Ų79132.1 Ų132.155%0.55269%0.685SS**  trans-162.9109.7166.556.20000113.3M365M365-S367 PolarHBondContact O-N 3.19Å
368K51.9Low53.2Low187 Ų187128 Ų12881%0.81368%0.676SS**  trans75.9128.3151.3-57.3-179-179.5-179.50118.5T370K368-T370 PolarHBondContact O-N 3.01Å
369P43.3Very low54.9Low114 Ų114125.5 Ų125.574%0.7466%0.664SS**  trans-67.2109.1167.628.3-28.8000108.2
370T45.9Very low57Low99 Ų99127.1 Ų127.161%0.60767%0.666SS**  trans-59.4133.9176.114.10000110.8K368 N372 E373K368-T370 PolarHBondContact O-N 3.01Å; T370-N372 PolarHBondContact O-N 3.18Å; T370-E373 PolarHBondContact O-N 2.98Å
371E55.7Low59Low170 Ų170123 Ų12379%0.79465%0.645SS**THydrogen-bonded Turntrans-44.7-11.8-176.7-62.2171.3168.400116.6S375E371-S375 PolarHBondContact O-OG 3.1Å; E371-S375 VanDerWaalsContact O-OG 3.07Å
372N60.3Low61Low113 Ų113121.2 Ų121.260%0.60463%0.626SS**Hα-helixtrans-74.2-32.8179.3-62.6-23.4000113.5T370 S375 I376T370-N372 PolarHBondContact O-N 3.18Å; N372-S375 PolarHBondContact O-N 3.13Å; N372-I376 VanDerWaalsContact O-CG1 3.29Å; N372-I376 WeakPolarHBondContact O-CG1 3.28Å; N372-I376 PolarHBondContact O-N 3.2Å; N372-I376 VanDerWaalsContact O-N 3.14Å
373E58.8Low63.2Low133 Ų133119.3 Ų119.362%0.62162%0.62SS**Hα-helixtrans-71.6-42.3-178.3-68.6-173.8164.900112.1T370 S375 I376 E377T370-E373 PolarHBondContact O-N 2.98Å; E373-S375 VanDerWaalsContact C-N 3.27Å; E373-S375 PolarHBondContact O-N 2.96Å; E373-I376 PolarHBondContact O-N 3.46Å; E373-I376 VanDerWaalsContact O-N 3.17Å; E373-E377 PolarHBondContact O-N 2.85Å
374A64.3Low65.1Low68 Ų68113.2 Ų113.256%0.56260%0.595SS**Hα-helixtrans-61.7-36.8175.100000111.9N378A374-N378 VanDerWaalsContact O-CB 3.28Å; A374-N378 WeakPolarHBondContact O-CB 2.98Å; A374-N378 PolarHBondContact O-N 3.47Å
375S72.8Confident67.3Low66 Ų66107.5 Ų107.546%0.46257%0.566SS.*Hα-helixtrans-66.9-38.4175.9-61.60000112.1E371 N372 E373 L379E371-S375 PolarHBondContact O-OG 3.1Å; E371-S375 VanDerWaalsContact O-OG 3.07Å; N372-S375 PolarHBondContact O-N 3.13Å; E373-S375 VanDerWaalsContact C-N 3.27Å; E373-S375 PolarHBondContact O-N 2.96Å; S375-L379 WeakPolarHBondContact O-CB 3.3Å; S375-L379 VanDerWaalsContact O-CG 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.45Å; S375-L379 PolarHBondContact O-N 3.17Å
376I75.8Confident69.6Low93 Ų93103.9 Ų103.948%0.47755%0.55SS..Hα-helixtrans-68.9-42.5177.5-68.3164.9000111.1N372 E373 L379 K380N372-I376 VanDerWaalsContact O-CG1 3.29Å; N372-I376 WeakPolarHBondContact O-CG1 3.28Å; N372-I376 PolarHBondContact O-N 3.2Å; N372-I376 VanDerWaalsContact O-N 3.14Å; E373-I376 PolarHBondContact O-N 3.46Å; E373-I376 VanDerWaalsContact O-N 3.17Å; I376-L379 PolarHBondContact O-N 2.67Å; I376-K380 HydrophobicContact CG2-CD 4.32Å; I376-K380 WeakPolarHBondContact O-CG 3.27Å; I376-K380 PolarHBondContact O-N 3.23Å
377E76.4Confident71.9Confident125 Ų125103.4 Ų103.458%0.58454%0.542SS*.Hα-helixtrans-65.9-40.5176.4-170.7175.5-179.400111.6E373 K380 N381E373-E377 PolarHBondContact O-N 2.85Å; E377-K380 PolarHBondContact O-N 3.01Å; E377-N381 WeakPolarHBondContact O-CB 2.97Å; E377-N381 VanDerWaalsContact O-CG 3.25Å; E377-N381 PolarHBondContact O-N 2.84Å; E377-N381 PolarHBondContact O-ND2 2.78Å
378N80.4Confident74Confident104 Ų10499.7 Ų99.756%0.55652%0.516SS*.Hα-helixtrans-61.3-45.6174.9-168.537.4000112A374 K380 N381 E382A374-N378 VanDerWaalsContact O-CB 3.28Å; A374-N378 WeakPolarHBondContact O-CB 2.98Å; A374-N378 PolarHBondContact O-N 3.47Å; N378-K380 VanDerWaalsContact C-N 3.35Å; N378-K380 PolarHBondContact O-N 3.18Å; N378-N381 PolarHBondContact O-N 3.35Å; N378-E382 WeakPolarHBondContact O-CB 3.2Å; N378-E382 PolarHBondContact O-N 2.8Å
379L84Confident75.8Confident103 Ų10392.2 Ų92.254%0.53948%0.484SS..Hα-helixtrans-63.3-38.5175.6-74.1170.5000112.4S375 I376 E382 V383S375-L379 WeakPolarHBondContact O-CB 3.3Å; S375-L379 VanDerWaalsContact O-CG 3.28Å; S375-L379 WeakPolarHBondContact O-CG 3.45Å; S375-L379 PolarHBondContact O-N 3.17Å; I376-L379 PolarHBondContact O-N 2.67Å; L379-E382 PolarHBondContact O-N 3.26Å; L379-V383 VanDerWaalsContact O-CG2 3.27Å; L379-V383 WeakPolarHBondContact O-CG2 3.17Å; L379-V383 PolarHBondContact O-N 3.43Å
380K83.7Confident78Confident131 Ų13189.5 Ų89.557%0.5747%0.468SS*.Hα-helixtrans-63.4-44174.2-76.8175.3178.5179.80111.6I376 E377 N378 E382 V383 N384I376-K380 HydrophobicContact CG2-CD 4.32Å; I376-K380 WeakPolarHBondContact O-CG 3.27Å; I376-K380 PolarHBondContact O-N 3.23Å; E377-K380 PolarHBondContact O-N 3.01Å; N378-K380 VanDerWaalsContact C-N 3.35Å; N378-K380 PolarHBondContact O-N 3.18Å; K380-E382 VanDerWaalsContact C-N 3.33Å; K380-E382 PolarHBondContact O-N 3.37Å; K380-V383 PolarHBondContact O-N 2.98Å; K380-N384 WeakPolarHBondContact O-CB 3.28Å; K380-N384 VanDerWaalsContact O-CG 3.23Å; K380-N384 PolarHBondContact O-N 2.91Å; K380-N384 PolarHBondContact O-ND2 3.02Å
381N82.8Confident80.1Confident47 Ų4786.4 Ų86.425%0.25145%0.451SS..Hα-helixtrans-64.1-38.7177.1-71.1-21.2000111.6E377 N378 N384 Y385E377-N381 WeakPolarHBondContact O-CB 2.97Å; E377-N381 VanDerWaalsContact O-CG 3.25Å; E377-N381 PolarHBondContact O-N 2.84Å; E377-N381 PolarHBondContact O-ND2 2.78Å; N378-N381 PolarHBondContact O-N 3.35Å; N381-N384 PolarHBondContact O-N 3.4Å; N381-Y385 WeakPolarHBondContact O-CB 3.26Å; N381-Y385 PolarHBondContact O-N 2.81Å
382E85.5Confident81.7Confident101 Ų10178.4 Ų78.447%0.47241%0.413SS..Hα-helixtrans-66-44.4175-171.9176.7175.800111.9N378 L379 K380 N384 Y385 L386N378-E382 WeakPolarHBondContact O-CB 3.2Å; N378-E382 PolarHBondContact O-N 2.8Å; L379-E382 PolarHBondContact O-N 3.26Å; K380-E382 VanDerWaalsContact C-N 3.33Å; K380-E382 PolarHBondContact O-N 3.37Å; E382-N384 VanDerWaalsContact C-N 3.33Å; E382-N384 PolarHBondContact O-N 2.99Å; E382-Y385 WeakPolarHBondContact O-CB 3.41Å; E382-Y385 PolarHBondContact O-N 3.22Å; E382-L386 HydrophobicContact CG-CD1 4.48Å; E382-L386 WeakPolarHBondContact O-CG 3.3Å; E382-L386 PolarHBondContact O-N 2.65Å
383V88.3Confident83Confident92 Ų9275 Ų7556%0.55840%0.396SS*.Hα-helixtrans-62.2-41.5175.1170.70000111.3L379 K380 Y385 L386 K387L379-V383 VanDerWaalsContact O-CG2 3.27Å; L379-V383 WeakPolarHBondContact O-CG2 3.17Å; L379-V383 PolarHBondContact O-N 3.43Å; K380-V383 PolarHBondContact O-N 2.98Å; V383-Y385 VanDerWaalsContact C-N 3.35Å; V383-L386 PolarHBondContact O-N 2.71Å; V383-K387 WeakPolarHBondContact O-CB 3.47Å; V383-K387 PolarHBondContact O-N 2.98Å
384N87Confident84.5Confident50 Ų5072.5 Ų72.527%0.26739%0.387SS..Hα-helixtrans-65.1-39175.8-71.5-13.5000111.8K380 N381 E382 K387 F388 Y420 L422K380-N384 WeakPolarHBondContact O-CB 3.28Å; K380-N384 VanDerWaalsContact O-CG 3.23Å; K380-N384 PolarHBondContact O-N 2.91Å; K380-N384 PolarHBondContact O-ND2 3.02Å; N381-N384 PolarHBondContact O-N 3.4Å; E382-N384 VanDerWaalsContact C-N 3.33Å; E382-N384 PolarHBondContact O-N 2.99Å; N384-K387 PolarHBondContact O-N 2.75Å; N384-F388 WeakPolarHBondContact O-CB 3.24Å; N384-F388 PolarHBondContact O-N 3.34Å; N384-Y420 WeakPolarHBondContact CB-O 3.45Å; N384-Y420 PolarHBondContact ND2-O 3.28Å; N384-L422 HydrophobicContact CB-CD2 3.71Å; N384-L422 HydrophobicContact CB-CG 4.23Å
385Y87.9Confident85.8Confident68 Ų6870.7 Ų70.727%0.26737%0.368SS..Hα-helixtrans-63.4-45.8174.4173.5-99.3000112.3N381 E382 V383 K387 F388 I389 A430 H433N381-Y385 WeakPolarHBondContact O-CB 3.26Å; N381-Y385 PolarHBondContact O-N 2.81Å; E382-Y385 WeakPolarHBondContact O-CB 3.41Å; E382-Y385 PolarHBondContact O-N 3.22Å; V383-Y385 VanDerWaalsContact C-N 3.35Å; Y385-K387 VanDerWaalsContact C-N 3.33Å; Y385-K387 PolarHBondContact O-N 3.38Å; Y385-F388 WeakPolarHBondContact O-CB 3.43Å; Y385-F388 PolarHBondContact O-N 3.42Å; Y385-I389 HydrophobicContact CD1-CD1 4.1Å; Y385-I389 HydrophobicContact CD2-CD1 4.48Å; Y385-I389 HydrophobicContact CE1-CD1 3.37Å; Y385-I389 HydrophobicContact CE1-CG1 4.33Å; Y385-I389 HydrophobicContact CE2-CD1 3.83Å; Y385-I389 HydrophobicContact CE2-CG1 4.34Å; Y385-I389 PolarHBondContact O-N 2.95Å; Y385-I389 VanDerWaalsContact OH-CD1 3.31Å; Y385-I389 WeakPolarHBondContact OH-CD1 3.27Å; Y385-A430 HydrophobicContact CD2-CB 3.85Å; Y385-A430 HydrophobicContact CE2-CB 3.45Å; Y385-A430 VanDerWaalsContact CE2-CB 3.45Å; Y385-H433 PolarHBondContact OH-CD2 3.08Å
386L89.5Confident86.5Confident98 Ų9868.2 Ų68.251%0.51335%0.35SS..Hα-helixtrans-63.2-40.1176.5-69.8174.4000111.7E382 V383 F388 I389 S390E382-L386 HydrophobicContact CG-CD1 4.48Å; E382-L386 WeakPolarHBondContact O-CG 3.3Å; E382-L386 PolarHBondContact O-N 2.65Å; V383-L386 PolarHBondContact O-N 2.71Å; L386-F388 VanDerWaalsContact C-N 3.35Å; L386-I389 PolarHBondContact O-N 2.66Å; L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 3.06Å
387K89.2Confident87.1Confident131 Ų13169 Ų6957%0.5736%0.355SS*.Hα-helixtrans-64.1-39.9175.4-167.4-179.4176.3-171.80111.9V383 N384 Y385 S391 Y420V383-K387 WeakPolarHBondContact O-CB 3.47Å; V383-K387 PolarHBondContact O-N 2.98Å; N384-K387 PolarHBondContact O-N 2.75Å; Y385-K387 VanDerWaalsContact C-N 3.33Å; Y385-K387 PolarHBondContact O-N 3.38Å; K387-S391 PolarHBondContact O-N 3.06Å; K387-S391 VanDerWaalsContact O-N 3.1Å; K387-Y420 HydrophobicContact CB-CD1 4.18Å; K387-Y420 HydrophobicContact CD-CD1 3.94Å; K387-Y420 HydrophobicContact CD-CE1 4.36Å; K387-Y420 HydrophobicContact CG-CD1 3.76Å; K387-Y420 HydrophobicContact CG-CE1 3.97Å
388F90.4Very high87.7Confident1 Ų168.7 Ų68.70%0.00436%0.362CS..Hα-helixtrans-62.4-51.8174.5171.3-96.8000111.6N384 Y385 L386 S390 S391 V392 H414 Y420 L422 I427 A430 L431 I434N384-F388 WeakPolarHBondContact O-CB 3.24Å; N384-F388 PolarHBondContact O-N 3.34Å; Y385-F388 WeakPolarHBondContact O-CB 3.43Å; Y385-F388 PolarHBondContact O-N 3.42Å; L386-F388 VanDerWaalsContact C-N 3.35Å; F388-S390 PolarHBondContact O-N 3.43Å; F388-S391 PolarHBondContact O-N 3.07Å; F388-V392 HydrophobicContact CD1-CG2 4.39Å; F388-V392 HydrophobicContact CD2-CG2 4.35Å; F388-V392 HydrophobicContact CE1-CG2 3.99Å; F388-V392 HydrophobicContact CE2-CG2 3.97Å; F388-V392 HydrophobicContact CZ-CG2 3.77Å; F388-V392 WeakPolarHBondContact O-CG2 3.5Å; F388-V392 PolarHBondContact O-N 2.94Å; F388-H414 HydrophobicContact CE2-CB 3.98Å; F388-H414 HydrophobicContact CZ-CB 4.46Å; F388-Y420 HydrophobicContact CB-CD2 4.14Å; F388-Y420 HydrophobicContact CB-CG 4.09Å; F388-Y420 AromaticContact CD2-CD2 3.67Å; F388-Y420 HydrophobicContact CD2-CD2 3.67Å; F388-Y420 AromaticContact CD2-CE2 3.98Å; F388-Y420 HydrophobicContact CD2-CE2 3.98Å; F388-Y420 HydrophobicContact CD2-CG 4.43Å; F388-Y420 HydrophobicContact CG-CD2 4.41Å; F388-L422 HydrophobicContact CB-CD1 3.58Å; F388-L422 HydrophobicContact CD1-CD1 4.44Å; F388-L422 HydrophobicContact CD2-CD1 4.3Å; F388-L422 HydrophobicContact CG-CD1 3.86Å; F388-I427 HydrophobicContact CE2-CG2 4.14Å; F388-I427 HydrophobicContact CZ-CG2 3.99Å; F388-A430 HydrophobicContact CD1-CB 3.8Å; F388-A430 HydrophobicContact CE1-CB 3.54Å; F388-L431 HydrophobicContact CE1-CD2 4.2Å; F388-L431 HydrophobicContact CE1-CG 4.48Å; F388-L431 HydrophobicContact CZ-CD2 3.68Å; F388-L431 HydrophobicContact CZ-CG 4.03Å; F388-I434 HydrophobicContact CE1-CD1 4.13Å
389I89.2Confident88.1Confident30 Ų3068.5 Ų68.515%0.15435%0.353CS..Hα-helixtrans-59.7-47.6179.3-69-172.2000110.7Y385 L386 S391 V392 T393 I434Y385-I389 HydrophobicContact CD1-CD1 4.1Å; Y385-I389 HydrophobicContact CD2-CD1 4.48Å; Y385-I389 HydrophobicContact CE1-CD1 3.37Å; Y385-I389 HydrophobicContact CE1-CG1 4.33Å; Y385-I389 HydrophobicContact CE2-CD1 3.83Å; Y385-I389 HydrophobicContact CE2-CG1 4.34Å; Y385-I389 PolarHBondContact O-N 2.95Å; Y385-I389 VanDerWaalsContact OH-CD1 3.31Å; Y385-I389 WeakPolarHBondContact OH-CD1 3.27Å; L386-I389 PolarHBondContact O-N 2.66Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 3.07Å; I389-V392 PolarHBondContact O-N 3.32Å; I389-T393 HydrophobicContact CG2-CG2 4.1Å; I389-T393 WeakPolarHBondContact O-CG2 3.47Å; I389-T393 PolarHBondContact O-N 3.49Å; I389-T393 PolarHBondContact O-OG1 3.32Å; I389-I434 HydrophobicContact CG1-CD1 4.24Å
