A0A3Q0KQC8_SCHMA Loading...

RabBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQC8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 940 aa.

						>A0A3Q0KQC8_SCHMA|A0A3Q0KQC8
MANIDMTWPTTTVTVSNEKTVFGQRNGITEKSSSDNIQKSIYSSIQNDIENLNLNYLNEDERQKVLCVVKKDFEVRAKERERLNRFRSSILRRDRELAAKHLTSLTESTSCLLCGRPFILLINPKRICYNCKREICRNCSESINQYNEFFCRMCLKEKNYRAMTCNWFYETVIQRFREFGSTAVAKSLFGSRFKQVQDMAEEELWNLLFRTSSSKRNSIESKESETFYSADQAREAQIKKLRNRLEKLMEETLTELNAVEKNDSLSPRQITWQHESVSMKFKKNACREMRNFIQILYVTTEKERMSQGMNTKNITPYVMDTLEGEIGRIVGYSVKGITDTNSLAVEDDKESVTMVDRDGVEGRLAEVLYNKLYSDLNSMKQETVKKLSFQASSPVSTDTNLNKSSFNFITESDHNNNKHELSVIEGFPIRMEYSIPYNEQCEIQWYKLNNKNQRVPVKFDFRIEHVITGTINMSFKQHQQLNHQYPKHPFVLSNSGFITSETKQKLNQWNCKLLEYESNSNFNTTNNNNGNVVIYLQHHLIIWASKLDDAGRYFASNQYPSNTNDISSTKEKEFILQVIKSNQSPGSPQCSPEFIEPLIVQPMSSTNSDPFIEMTCIVTGNPIPRCLLYRNSVPIPVVVMPFLNIQSNDPLSTLSSLTQKYIVTTSLLDLNKSNRSNSCTRKITLRLNRPSSSEDIATYSCRAWNCYGRTITSTVLSVQDHFTKFDCPLEKPNLNDNNNIVKIDPIQSAVNTSQSAHNNDDTLVRKEESPLITILNESYDGISELKRFEPKYSSSIIEILPENQCIDVNMKNATAIKQTILKENDVIESPKRNIPGLIMKKSYDYDTTSNISSEVDIKNYNTVNISSSKQQTTKITKEVISLREEINVFEHISDDNTSQSNYNQSKRRISLQSTGPKIFIDRRHNRTNRRSSTSSNITEL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	25.3	Very low	25.6	Very low	238 Å²	238	144.2 Å²	144.2	100%	1.172	79%	0.787	S	S	*	*				0	156.8	0	-68.5	177.4	112.1	0	0	108
2	A	28.8	Very low	25.5	Very low	96 Å²	96	140.2 Å²	140.2	79%	0.793	77%	0.771	S	S	*	*			trans	63	83.1	-161.4	0	0	0	0	0	112.9
3	N	26.2	Very low	25.4	Very low	139 Å²	139	139.1 Å²	139.1	74%	0.743	77%	0.77	S	S	*	*			trans	-70	144.1	161.6	-63.1	6.3	0	0	0	108.6
4	I	28	Very low	25.3	Very low	146 Å²	146	136.4 Å²	136.4	75%	0.749	76%	0.76	S	S	*	*			trans	-131.9	92	161.6	-59.4	-178.1	0	0	0	107	M6	I4-M6 HydrophobicContact CG2-CG 4.27Å; I4-M6 PolarHBondContact O-N 2.7Å
5	D	24.2	Very low	25.4	Very low	133 Å²	133	135.9 Å²	135.9	71%	0.711	76%	0.761	S	S	*	*			trans	-67.7	125.7	168.4	-67.4	-71.6	0	0	0	109.5
6	M	26.2	Very low	25.4	Very low	143 Å²	143	132.8 Å²	132.8	70%	0.704	75%	0.751	S	S	*	*			trans	-126.9	69.1	167.1	-79.3	-163.1	-68.6	0	0	109.9	I4 W8	I4-M6 HydrophobicContact CG2-CG 4.27Å; I4-M6 PolarHBondContact O-N 2.7Å; M6-W8 PolarHBondContact O-N 3.44Å; M6-W8 VanDerWaalsContact O-N 3.13Å
7	T	25.5	Very low	25.5	Very low	129 Å²	129	134.5 Å²	134.5	79%	0.791	76%	0.758	S	S	*	*			trans	-64.4	102.9	160.6	50	0	0	0	0	109
8	W	26.6	Very low	25.5	Very low	209 Å²	209	135.4 Å²	135.4	79%	0.792	76%	0.755	S	S	*	*			trans	-75.1	141.8	167.3	-76.6	75.1	0	0	0	109.4	M6 T10	M6-W8 PolarHBondContact O-N 3.44Å; M6-W8 VanDerWaalsContact O-N 3.13Å; W8-T10 PolarHBondContact O-N 3.36Å
9	P	23.3	Very low	25.7	Very low	108 Å²	108	138.7 Å²	138.7	70%	0.701	76%	0.761	S	S	*	*			trans	-70.1	125.7	-167.7	26.7	-34.6	0	0	0	111.7	T11	P9-T11 PolarHBondContact O-N 3.14Å; P9-T11 VanDerWaalsContact O-N 3.1Å