390S90Very high88.1Confident56 Ų5666.5 Ų66.539%0.39236%0.357SS..Hα-helixtrans-53-48.6177.8-171.90000110.7L386 F388 V392 T393 D394L386-S390 WeakPolarHBondContact O-CB 3.42Å; L386-S390 PolarHBondContact O-N 3.06Å; F388-S390 PolarHBondContact O-N 3.43Å; S390-V392 PolarHBondContact O-N 3.49Å; S390-T393 WeakPolarHBondContact CA-OG1 3.2Å; S390-T393 PolarHBondContact O-N 2.94Å; S390-T393 PolarHBondContact O-OG1 3.16Å; S390-D394 VanDerWaalsContact O-CB 3.28Å; S390-D394 WeakPolarHBondContact O-CB 3.19Å; S390-D394 PolarHBondContact O-N 2.91Å; S390-D394 VanDerWaalsContact O-OD2 3.05Å; S390-D394 PolarHBondContact OG-OD2 2.92Å
391S89.5Confident88Confident35 Ų3563.5 Ų63.525%0.24535%0.35CS..Hα-helixtrans-67.5-37.9-178-165.10000113.5K387 F388 I389 D395 H414 Y420K387-S391 PolarHBondContact O-N 3.06Å; K387-S391 VanDerWaalsContact O-N 3.1Å; F388-S391 PolarHBondContact O-N 3.07Å; I389-S391 VanDerWaalsContact C-N 3.27Å; I389-S391 PolarHBondContact O-N 3.07Å; S391-D395 WeakPolarHBondContact O-CB 3.23Å; S391-D395 PolarHBondContact O-N 3.44Å; S391-H414 PolarHBondContact OG-CE1 2.96Å; S391-Y420 WeakPolarHBondContact CB-OH 3.38Å; S391-Y420 PolarHBondContact OG-OH 3.5Å
392V89.3Confident88Confident1 Ų164.4 Ų64.41%0.00635%0.354CS..Hα-helixtrans-64.5-45.5175173.10000109.9F388 I389 S390 D395 V396 L411 H414 I434F388-V392 HydrophobicContact CD1-CG2 4.39Å; F388-V392 HydrophobicContact CD2-CG2 4.35Å; F388-V392 HydrophobicContact CE1-CG2 3.99Å; F388-V392 HydrophobicContact CE2-CG2 3.97Å; F388-V392 HydrophobicContact CZ-CG2 3.77Å; F388-V392 WeakPolarHBondContact O-CG2 3.5Å; F388-V392 PolarHBondContact O-N 2.94Å; I389-V392 PolarHBondContact O-N 3.32Å; S390-V392 PolarHBondContact O-N 3.49Å; V392-D395 PolarHBondContact O-N 2.94Å; V392-V396 HydrophobicContact CG1-CG2 4.48Å; V392-V396 WeakPolarHBondContact O-CB 3.36Å; V392-V396 VanDerWaalsContact O-CG2 3.23Å; V392-V396 WeakPolarHBondContact O-CG2 3.33Å; V392-V396 PolarHBondContact O-N 3.34Å; V392-L411 HydrophobicContact CG1-CD2 3.64Å; V392-H414 HydrophobicContact CG2-CB 3.73Å; V392-I434 HydrophobicContact CB-CD1 4.3Å; V392-I434 HydrophobicContact CG1-CD1 3.99Å
393T88.8Confident88Confident41 Ų4163 Ų6325%0.25235%0.352SS..Hα-helixtrans-66.7-38.5179.451.80000111.8I389 S390 V396 L397I389-T393 HydrophobicContact CG2-CG2 4.1Å; I389-T393 WeakPolarHBondContact O-CG2 3.47Å; I389-T393 PolarHBondContact O-N 3.49Å; I389-T393 PolarHBondContact O-OG1 3.32Å; S390-T393 WeakPolarHBondContact CA-OG1 3.2Å; S390-T393 PolarHBondContact O-N 2.94Å; S390-T393 PolarHBondContact O-OG1 3.16Å; T393-V396 PolarHBondContact O-N 2.85Å; T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CG 3.19Å; T393-L397 PolarHBondContact O-N 3.12Å
394D90.4Very high87.9Confident81 Ų8161.6 Ų61.643%0.43334%0.342SS..Hα-helixtrans-66.6-39.9177.2-68.9-28.1000111S390 L397 T398S390-D394 VanDerWaalsContact O-CB 3.28Å; S390-D394 WeakPolarHBondContact O-CB 3.19Å; S390-D394 PolarHBondContact O-N 2.91Å; S390-D394 VanDerWaalsContact O-OD2 3.05Å; S390-D394 PolarHBondContact OG-OD2 2.92Å; D394-L397 PolarHBondContact O-N 3.22Å; D394-T398 WeakPolarHBondContact O-CB 3.49Å; D394-T398 PolarHBondContact O-N 2.97Å; D394-T398 PolarHBondContact O-OG1 3.5Å
395D90.5Very high87.9Confident31 Ų3166.7 Ų66.717%0.16636%0.362CS..Hα-helixtrans-66.9-43.6175.5-165.613.4000111.3S391 V392 L397 T398 R399 I410 H414S391-D395 WeakPolarHBondContact O-CB 3.23Å; S391-D395 PolarHBondContact O-N 3.44Å; V392-D395 PolarHBondContact O-N 2.94Å; D395-L397 VanDerWaalsContact C-N 3.33Å; D395-L397 PolarHBondContact O-N 3.5Å; D395-T398 PolarHBondContact O-N 3.23Å; D395-R399 WeakPolarHBondContact O-CG 3.37Å; D395-R399 PolarHBondContact O-N 2.91Å; D395-R399 IonicContact OD1-CZ 3.54Å; D395-R399 IonicContact OD1-NE 2.84Å; D395-R399 PolarHBondContact OD1-NE 3.32Å; D395-R399 IonicContact OD1-NH2 3.53Å; D395-R399 PolarHBondContact OD1-NH2 2.93Å; D395-R399 IonicContact OD2-CZ 3.93Å; D395-R399 IonicContact OD2-NE 3.09Å; D395-R399 PolarHBondContact OD2-NE 2.86Å; D395-R399 IonicContact OD2-NH2 3.48Å; D395-R399 PolarHBondContact OD2-NH2 3.47Å; D395-I410 HydrophobicContact CB-CG2 3.9Å; D395-I410 WeakPolarHBondContact OD2-CG2 3.23Å; D395-H414 IonicContact OD2-NE2 3.95Å
396V88.3Confident87.8Confident13 Ų1366 Ų668%0.07936%0.363CS..Hα-helixtrans-57.7-44.4173.91720000111.7V392 T393 L402 V407 I410V392-V396 HydrophobicContact CG1-CG2 4.48Å; V392-V396 WeakPolarHBondContact O-CB 3.36Å; V392-V396 VanDerWaalsContact O-CG2 3.23Å; V392-V396 WeakPolarHBondContact O-CG2 3.33Å; V392-V396 PolarHBondContact O-N 3.34Å; T393-V396 PolarHBondContact O-N 2.85Å; V396-L402 HydrophobicContact CG1-CD2 3.35Å; V396-V407 HydrophobicContact CG1-CG2 4.3Å; V396-V407 HydrophobicContact CG2-CG1 4.47Å; V396-I410 HydrophobicContact CB-CD1 4.33Å; V396-I410 HydrophobicContact CG2-CB 4.34Å; V396-I410 HydrophobicContact CG2-CD1 3.81Å; V396-I410 HydrophobicContact CG2-CG2 3.92Å
397L88.6Confident87.7Confident109 Ų10961.6 Ų61.657%0.57134%0.34SS*.Hα-helixtrans-70.5-39.9178.5-70.2172.7000112.2T393 D394 D395 G400T393-L397 WeakPolarHBondContact O-CB 3.38Å; T393-L397 WeakPolarHBondContact O-CG 3.19Å; T393-L397 PolarHBondContact O-N 3.12Å; D394-L397 PolarHBondContact O-N 3.22Å; D395-L397 VanDerWaalsContact C-N 3.33Å; D395-L397 PolarHBondContact O-N 3.5Å; L397-G400 PolarHBondContact O-N 3.4Å
398T89.3Confident87.6Confident119 Ų11956 Ų5673%0.7332%0.316SS*.Hα-helixtrans-67.8-38.3-178.3-59.30000111.6D394 D395 G400D394-T398 WeakPolarHBondContact O-CB 3.49Å; D394-T398 PolarHBondContact O-N 2.97Å; D394-T398 PolarHBondContact O-OG1 3.5Å; D395-T398 PolarHBondContact O-N 3.23Å; T398-G400 PolarHBondContact O-N 3.24Å
399R88.3Confident87.5Confident101 Ų10159 Ų5938%0.38134%0.335SS..Hα-helixtrans-69.8-19.6176.3-66.9-170.2-162.1-150.55.9112.9D395 V401 I410 E413D395-R399 WeakPolarHBondContact O-CG 3.37Å; D395-R399 PolarHBondContact O-N 2.91Å; D395-R399 IonicContact OD1-CZ 3.54Å; D395-R399 IonicContact OD1-NE 2.84Å; D395-R399 PolarHBondContact OD1-NE 3.32Å; D395-R399 IonicContact OD1-NH2 3.53Å; D395-R399 PolarHBondContact OD1-NH2 2.93Å; D395-R399 IonicContact OD2-CZ 3.93Å; D395-R399 IonicContact OD2-NE 3.09Å; D395-R399 PolarHBondContact OD2-NE 2.86Å; D395-R399 IonicContact OD2-NH2 3.48Å; D395-R399 PolarHBondContact OD2-NH2 3.47Å; R399-V401 PolarHBondContact O-N 2.94Å; R399-I410 HydrophobicContact CB-CD1 4.43Å; R399-I410 HydrophobicContact CG-CD1 4.38Å; R399-E413 IonicContact CZ-OE1 2.83Å; R399-E413 IonicContact CZ-OE2 3.61Å; R399-E413 IonicContact NH1-OE1 3.11Å; R399-E413 PolarHBondContact NH1-OE1 3.01Å; R399-E413 IonicContact NH1-OE2 3.42Å; R399-E413 IonicContact NH2-OE1 2.97Å; R399-E413 PolarHBondContact NH2-OE1 3.41Å; R399-E413 IonicContact NH2-OE2 2.74Å; R399-E413 PolarHBondContact NH2-OE2 2.73Å
400G84.1Confident87.4Confident60 Ų6057.7 Ų57.762%0.61933%0.328SS*.  trans65.80.8173.500000115.5L397 T398L397-G400 PolarHBondContact O-N 3.4Å; T398-G400 PolarHBondContact O-N 3.24Å
401V80.9Confident87.3Confident68 Ų6855 Ų5541%0.41231%0.309SS..  trans-117.1101.2-178.6-173.70000109.1R399 T403 N406R399-V401 PolarHBondContact O-N 2.94Å; V401-T403 VanDerWaalsContact C-N 3.28Å; V401-T403 HydrophobicContact CG1-CG2 3.96Å; V401-T403 PolarHBondContact O-N 3.21Å; V401-N406 VanDerWaalsContact CB-ND2 3.31Å; V401-N406 WeakPolarHBondContact CB-ND2 3.42Å; V401-N406 WeakPolarHBondContact CG1-ND2 3.07Å; V401-N406 WeakPolarHBondContact O-CB 3.22Å
402L82.6Confident87.2Confident66 Ų6658.5 Ų58.535%0.34632%0.321SS..  trans-90.932.8-174.8-57.2172.8000112.7V396V396-L402 HydrophobicContact CG1-CD2 3.35Å
403T86.7Confident87.1Confident71 Ų7161 Ų6144%0.43633%0.333SS..  trans-75.2145.4173.356.10000109.8V401 K405 N406 V407V401-T403 VanDerWaalsContact C-N 3.28Å; V401-T403 HydrophobicContact CG1-CG2 3.96Å; V401-T403 PolarHBondContact O-N 3.21Å; T403-K405 PolarHBondContact O-N 3.01Å; T403-K405 VanDerWaalsContact O-N 3.16Å; T403-N406 PolarHBondContact O-N 3.47Å; T403-N406 WeakPolarHBondContact OG1-CB 3.26Å; T403-N406 PolarHBondContact OG1-N 2.87Å; T403-N406 PolarHBondContact OG1-OD1 2.99Å; T403-V407 PolarHBondContact O-N 3.48Å
404D84.9Confident87Confident64 Ų6459.3 Ų59.334%0.34232%0.322SS..Hα-helixtrans-55.6-37.1-178.5-69.7-18.8000112.3N406 N408 V440D404-N406 PolarHBondContact O-N 2.99Å; D404-N408 VanDerWaalsContact O-CB 3.26Å; D404-N408 WeakPolarHBondContact O-CB 3.44Å; D404-N408 PolarHBondContact O-N 3.31Å; D404-N408 PolarHBondContact O-ND2 3.42Å; D404-N408 VanDerWaalsContact O-ND2 3.12Å; D404-V440 HydrophobicContact CB-CG1 3.98Å
405K87.1Confident86.8Confident156 Ų15658 Ų5868%0.67831%0.314SS*.Hα-helixtrans-60-44.7173.2-175.2175.3-178.9175.70112.5T403 T409T403-K405 PolarHBondContact O-N 3.01Å; T403-K405 VanDerWaalsContact O-N 3.16Å; K405-T409 WeakPolarHBondContact O-CB 3.45Å; K405-T409 PolarHBondContact O-N 3.4Å; K405-T409 PolarHBondContact O-OG1 3.35Å
406N86Confident86.4Confident55 Ų5561.1 Ų61.129%0.29433%0.334SS..Hα-helixtrans-72.5-42.2-178.9-74.210.8000111.1V401 T403 D404 N408 T409 I410V401-N406 VanDerWaalsContact CB-ND2 3.31Å; V401-N406 WeakPolarHBondContact CB-ND2 3.42Å; V401-N406 WeakPolarHBondContact CG1-ND2 3.07Å; V401-N406 WeakPolarHBondContact O-CB 3.22Å; T403-N406 PolarHBondContact O-N 3.47Å; T403-N406 WeakPolarHBondContact OG1-CB 3.26Å; T403-N406 PolarHBondContact OG1-N 2.87Å; T403-N406 PolarHBondContact OG1-OD1 2.99Å; D404-N406 PolarHBondContact O-N 2.99Å; N406-N408 VanDerWaalsContact C-N 3.34Å; N406-N408 PolarHBondContact O-N 2.84Å; N406-T409 WeakPolarHBondContact O-CB 3.46Å; N406-T409 PolarHBondContact O-N 2.95Å; N406-I410 WeakPolarHBondContact O-CD1 3.5Å; N406-I410 VanDerWaalsContact O-CG1 3.23Å; N406-I410 WeakPolarHBondContact O-CG1 3.41Å; N406-I410 PolarHBondContact O-N 3.44Å
407V87.4Confident86.1Confident5 Ų565.1 Ų65.13%0.0335%0.35CS..Hα-helixtrans-59.9-46.6174.1-179.80000110V396 T403 T409 I410 L411 L438 V440V396-V407 HydrophobicContact CG1-CG2 4.3Å; V396-V407 HydrophobicContact CG2-CG1 4.47Å; T403-V407 PolarHBondContact O-N 3.48Å; V407-T409 VanDerWaalsContact C-N 3.3Å; V407-T409 PolarHBondContact O-N 3.38Å; V407-I410 PolarHBondContact O-N 3.07Å; V407-L411 HydrophobicContact CG1-CD1 3.95Å; V407-L411 HydrophobicContact CG1-CG 4.18Å; V407-L411 WeakPolarHBondContact O-CB 3.29Å; V407-L411 WeakPolarHBondContact O-CG 3.46Å; V407-L411 PolarHBondContact O-N 3.49Å; V407-L438 HydrophobicContact CG1-CD1 4.17Å; V407-V440 HydrophobicContact CB-CG2 4.29Å; V407-V440 HydrophobicContact CG1-CG2 3.96Å
408N87.3Confident85.5Confident14 Ų1463.1 Ų63.18%0.07534%0.34CS..Hα-helixtrans-61.5-35.8176.1-80.3-39.7000113.3D404 N406 H412 T441D404-N408 VanDerWaalsContact O-CB 3.26Å; D404-N408 WeakPolarHBondContact O-CB 3.44Å; D404-N408 PolarHBondContact O-N 3.31Å; D404-N408 PolarHBondContact O-ND2 3.42Å; D404-N408 VanDerWaalsContact O-ND2 3.12Å; N406-N408 VanDerWaalsContact C-N 3.34Å; N406-N408 PolarHBondContact O-N 2.84Å; N408-H412 WeakPolarHBondContact O-CB 3.49Å; N408-H412 PolarHBondContact O-N 2.99Å; N408-T441 PolarHBondContact ND2-O 3.28Å
409T88.2Confident84.8Confident64 Ų6464 Ų6439%0.39334%0.336SS..Hα-helixtrans-65-46.7175.3-55.10000110.8K405 N406 V407 L411 H412 E413K405-T409 WeakPolarHBondContact O-CB 3.45Å; K405-T409 PolarHBondContact O-N 3.4Å; K405-T409 PolarHBondContact O-OG1 3.35Å; N406-T409 WeakPolarHBondContact O-CB 3.46Å; N406-T409 PolarHBondContact O-N 2.95Å; V407-T409 VanDerWaalsContact C-N 3.3Å; V407-T409 PolarHBondContact O-N 3.38Å; T409-L411 PolarHBondContact O-N 3.12Å; T409-H412 PolarHBondContact O-N 3.07Å; T409-E413 WeakPolarHBondContact O-CG 3.48Å; T409-E413 PolarHBondContact O-N 3.49Å