10	T	24.1	Very low	25.9	Very low	119 Å²	119	137.8 Å²	137.8	73%	0.73	76%	0.759	S	S	*	*			trans	-66.7	105.3	164.8	-49.4	0	0	0	0	108.4	W8 T12	W8-T10 PolarHBondContact O-N 3.36Å; T10-T12 HydrophobicContact CG2-CG2 3.84Å; T10-T12 PolarHBondContact O-N 3.35Å
11	T	23.9	Very low	26	Very low	126 Å²	126	137.3 Å²	137.3	77%	0.773	76%	0.76	S	S	*	*			trans	-71.5	75	168.8	-51.1	0	0	0	0	109.5	P9 V13	P9-T11 PolarHBondContact O-N 3.14Å; P9-T11 VanDerWaalsContact O-N 3.1Å; T11-V13 PolarHBondContact O-N 3.09Å; T11-V13 VanDerWaalsContact O-N 3.07Å
12	T	24.2	Very low	26	Very low	96 Å²	96	134.7 Å²	134.7	59%	0.589	74%	0.743	S	S	*	*			trans	-64.1	105.3	165.9	45.6	0	0	0	0	108.2	T10 T14	T10-T12 HydrophobicContact CG2-CG2 3.84Å; T10-T12 PolarHBondContact O-N 3.35Å; T12-T14 PolarHBondContact O-N 3.24Å
13	V	23.6	Very low	26.1	Very low	126 Å²	126	134 Å²	134	76%	0.764	75%	0.745	S	S	*	*			trans	-70.8	80.3	161.9	-177.7	0	0	0	0	107.3	T11 V15	T11-V13 PolarHBondContact O-N 3.09Å; T11-V13 VanDerWaalsContact O-N 3.07Å; V13-V15 PolarHBondContact O-N 3.49Å
14	T	24.4	Very low	26.3	Very low	102 Å²	102	135.6 Å²	135.6	63%	0.626	75%	0.748	S	S	*	*			trans	-67.8	106.9	169.7	46	0	0	0	0	108.1	T12 S16	T12-T14 PolarHBondContact O-N 3.24Å; T14-S16 VanDerWaalsContact C-N 3.26Å; T14-S16 PolarHBondContact O-N 3.39Å
15	V	26.6	Very low	26.5	Very low	129 Å²	129	140.3 Å²	140.3	78%	0.782	76%	0.756	S	S	*	*			trans	-71.8	90.2	164.3	-178.5	0	0	0	0	106.9	V13 N17	V13-V15 PolarHBondContact O-N 3.49Å; V15-N17 PolarHBondContact O-N 3.06Å
16	S	25.5	Very low	26.8	Very low	86 Å²	86	142.1 Å²	142.1	60%	0.601	77%	0.766	S	S	*	*			trans	-70.2	117	-179.2	34.2	0	0	0	0	110.6	T14 E18	T14-S16 VanDerWaalsContact C-N 3.26Å; T14-S16 PolarHBondContact O-N 3.39Å; S16-E18 PolarHBondContact O-N 3.19Å
17	N	26.5	Very low	27	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	77%	0.768	S	S	*	*			trans	-73.2	71.3	172.2	-88.4	-41.2	0	0	0	110.9	V15 K19	V15-N17 PolarHBondContact O-N 3.06Å; N17-K19 PolarHBondContact O-N 2.95Å
18	E	26.6	Very low	27.4	Very low	152 Å²	152	140.6 Å²	140.6	71%	0.71	77%	0.771	S	S	*	*			trans	-81.1	105.4	173.7	-65.9	-152.5	148.9	0	0	111.7	S16 T20	S16-E18 PolarHBondContact O-N 3.19Å; E18-T20 PolarHBondContact O-N 2.91Å
19	K	28.1	Very low	27.6	Very low	198 Å²	198	136.6 Å²	136.6	86%	0.861	77%	0.77	S	S	*	*			trans	-82.6	88.1	168	-71.2	179.7	176.6	177.1	0	110.2	N17	N17-K19 PolarHBondContact O-N 2.95Å
20	T	29.9	Very low	28.1	Very low	119 Å²	119	139 Å²	139	73%	0.73	77%	0.772	S	S	*	*			trans	-111	81.9	178.3	33.6	0	0	0	0	113.2	E18	E18-T20 PolarHBondContact O-N 2.91Å
21	V	28.3	Very low	28.7	Very low	129 Å²	129	140.6 Å²	140.6	78%	0.782	77%	0.769	S	S	*	*			trans	4.7	120.9	149	-178.8	0	0	0	0	118.1