410I88.1Confident84.2Confident1 Ų160.1 Ų60.11%0.00532%0.321CS..Hα-helixtrans-62.7-44.2177.2-63.8162.9000110.9D395 V396 R399 N406 V407 H412 E413 H414D395-I410 HydrophobicContact CB-CG2 3.9Å; D395-I410 WeakPolarHBondContact OD2-CG2 3.23Å; V396-I410 HydrophobicContact CB-CD1 4.33Å; V396-I410 HydrophobicContact CG2-CB 4.34Å; V396-I410 HydrophobicContact CG2-CD1 3.81Å; V396-I410 HydrophobicContact CG2-CG2 3.92Å; R399-I410 HydrophobicContact CB-CD1 4.43Å; R399-I410 HydrophobicContact CG-CD1 4.38Å; N406-I410 WeakPolarHBondContact O-CD1 3.5Å; N406-I410 VanDerWaalsContact O-CG1 3.23Å; N406-I410 WeakPolarHBondContact O-CG1 3.41Å; N406-I410 PolarHBondContact O-N 3.44Å; V407-I410 PolarHBondContact O-N 3.07Å; I410-H412 VanDerWaalsContact C-N 3.3Å; I410-H412 PolarHBondContact O-N 3.01Å; I410-E413 PolarHBondContact O-N 2.83Å; I410-H414 PolarHBondContact O-CD2 3.32Å; I410-H414 VanDerWaalsContact O-CD2 3.32Å; I410-H414 PolarHBondContact O-N 3.4Å
411L87.5Confident83.9Confident0 Ų060.1 Ų60.10%032%0.322CS..Hα-helixtrans-58.2-42.6175.4-70.7175.1000111.5V392 V407 T409 H414 E415 L431 I434 R435V392-L411 HydrophobicContact CG1-CD2 3.64Å; V407-L411 HydrophobicContact CG1-CD1 3.95Å; V407-L411 HydrophobicContact CG1-CG 4.18Å; V407-L411 WeakPolarHBondContact O-CB 3.29Å; V407-L411 WeakPolarHBondContact O-CG 3.46Å; V407-L411 PolarHBondContact O-N 3.49Å; T409-L411 PolarHBondContact O-N 3.12Å; L411-H414 PolarHBondContact O-N 3.02Å; L411-E415 PolarHBondContact O-N 2.91Å; L411-L431 HydrophobicContact CB-CD2 3.82Å; L411-L431 HydrophobicContact CD2-CD2 3.34Å; L411-L431 HydrophobicContact CG-CD2 4.09Å; L411-I434 HydrophobicContact CD2-CB 4.33Å; L411-I434 HydrophobicContact CD2-CD1 4.29Å; L411-I434 HydrophobicContact CD2-CG2 3.88Å; L411-R435 HydrophobicContact CD1-CG 3.68Å
412H86.6Confident84Confident109 Ų10957.1 Ų57.151%0.50530%0.303SS..Hα-helixtrans-69.2-39.7176.5-172-65.8000112.2N408 T409 I410 H414 E415 T416N408-H412 WeakPolarHBondContact O-CB 3.49Å; N408-H412 PolarHBondContact O-N 2.99Å; T409-H412 PolarHBondContact O-N 3.07Å; I410-H412 VanDerWaalsContact C-N 3.3Å; I410-H412 PolarHBondContact O-N 3.01Å; H412-H414 VanDerWaalsContact C-N 3.32Å; H412-H414 PolarHBondContact O-N 2.82Å; H412-E415 WeakPolarHBondContact O-CB 3.41Å; H412-E415 PolarHBondContact O-N 3.06Å; H412-T416 WeakPolarHBondContact O-CG2 3.49Å; H412-T416 PolarHBondContact O-N 2.89Å; H412-T416 PolarHBondContact O-OG1 2.72Å
413E87.7Confident83.9Confident52 Ų5256.6 Ų56.624%0.24331%0.305CS..Hα-helixtrans-61.8-39.5174.6-74.1-177.9-146.100111.9R399 T409 I410 T416 K417R399-E413 IonicContact CZ-OE1 2.83Å; R399-E413 IonicContact CZ-OE2 3.61Å; R399-E413 IonicContact NH1-OE1 3.11Å; R399-E413 PolarHBondContact NH1-OE1 3.01Å; R399-E413 IonicContact NH1-OE2 3.42Å; R399-E413 IonicContact NH2-OE1 2.97Å; R399-E413 PolarHBondContact NH2-OE1 3.41Å; R399-E413 IonicContact NH2-OE2 2.74Å; R399-E413 PolarHBondContact NH2-OE2 2.73Å; T409-E413 WeakPolarHBondContact O-CG 3.48Å; T409-E413 PolarHBondContact O-N 3.49Å; I410-E413 PolarHBondContact O-N 2.83Å; E413-T416 PolarHBondContact O-N 2.96Å; E413-T416 PolarHBondContact O-OG1 3.18Å; E413-K417 WeakPolarHBondContact O-CB 3.47Å; E413-K417 VanDerWaalsContact O-CG 3.29Å; E413-K417 WeakPolarHBondContact O-CG 3.48Å; E413-K417 PolarHBondContact O-N 3.46Å; E413-K417 IonicContact OE2-NZ 3.65Å
414H87.1Confident83.8Confident6 Ų659.7 Ų59.73%0.02831%0.312CS..Hα-helixtrans-73.5-26.5175.1-82.3-78.9000113.1F388 S391 V392 D395 I410 L411 H412F388-H414 HydrophobicContact CE2-CB 3.98Å; F388-H414 HydrophobicContact CZ-CB 4.46Å; S391-H414 PolarHBondContact OG-CE1 2.96Å; V392-H414 HydrophobicContact CG2-CB 3.73Å; D395-H414 IonicContact OD2-NE2 3.95Å; I410-H414 PolarHBondContact O-CD2 3.32Å; I410-H414 VanDerWaalsContact O-CD2 3.32Å; I410-H414 PolarHBondContact O-N 3.4Å; L411-H414 PolarHBondContact O-N 3.02Å; H412-H414 VanDerWaalsContact C-N 3.32Å; H412-H414 PolarHBondContact O-N 2.82Å
415E86.1Confident83.7Confident54 Ų5462.5 Ų62.525%0.25233%0.327SS..Hα-helixtrans-65-40.9169.6-167.3174.4173.200111.5L411 H412 I427 L431L411-E415 PolarHBondContact O-N 2.91Å; H412-E415 WeakPolarHBondContact O-CB 3.41Å; H412-E415 PolarHBondContact O-N 3.06Å; E415-I427 HydrophobicContact CB-CG2 4.39Å; E415-I427 HydrophobicContact CG-CG2 4.13Å; E415-L431 HydrophobicContact CB-CD1 3.92Å; E415-L431 HydrophobicContact CG-CD1 4.18Å
416T82.3Confident83.6Confident96 Ų9658.1 Ų58.159%0.58931%0.31SS*.Hα-helixtrans-80-35.9-177.357.70000113.5H412 E413 N418H412-T416 WeakPolarHBondContact O-CG2 3.49Å; H412-T416 PolarHBondContact O-N 2.89Å; H412-T416 PolarHBondContact O-OG1 2.72Å; E413-T416 PolarHBondContact O-N 2.96Å; E413-T416 PolarHBondContact O-OG1 3.18Å; T416-N418 PolarHBondContact O-N 2.74Å
417K81.4Confident83.6Confident98 Ų9855.7 Ų55.743%0.42630%0.296SS..Hα-helixtrans-65.8-35.8179.8-76.1174.1-174.7166.70112.8E413 E419E413-K417 WeakPolarHBondContact O-CB 3.47Å; E413-K417 VanDerWaalsContact O-CG 3.29Å; E413-K417 WeakPolarHBondContact O-CG 3.48Å; E413-K417 PolarHBondContact O-N 3.46Å; E413-K417 IonicContact OE2-NZ 3.65Å; K417-E419 HydrophobicContact CB-CG 4.25Å; K417-E419 PolarHBondContact O-N 3.09Å
418N75Confident83.6Confident67 Ų6760 Ų6036%0.35832%0.315SS..  trans31.152.1-177.3-166.914000115.5T416 Y420 L422 I427T416-N418 PolarHBondContact O-N 2.74Å; N418-Y420 PolarHBondContact O-N 2.81Å; N418-L422 PolarHBondContact ND2-O 2.95Å; N418-L422 PolarHBondContact OD1-O 3.09Å; N418-I427 HydrophobicContact CB-CD1 4.11Å; N418-I427 VanDerWaalsContact OD1-CD1 3.3Å; N418-I427 WeakPolarHBondContact OD1-CD1 3.18Å
419E76.4Confident83.6Confident137 Ų13767.5 Ų67.564%0.6435%0.347SS*.THydrogen-bonded Turntrans-80.3-5.4-177.4-66.8177.7-171.600113.3K417K417-E419 HydrophobicContact CB-CG 4.25Å; K417-E419 PolarHBondContact O-N 3.09Å
420Y75.9Confident83.4Confident19 Ų1964.4 Ų64.48%0.07533%0.328CS..THydrogen-bonded Turntrans-103.64.5-168-47.7-84.1000113.8N384 K387 F388 S391 N418 L422N384-Y420 WeakPolarHBondContact CB-O 3.45Å; N384-Y420 PolarHBondContact ND2-O 3.28Å; K387-Y420 HydrophobicContact CB-CD1 4.18Å; K387-Y420 HydrophobicContact CD-CD1 3.94Å; K387-Y420 HydrophobicContact CD-CE1 4.36Å; K387-Y420 HydrophobicContact CG-CD1 3.76Å; K387-Y420 HydrophobicContact CG-CE1 3.97Å; F388-Y420 HydrophobicContact CB-CD2 4.14Å; F388-Y420 HydrophobicContact CB-CG 4.09Å; F388-Y420 AromaticContact CD2-CD2 3.67Å; F388-Y420 HydrophobicContact CD2-CD2 3.67Å; F388-Y420 AromaticContact CD2-CE2 3.98Å; F388-Y420 HydrophobicContact CD2-CE2 3.98Å; F388-Y420 HydrophobicContact CD2-CG 4.43Å; F388-Y420 HydrophobicContact CG-CD2 4.41Å; S391-Y420 WeakPolarHBondContact CB-OH 3.38Å; S391-Y420 PolarHBondContact OG-OH 3.5Å; N418-Y420 PolarHBondContact O-N 2.81Å; Y420-L422 PolarHBondContact O-N 3.11Å
421G77.3Confident83.4Confident61 Ų6164.4 Ų64.463%0.62933%0.328SS*.  trans6523.9178.200000114.1
422L82.2Confident83.3Confident5 Ų568.5 Ų68.53%0.02635%0.347CS..  trans-85.8144.1176.9-66.5173.5000110N384 F388 N418 Y420 Q426 I427N384-L422 HydrophobicContact CB-CD2 3.71Å; N384-L422 HydrophobicContact CB-CG 4.23Å; F388-L422 HydrophobicContact CB-CD1 3.58Å; F388-L422 HydrophobicContact CD1-CD1 4.44Å; F388-L422 HydrophobicContact CD2-CD1 4.3Å; F388-L422 HydrophobicContact CG-CD1 3.86Å; N418-L422 PolarHBondContact ND2-O 2.95Å; N418-L422 PolarHBondContact OD1-O 3.09Å; Y420-L422 PolarHBondContact O-N 3.11Å; L422-Q426 HydrophobicContact CB-CB 4.37Å; L422-I427 HydrophobicContact CB-CD1 4.16Å; L422-I427 HydrophobicContact CB-CG1 3.62Å; L422-I427 HydrophobicContact CD1-CG1 4.36Å
423S81.4Confident83.3Confident55 Ų5566.8 Ų66.839%0.38534%0.339SS..  trans-66.4152.4171.562.70000110.8D425 Q426 I427S423-D425 PolarHBondContact O-N 2.71Å; S423-D425 VanDerWaalsContact O-N 3.13Å; S423-Q426 WeakPolarHBondContact O-CB 3.06Å; S423-Q426 PolarHBondContact O-N 3.49Å; S423-Q426 WeakPolarHBondContact OG-CB 3.48Å; S423-Q426 WeakPolarHBondContact OG-CG 3.35Å; S423-Q426 PolarHBondContact OG-N 3.38Å; S423-Q426 PolarHBondContact OG-OE1 3.19Å; S423-I427 WeakPolarHBondContact O-CG1 3.31Å; S423-I427 PolarHBondContact O-N 3.5Å
424K83.3Confident83.1Confident135 Ų13564.7 Ų64.759%0.58733%0.329SS*.Hα-helixtrans-53.3-36.9179.2-171.2174.9-174.9174.60112.2K428K424-K428 HydrophobicContact CG-CD 4.46Å; K424-K428 WeakPolarHBondContact O-CB 3.24Å; K424-K428 VanDerWaalsContact O-CG 3.28Å; K424-K428 WeakPolarHBondContact O-CG 3.5Å; K424-K428 PolarHBondContact O-N 3.28Å
425D83.8Confident83.1Confident123 Ų12366.6 Ų66.666%0.65834%0.336SS*.Hα-helixtrans-72.2-37.9178.7-60.9-28.6000112.3S423 K428 K429S423-D425 PolarHBondContact O-N 2.71Å; S423-D425 VanDerWaalsContact O-N 3.13Å; D425-K428 PolarHBondContact O-N 3.47Å; D425-K429 WeakPolarHBondContact O-CB 3.3Å; D425-K429 PolarHBondContact O-N 2.86Å
426Q85.4Confident83Confident65 Ų6567.8 Ų67.830%0.30435%0.347SS..Hα-helixtrans-65.1-41.8173-75.5166.9-36.300111.7L422 S423 K429 A430L422-Q426 HydrophobicContact CB-CB 4.37Å; S423-Q426 WeakPolarHBondContact O-CB 3.06Å; S423-Q426 PolarHBondContact O-N 3.49Å; S423-Q426 WeakPolarHBondContact OG-CB 3.48Å; S423-Q426 WeakPolarHBondContact OG-CG 3.35Å; S423-Q426 PolarHBondContact OG-N 3.38Å; S423-Q426 PolarHBondContact OG-OE1 3.19Å; Q426-K429 PolarHBondContact O-N 3.28Å; Q426-A430 WeakPolarHBondContact O-CB 3.29Å; Q426-A430 PolarHBondContact O-N 2.8Å
427I85.8Confident82.9Confident3 Ų366.4 Ų66.42%0.01533%0.334CS..Hα-helixtrans-62.7-48.6175.6-64.1170.7000109.8F388 E415 N418 L422 S423 K429 A430 L431F388-I427 HydrophobicContact CE2-CG2 4.14Å; F388-I427 HydrophobicContact CZ-CG2 3.99Å; E415-I427 HydrophobicContact CB-CG2 4.39Å; E415-I427 HydrophobicContact CG-CG2 4.13Å; N418-I427 HydrophobicContact CB-CD1 4.11Å; N418-I427 VanDerWaalsContact OD1-CD1 3.3Å; N418-I427 WeakPolarHBondContact OD1-CD1 3.18Å; L422-I427 HydrophobicContact CB-CD1 4.16Å; L422-I427 HydrophobicContact CB-CG1 3.62Å; L422-I427 HydrophobicContact CD1-CG1 4.36Å; S423-I427 WeakPolarHBondContact O-CG1 3.31Å; S423-I427 PolarHBondContact O-N 3.5Å; I427-K429 VanDerWaalsContact C-N 3.31Å; I427-K429 PolarHBondContact O-N 3.1Å; I427-A430 CarbonylContact O-C 3.59Å; I427-A430 WeakPolarHBondContact O-CB 3.26Å; I427-A430 PolarHBondContact O-N 3.44Å; I427-A430 VanDerWaalsContact O-N 3.1Å; I427-L431 HydrophobicContact CG2-CD1 3.77Å; I427-L431 HydrophobicContact CG2-CG 4.07Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.28Å; I427-L431 PolarHBondContact O-N 3.44Å
428K87.3Confident82.8Confident97 Ų9764.9 Ų64.942%0.42233%0.33SS..Hα-helixtrans-58.6-42176.4-76176.6174.9-172.40112.5K424 D425 L431 Q432K424-K428 HydrophobicContact CG-CD 4.46Å; K424-K428 WeakPolarHBondContact O-CB 3.24Å; K424-K428 VanDerWaalsContact O-CG 3.28Å; K424-K428 WeakPolarHBondContact O-CG 3.5Å; K424-K428 PolarHBondContact O-N 3.28Å; D425-K428 PolarHBondContact O-N 3.47Å; K428-L431 PolarHBondContact O-N 3.05Å; K428-Q432 VanDerWaalsContact O-CB 3.27Å; K428-Q432 WeakPolarHBondContact O-CB 3.32Å; K428-Q432 PolarHBondContact O-N 2.84Å
429K86.4Confident82.9Confident170 Ų17068.3 Ų68.374%0.73935%0.348SS*.Hα-helixtrans-63.6-41.1175.1-171.7178.5-179.7-178.70111.7D425 Q426 I427 H433D425-K429 WeakPolarHBondContact O-CB 3.3Å; D425-K429 PolarHBondContact O-N 2.86Å; Q426-K429 PolarHBondContact O-N 3.28Å; I427-K429 VanDerWaalsContact C-N 3.31Å; I427-K429 PolarHBondContact O-N 3.1Å; K429-H433 WeakPolarHBondContact O-CB 3.25Å; K429-H433 PolarHBondContact O-N 3.12Å