22	F	25.4	Very low	29.5	Very low	183 Å²	183	138.4 Å²	138.4	80%	0.803	76%	0.758	S	S	*	*			trans	33.7	106.9	149	-90	-101.5	0	0	0	119.8	Q24	F22-Q24 HydrophobicContact CD1-CG 4.45Å
23	G	31.3	Very low	30.1	Very low	82 Å²	82	137.1 Å²	137.1	85%	0.845	75%	0.753	S	S	*	*			trans	-138.3	104.1	155	0	0	0	0	0	110.5
24	Q	30.2	Very low	30.9	Very low	171 Å²	171	133.6 Å²	133.6	80%	0.799	74%	0.735	S	S	*	*			trans	-77.9	124.2	-175	-68.3	175.2	-47.9	0	0	112.6	F22	F22-Q24 HydrophobicContact CD1-CG 4.45Å
25	R	31.7	Very low	32	Very low	245 Å²	245	132.6 Å²	132.6	93%	0.925	73%	0.725	S	S	*	*			trans	-156.9	149	141.7	-117.1	166.2	-178.4	156	1.7	111.8
26	N	30.1	Very low	33.1	Very low	172 Å²	172	131.5 Å²	131.5	92%	0.92	72%	0.715	S	S	*	*			trans	-80.1	131.4	-161	-58.6	-18.4	0	0	0	112.5
27	G	30.6	Very low	34.5	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	71%	0.711	S	S	*	*			trans	-149.9	113	172.5	0	0	0	0	0	109.7
28	I	35.4	Very low	35.8	Very low	167 Å²	167	129.1 Å²	129.1	86%	0.856	69%	0.691	S	S	*	*			trans	-54.4	145.2	-163	-66.9	165.4	0	0	0	114.3
29	T	29.3	Very low	37.2	Very low	126 Å²	126	127.8 Å²	127.8	77%	0.773	68%	0.683	S	S	*	*			trans	-82.9	112.1	-173.2	49.1	0	0	0	0	114.4
30	E	35.2	Very low	38.7	Very low	157 Å²	157	121.4 Å²	121.4	73%	0.734	66%	0.663	S	S	*	*			trans	-134	-27.4	164	-69.7	-163.7	139.8	0	0	115.4	S32 S33	E30-S32 PolarHBondContact O-N 2.92Å; E30-S33 PolarHBondContact O-N 2.63Å; E30-S33 PolarHBondContact O-OG 2.83Å; E30-S33 VanDerWaalsContact O-OG 3.12Å
31	K	36.1	Very low	40.3	Very low	153 Å²	153	119.7 Å²	119.7	67%	0.665	65%	0.649	S	S	*	*	H	α-helix	trans	-67.6	5.6	-171.6	-71.2	-177	174	176.4	0	116.6	S34 E854	K31-S34 PolarHBondContact O-OG 2.74Å; K31-E854 IonicContact NZ-OE1 2.93Å; K31-E854 PolarHBondContact NZ-OE1 3Å
32	S	40	Very low	41.8	Very low	80 Å²	80	117.9 Å²	117.9	56%	0.559	63%	0.629	S	S	*	*	H	α-helix	trans	-98.2	-16.8	176.6	59	0	0	0	0	114.5	E30 N36	E30-S32 PolarHBondContact O-N 2.92Å; S32-N36 PolarHBondContact O-ND2 2.71Å
33	S	37.2	Very low	43.5	Very low	69 Å²	69	112.2 Å²	112.2	48%	0.483	61%	0.612	S	S	.	*	H	α-helix	trans	-80.6	-42.9	178.7	60.8	0	0	0	0	111.7	E30 D35 N36 I37	E30-S33 PolarHBondContact O-N 2.63Å; E30-S33 PolarHBondContact O-OG 2.83Å; E30-S33 VanDerWaalsContact O-OG 3.12Å; S33-D35 PolarHBondContact O-N 2.68Å; S33-N36 PolarHBondContact O-N 2.76Å; S33-I37 WeakPolarHBondContact O-CG1 3.33Å; S33-I37 PolarHBondContact O-N 3.42Å
34	S	41.5	Very low	45.4	Very low	53 Å²	53	111.1 Å²	111.1	37%	0.371	59%	0.591	S	S	.	*	H	α-helix	trans	-53.9	-52.5	177.1	50.9	0	0	0	0	112	K31 N36 I37 Q38	K31-S34 PolarHBondContact O-OG 2.74Å; S34-N36 VanDerWaalsContact C-N 3.3Å; S34-N36 PolarHBondContact O-N 3.14Å; S34-I37 PolarHBondContact O-N 2.89Å; S34-Q38 WeakPolarHBondContact O-CB 3.48Å; S34-Q38 PolarHBondContact O-N 2.92Å
35	D	45.7	Very low	46.9	Very low	80 Å²	80	106 Å²	106	43%	0.428	57%	0.569	S	S	.	*	H	α-helix	trans	-61.3	-38	-177.4	-83.6	34.4	0	0	0	112.5	S33 K39	S33-D35 PolarHBondContact O-N 2.68Å; D35-K39 VanDerWaalsContact O-CB 3.29Å; D35-K39 WeakPolarHBondContact O-CB 3.37Å; D35-K39 WeakPolarHBondContact O-CD 3.47Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 3.22Å; D35-K39 IonicContact OD2-NZ 2.7Å
36	N	50.4	Low	48.3	Very low	106 Å²	106	95.5 Å²	95.5	57%	0.567	53%	0.53	S	S	*	.	H	α-helix	trans	-73.8	-37.9	179	-74.4	-26.8	0	0	0	111.8	S32 S33 S34 S40	S32-N36 PolarHBondContact O-ND2 2.71Å; S33-N36 PolarHBondContact O-N 2.76Å; S34-N36 VanDerWaalsContact C-N 3.3Å; S34-N36 PolarHBondContact O-N 3.14Å; N36-S40 WeakPolarHBondContact O-CB 3.47Å; N36-S40 PolarHBondContact O-N 2.91Å; N36-S40 PolarHBondContact O-OG 3.06Å
37	I	54.4	Low	50.2	Low	99 Å²	99	91.5 Å²	91.5	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-43	172.2	-68.6	165.4	0	0	0	110.5	S33 S34 S40 I41	S33-I37 WeakPolarHBondContact O-CG1 3.33Å; S33-I37 PolarHBondContact O-N 3.42Å; S34-I37 PolarHBondContact O-N 2.89Å; I37-S40 PolarHBondContact O-N 3.29Å; I37-S40 PolarHBondContact O-OG 3.01Å; I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CB 3.24Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.34Å; I37-I41 PolarHBondContact O-N 3.49Å
38	Q	54.1	Low	52	Low	98 Å²	98	92.8 Å²	92.8	46%	0.458	50%	0.499	S	S	.	.	H	α-helix	trans	-68.8	-40.8	-178.8	-141.6	170.8	-16.2	0	0	111.1	S34 Y42	S34-Q38 WeakPolarHBondContact O-CB 3.48Å; S34-Q38 PolarHBondContact O-N 2.92Å; Q38-Y42 HydrophobicContact CG-CE1 4.14Å; Q38-Y42 HydrophobicContact CG-CE2 3.99Å; Q38-Y42 PolarHBondContact NE2-OH 2.8Å; Q38-Y42 WeakPolarHBondContact O-CB 3.31Å; Q38-Y42 WeakPolarHBondContact O-CD1 3.24Å; Q38-Y42 VanDerWaalsContact O-CD2 3.31Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.4Å; Q38-Y42 PolarHBondContact O-N 2.59Å
39	K	56.4	Low	53.2	Low	124 Å²	124	87.2 Å²	87.2	54%	0.539	47%	0.47	S	S	.	.	H	α-helix	trans	-62.6	-41.4	171	-73.8	163.9	-170.7	159	0	112.5	D35 Y42 S43	D35-K39 VanDerWaalsContact O-CB 3.29Å; D35-K39 WeakPolarHBondContact O-CB 3.37Å; D35-K39 WeakPolarHBondContact O-CD 3.47Å; D35-K39 WeakPolarHBondContact O-CG 3.49Å; D35-K39 PolarHBondContact O-N 3.22Å; D35-K39 IonicContact OD2-NZ 2.7Å; K39-Y42 PolarHBondContact O-N 3.19Å; K39-S43 WeakPolarHBondContact O-CB 3.47Å; K39-S43 PolarHBondContact O-N 2.89Å; K39-S43 PolarHBondContact O-OG 2.94Å