430A85.4Confident82.9Confident0 Ų062.4 Ų62.40%032%0.322CS..Hα-helixtrans-65.1-4717600000111.9Y385 F388 Q426 I427 Q432 H433 I434Y385-A430 HydrophobicContact CD2-CB 3.85Å; Y385-A430 HydrophobicContact CE2-CB 3.45Å; Y385-A430 VanDerWaalsContact CE2-CB 3.45Å; F388-A430 HydrophobicContact CD1-CB 3.8Å; F388-A430 HydrophobicContact CE1-CB 3.54Å; Q426-A430 WeakPolarHBondContact O-CB 3.29Å; Q426-A430 PolarHBondContact O-N 2.8Å; I427-A430 CarbonylContact O-C 3.59Å; I427-A430 WeakPolarHBondContact O-CB 3.26Å; I427-A430 PolarHBondContact O-N 3.44Å; I427-A430 VanDerWaalsContact O-N 3.1Å; A430-Q432 VanDerWaalsContact C-N 3.34Å; A430-Q432 PolarHBondContact O-N 3.34Å; A430-H433 WeakPolarHBondContact O-CB 3.25Å; A430-H433 PolarHBondContact O-N 3.02Å; A430-H433 VanDerWaalsContact O-N 3.16Å; A430-I434 VanDerWaalsContact O-CG1 3.31Å; A430-I434 WeakPolarHBondContact O-CG1 2.87Å; A430-I434 PolarHBondContact O-N 3.42Å
431L86.9Confident82.6Confident0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-62.1-41.2176.3-69177.5000111.5F388 L411 E415 I427 K428 H433 I434 R435F388-L431 HydrophobicContact CE1-CD2 4.2Å; F388-L431 HydrophobicContact CE1-CG 4.48Å; F388-L431 HydrophobicContact CZ-CD2 3.68Å; F388-L431 HydrophobicContact CZ-CG 4.03Å; L411-L431 HydrophobicContact CB-CD2 3.82Å; L411-L431 HydrophobicContact CD2-CD2 3.34Å; L411-L431 HydrophobicContact CG-CD2 4.09Å; E415-L431 HydrophobicContact CB-CD1 3.92Å; E415-L431 HydrophobicContact CG-CD1 4.18Å; I427-L431 HydrophobicContact CG2-CD1 3.77Å; I427-L431 HydrophobicContact CG2-CG 4.07Å; I427-L431 WeakPolarHBondContact O-CB 3.47Å; I427-L431 VanDerWaalsContact O-CG 3.27Å; I427-L431 WeakPolarHBondContact O-CG 3.28Å; I427-L431 PolarHBondContact O-N 3.44Å; K428-L431 PolarHBondContact O-N 3.05Å; L431-H433 VanDerWaalsContact C-N 3.32Å; L431-I434 PolarHBondContact O-N 3.48Å; L431-R435 WeakPolarHBondContact O-CB 3.36Å; L431-R435 VanDerWaalsContact O-CG 3.26Å; L431-R435 WeakPolarHBondContact O-CG 3.46Å; L431-R435 PolarHBondContact O-N 2.67Å
432Q86.4Confident81.9Confident86 Ų8665.7 Ų65.740%0.40233%0.329SS..Hα-helixtrans-65.2-38.4175-169.662.319.900111.5K428 A430 R435 T436K428-Q432 VanDerWaalsContact O-CB 3.27Å; K428-Q432 WeakPolarHBondContact O-CB 3.32Å; K428-Q432 PolarHBondContact O-N 2.84Å; A430-Q432 VanDerWaalsContact C-N 3.34Å; A430-Q432 PolarHBondContact O-N 3.34Å; Q432-R435 PolarHBondContact O-N 2.88Å; Q432-T436 HydrophobicContact CG-CG2 4.49Å; Q432-T436 WeakPolarHBondContact O-CB 3.49Å; Q432-T436 VanDerWaalsContact O-CG2 3.28Å; Q432-T436 WeakPolarHBondContact O-CG2 3.18Å; Q432-T436 PolarHBondContact O-N 3.34Å; Q432-T436 PolarHBondContact O-OG1 3.38Å
433H85.3Confident80.6Confident74 Ų7472.5 Ų72.534%0.34336%0.361SS..Hα-helixtrans-61.9-44.9173.2-169.463.5000111.7Y385 K429 A430 L431 T436 Q437Y385-H433 PolarHBondContact OH-CD2 3.08Å; K429-H433 WeakPolarHBondContact O-CB 3.25Å; K429-H433 PolarHBondContact O-N 3.12Å; A430-H433 WeakPolarHBondContact O-CB 3.25Å; A430-H433 PolarHBondContact O-N 3.02Å; A430-H433 VanDerWaalsContact O-N 3.16Å; L431-H433 VanDerWaalsContact C-N 3.32Å; H433-T436 WeakPolarHBondContact CA-OG1 3.38Å; H433-T436 PolarHBondContact O-N 3.12Å; H433-T436 PolarHBondContact O-OG1 3.34Å; H433-Q437 PolarHBondContact CE1-NE2 2.91Å; H433-Q437 PolarHBondContact NE2-NE2 2.97Å; H433-Q437 WeakPolarHBondContact O-CB 3.46Å; H433-Q437 VanDerWaalsContact O-CG 3.28Å; H433-Q437 WeakPolarHBondContact O-CG 3.41Å; H433-Q437 PolarHBondContact O-N 3.29Å
434I84.9Confident79.2Confident7 Ų774.6 Ų74.64%0.03637%0.371CS..Hα-helixtrans-64.6-44.8177.4-64.7165.8000110.9F388 I389 V392 L411 A430 L431 T436 Q437 L438F388-I434 HydrophobicContact CE1-CD1 4.13Å; I389-I434 HydrophobicContact CG1-CD1 4.24Å; V392-I434 HydrophobicContact CB-CD1 4.3Å; V392-I434 HydrophobicContact CG1-CD1 3.99Å; L411-I434 HydrophobicContact CD2-CB 4.33Å; L411-I434 HydrophobicContact CD2-CD1 4.29Å; L411-I434 HydrophobicContact CD2-CG2 3.88Å; A430-I434 VanDerWaalsContact O-CG1 3.31Å; A430-I434 WeakPolarHBondContact O-CG1 2.87Å; A430-I434 PolarHBondContact O-N 3.42Å; L431-I434 PolarHBondContact O-N 3.48Å; I434-T436 PolarHBondContact O-N 2.56Å; I434-Q437 PolarHBondContact O-N 3.13Å; I434-L438 HydrophobicContact CG2-CD1 3.61Å; I434-L438 HydrophobicContact CG2-CG 4.24Å; I434-L438 WeakPolarHBondContact O-CB 3.13Å; I434-L438 WeakPolarHBondContact O-CG 3.23Å; I434-L438 PolarHBondContact O-N 2.65Å
435R86.5Confident77.2Confident47 Ų4774 Ų7418%0.17738%0.379CS..Hα-helixtrans-60.8-45.1177.3-75.3165.5171.7150.53.1112.5L411 L431 Q432 L438 N439 V440 N442L411-R435 HydrophobicContact CD1-CG 3.68Å; L431-R435 WeakPolarHBondContact O-CB 3.36Å; L431-R435 VanDerWaalsContact O-CG 3.26Å; L431-R435 WeakPolarHBondContact O-CG 3.46Å; L431-R435 PolarHBondContact O-N 2.67Å; Q432-R435 PolarHBondContact O-N 2.88Å; R435-L438 PolarHBondContact O-N 3.38Å; R435-N439 PolarHBondContact O-N 2.92Å; R435-V440 PolarHBondContact O-N 3.37Å; R435-N442 WeakPolarHBondContact CD-OD1 3.37Å; R435-N442 PolarHBondContact NE-OD1 2.85Å
436T84.5Confident74.8Confident79 Ų7974.1 Ų74.149%0.48538%0.384SS..Hα-helixtrans-66.3-37.4178.1500000112Q432 H433 I434Q432-T436 HydrophobicContact CG-CG2 4.49Å; Q432-T436 WeakPolarHBondContact O-CB 3.49Å; Q432-T436 VanDerWaalsContact O-CG2 3.28Å; Q432-T436 WeakPolarHBondContact O-CG2 3.18Å; Q432-T436 PolarHBondContact O-N 3.34Å; Q432-T436 PolarHBondContact O-OG1 3.38Å; H433-T436 WeakPolarHBondContact CA-OG1 3.38Å; H433-T436 PolarHBondContact O-N 3.12Å; H433-T436 PolarHBondContact O-OG1 3.34Å; I434-T436 PolarHBondContact O-N 2.56Å
437Q79.5Confident72.5Confident67 Ų6776.8 Ų76.831%0.31341%0.405SS..Hα-helixtrans-72.9-33.6176.5-74.9-175.9-23.100113.7H433 I434H433-Q437 PolarHBondContact CE1-NE2 2.91Å; H433-Q437 PolarHBondContact NE2-NE2 2.97Å; H433-Q437 WeakPolarHBondContact O-CB 3.46Å; H433-Q437 VanDerWaalsContact O-CG 3.28Å; H433-Q437 WeakPolarHBondContact O-CG 3.41Å; H433-Q437 PolarHBondContact O-N 3.29Å; I434-Q437 PolarHBondContact O-N 3.13Å
438L79Confident70.1Confident66 Ų6682.1 Ų82.135%0.34644%0.438SS..Hα-helixtrans-89.8-2.7179.5-65.1178.3000113.5V407 I434 R435 V440V407-L438 HydrophobicContact CG1-CD1 4.17Å; I434-L438 HydrophobicContact CG2-CD1 3.61Å; I434-L438 HydrophobicContact CG2-CG 4.24Å; I434-L438 WeakPolarHBondContact O-CB 3.13Å; I434-L438 WeakPolarHBondContact O-CG 3.23Å; I434-L438 PolarHBondContact O-N 2.65Å; R435-L438 PolarHBondContact O-N 3.38Å; L438-V440 HydrophobicContact CB-CG2 3.65Å; L438-V440 PolarHBondContact O-N 3.47Å
439N76.8Confident67.3Low138 Ų13883 Ų8374%0.73845%0.454SS*.THydrogen-bonded Turntrans52.629.3-173.1-78.786.6000113.5R435 T441R435-N439 PolarHBondContact O-N 2.92Å; N439-T441 PolarHBondContact O-N 2.89Å
440V75.7Confident64.8Low13 Ų1382 Ų828%0.07946%0.455CS..  trans-75.3124.2179.2175.10000108.5D404 V407 R435 L438 N442D404-V440 HydrophobicContact CB-CG1 3.98Å; V407-V440 HydrophobicContact CB-CG2 4.29Å; V407-V440 HydrophobicContact CG1-CG2 3.96Å; R435-V440 PolarHBondContact O-N 3.37Å; L438-V440 HydrophobicContact CB-CG2 3.65Å; L438-V440 PolarHBondContact O-N 3.47Å; V440-N442 PolarHBondContact O-N 3.39Å
441T70.5Confident62.3Low72 Ų7288.1 Ų88.144%0.44249%0.493SS..  trans-67.9133174.653.40000109.5N408 N439 E443N408-T441 PolarHBondContact ND2-O 3.28Å; N439-T441 PolarHBondContact O-N 2.89Å; T441-E443 PolarHBondContact O-N 3.33Å
442N62.9Low60.1Low77 Ų7791.9 Ų91.941%0.41252%0.516SS..  trans-72.382170.5-86-28000108.4R435 V440 V444R435-N442 WeakPolarHBondContact CD-OD1 3.37Å; R435-N442 PolarHBondContact NE-OD1 2.85Å; V440-N442 PolarHBondContact O-N 3.39Å; N442-V444 PolarHBondContact O-N 2.69Å
443E55.6Low57.7Low149 Ų14992.9 Ų92.970%0.69652%0.524SS*.  trans-72.715.8172.6-63.9-140.5159.400113.2T441T441-E443 PolarHBondContact O-N 3.33Å
444V51.9Low55.6Low99 Ų9994.8 Ų94.860%0.654%0.536SS*.  trans-130.677-179.7-171.50000109.8N442N442-V444 PolarHBondContact O-N 2.69Å
445T39.9Very low53.5Low122 Ų12296.9 Ų96.975%0.74855%0.551SS**SBendtrans-95.996.5145.9-47.30000106
446T34.8Very low51.5Low125 Ų125100.2 Ų100.277%0.76757%0.569SS**  trans6368.5151.5-30.10000116.3
447T36.2Very low49.4Very low121 Ų121103 Ų10374%0.74258%0.58SS**  trans-120108.715370000108
448T35.3Very low47.4Very low115 Ų115106 Ų10671%0.70660%0.597SS**  trans-31.7149.7163.4360000113.3L450T448-L450 PolarHBondContact O-N 2.89Å
449P30Very low45.3Very low117 Ų117109.7 Ų109.776%0.7662%0.617SS**  trans-58106178.727.1-32.7000108T451P449-T451 PolarHBondContact O-N 3Å
450L33Very low43.4Very low147 Ų147108.3 Ų108.377%0.7762%0.618SS**  trans-73.687.7168.9-162.771.7000105.5T448 T452T448-L450 PolarHBondContact O-N 2.89Å; L450-T452 WeakPolarHBondContact CD2-OG1 3.44Å; L450-T452 PolarHBondContact O-N 3.3Å
451T32.8Very low41.2Very low129 Ų129113 Ų11379%0.79165%0.651SS**  trans-53.180.4148.727.20000107.1P449 D453P449-T451 PolarHBondContact O-N 3Å; T451-D453 PolarHBondContact O-N 3.44Å
452T40Very low39.4Very low80 Ų80114.9 Ų114.949%0.49167%0.668SS.*  trans-70.888.4166.4-52.80000106L450 I454L450-T452 WeakPolarHBondContact CD2-OG1 3.44Å; L450-T452 PolarHBondContact O-N 3.3Å; T452-I454 PolarHBondContact O-N 3.36Å; T452-I454 VanDerWaalsContact O-N 3.13Å
453D36.2Very low38Very low106 Ų106117.1 Ų117.157%0.56769%0.69SS**  trans-53.6111170.7-167.96000108.4T451 S455 H456T451-D453 PolarHBondContact O-N 3.44Å; D453-S455 PolarHBondContact O-N 3.11Å; D453-S455 WeakPolarHBondContact OD1-CB 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.47Å; D453-S455 VanDerWaalsContact OD1-OG 3.05Å; D453-S455 PolarHBondContact OD2-OG 2.93Å; D453-H456 PolarHBondContact O-CE1 3.19Å; D453-H456 PolarHBondContact O-ND1 3.24Å
454I42.3Very low36.8Very low115 Ų115113.6 Ų113.659%0.5969%0.693SS**G310 helixtrans-65.62.6-177.5-60.7168.2000111.2T452 H456 L457 L458T452-I454 PolarHBondContact O-N 3.36Å; T452-I454 VanDerWaalsContact O-N 3.13Å; I454-H456 VanDerWaalsContact C-N 3.34Å; I454-H456 PolarHBondContact O-N 3.02Å; I454-L457 PolarHBondContact O-N 2.95Å; I454-L458 HydrophobicContact CG2-CD1 3.88Å; I454-L458 HydrophobicContact CG2-CG 4.2Å; I454-L458 PolarHBondContact O-N 2.79Å
455S41.3Very low36.1Very low51 Ų51116.3 Ų116.336%0.35770%0.703SS.*G310 helixtrans-68.3-19.1-178.257.40000115.3D453D453-S455 PolarHBondContact O-N 3.11Å; D453-S455 WeakPolarHBondContact OD1-CB 3.27Å; D453-S455 PolarHBondContact OD1-OG 3.47Å; D453-S455 VanDerWaalsContact OD1-OG 3.05Å; D453-S455 PolarHBondContact OD2-OG 2.93Å
456H43.9Very low35.8Very low117 Ų117117.5 Ų117.554%0.54271%0.705SS.*G310 helixtrans-91.6-14.7174.441.6-83.3000114.3D453 I454D453-H456 PolarHBondContact O-CE1 3.19Å; D453-H456 PolarHBondContact O-ND1 3.24Å; I454-H456 VanDerWaalsContact C-N 3.34Å; I454-H456 PolarHBondContact O-N 3.02Å
457L39.5Very low36Very low138 Ų138117.1 Ų117.172%0.72371%0.707SS**THydrogen-bonded Turntrans-90.2-11.6172.2-70.1172.5000112.9I454I454-L457 PolarHBondContact O-N 2.95Å
458L39Very low36Very low130 Ų130120.6 Ų120.668%0.68171%0.714SS**SBendtrans-101.91.7-179.6-68.7172.5000114.4I454I454-L458 HydrophobicContact CG2-CD1 3.88Å; I454-L458 HydrophobicContact CG2-CG 4.2Å; I454-L458 PolarHBondContact O-N 2.79Å
459N35.1Very low35.9Very low142 Ų142117.9 Ų117.976%0.75971%0.709SS**SBendtrans-112.37.3-177.1-93.1-3.6000116.1S461N459-S461 VanDerWaalsContact C-N 3.31Å; N459-S461 PolarHBondContact O-N 3.36Å
460S35.6Very low36.4Very low109 Ų109120.2 Ų120.276%0.76272%0.715SS**  trans-90.718.7176.7-60.80000114.6
461S30.5Very low36.3Very low111 Ų111122.2 Ų122.278%0.77672%0.721SS**  trans-115.871.4176.2-64.20000111.7N459N459-S461 VanDerWaalsContact C-N 3.31Å; N459-S461 PolarHBondContact O-N 3.36Å
462S32Very low36.4Very low113 Ų113122.4 Ų122.479%0.7972%0.722SS**SBendtrans176.3143.5146.7-90.80000113
463S33.3Very low36.3Very low124 Ų124125.7 Ų125.787%0.86773%0.734SS**  trans9461.7156.5-48.60000117.8
464G31.1Very low36.1Very low75 Ų75126.4 Ų126.477%0.77374%0.736SS**  trans-105.784.3151.400000110.7
465L37.1Very low35.8Very low155 Ų155131.3 Ų131.381%0.81275%0.749SS**  trans-153.5112.8160.1-83.4-176000111.4
466L33.7Very low35.3Very low148 Ų148136.3 Ų136.378%0.77577%0.771SS**  trans63.8104.4138.5-63.6159.3000119.2
467S38.2Very low35Very low116 Ų116137.7 Ų137.781%0.81179%0.788SS**  157.5142.995.8-94.70000112.7
468H36Very low34.8Very low194 Ų194134 Ų13490%0.89878%0.783SS**  trans-48.7145-177.5-74.3-52.2000117.1
469G33.8Very low34.7Very low58 Ų58134.7 Ų134.760%0.59879%0.787SS**  108.8119.9120.800000116.8
470N39.1Very low34.7Very low167 Ų167134.3 Ų134.389%0.89378%0.781SS**  trans121.3104.1134.6-49.1-8.9000113.7
471E31Very low34.8Very low189 Ų189137 Ų13788%0.88378%0.779SS**  trans-51.3136.9164.4-63.7165.5132.600112.1
472T36.2Very low35.1Very low132 Ų132136.8 Ų136.881%0.8178%0.778SS**  -168.8114.9129.730000112.5
473M36.6Very low35.2Very low150 Ų150141.3 Ų141.374%0.73978%0.779SS**  trans52.8105133.4-61.7-69.1-83.300121
474I32.5Very low35.2Very low120 Ų120140.8 Ų140.862%0.61577%0.77SS**  38.4116.4119-51.1172000116.7
475Y37.2Very low35.4Very low218 Ų218144.1 Ų144.186%0.85577%0.765SS**  -171.5119.3111.7-91.2-70.3000109.7
476N31Very low35.4Very low156 Ų156144.6 Ų144.683%0.83476%0.763SS**  trans-69.5144.9166.1-71.5-32.3000109.5
477V37.1Very low35.6Very low147 Ų147143.5 Ų143.589%0.89175%0.754SS**  1721281301540000108.9
478G35.4Very low35.3Very low60 Ų60147.4 Ų147.462%0.61975%0.751SS**  trans97.699.8130.600000118.2
479N36.4Very low35.3Very low145 Ų145145.6 Ų145.678%0.77574%0.743SS**  75.2111.8129.7-76.63.6000120.9
480E34.8Very low35.4Very low134 Ų134149.2 Ų149.263%0.62674%0.744SS**  77.8115.2117.8-66.2-158.9158.300119.9
481K37.6Very low35.1Very low166 Ų166148.8 Ų148.872%0.72274%0.737SS**  trans77.8118.4131.5-64.6168.7-174.5155.30117.1
482S36.7Very low35.4Very low106 Ų106147.4 Ų147.474%0.74174%0.736SS**  118.6133.5117.1-142.80000116.6
483Y33.7Very low34.9Very low208 Ų208149.6 Ų149.682%0.81674%0.737SS**  trans84.186.5152.4-103.5-102.9000120.9
484V33.1Very low34.8Very low113 Ų113148.2 Ų148.269%0.68574%0.739SS**  7127.8114.1-173.40000116.2
485Q35.7Very low34.6Very low144 Ų144148 Ų14867%0.67374%0.743SS**  157.9145.3118.4-166.675.511.200111
486Q38.4Very low34.5Very low165 Ų165144.8 Ų144.877%0.77175%0.746SS**  trans97.587.4151.1-121.3154.229.300116.9
487Q36.3Very low34.5Very low126 Ų126140 Ų14059%0.58972%0.724SS**  70.1109.482.9-81.3-170.75.900116.2
488R31.9Very low34.1Very low197 Ų197143 Ų14374%0.74372%0.722SS**  trans60.3123.5135.3-57-169.5-74.3-147.9-2.8117.4
489Q37Very low33.9Very low156 Ų156149.7 Ų149.773%0.72973%0.733SS**  171.3139.2102.2-96.9-175.99.400115
490H36.7Very low33.7Very low135 Ų135148.5 Ų148.563%0.62573%0.732SS**  trans80.8110.7147.1-61.2-54.6000123.7
491Q32.1Very low33.7Very low158 Ų158149.9 Ų149.974%0.73874%0.742SS**  58.1116.3124.9-78.8170.3-39.100120.1
492N36.1Very low33.5Very low159 Ų159148.9 Ų148.985%0.8574%0.743SS**  175.2126.1107.6-82.6-33.5000111.5
493Q26.5Very low33.1Very low179 Ų179150.5 Ų150.584%0.83674%0.744SS**  trans-101.5155.8169.3-78.8-111.9-1.500109.7
494P34.9Very low33.3Very low120 Ų120148.8 Ų148.878%0.77975%0.747SS**  trans-123.2122.1144.330.4-16.5000112.7
495T28Very low33.5Very low116 Ų116152.3 Ų152.371%0.71275%0.753SS**  trans-55.2133.3161.5-55.30000112.5
496V35.4Very low33.5Very low150 Ų150151.3 Ų151.391%0.90976%0.759SS**  trans-137.2138.9152.5-175.60000109
497S30.2Very low33.4Very low55 Ų55150.9 Ų150.939%0.38576%0.761SS.*  trans-135.7146.5-152.867.10000114.1
498Y28.5Very low33Very low212 Ų212150.7 Ų150.783%0.83177%0.772SS**  trans48.3128.51584.9-89.7000120.5
499K32.9Very low33Very low199 Ų199152.1 Ų152.187%0.86578%0.778SS**  -171.3125.2105.8-156164.3-177.8178.90113.2
500T30.3Very low32.7Very low120 Ų120150 Ų15074%0.73678%0.781SS**  trans-76.8143.3170.5-5.80000111.7
501I36.5Very low32.5Very low163 Ų163150.5 Ų150.584%0.83679%0.793SS**  trans-136.6123.5148.9-62.3-174.9000108.2
502L32.1Very low32.5Very low145 Ų145147.7 Ų147.776%0.75979%0.791SS**  trans-83.9169177.9-84.5157.1000112.2
503D29.9Very low32.5Very low141 Ų141145 Ų14575%0.75478%0.784SS**  trans8694155.9-71.8-15.7000119.7
504I36.2Very low32.9Very low172 Ų172144.3 Ų144.388%0.88279%0.786SS**  trans-143.7113.9132.6-52.8-177.7000109.8
505K37.8Very low32.7Very low186 Ų186146.9 Ų146.981%0.80979%0.792SS**  trans-65.3143.5170.1-66169.4177.1171.30111.2L507K505-L507 PolarHBondContact O-N 3.06Å
506P36.3Very low33.1Very low124 Ų124146.5 Ų146.581%0.80579%0.794SS**  trans-84.7110.6163.429.4-23.7000110.2C508P506-C508 PolarHBondContact O-N 2.97Å
507L35.1Very low33.4Very low155 Ų155145.9 Ų145.981%0.81279%0.79SS**  trans-72.3105.2171.6179.564.3000109.5K505 R509K505-L507 PolarHBondContact O-N 3.06Å; L507-R509 PolarHBondContact O-N 3.24Å
508C28.3Very low33.8Very low122 Ų122148.7 Ų148.782%0.82481%0.807SS**  trans-72.5119.6162.2-64.20000108.7P506P506-C508 PolarHBondContact O-N 2.97Å
509R31.4Very low34Very low228 Ų228143.7 Ų143.786%0.8680%0.802SS**  trans-144.8114.1161.4-148.7173.9-172.1-153.30.8111.6L507L507-R509 PolarHBondContact O-N 3.24Å
510S31.8Very low33.9Very low112 Ų112140.5 Ų140.578%0.78379%0.794SS**  trans-48.6131.2172.2-40.80000112.3
511T31.3Very low34.1Very low145 Ų145143.5 Ų143.589%0.8980%0.8SS**  trans-94114.7160.646.80000108.3
512S33.1Very low33.9Very low98 Ų98139.3 Ų139.369%0.68579%0.785SS**  trans-115.1132.1160.7-45.20000107
513S36.1Very low34.2Very low103 Ų103140.5 Ų140.572%0.7279%0.786SS**  trans92.4125.5136.181.40000119
514L34.5Very low34.5Very low164 Ų164141.9 Ų141.986%0.85979%0.789SS**  trans96.891.2143.8-49-172.6000119
515L32Very low34.3Very low175 Ų175140.9 Ų140.992%0.91678%0.784SS**  trans-36.8131.5134.4-73150.2000113
516S35.9Very low34.3Very low108 Ų108139 Ų13976%0.75579%0.788SS**  trans-177.594.7132.9176.90000111
517V41.6Very low34.1Very low136 Ų136139 Ų13982%0.82479%0.787SS**  53.8144.9125.1174.90000120.7
518P39.5Very low34.4Very low115 Ų115136.9 Ų136.975%0.74778%0.782SS**  trans-117.4175.6-14142.7-30.6000114.8
519C31.5Very low34.7Very low107 Ų107137.4 Ų137.472%0.72378%0.781SS**  trans-162.8109.2156.8-160.90000113.4
520N30.7Very low34.7Very low131 Ų131132.1 Ų132.170%0.70177%0.774SS**  48.6149.6126.9-52.4-23.2000124.5
521Q34.8Very low34.7Very low183 Ų183132.9 Ų132.986%0.85578%0.775SS**  trans83.9133.5156.1-74167.112.200116.1
522S32.9Very low34.5Very low75 Ų75131.7 Ų131.752%0.52477%0.767SS.*  cis173.8156.5-1.439.20000107.9
523H38.3Very low34.4Very low170 Ų170132.7 Ų132.779%0.78777%0.769SS**  trans78.7142.6164.8-45.1-60.4000116.1
524Q36.3Very low34Very low171 Ų171132.6 Ų132.680%0.79977%0.769SS**  cis-163.4124.14.7-124.8173.427.100104.6
525L31.1Very low33.8Very low150 Ų150132.4 Ų132.479%0.78577%0.767SS**  65.698.2101.3-158.479.1000116.2
526T37.6Very low33.7Very low146 Ų146129.3 Ų129.390%0.89676%0.756SS**  -169.6114.9126.416.30000112
527T33.5Very low33.3Very low126 Ų126131 Ų13177%0.77376%0.755SS**  trans-82.5-172.9167.346.10000111.6
528P39.5Very low32.7Very low109 Ų109136.2 Ų136.271%0.70876%0.759SS**  cis-127.2176.8-24.221.33.8000110.8
529T35.8Very low32.1Very low133 Ų133135.4 Ų135.482%0.81675%0.754SS**  -173.7124.896.8-54.30000109.6
530T31.1Very low32Very low117 Ų117137.6 Ų137.672%0.71876%0.759SS**  trans-72.2137.5174.6390000113.2
531T30.9Very low32.1Very low129 Ų129140.9 Ų140.979%0.79177%0.77SS**  trans-134.996.5142.5-55.20000108.3
532T28Very low31.9Very low119 Ų119137.4 Ų137.473%0.7377%0.766SS**  trans-96.5114.1163.8-64.30000106.6
533T31.7Very low32Very low119 Ų119141.7 Ų141.773%0.7378%0.781SS**  trans-112.893.1161.431.60000108.2
534S26.7Very low32Very low101 Ų101140.9 Ų140.971%0.70678%0.783SS**  trans-67.5119.9154.441.50000109.1
535I30.6Very low32Very low161 Ų161138.3 Ų138.383%0.82677%0.773SS**  trans-128117.3159.6-60.5-179.2000109.4
536T30.4Very low32.5Very low110 Ų110136.2 Ų136.268%0.67577%0.768SS**  trans-74134.9176.3-62.50000111.7
537I26Very low33Very low143 Ų143137.9 Ų137.973%0.73376%0.763SS**  trans36.3123145.2-49.8167.4000118.6
538R28.8Very low33.5Very low245 Ų245138.5 Ų138.593%0.92576%0.762SS**  trans-157.3131.2131.1-101.7173.6-154.1-151.75.2110.6
539P28.9Very low33.5Very low98 Ų98136.9 Ų136.964%0.63676%0.758SS**  trans-87.7162.6177.735.9-32000111.9
540N27.5Very low33.8Very low153 Ų153135.7 Ų135.782%0.81874%0.743SS**  trans70.9109.4165.5-57.3-26.6000117.5
541Q34.3Very low34.5Very low200 Ų200135.1 Ų135.194%0.93573%0.732SS**  trans-159.1121.3134.6-106.2165.818.100110.7
542S29.3Very low35.2Very low110 Ų110133.6 Ų133.677%0.76972%0.722SS**  trans-67.5144-178.152.50000114.2
543I35.5Very low35.6Very low165 Ų165135.8 Ų135.885%0.84672%0.722SS**  trans-130.7105.6154.7-63.1179.8000109.4
544N38.9Very low36.4Very low153 Ų153136 Ų13682%0.81872%0.715SS**  trans17.3113.7158.1-71.9-57.9000121.3
545I35.3Very low37.3Very low118 Ų118140.1 Ų140.161%0.60572%0.715SS**  trans-91.7136.5154-63168.5000107.8
546P42.1Very low37.6Very low105 Ų105139.2 Ų139.268%0.68271%0.711SS**  trans-63.2133.6174-17.130000111.7D548P546-D548 PolarHBondContact O-N 3.17Å; P546-D548 VanDerWaalsContact O-N 3.11Å
547K47.4Very low38.2Very low181 Ų181141.2 Ų141.279%0.78772%0.715SS**THydrogen-bonded Turntrans-66-8.3-170.9-81.2176.3173.8177.70116.3
548D45.3Very low38.8Very low140 Ų140140.1 Ų140.175%0.74971%0.71SS**THydrogen-bonded Turntrans-92.2-7.2-171.7-66.3-10.5000114.3P546P546-D548 PolarHBondContact O-N 3.17Å; P546-D548 VanDerWaalsContact O-N 3.11Å
549A39Very low39.2Very low75 Ų75134.9 Ų134.962%0.6271%0.706SS**THydrogen-bonded Turntrans-99.5-11.2-179.500000114.4
550Q42.4Very low39.3Very low107 Ų107137.5 Ų137.550%0.571%0.714SS.*THydrogen-bonded Turntrans-90.5-24.5177.8-78.5175.8-21.200112.9V552 F553 Q554Q550-V552 PolarHBondContact O-N 3.5Å; Q550-F553 PolarHBondContact O-N 3.29Å; Q550-Q554 PolarHBondContact O-N 2.79Å
551E46.5Very low39.7Very low106 Ų106137.5 Ų137.550%0.49571%0.714SS.*Hα-helixtrans-75.5-25.1-175.6-145.3-176.5160.100113.5R555E551-R555 WeakPolarHBondContact O-CG 3.47Å; E551-R555 PolarHBondContact O-N 2.95Å; E551-R555 IonicContact OE1-CZ 3.53Å; E551-R555 IonicContact OE1-NE 3.79Å; E551-R555 IonicContact OE1-NH2 3.68Å; E551-R555 PolarHBondContact OE1-NH2 2.89Å
552V44.4Very low39.9Very low96 Ų96134 Ų13458%0.58271%0.707SS**Hα-helixtrans-74-33.9177.1-178.60000111.4Q550Q550-V552 PolarHBondContact O-N 3.5Å
553F36.3Very low40Very low166 Ų166136.3 Ų136.373%0.72871%0.711SS**Hα-helixtrans-81.8-26.1179.5-116.2-91.6000113.1Q550Q550-F553 PolarHBondContact O-N 3.29Å
554Q49.4Very low40.1Very low124 Ų124132.9 Ų132.958%0.57971%0.707SS**Hα-helixtrans-79.1-26.1176.2-122.99750.200113.7Q550 N558Q550-Q554 PolarHBondContact O-N 2.79Å; Q554-N558 PolarHBondContact O-ND2 2.69Å
555R44.7Very low39.9Very low186 Ų186131.6 Ų131.670%0.70270%0.704SS**Hα-helixtrans-79.3-21.3178-73.6-175.2-174-169.65.1113.6E551E551-R555 WeakPolarHBondContact O-CG 3.47Å; E551-R555 PolarHBondContact O-N 2.95Å; E551-R555 IonicContact OE1-CZ 3.53Å; E551-R555 IonicContact OE1-NE 3.79Å; E551-R555 IonicContact OE1-NH2 3.68Å; E551-R555 PolarHBondContact OE1-NH2 2.89Å
556L38.1Very low39.9Very low142 Ų142133.4 Ų133.474%0.74372%0.715SS**SBendtrans-83.1-10.9178.8-92.6153.3000114
557M41.5Very low39.3Very low153 Ų153131.5 Ų131.575%0.75471%0.714SS**SBendtrans-108.91-174.7-64.9-65.8-79.100114.6
558N38.8Very low38.6Very low119 Ų119131.3 Ų131.364%0.63672%0.72SS**  trans-133.673.6-169.4-68-26.5000113.5Q554Q554-N558 PolarHBondContact O-ND2 2.69Å