40	S	59.4	Low	54.7	Low	64 Å²	64	85.8 Å²	85.8	45%	0.448	46%	0.455	S	S	.	.	H	α-helix	trans	-67.4	-43.8	179.1	72.4	0	0	0	0	111.7	N36 I37 Y42 S43 S44	N36-S40 WeakPolarHBondContact O-CB 3.47Å; N36-S40 PolarHBondContact O-N 2.91Å; N36-S40 PolarHBondContact O-OG 3.06Å; I37-S40 PolarHBondContact O-N 3.29Å; I37-S40 PolarHBondContact O-OG 3.01Å; S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact O-N 2.99Å; S40-S43 WeakPolarHBondContact CA-OG 3.47Å; S40-S43 PolarHBondContact O-N 3.45Å; S40-S43 PolarHBondContact O-OG 2.91Å; S40-S44 PolarHBondContact O-N 2.97Å
41	I	63.9	Low	56.2	Low	84 Å²	84	84.1 Å²	84.1	43%	0.431	45%	0.451	S	S	.	.	H	α-helix	trans	-59	-44.7	173.4	-69.6	168.2	0	0	0	110.8	I37 S44 I45	I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CB 3.24Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.34Å; I37-I41 PolarHBondContact O-N 3.49Å; I41-S44 PolarHBondContact O-N 3.22Å; I41-I45 HydrophobicContact CG2-CD1 3.7Å; I41-I45 HydrophobicContact CG2-CG1 4.45Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 3.09Å
42	Y	58.8	Low	58	Low	91 Å²	91	79.7 Å²	79.7	36%	0.357	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-40.5	176.1	-63.8	-16.8	0	0	0	112.2	Q38 K39 S40 Q46 R175	Q38-Y42 HydrophobicContact CG-CE1 4.14Å; Q38-Y42 HydrophobicContact CG-CE2 3.99Å; Q38-Y42 PolarHBondContact NE2-OH 2.8Å; Q38-Y42 WeakPolarHBondContact O-CB 3.31Å; Q38-Y42 WeakPolarHBondContact O-CD1 3.24Å; Q38-Y42 VanDerWaalsContact O-CD2 3.31Å; Q38-Y42 WeakPolarHBondContact O-CD2 3.4Å; Q38-Y42 PolarHBondContact O-N 2.59Å; K39-Y42 PolarHBondContact O-N 3.19Å; S40-Y42 VanDerWaalsContact C-N 3.35Å; S40-Y42 PolarHBondContact O-N 2.99Å; Y42-Q46 WeakPolarHBondContact O-CB 3.34Å; Y42-Q46 PolarHBondContact O-N 3.01Å; Y42-R175 VanDerWaalsContact CE1-CZ 3.47Å; Y42-R175 VanDerWaalsContact CE1-NH1 3.34Å; Y42-R175 VanDerWaalsContact CE1-NH2 3.29Å; Y42-R175 PolarHBondContact OH-NH1 3.44Å
43	S	62.8	Low	59.7	Low	64 Å²	64	80.6 Å²	80.6	45%	0.448	43%	0.433	S	S	.	.	H	α-helix	trans	-66.9	-35.8	175.9	71.8	0	0	0	0	112.9	K39 S40 N47	K39-S43 WeakPolarHBondContact O-CB 3.47Å; K39-S43 PolarHBondContact O-N 2.89Å; K39-S43 PolarHBondContact O-OG 2.94Å; S40-S43 WeakPolarHBondContact CA-OG 3.47Å; S40-S43 PolarHBondContact O-N 3.45Å; S40-S43 PolarHBondContact O-OG 2.91Å; S43-N47 WeakPolarHBondContact O-CB 3.37Å; S43-N47 PolarHBondContact O-N 3.44Å; S43-N47 PolarHBondContact O-ND2 3.36Å
44	S	69.4	Low	61.8	Low	59 Å²	59	78 Å²	78	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-64.6	-53.8	173.6	-166.5	0	0	0	0	110.6	S40 I41 Q46 N47 D48	S40-S44 PolarHBondContact O-N 2.97Å; I41-S44 PolarHBondContact O-N 3.22Å; S44-Q46 PolarHBondContact O-N 2.77Å; S44-N47 CarbonylContact O-C 3.58Å; S44-N47 WeakPolarHBondContact O-CA 3.45Å; S44-N47 WeakPolarHBondContact O-CB 3.32Å; S44-N47 PolarHBondContact O-N 3.5Å; S44-D48 PolarHBondContact O-N 2.95Å; S44-D48 PolarHBondContact OG-OD2 2.94Å