559T37.5Very low37.9Very low136 Ų136131.1 Ų131.183%0.83472%0.719SS**  trans-160.591.5149.851.60000110.1
560N30.6Very low37.4Very low153 Ų153133.9 Ų133.982%0.81872%0.723SS**  trans-112.6138.3149.7-77.4-30.9000106
561D36.2Very low36.7Very low152 Ų152136.3 Ų136.381%0.81374%0.74SS**  trans160.8142.9136.1-76.1-18.2000112.4
562T38.1Very low36.1Very low128 Ų128138 Ų13879%0.78575%0.751SS**  trans96.490.1156.760.90000121.9
563D32.6Very low35.2Very low158 Ų158140.4 Ų140.485%0.84576%0.76SS**  47.9128.5112.8-55.7-24.4000124.1
564A37.6Very low35Very low92 Ų92141 Ų14176%0.7676%0.762SS**  trans146.5102.213300000111.9
565V35.1Very low33.9Very low126 Ų126142.6 Ų142.676%0.76477%0.77SS**  91.2133.786.51690000114.8
566D35.2Very low33.3Very low156 Ų156141.2 Ų141.283%0.83477%0.771SS**  trans70.2124.2169.4-61.5-23.4000117.8
567G28.9Very low33.1Very low65 Ų65140.6 Ų140.667%0.6777%0.768SS**  cis104.110733.900000108.7
568I32.9Very low32.4Very low177 Ų177143.2 Ų143.291%0.90877%0.771SS**  trans176.1129.2152.2-86.4146.5000110.2
569N29.3Very low32.2Very low136 Ų136146.2 Ų146.273%0.72778%0.781SS**  trans-70.5166.6172.2-84.9-37.8000113.8
570N29.3Very low31.7Very low133 Ų133146.3 Ų146.371%0.71178%0.776SS**  trans112.5118.1142.7-58.8-44.2000118.2
571N27Very low31.9Very low159 Ų159148.6 Ų148.685%0.8578%0.782SS**  trans27.4105.8134.2-68.5-15.1000118
572I33.8Very low31.5Very low140 Ų140149.8 Ų149.872%0.71878%0.78SS**  trans-137.4104.4151.7-62.3-175.3000109.5F574I572-F574 HydrophobicContact CG2-CD2 3.16Å; I572-F574 HydrophobicContact CG2-CE2 3.37Å; I572-F574 HydrophobicContact CG2-CG 4.29Å
573L26.9Very low31.3Very low148 Ų148150.4 Ų150.478%0.77578%0.779SS**  trans-68.9127.9154174.173.1000108.1
574F31Very low31.4Very low177 Ų177150.1 Ų150.178%0.77677%0.77SS**  trans-138116.1155.1-90.4-69.4000110.6I572I572-F574 HydrophobicContact CG2-CD2 3.16Å; I572-F574 HydrophobicContact CG2-CE2 3.37Å; I572-F574 HydrophobicContact CG2-CG 4.29Å
575Q27.6Very low31Very low158 Ų158155.2 Ų155.274%0.73877%0.771SS**  trans-63.3166.5159.2-68.8167.8-44.600111.2
576H32.1Very low30.7Very low158 Ų158154.3 Ų154.373%0.73177%0.77SS**  trans140.6132154.5-79.5-69000107.8
577D33.5Very low30.3Very low128 Ų128152.5 Ų152.568%0.68476%0.764SS**  cis-168.7166.5-5.4-108.9-14000109.1
578Y26.2Very low30.3Very low208 Ų208155.3 Ų155.382%0.81676%0.764SS**  trans-60.5156.2-177.4-74.7-103.2000117.2
579E33.8Very low30.1Very low182 Ų182153.9 Ų153.985%0.8575%0.753SS**  176.5101.5124-97-178.1-177.500110.8
580L28.9Very low30.1Very low138 Ų138158.2 Ų158.272%0.72376%0.761SS**  53103.6102.8-77.6173.6000116.8
581Q33.1Very low29.9Very low201 Ų201159.6 Ų159.694%0.93976%0.763SS**  trans-149.4107.7130.9-112.2164.328.400110.9
582K28.4Very low29.9Very low178 Ų178158.3 Ų158.377%0.77476%0.756SS**  trans-71.4139.8165.8-75.9171.6173173.60108.9
583D34.7Very low29.6Very low141 Ų141157.4 Ų157.475%0.75476%0.757SS**  trans-175.6140.9138.6-89.2-21000107.1
584K34.2Very low29.8Very low152 Ų152157 Ų15766%0.66176%0.755SS**  cis174.4137.8-16.8-130.9177.5-175.2168.50104.5
585Y28.5Very low29.5Very low199 Ų199154.5 Ų154.578%0.7876%0.755SS**  trans67.5143.6162.4-62.5-76.2000117.8
586S30.4Very low29.8Very low106 Ų106155.9 Ų155.974%0.74176%0.761SS**  cis-163.3144.7-0.8-126.20000109.5
587V26.5Very low29.7Very low119 Ų119157.3 Ų157.372%0.72177%0.765SS**  trans-61.4143.8161.2167.70000110.4
588N29.2Very low29.5Very low123 Ų123159 Ų15966%0.65877%0.773SS**  trans177.4113.4138-85.9-30000109.4
589Q27.2Very low29.6Very low147 Ų147154.5 Ų154.569%0.68777%0.768SS**  64.112199.5-68.5-171.870.100113.1
590Y29.7Very low29.5Very low228 Ų228153.3 Ų153.389%0.89477%0.767SS**  -176122.5117.8-92.8-68.9000110.9
591Q26.2Very low29.6Very low161 Ų161155.5 Ų155.575%0.75277%0.77SS**  trans-93.6148.7170.5-171.797.412.300108.6
592N25.7Very low29.5Very low133 Ų133154.6 Ų154.671%0.71177%0.766SS**  trans81.3156.2155.8-67.5-27.8000121
593V27.8Very low29.5Very low121 Ų121153.4 Ų153.473%0.73377%0.768SS**  trans93.9124.8156.5-168.30000113.3
594N31Very low29.2Very low138 Ų138153.6 Ų153.674%0.73877%0.769SS**  cis-158.8141.818.6-100.6-24.6000107.2
595V25.6Very low28.8Very low126 Ų126150.6 Ų150.676%0.76477%0.767SS**  52.3101.570.3-165.10000116.6
596E33.7Very low28.8Very low187 Ų187147.7 Ų147.787%0.87476%0.764SS**  trans-174.2106.2141.9-112.4175168.400108.9
597K28.5Very low28.7Very low188 Ų188147.6 Ų147.682%0.81776%0.755SS**  52.2107.883.8-89.8-172179.3178.90116.1
598L30.7Very low28.6Very low162 Ų162154 Ų15485%0.84877%0.766SS**  trans171.296.8136.5-95.4149.4000106.7
599V27.9Very low28.6Very low115 Ų115157.5 Ų157.570%0.69777%0.772SS**  44.9101.589.4-173.60000111.2
600D31.8Very low28.7Very low157 Ų157153.3 Ų153.384%0.8477%0.768SS**  -161.7134.8118.2-96.6-29.7000113.8
601K29.9Very low28.7Very low183 Ų183148.1 Ų148.180%0.79676%0.76SS**  trans-83.6139.9174.2-68.2167.3172.2175.40108.7
602Q32.8Very low29Very low182 Ų182146.6 Ų146.685%0.8576%0.757SS**  trans-175.899.9144.5-10116250.900105.7
603N26.4Very low29.2Very low153 Ų153146.2 Ų146.282%0.81876%0.755SS**  38.3139.180.3-85.7-26000114.1
604L29.4Very low29.7Very low145 Ų145148.7 Ų148.776%0.75976%0.759SS**  trans104.993.3174.2-57.9157.8000110.8
605S26.7Very low30Very low89 Ų89149.7 Ų149.762%0.62276%0.758SS**  70.6162.283.273.70000112
606L27.4Very low30.4Very low139 Ų139151 Ų15173%0.72876%0.756SS**  trans89.7135.6-177.2-64.497.7000115.4
607N27.7Very low30.5Very low103 Ų103149 Ų14955%0.55175%0.751SS**  cis-177.5118-15.1-105.2-17.7000103Y609N607-Y609 HydrophobicContact CB-CD2 3.94Å; N607-Y609 HydrophobicContact CB-CE2 4.17Å; N607-Y609 WeakPolarHBondContact ND2-CE2 3.4Å; N607-Y609 PolarHBondContact O-N 3.05Å
608R25.3Very low30.7Very low253 Ų253149.4 Ų149.496%0.95576%0.755SS**  trans-92.487.4158.7-80.3-167.9-74.2-135.2-0.2107.3
609Y28.8Very low30.8Very low198 Ų198148.6 Ų148.678%0.77675%0.752SS**  trans-62.7124.2149.2-80.7-86.6000106N607N607-Y609 HydrophobicContact CB-CD2 3.94Å; N607-Y609 HydrophobicContact CB-CE2 4.17Å; N607-Y609 WeakPolarHBondContact ND2-CE2 3.4Å; N607-Y609 PolarHBondContact O-N 3.05Å
610G29Very low31.2Very low58 Ų58152 Ų15260%0.59876%0.76SS**  81.1121.477.300000107.3
611T30.5Very low31.5Very low120 Ų120152.8 Ų152.874%0.73676%0.762SS**  cis177.9145.435.228.20000107
612N31.3Very low31.9Very low128 Ų128150.2 Ų150.268%0.68476%0.758SS**  trans76.9137.6141.1-59.38.6000118.1
613D31.2Very low32.1Very low126 Ų126143.9 Ų143.967%0.67474%0.741SS**  cis-168.1168.40.3-96.8-32.3000107.6
614E38.1Very low32.7Very low173 Ų173143.4 Ų143.481%0.80874%0.739SS**  trans92.590.5164.5-54-169.715200116.8
615H36.9Very low33.4Very low158 Ų158141.6 Ų141.673%0.73173%0.734SS**  62.7131.482.7-67.9-65.4000112.3
616H33.6Very low34.3Very low155 Ų155144.7 Ų144.772%0.71874%0.736SS**  cis-172.7160.62.9-128.5-51.8000106.7
617L36.2Very low35Very low144 Ų144147 Ų14775%0.75474%0.736SS**  trans91.277164.2-69.5129.5000118.5
618E32.4Very low35.5Very low196 Ų196150.9 Ų150.992%0.91675%0.745SS**  trans-132.599132.2-69.3-159.8-176.400108
619D32.8Very low36.2Very low145 Ų145145.7 Ų145.778%0.77573%0.731SS**  trans-98.2147.8163.1-82-36000108.3
620E36Very low36.9Very low187 Ų187141.3 Ų141.387%0.87472%0.721SS**SBendtrans84.3135.2-179.8-62.5-175.8140.100116.3
621I39.8Very low37.6Very low173 Ų173141.9 Ų141.989%0.88771%0.713SS**SBendtrans92.536.9178.7-35.2155.6000116.1
622N36.9Very low38.1Very low130 Ų130141.5 Ų141.570%0.69571%0.706SS**SBendtrans-134.419.5164.3-1417.1000115
623G36.7Very low38.9Very low49 Ų49140 Ų14051%0.50570%0.698SS.*SBendtrans-93.5-27-177.900000115.7
624D39.5Very low39.7Very low143 Ų143139.4 Ų139.477%0.76570%0.695SS**SBendtrans-95.9-16.5-164.3-66.2-23.4000114.4
625T43.7Very low40.1Very low106 Ų106137 Ų13765%0.6568%0.683SS**SBendtrans-84.7-23.3-177.2-21.50000112.9
626K47Very low40.2Very low155 Ų155136.9 Ų136.967%0.67468%0.681SS**Hα-helixtrans-85.7-10-179-76.7-173.3179.2178.40114.8
627Y41.2Very low40.8Very low188 Ų188134.2 Ų134.274%0.73767%0.672SS**Hα-helixtrans-92.3-16179.3-114.7-87.2000114.1T631Y627-T631 PolarHBondContact O-OG1 2.97Å
628Y38.6Very low41.1Very low184 Ų184130 Ų13072%0.72266%0.659SS**Hα-helixtrans-90.9-31.9-180-93.4-85.5000114.1
629E40.4Very low41.5Very low144 Ų144126.3 Ų126.367%0.67364%0.644SS**Hα-helixtrans-73.1-33.7177.1-85.2-166.4142.200113.6N633E629-N633 PolarHBondContact O-N 3.47Å
630N42.8Very low41.9Very low105 Ų105125.5 Ų125.556%0.56164%0.639SS**Hα-helixtrans-75.6-26.1179.1-79.5-19.9000113.1N634N630-N634 WeakPolarHBondContact O-CB 3.21Å; N630-N634 PolarHBondContact O-N 3.33Å; N630-N634 PolarHBondContact O-ND2 3.11Å
631T44.8Very low42.3Very low71 Ų71122.1 Ų122.144%0.43663%0.631SS.*Hα-helixtrans-77.3-35.1178.6-53.80000112.3Y627 Q635Y627-T631 PolarHBondContact O-OG1 2.97Å; T631-Q635 PolarHBondContact O-N 2.83Å
632L40.9Very low42.1Very low112 Ų112118.1 Ų118.159%0.58662%0.618SS**Hα-helixtrans-76.2-36.6177.3-73.7172.3000112.3Q635 F636L632-Q635 PolarHBondContact O-N 3.4Å; L632-F636 PolarHBondContact O-N 3.46Å; L632-F636 VanDerWaalsContact O-N 3.13Å
633N47.6Very low42Very low97 Ų97118.6 Ų118.652%0.51962%0.621SS.*Hα-helixtrans-71.7-28.5175-81.8-18.7000113.2E629 N637E629-N633 PolarHBondContact O-N 3.47Å; N633-N637 PolarHBondContact O-N 3.07Å; N633-N637 PolarHBondContact O-ND2 3.12Å
634N47.8Very low41.8Very low113 Ų113121.5 Ų121.560%0.60463%0.629SS**Hα-helixtrans-78.2-30.1174.2-74.2-24.8000113.1N630 A638N630-N634 WeakPolarHBondContact O-CB 3.21Å; N630-N634 PolarHBondContact O-N 3.33Å; N630-N634 PolarHBondContact O-ND2 3.11Å; N634-A638 VanDerWaalsContact O-CB 3.3Å; N634-A638 WeakPolarHBondContact O-CB 3.39Å; N634-A638 PolarHBondContact O-N 3.25Å; N634-A638 VanDerWaalsContact O-N 3.16Å
635Q46.3Very low41.4Very low121 Ų121120.8 Ų120.857%0.56563%0.63SS**Hα-helixtrans-74.6-32.7173.5-78.9-172.93.400113.1T631 L632 L639T631-Q635 PolarHBondContact O-N 2.83Å; L632-Q635 PolarHBondContact O-N 3.4Å; Q635-L639 PolarHBondContact O-N 3.03Å
636F39.1Very low40.8Very low156 Ų156121.9 Ų121.968%0.68464%0.637SS**Hα-helixtrans-73.5-35177.8-137.9-94.5000112.5L632 L640L632-F636 PolarHBondContact O-N 3.46Å; L632-F636 VanDerWaalsContact O-N 3.13Å; F636-L640 PolarHBondContact O-N 3.12Å
637N45.9Very low40Very low99 Ų99121.5 Ų121.553%0.52964%0.642SS.*Hα-helixtrans-76.7-30.4175.5-70.7-34.1000113.2N633 V641N633-N637 PolarHBondContact O-N 3.07Å; N633-N637 PolarHBondContact O-ND2 3.12Å; N637-V641 WeakPolarHBondContact O-CG2 3.46Å; N637-V641 PolarHBondContact O-N 3.11Å
638A43.8Very low39.5Very low57 Ų57118.7 Ų118.747%0.47165%0.65SS.*Hα-helixtrans-71.4-27.9174.600000113.4N634 S642N634-A638 VanDerWaalsContact O-CB 3.3Å; N634-A638 WeakPolarHBondContact O-CB 3.39Å; N634-A638 PolarHBondContact O-N 3.25Å; N634-A638 VanDerWaalsContact O-N 3.16Å; A638-S642 PolarHBondContact O-OG 3.29Å
639L39.9Very low39.1Very low117 Ų117116.6 Ų116.661%0.61366%0.657SS**Hα-helixtrans-82.3-24.7177.3-81.7163.1000113.4Q635Q635-L639 PolarHBondContact O-N 3.03Å
640L41.6Very low38.7Very low129 Ų129116.7 Ų116.768%0.67567%0.667SS**Hα-helixtrans-83-24.8177.8-152.166.6000112.9F636F636-L640 PolarHBondContact O-N 3.12Å
641V43.5Very low38.1Very low115 Ų115117.3 Ų117.370%0.69768%0.675SS**SBendtrans-81-16.5174175.50000112.6N637N637-V641 WeakPolarHBondContact O-CG2 3.46Å; N637-V641 PolarHBondContact O-N 3.11Å
642S36.7Very low37.5Very low89 Ų89120.2 Ų120.262%0.62269%0.692SS**THydrogen-bonded Turntrans-91.8-3.1-174.4-60.80000115.2A638A638-S642 PolarHBondContact O-OG 3.29Å
643N34.3Very low37.1Very low140 Ų140121.9 Ų121.975%0.74970%0.702SS**THydrogen-bonded Turntrans-107.716.1-175.3-76.2-24.8000114.5
644T32.4Very low36.2Very low111 Ų111121.4 Ų121.468%0.68171%0.706SS**SBendtrans-132.352.8179.956.60000112.8