45	I	63.1	Low	63.3	Low	63 Å²	63	78.4 Å²	78.4	32%	0.323	41%	0.411	S	S	.	.	H	α-helix	trans	-60.4	-37.2	-178.7	-65.7	167.9	0	0	0	111	I41 D48 I49 F176	I41-I45 HydrophobicContact CG2-CD1 3.7Å; I41-I45 HydrophobicContact CG2-CG1 4.45Å; I41-I45 WeakPolarHBondContact O-CG1 3.32Å; I41-I45 PolarHBondContact O-N 3.09Å; I45-D48 PolarHBondContact O-N 2.68Å; I45-I49 HydrophobicContact CG2-CD1 3.91Å; I45-I49 WeakPolarHBondContact O-CD1 3.45Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.48Å; I45-I49 PolarHBondContact O-N 3.2Å; I45-F176 HydrophobicContact CG2-CE1 3.98Å
46	Q	60.7	Low	65.2	Low	24 Å²	24	83.1 Å²	83.1	11%	0.112	42%	0.424	C	S	.	.	H	α-helix	trans	-67.6	-42.4	175.3	-168.9	61.3	17	0	0	111.9	Y42 S44 D48 I49 E50 R175 F176	Y42-Q46 WeakPolarHBondContact O-CB 3.34Å; Y42-Q46 PolarHBondContact O-N 3.01Å; S44-Q46 PolarHBondContact O-N 2.77Å; Q46-D48 VanDerWaalsContact C-N 3.32Å; Q46-D48 PolarHBondContact O-N 3.1Å; Q46-I49 PolarHBondContact O-N 3.2Å; Q46-E50 HydrophobicContact CG-CG 4.46Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.34Å; Q46-E50 PolarHBondContact NE2-OE1 2.73Å; Q46-E50 WeakPolarHBondContact O-CB 3.46Å; Q46-E50 WeakPolarHBondContact O-CG 3.48Å; Q46-E50 PolarHBondContact O-N 3.38Å; Q46-R175 PolarHBondContact OE1-O 3.23Å; Q46-F176 PolarHBondContact NE2-O 3.05Å
47	N	69.2	Low	66.9	Low	88 Å²	88	79.1 Å²	79.1	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-40	172.7	-71.8	-22.9	0	0	0	111.7	S43 S44 I49 E50 N51	S43-N47 WeakPolarHBondContact O-CB 3.37Å; S43-N47 PolarHBondContact O-N 3.44Å; S43-N47 PolarHBondContact O-ND2 3.36Å; S44-N47 CarbonylContact O-C 3.58Å; S44-N47 WeakPolarHBondContact O-CA 3.45Å; S44-N47 WeakPolarHBondContact O-CB 3.32Å; S44-N47 PolarHBondContact O-N 3.5Å; N47-I49 VanDerWaalsContact C-N 3.3Å; N47-I49 PolarHBondContact O-N 3.07Å; N47-E50 PolarHBondContact O-N 3.22Å; N47-N51 VanDerWaalsContact O-CB 3.26Å; N47-N51 WeakPolarHBondContact O-CB 3.41Å; N47-N51 PolarHBondContact O-N 3.11Å; N47-N51 PolarHBondContact O-ND2 2.86Å
48	D	68.7	Low	68.4	Low	99 Å²	99	78.2 Å²	78.2	53%	0.529	40%	0.399	S	S	.	.	H	α-helix	trans	-66.8	-31.1	179.3	-64	-40.9	0	0	0	112.1	S44 I45 Q46 L52	S44-D48 PolarHBondContact O-N 2.95Å; S44-D48 PolarHBondContact OG-OD2 2.94Å; I45-D48 PolarHBondContact O-N 2.68Å; Q46-D48 VanDerWaalsContact C-N 3.32Å; Q46-D48 PolarHBondContact O-N 3.1Å; D48-L52 PolarHBondContact O-N 3.24Å
49	I	60.4	Low	69.7	Low	50 Å²	50	78.2 Å²	78.2	26%	0.256	40%	0.399	S	S	.	.	H	α-helix	trans	-77.7	-46.1	173.7	-68.7	165.1	0	0	0	111.1	I45 Q46 N47 N51 L52 F176 A183	I45-I49 HydrophobicContact CG2-CD1 3.91Å; I45-I49 WeakPolarHBondContact O-CD1 3.45Å; I45-I49 VanDerWaalsContact O-CG1 3.28Å; I45-I49 WeakPolarHBondContact O-CG1 3.48Å; I45-I49 PolarHBondContact O-N 3.2Å; Q46-I49 PolarHBondContact O-N 3.2Å; N47-I49 VanDerWaalsContact C-N 3.3Å; N47-I49 PolarHBondContact O-N 3.07Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.23Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.13Å; I49-F176 HydrophobicContact CD1-CD1 3.51Å; I49-F176 HydrophobicContact CD1-CE1 3.84Å; I49-F176 HydrophobicContact CD1-CG 4.45Å; I49-A183 HydrophobicContact CG2-CB 4.25Å