645T31Very low35.5Very low128 Ų128123.4 Ų123.479%0.78572%0.716SS**  trans-160109165.7-52.60000111.7
646T31.2Very low34.8Very low128 Ų128122.5 Ų122.579%0.78572%0.724SS**  trans178.3125.8158.125.40000104.6
647N30.5Very low34.4Very low147 Ų147120.5 Ų120.579%0.78672%0.724SS**  cis-155127.72.7-76.2-41.7000106.1
648S31Very low33.8Very low130 Ų130122.9 Ų122.991%0.90974%0.737SS**  trans-163.9105.4150.6-112.50000109.4
649T29.2Very low33.1Very low140 Ų140127.4 Ų127.486%0.85975%0.753SS**  trans-75.7115.617434.60000110.7
650V32.5Very low32.7Very low146 Ų146126.8 Ų126.889%0.88576%0.759SS**  trans-143.9131.3146.4-178.50000108.8
651T31.3Very low32.2Very low118 Ų118126.3 Ų126.372%0.72476%0.761SS**  trans-73144.7-173.131.30000115.6
652T31.2Very low31.5Very low131 Ų131128.2 Ų128.280%0.80477%0.766SS**  trans61.4129.615160.20000116.9
653N32.4Very low31.2Very low148 Ų148128.2 Ų128.279%0.79177%0.767SS**  -167.7152.454.6-157.7-4.8000110.2
654S27.8Very low30.9Very low86 Ų86128.6 Ų128.660%0.60177%0.769SS**  trans-44.6135.4-179.8-190000116
655N33.8Very low30.9Very low155 Ų155129.3 Ų129.383%0.82978%0.778SS**  165.5132.2116.4-82.7-26000113.8
656S32Very low30.8Very low102 Ų102130 Ų13071%0.71378%0.777SS**  trans78.296.4133.6-178.30000121
657V30.8Very low30.8Very low114 Ų114132.1 Ų132.169%0.69178%0.775SS**  44.9116.9128-128.80000119.8
658N33.9Very low30.8Very low149 Ų149132.1 Ų132.180%0.79777%0.773SS**  156.3139.7110.1-78.8-45.1000113.3
659N28.3Very low30.8Very low152 Ų152132 Ų13281%0.81376%0.761SS**  trans-52151.2177.6-61.8-40.3000114.4
660S31.5Very low31Very low105 Ų105134.1 Ų134.173%0.73476%0.761SS**  153.6121.8105.363.40000114.3
661T30.9Very low30.8Very low119 Ų119135.9 Ų135.973%0.7376%0.76SS**  trans60.3140.3136.627.60000125.5
662L29.4Very low30.9Very low154 Ų154136.7 Ų136.781%0.80677%0.765SS**  trans82.7111.5143.2-71.1154.8000116.3
663S29.2Very low31Very low90 Ų90140 Ų14063%0.62977%0.768SS**  93.6116.773.7176.50000112.3
664N28.4Very low31.1Very low147 Ų147137.7 Ų137.779%0.78676%0.763SS**  trans28117.7144.9-57-26.4000118.1
665S33.1Very low31.2Very low126 Ų126140.3 Ų140.388%0.88177%0.77SS**  173139.2115.4-73.20000113.4
666L28.1Very low31.2Very low144 Ų144141.2 Ų141.275%0.75477%0.77SS**  trans-21.7142163.8-103.165.2000120.5
667K32.3Very low31.2Very low172 Ų172140.1 Ų140.175%0.74877%0.767SS**  trans77.4145.1130.1-83.9-177.4-174.8-179.50121.7
668I30.1Very low31.4Very low147 Ų147143.6 Ų143.675%0.75477%0.773SS**  trans84.5134.7155.4-64.5149.3000115.1
669I29.7Very low31.4Very low127 Ų127142.5 Ų142.565%0.65177%0.767SS**  cis-177160.9-12.7-106.9168.3000104.9
670Q33.3Very low31.6Very low185 Ų185141.8 Ų141.886%0.86476%0.764SS**  trans94.7137.9152.2-91.8151.631.500123
671Q29.1Very low31.7Very low182 Ų182144.6 Ų144.685%0.8577%0.769SS**  trans-93155-170.9-63158.3-37.900112.5
672T33.8Very low31.5Very low135 Ų135147.4 Ų147.483%0.82877%0.774SS**  trans-155.2112.414036.40000107.2
673K33Very low31.7Very low202 Ų202146.9 Ų146.988%0.87877%0.771SS**  43128.199.9-74.5-178.9178.1176.10112.6
674S34.1Very low31.6Very low99 Ų99150.4 Ų150.469%0.69278%0.777SS**  cis-172150.143.648.10000112.9
675N29.9Very low31.7Very low140 Ų140153.5 Ų153.575%0.74978%0.779SS**  trans23.5135.9133-44.3-9.4000118.5
676E34.7Very low31.6Very low175 Ų175154.8 Ų154.882%0.81878%0.776SS**  174131.170.7-118.3151.2-137.400107
677A32.3Very low32.1Very low79 Ų79153 Ų15365%0.65377%0.773SS**  76.5151.510700000117.9
678F34Very low32.2Very low186 Ų186151 Ų15182%0.81678%0.776SS**  trans93.798.9174.8-66.1-88000116.4
679N35Very low32.3Very low126 Ų126152 Ų15267%0.67478%0.782SS**  82114.572.3-78.3-16.2000113.9
680D30.6Very low32.6Very low138 Ų138150.1 Ų150.174%0.73879%0.786SS**  trans67.1143.7131.9-66.1-23.4000122.9
681L33.7Very low32.7Very low164 Ų164150.6 Ų150.686%0.85979%0.785SS**  trans107.7102.4152.2-70.8138.8000118.1
682Q27.7Very low33.1Very low178 Ų178150.8 Ų150.883%0.83279%0.786SS**  trans-38.6150.6146.8-63.9174.6-9.400113.3
683I33Very low33Very low142 Ų142152.4 Ų152.473%0.72878%0.783SS**  trans176.998.5137.8-83.9146.4000104.4
684Q27.6Very low33.2Very low164 Ų164150.4 Ų150.477%0.76678%0.781SS**  53.5117.392.7-159.2178.314.300113.7
685Y30.6Very low33.1Very low213 Ų213152 Ų15284%0.83578%0.781SS**  trans171.2112.8132.7-97.7-76000110.9
686N31.2Very low33.5Very low152 Ų152152.6 Ų152.681%0.81378%0.782SS**  trans-94.2179.2152.6-118.3-7.2000106.7
687P38.6Very low33.5Very low106 Ų106150.7 Ų150.769%0.68878%0.778SS**  cis-138.7-166.12.534.8-11.5000113
688V34.6Very low33.9Very low132 Ų132155.3 Ų155.380%0.879%0.786SS**  161.9124.6123.6165.10000110.5
689D30.9Very low34.2Very low167 Ų167153.5 Ų153.589%0.89378%0.784SS**  trans-115.2129.4173.4-1626.8000107.7
690A37.5Very low34.8Very low88 Ų88152.2 Ų152.273%0.72778%0.783SS**  trans-155.1112.4174.900000112.9
691K34.5Very low35.2Very low194 Ų194150.3 Ų150.384%0.84378%0.781SS**  trans-19.6141159.2-66.6166.8175.6173.40116.9
692H38.6Very low35.5Very low187 Ų187150 Ų15087%0.86678%0.78SS**  trans-158.4115.6131.7-113.4-82.2000112
693H31.1Very low36.1Very low169 Ų169144.1 Ų144.178%0.78277%0.767SS**  trans-70.6146159.9-92-76.8000109.7
694L36.5Very low36.7Very low159 Ų159144.3 Ų144.383%0.83277%0.769SS**  trans-162.5121.8145.9-101.3158.2000109.8
695I32.7Very low37.6Very low134 Ų134142 Ų14269%0.68776%0.762SS**  trans-98134173.6-65.5163.5000107.1
696I38.5Very low38.5Very low151 Ų151138 Ų13877%0.77476%0.755SS**  trans-149.8124151.5-57.5-174.2000109.7
697N34.3Very low39.3Very low136 Ų136136.8 Ų136.873%0.72775%0.749SS**  trans-75.3160.6173.4-65.3-50000112.4
698H41.1Very low39.6Very low176 Ų176139.1 Ų139.182%0.81576%0.755SS**  trans-175.6103.5139.6-91.8-61.8000111.1
699D40.7Very low39.6Very low147 Ų147140 Ų14079%0.78676%0.756SS**  34.8165.6113-99.34.4000121.6
700P47.1Very low40.2Very low99 Ų99139.2 Ų139.264%0.64375%0.751SS**  -146.2-165.4-5438.1-15.5000113.4
701S39.6Very low40.6Very low99 Ų99141.9 Ų141.969%0.69275%0.749SS**  trans79.9149.2159102.20000116.6
702N38.4Very low40.9Very low158 Ų158138.2 Ų138.285%0.84574%0.738SS**  cis-165.6164.68.1-89.9-34000104.2
703G41.1Very low41.1Very low54 Ų54135.5 Ų135.556%0.55773%0.73SS**  cis-175.7160.2400000106.3
704N44.5Very low41.6Very low145 Ų145134.3 Ų134.378%0.77573%0.725SS**  86.3129.7109.4-87.649.3000112.8
705D47.7Very low41.7Very low115 Ų115132.6 Ų132.662%0.61571%0.713SS**  cis-160.5138.136.8-70.7-50.5000109.1
706D49.3Very low42.1Very low131 Ų131132.1 Ų132.170%0.70171%0.706SS**  82.3144.8100.2-67.1-5.6000114.3
707D48Very low42.2Very low126 Ų126133.7 Ų133.767%0.67470%0.702SS**  cis-173.4168.3-14.9-116.6-25.2000107.1
708N44.5Very low42.3Very low154 Ų154133.6 Ų133.682%0.82470%0.702SS**  trans117.198.2153.1-56.6-58.6000117.2
709N35.1Very low42.2Very low151 Ų151130.5 Ų130.581%0.80770%0.7SS**  trans-76.5160158.4-69.9-56.4000111.5
710D44.3Very low42Very low150 Ų150133.6 Ų133.680%0.80270%0.7SS**  trans158.9143143-86.8-7.8000107.1
711E44.4Very low41.4Very low145 Ų145137.2 Ų137.268%0.67871%0.708SS**  cis-176.3151.1-16-133-167.7-162.100103.3
712N40.7Very low41.4Very low116 Ų116140.1 Ų140.162%0.6272%0.717SS**  trans68.5146.3154.1-52.5-22.7000118.5
713D43.2Very low41.3Very low131 Ų131143.4 Ų143.470%0.70172%0.717SS**  cis-175.6162.1-10.5-107.2-32000107.1
714E41.6Very low40.8Very low144 Ų144146 Ų14667%0.67372%0.722SS**  trans74.3105.8148.4-70.4-85.4131.700118.7
715E38.6Very low40.9Very low123 Ų123148.6 Ų148.658%0.57573%0.726SS**  92.4138.8102-95.9-156.9163.500112.6
716K41.1Very low40.1Very low124 Ų124152.8 Ų152.854%0.53974%0.739SS.*  cis-177.8153.6-7.1-129.9179.8-166.9156.30106.5
717R40Very low39.5Very low184 Ų184150.7 Ų150.769%0.69474%0.74SS**  trans70.1147.7149.3-63.1168.5179.3133.8-2.3116.8
718N36.8Very low38.9Very low134 Ų134150 Ų15072%0.71775%0.745SS**  cis178.8148.7-13.4-105.2-17.6000105
719S38.9Very low38.6Very low111 Ų111151.8 Ų151.878%0.77675%0.749SS**  trans152.494.3135-172.30000110.3
720R36.7Very low38.4Very low211 Ų211149.4 Ų149.480%0.79675%0.75SS**  67.39579.5-74.3-172.8156.9164.1-4115.7
721Q35.3Very low38.4Very low175 Ų175150.3 Ų150.382%0.81875%0.75SS**  31.7129.7120.8-64.9178.5-2600120.6
722N38.9Very low37.9Very low161 Ų161153 Ų15386%0.86176%0.759SS**  trans163.9145.8137.3-85.2-31.8000108.3
723R35.8Very low37.7Very low227 Ų227156.8 Ų156.886%0.85777%0.77SS**  cis-174.8140.6-8.6173.3179.3176.3-168.21.4105.3
724V30.6Very low37.2Very low109 Ų109156 Ų15666%0.66178%0.776SS**  trans-62.6148.5-177.3177.10000114.6F726V724-F726 HydrophobicContact CG1-CD2 3.99Å; V724-F726 HydrophobicContact CG1-CE2 4.19Å
725K47.3Very low36.9Very low199 Ų199155.4 Ų155.487%0.86578%0.784SS**  trans-155.9135137.9-72.2-153.3179.1-173.50112.4
726F32Very low36.9Very low202 Ų202155 Ų15589%0.88680%0.795SS**  trans-106.6149.7172.4-75.4-89000111V724V724-F726 HydrophobicContact CG1-CD2 3.99Å; V724-F726 HydrophobicContact CG1-CE2 4.19Å
727A36.3Very low36.3Very low87 Ų87160.2 Ų160.272%0.71981%0.813SS**  trans170.2118.4142.200000108.7
728S34.6Very low36Very low112 Ų112157.6 Ų157.678%0.78382%0.821SS**  75.3103.290.3-470000114.2
729E37.7Very low35.8Very low192 Ų192156.1 Ų156.190%0.89782%0.822SS**  163.7141.5125.6-99.6172.9152.900111.7
730A32.4Very low35.6Very low101 Ų101160.4 Ų160.484%0.83583%0.829SS**  trans-113.5116.8176.900000108.4
731E43.9Very low35.5Very low169 Ų169159.7 Ų159.779%0.7984%0.835SS**  trans-113.2130167.7-71.5-166.3162.700110.3
732F34Very low35.5Very low200 Ų200155.4 Ų155.488%0.87783%0.83SS**  trans-67.8126173.7-90.2-111000111.3
733F36.7Very low35.1Very low196 Ų196153.9 Ų153.986%0.8683%0.826SS**  trans-149.7131.3148.3-82.7-72.3000111.4
734S31.6Very low34.9Very low116 Ų116147.9 Ų147.981%0.81182%0.819SS**PPolyproline II helixtrans-62.5148.9-171.8-44.20000115
735P35.9Very low35.2Very low131 Ų131149.9 Ų149.985%0.85182%0.824SS**PPolyproline II helixtrans-82.5119.8164.4-7.825.6000111.2
736S38Very low34.4Very low115 Ų115145.1 Ų145.180%0.80482%0.817SS**PPolyproline II helixtrans-66.1142.3167.454.20000112.2
737Y29.9Very low34.5Very low232 Ų232140 Ų14091%0.9181%0.805SS**PPolyproline II helixtrans-52.4136.6168.7-96.5-107.2000113.3
738C33.7Very low34.4Very low129 Ų129144.8 Ų144.887%0.87281%0.811SS**  trans-154130.9142-120.80000109.8
739S32Very low34.6Very low104 Ų104146.2 Ų146.273%0.72782%0.815SS**  trans-60.3142.9-175.750.50000114.5
740E34.9Very low34.4Very low201 Ų201143.8 Ų143.894%0.93981%0.808SS**  trans-154.5143150.1-112.5163.6-148.100112.2
741Q35.2Very low34.6Very low195 Ų195146 Ų14691%0.91181%0.805SS**  trans-84.9167.9-168.9-61171.79.600111.7
742A34.1Very low34.1Very low86 Ų86142.8 Ų142.871%0.71180%0.801SS**  trans102.395.4155.400000118.6
743T31.2Very low34Very low128 Ų128141.2 Ų141.279%0.78580%0.796SS**  39.8121.312159.20000120.1
744S30.5Very low33.7Very low101 Ų101139.9 Ų139.971%0.70680%0.797SS**  155.3163.4107.4-65.60000112.5
745I37.4Very low33.7Very low151 Ų151139.6 Ų139.677%0.77480%0.795SS**  trans98.194.4160.5-54.7159.2000112.5
746S31.2Very low33.5Very low100 Ų100140.6 Ų140.670%0.69979%0.793SS**  56.8133.685.781.20000112.2
747S34.1Very low33.2Very low93 Ų93144.6 Ų144.665%0.6580%0.797SS**  cis175170.140.242.10000107.8
748F34.2Very low33.4Very low189 Ų189139.7 Ų139.783%0.82979%0.791SS**  trans94.399165.8-76.2-85.9000117.7
749T37.4Very low33.3Very low142 Ų142139.4 Ų139.487%0.87179%0.785SS**  trans-57.3125147.841.20000110.1
750D35.1Very low33.3Very low141 Ų141140.3 Ų140.375%0.75479%0.786SS**  trans-101.6117.4-176.7-142.8-4.4000110.1
751L35.6Very low33.1Very low146 Ų146135.9 Ų135.976%0.76478%0.778SS**  trans28.896.5140.9-57.6172.7000118.4H753L751-H753 PolarHBondContact O-N 3.42Å