50	E	61.7	Low	71.1	Confident	96 Å²	96	77.6 Å²	77.6	45%	0.449	40%	0.402	S	S	.	.	H	α-helix	trans	-68.2	-26.4	179.4	-72	179.3	-169	0	0	112.6	Q46 N47 R177	Q46-E50 HydrophobicContact CG-CG 4.46Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.34Å; Q46-E50 PolarHBondContact NE2-OE1 2.73Å; Q46-E50 WeakPolarHBondContact O-CB 3.46Å; Q46-E50 WeakPolarHBondContact O-CG 3.48Å; Q46-E50 PolarHBondContact O-N 3.38Å; N47-E50 PolarHBondContact O-N 3.22Å; E50-R177 VanDerWaalsContact CD-NH1 3.3Å; E50-R177 WeakPolarHBondContact OE1-CD 3.19Å; E50-R177 IonicContact OE1-CZ 2.93Å; E50-R177 IonicContact OE1-NE 2.84Å; E50-R177 IonicContact OE1-NH1 3.98Å; E50-R177 PolarHBondContact OE1-NH1 2.94Å; E50-R177 IonicContact OE2-NH1 3.37Å; E50-R177 PolarHBondContact OE2-NH1 3.48Å
51	N	66.5	Low	72.5	Confident	122 Å²	122	78.1 Å²	78.1	65%	0.652	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	17.3	173.2	-63.1	-86	0	0	0	113.1	N47 I49 N53	N47-N51 VanDerWaalsContact O-CB 3.26Å; N47-N51 WeakPolarHBondContact O-CB 3.41Å; N47-N51 PolarHBondContact O-N 3.11Å; N47-N51 PolarHBondContact O-ND2 2.86Å; I49-N51 VanDerWaalsContact C-N 3.27Å; I49-N51 PolarHBondContact O-N 3.23Å; N51-N53 PolarHBondContact O-N 3.36Å
52	L	73.6	Confident	73.6	Confident	61 Å²	61	75.9 Å²	75.9	32%	0.319	38%	0.383	S	S	.	.			trans	-56.5	107.6	179.6	178	65.6	0	0	0	110.6	D48 I49 L54 A183 V184 S187	D48-L52 PolarHBondContact O-N 3.24Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 PolarHBondContact O-N 2.75Å; I49-L52 VanDerWaalsContact O-N 3.13Å; L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD1-CG 4.3Å; L52-L54 HydrophobicContact CD2-CD1 4.47Å; L52-L54 HydrophobicContact CG-CG 4.21Å; L52-A183 HydrophobicContact CD2-CB 4.32Å; L52-V184 HydrophobicContact CD2-CG2 3.97Å; L52-S187 VanDerWaalsContact O-CB 3.28Å; L52-S187 WeakPolarHBondContact O-CB 3.36Å; L52-S187 PolarHBondContact O-OG 3.2Å
53	N	75.4	Confident	74.7	Confident	98 Å²	98	76.1 Å²	76.1	52%	0.524	39%	0.388	S	S	.	.			trans	-115.3	87.8	-172.7	-176.5	4.6	0	0	0	111.8	N51 N55 Y56	N51-N53 PolarHBondContact O-N 3.36Å; N53-N55 PolarHBondContact O-N 2.94Å; N53-N55 WeakPolarHBondContact OD1-CB 3.47Å; N53-N55 PolarHBondContact OD1-N 3.03Å; N53-N55 PolarHBondContact OD1-ND2 2.94Å; N53-Y56 WeakPolarHBondContact O-CD1 3.3Å; N53-Y56 WeakPolarHBondContact O-CE1 3.41Å