752S32.5Very low33.1Very low102 Ų102132.1 Ų132.171%0.71377%0.769SS**SBendtrans-58.7109.8138.352.10000108.9
753H31.9Very low33.1Very low168 Ų168134.1 Ų134.178%0.77877%0.772SS**  trans162.391.4154.5-85.4-60.8000107.1L751L751-H753 PolarHBondContact O-N 3.42Å
754L31.7Very low33.2Very low167 Ų167133.9 Ų133.987%0.87476%0.764SS**  trans172.169.4155.7-91.7145000109.6
755S31.3Very low33.3Very low111 Ų111134.8 Ų134.878%0.77677%0.765SS**  trans-115.884.8161.263.20000107.7
756N31.2Very low33.2Very low151 Ų151133.5 Ų133.581%0.80776%0.759SS**  trans-164.877.2164.3-88.3-23.2000107.3
757F32.8Very low33.3Very low200 Ų200134.8 Ų134.888%0.87776%0.763SS**  trans-129.7105160.1-99.3-78.8000109.8
758T33.4Very low33.4Very low128 Ų128136 Ų13679%0.78577%0.766SS**  trans-65.4128.9174.3-50.50000110.5T760T758-T760 PolarHBondContact O-N 3.32Å
759T31Very low33.5Very low123 Ų123133.2 Ų133.276%0.75577%0.765SS**  trans-54.4117.3171.8-43.90000111.5
760T32Very low33.4Very low123 Ų123133 Ų13376%0.75576%0.764SS**  trans-105.1101.7162-54.60000108.4T758 T762T758-T760 PolarHBondContact O-N 3.32Å; T760-T762 PolarHBondContact O-N 3.34Å
761S31.6Very low33.4Very low108 Ų108132.2 Ų132.276%0.75576%0.764SS**  trans-61.8116.9173.7-61.10000110.4
762T34.3Very low33.3Very low117 Ų117131.9 Ų131.972%0.71877%0.768SS**  trans-107.3109.8168.1-49.70000108.7T760 I764T760-T762 PolarHBondContact O-N 3.34Å; T762-I764 PolarHBondContact O-N 3.39Å
763T34.3Very low33.4Very low127 Ų127133 Ų13378%0.77977%0.771SS**  trans-58.8112.8172.7-55.10000110.1
764I33.9Very low33.6Very low123 Ų123131 Ų13163%0.63177%0.771SS**  trans-99.7111.3165.9-60.9178.3000107.2T762 I766T762-I764 PolarHBondContact O-N 3.39Å; I764-I766 HydrophobicContact CG2-CD1 4.46Å; I764-I766 HydrophobicContact CG2-CG1 3.84Å; I764-I766 PolarHBondContact O-N 3.27Å
765V32.6Very low33.4Very low120 Ų120129.2 Ų129.273%0.72777%0.767SS**  trans-68110.3167.1178.30000107.5
766I34.4Very low33.5Very low125 Ų125130.3 Ų130.364%0.64177%0.769SS**  trans-107100.4169.4-57.2179.4000107.1I764 T768I764-I766 HydrophobicContact CG2-CD1 4.46Å; I764-I766 HydrophobicContact CG2-CG1 3.84Å; I764-I766 PolarHBondContact O-N 3.27Å; I766-T768 HydrophobicContact CG2-CG2 4.09Å; I766-T768 PolarHBondContact O-N 3.47Å
767T33.7Very low33.4Very low126 Ų126129.8 Ų129.877%0.77377%0.772SS**  trans-71.7109.1165.9-39.70000107.5
768T36.3Very low33.4Very low119 Ų119125.6 Ų125.673%0.7376%0.762SS**  trans-108116169.824.30000108.8I766 T770I766-T768 HydrophobicContact CG2-CG2 4.09Å; I766-T768 PolarHBondContact O-N 3.47Å; T768-T770 PolarHBondContact O-N 3.47Å
769T36.3Very low33.3Very low131 Ų131127.3 Ų127.380%0.80477%0.767SS**  trans-70.4113.5170.60.70000108.8T771T769-T771 PolarHBondContact O-N 3.42Å
770T34.6Very low33.4Very low138 Ų138128.6 Ų128.685%0.84777%0.767SS**  trans-63.7114.9169.518.60000109.6T768T768-T770 PolarHBondContact O-N 3.47Å
771T35.5Very low33.4Very low123 Ų123127.7 Ų127.776%0.75577%0.766SS**  trans-106.9110.3162.2-46.40000107.6T769 T773T769-T771 PolarHBondContact O-N 3.42Å; T771-T773 PolarHBondContact O-N 2.74Å
772T34.5Very low33.6Very low139 Ų139128.9 Ų128.985%0.85377%0.771SS**  trans-65.4120.8174.6-240000108.7
773T34.8Very low33.4Very low126 Ų126127.7 Ų127.777%0.77377%0.768SS**  trans-142.9135.1160.3-40.70000110.1T771T771-T773 PolarHBondContact O-N 2.74Å
774T35.4Very low33.3Very low125 Ų125128.7 Ų128.777%0.76777%0.767SS**  trans-73.2146.6-158.5-10.40000113
775T28.2Very low33.2Very low130 Ų130127.8 Ų127.880%0.79877%0.767SS**  trans-38.8134.9168.940.40000115.6
776T32.3Very low33.2Very low134 Ų134129.2 Ų129.282%0.82277%0.77SS**  trans-151.6117.7141.70.50000109.5
777T30.6Very low33Very low140 Ų140128.5 Ų128.586%0.85977%0.772SS**  trans-74120.9174.135.60000109.6
778V32.5Very low33.1Very low113 Ų113129 Ų12969%0.68578%0.775SS**  trans-134.9108.4164.5-166.50000108.6I780V778-I780 HydrophobicContact CG1-CD1 4.24Å; V778-I780 HydrophobicContact CG1-CG1 3.93Å; V778-I780 PolarHBondContact O-N 3.11Å
779N30.6Very low33Very low164 Ų164130.5 Ų130.588%0.87777%0.774SS**  trans-63120.9164.2-78.5-18.5000108.7
780I34.3Very low32.7Very low149 Ų149131.7 Ų131.776%0.76477%0.768SS**  trans-130.2106.6165.2-56.8-179.4000107.6V778V778-I780 HydrophobicContact CG1-CD1 4.24Å; V778-I780 HydrophobicContact CG1-CG1 3.93Å; V778-I780 PolarHBondContact O-N 3.11Å
781S31.5Very low32.7Very low104 Ų104131 Ų13173%0.72776%0.76SS**  trans-65.4143.6165.2-55.90000110
782P34.9Very low32.5Very low133 Ų133132 Ų13286%0.86476%0.759SS**  trans-81.5131.6176.132.3-29.4000109.6
783S30.5Very low32.5Very low92 Ų92134.5 Ų134.564%0.64375%0.754SS**  trans-140.3138.9173.482.30000110.5
784I32.7Very low32.5Very low148 Ų148135.1 Ų135.176%0.75975%0.753SS**  trans82.9131.9152.1-51.4156.9000114.3
785T31.2Very low32.3Very low105 Ų105134 Ų13464%0.64475%0.751SS**  cis-175154.8-16.4320000104.6
786D31.9Very low32.5Very low149 Ų149133.9 Ų133.980%0.79775%0.752SS**  trans-172.385.8140.7-92.5-13.8000107.1
787T31.2Very low32.9Very low110 Ų110136 Ų13668%0.67575%0.753SS**  68.911496.658.70000115.7
788T34.9Very low33.1Very low136 Ų136135.6 Ų135.683%0.83475%0.75SS**  trans145.7133.4139.947.40000107.4
789E33.9Very low32.9Very low152 Ų152136.9 Ų136.971%0.7175%0.752SS**  cis-173.2154.2-14.2-166.7179.1169.800104.4
790F32Very low33.1Very low155 Ų155135.2 Ų135.268%0.6875%0.747SS**  trans100.3103.1167-67.5-81.5000121
791D33.9Very low33.1Very low125 Ų125136.9 Ų136.967%0.66875%0.749SS**  trans68.7103.3135.6-57.2-10.6000120.1
792L31.3Very low33.3Very low142 Ų142139.2 Ų139.274%0.74375%0.752SS**  97.3130.762.8-89.9168.4000113.1
793Y35Very low33.3Very low192 Ų192138.1 Ų138.175%0.75375%0.747SS**  trans102.592.3165.5-77.5-88.6000120.8
794N34Very low33.3Very low140 Ų140143.3 Ų143.375%0.74976%0.758SS**  58.1134.6125.2-57.2-1.6000119.8
795S31.2Very low33.5Very low102 Ų102145.5 Ų145.571%0.71376%0.762SS**  cis-169.9148.922-176.30000110
796P32.8Very low33.7Very low127 Ų127145.3 Ų145.383%0.82577%0.765SS**  trans-130.3134.415735.1-19.7000114.1
797E40.2Very low33.6Very low179 Ų179144 Ų14484%0.83677%0.767SS**  trans-120.9143164.9-63.2-179.915800106.2
798T35.2Very low33.7Very low131 Ų131143.8 Ų143.880%0.80477%0.771SS**  cis-161.3140.930.8-37.40000108.9
799I27.7Very low33.8Very low140 Ų140145.1 Ų145.172%0.71877%0.767SS**  trans-90.6142.2173.1-68.6165.7000108.9K801I799-K801 HydrophobicContact CG2-CG 4.14Å
800T34.3Very low33.6Very low128 Ų128144.4 Ų144.479%0.78577%0.767SS**  trans-139.9115.1150.8-56.30000110.6
801K35Very low33.8Very low185 Ų185142.6 Ų142.680%0.80477%0.773SS**  trans-93.1133.5171.8-70.7172.1174.6173.90109.1I799I799-K801 HydrophobicContact CG2-CG 4.14Å
802I34.7Very low33.9Very low153 Ų153143 Ų14379%0.78578%0.776SS**  trans-147.495.7154.2-53.8-179.7000106.3
803S35.3Very low34.4Very low110 Ų110145 Ų14577%0.76978%0.779SS**  66.7109.791.9-158.90000115.3
804K30.3Very low34.6Very low201 Ų201142.2 Ų142.287%0.87478%0.777SS**  trans-75.5140.2169.5-65.5176.7175.7178.60110.4
805K37.3Very low34.8Very low194 Ų194142.2 Ų142.284%0.84378%0.775SS**  trans-164.3129.6150.9-115.1173.2-175.8-177.60112.5
806S35.6Very low35Very low101 Ų101144.4 Ų144.471%0.70678%0.779SS**  trans51.9109145.749.20000119.1
807S29.7Very low35.1Very low120 Ų120146.1 Ų146.184%0.83978%0.781SS**  45.6102.885.2-85.30000115.2
808S33.6Very low34.9Very low106 Ų106144.6 Ų144.674%0.74178%0.777SS**  165.5129.2112.1-95.30000112.8
809Q36.3Very low35.1Very low164 Ų164145 Ų14577%0.76677%0.774SS**  trans66.3112.9137.6-60.4-162.67.600122.7
810I29.8Very low35.6Very low138 Ų138145.6 Ų145.671%0.70878%0.779SS**  59113.2120.4-53.9159.8000117.8
811S37.2Very low35.7Very low116 Ų116147.9 Ų147.981%0.81179%0.785SS**  -162.4136.2114.675.40000112.3
812D36.1Very low35.8Very low134 Ų134148 Ų14872%0.71779%0.789SS**  trans-52.2146.4-179.3-48.7-62.1000116.1
813K40.9Very low35.9Very low185 Ų185147.5 Ų147.580%0.80479%0.786SS**  166.7147.4109.9-89.6170.1-175.6179.50112.3
814D38.8Very low35.9Very low133 Ų133152.4 Ų152.471%0.71179%0.789SS**  trans85.290.9165.4-50.1-23.5000115.9
815I38Very low36.3Very low139 Ų139152.1 Ų152.171%0.71379%0.788SS**  101.1115.265.4-78.9168.2000110.6
816D36.5Very low36.3Very low148 Ų148150.2 Ų150.279%0.79179%0.787SS**  trans71101.5152.5-52.3-12.7000121.4
817N35.4Very low36.4Very low164 Ų164153 Ų15388%0.87779%0.793SS**  -169.2100105.8-143.7-0.6000110.4
818I35.7Very low36.6Very low147 Ų147155.6 Ų155.675%0.75480%0.797SS**  trans-105.5124.6168.4-64.4173.4000105.2
819D39.4Very low36.9Very low138 Ų138160.2 Ų160.274%0.73880%0.804SS**  trans170.3144.1136.9-84.6-23.1000110.5
820N37Very low37Very low153 Ų153158.3 Ų158.382%0.81880%0.804SS**  trans97.357.6173.2-50.6-52.3000117.5
821L36.9Very low37.6Very low176 Ų176158 Ų15892%0.92181%0.81SS**  trans-130.667.2145.8-172.767.7000109.1
822E36.6Very low37.7Very low188 Ų188156.2 Ų156.288%0.87980%0.795SS**  trans-160.760.8172.8-128.4167-153.500113
823I38Very low37.4Very low142 Ų142155.7 Ų155.773%0.72880%0.796SS**  trans-140135.7162.6-55.6179.4000106.1
824Y35.4Very low37.3Very low213 Ų213152.6 Ų152.684%0.83579%0.792SS**SBendtrans92.238.3-168.6-56.5-76.6000116.6
825K37.9Very low37Very low195 Ų195154.2 Ų154.285%0.84880%0.801SS**SBendtrans-120.7140.7135.6-70.2-176.5179.4174.70106.3
826D38.3Very low37Very low154 Ų154155.2 Ų155.282%0.82481%0.807SS**SBendtrans90.452.3-179.5-60.5-17.8000119.1
827L36Very low37.1Very low160 Ų160156.3 Ų156.384%0.83881%0.807SS**  trans-148.178.3155-88.7170.5000109.8
828L34.7Very low37Very low175 Ų175154.3 Ų154.392%0.91680%0.801SS**  trans-177.464.3144.7-113.292.7000108.9
829K40.1Very low37.3Very low203 Ų203156.7 Ų156.788%0.88381%0.806SS**  trans-108.7102.8156.9-97.5178.5177.8174.20106.5
830T38.2Very low37.4Very low124 Ų124158.4 Ų158.476%0.76181%0.81SS**  trans-74.9129.5165.935.40000109.2
831P43.2Very low37.5Very low130 Ų130157.1 Ų157.184%0.84480%0.803SS**  trans-81.6147.9166.931.9-29.1000110.5
832V37.8Very low37.9Very low80 Ų80156.4 Ų156.449%0.48579%0.792SS.*  trans-108.9141.1-175.3162.50000108.2L366L366-V832 HydrophobicContact CD2-CB 4.04Å; L366-V832 HydrophobicContact CD2-CG1 3.64Å; L366-V832 HydrophobicContact CD2-CG2 3.43Å; L366-V832 VanDerWaalsContact CD2-CG2 3.43Å
833T30.6Very low38Very low123 Ų123153.6 Ų153.676%0.75578%0.783SS**  trans66.2142.6163.254.60000115.8
834V38.5Very low38.1Very low119 Ų119156.3 Ų156.372%0.72179%0.79SS**  cis-161.2133.441.8-150.40000108
835D32.8Very low38.5Very low167 Ų167159 Ų15989%0.89381%0.81SS**  trans-92.4127.9161.3-82.6-39000108.9
836L38.7Very low38.5Very low160 Ų160157.3 Ų157.384%0.83881%0.808SS**  trans-124.791.1167.1-99.1158.8000108.4
837E37Very low38.5Very low171 Ų171157.4 Ų157.480%0.79981%0.808SS**  trans15.7124.1138.7-96179.7178.700120.4
838T34.7Very low38.7Very low122 Ų122157.3 Ų157.375%0.74881%0.806SS**  trans61.2121.5137.619.40000120.3
839K41.2Very low38.9Very low198 Ų198156.2 Ų156.286%0.86180%0.799SS**  -165137.2102.5-102.6173.8-175.8-174.60111.8
840E41.3Very low38.8Very low174 Ų174153.3 Ų153.381%0.81379%0.794SS**  trans-36.5137.2154-72.7162.4129.200111
841D40.8Very low38.8Very low125 Ų125155.3 Ų155.367%0.66880%0.796SS**  170145.592.5-115.2-19.5000111.3
842K43.3Very low38.5Very low162 Ų162157.1 Ų157.170%0.70479%0.793SS**  trans87103.9153-65.5161.3-170174.20119.6
843N38.7Very low38.6Very low129 Ų129163 Ų16369%0.6982%0.817SS**  87.2118.1115.6-67.2-21000119.9
844K40.8Very low39.3Very low199 Ų199166.3 Ų166.387%0.86582%0.822SS**  trans63.9118.9137.5-59.4177.2179.3-1750114.9
845E43.5Very low39.3Very low270 Ų270170.6 Ų170.6100%1.26283%0.831SS**  -156051.5-178.6172.6-170.600110.3

Retrieved 845 of 845 residues in 1025.5 ms (Link to these results)