54	L	81	Confident	76	Confident	15 Å²	15	79 Å²	79	8%	0.079	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-81.5	15.4	-179.7	-62.3	177.8	0	0	0	114	L52 Y56 L57 V184 S187 L188	L52-L54 HydrophobicContact CD1-CD2 4.1Å; L52-L54 HydrophobicContact CD1-CG 4.3Å; L52-L54 HydrophobicContact CD2-CD1 4.47Å; L52-L54 HydrophobicContact CG-CG 4.21Å; L54-Y56 HydrophobicContact CD2-CE1 4.14Å; L54-Y56 PolarHBondContact O-N 3.47Å; L54-L57 HydrophobicContact CB-CD1 4.11Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 WeakPolarHBondContact O-CB 3.48Å; L54-L57 PolarHBondContact O-N 3.44Å; L54-V184 HydrophobicContact CD1-CB 4.33Å; L54-V184 HydrophobicContact CD1-CG1 3.76Å; L54-V184 HydrophobicContact CD1-CG2 4.36Å; L54-S187 WeakPolarHBondContact CG-OG 3.45Å; L54-S187 PolarHBondContact N-OG 3.01Å; L54-L188 HydrophobicContact CB-CD2 4.15Å; L54-L188 HydrophobicContact CD1-CD2 4.28Å; L54-L188 HydrophobicContact CD1-CG 4.15Å
55	N	74.4	Confident	76.9	Confident	62 Å²	62	78.5 Å²	78.5	33%	0.332	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-71.9	-11.6	-177.2	-71.5	-66.9	0	0	0	114.7	N53 L57 R62 S191	N53-N55 PolarHBondContact O-N 2.94Å; N53-N55 WeakPolarHBondContact OD1-CB 3.47Å; N53-N55 PolarHBondContact OD1-N 3.03Å; N53-N55 PolarHBondContact OD1-ND2 2.94Å; N55-L57 VanDerWaalsContact C-N 3.29Å; N55-R62 VanDerWaalsContact CA-NH2 3.33Å; N55-R62 PolarHBondContact O-NH2 2.59Å; N55-R62 PolarHBondContact OD1-NH1 3.13Å; N55-R62 VanDerWaalsContact OD1-NH1 3.1Å; N55-S191 WeakPolarHBondContact OD1-CB 3.49Å; N55-S191 PolarHBondContact OD1-OG 2.86Å
56	Y	84.1	Confident	78	Confident	178 Å²	178	76.7 Å²	76.7	70%	0.698	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-73.4	-19.1	172.3	65.9	-91.7	0	0	0	113.3	N53 L54	N53-Y56 WeakPolarHBondContact O-CD1 3.3Å; N53-Y56 WeakPolarHBondContact O-CE1 3.41Å; L54-Y56 HydrophobicContact CD2-CE1 4.14Å; L54-Y56 PolarHBondContact O-N 3.47Å
57	L	86	Confident	79.2	Confident	23 Å²	23	78.4 Å²	78.4	12%	0.12	39%	0.391	C	S	.	.	S	Bend	trans	-67.7	136.8	177.3	-63.2	-179.5	0	0	0	110.8	L54 N55 E61 R62 V65 L188	L54-L57 HydrophobicContact CB-CD1 4.11Å; L54-L57 HydrophobicContact CD2-CD1 4.31Å; L54-L57 WeakPolarHBondContact O-CB 3.48Å; L54-L57 PolarHBondContact O-N 3.44Å; N55-L57 VanDerWaalsContact C-N 3.29Å; L57-E61 HydrophobicContact CB-CB 4.02Å; L57-E61 HydrophobicContact CD2-CB 4.14Å; L57-E61 HydrophobicContact CG-CB 4.5Å; L57-R62 HydrophobicContact CB-CG 3.7Å; L57-R62 PolarHBondContact O-NE 3.31Å; L57-V65 HydrophobicContact CD1-CG2 4.16Å; L57-L188 HydrophobicContact CD1-CD2 4.49Å
58	N	87.2	Confident	80.4	Confident	79 Å²	79	79 Å²	79	42%	0.422	40%	0.398	S	S	.	.			trans	-70.9	161.7	170.5	59.9	57.9	0	0	0	111.1	D60 E61 R62	N58-D60 PolarHBondContact O-N 2.8Å; N58-D60 WeakPolarHBondContact OD1-CB 3.34Å; N58-D60 PolarHBondContact OD1-N 2.87Å; N58-E61 VanDerWaalsContact CG-CD 3.4Å; N58-E61 PolarHBondContact N-OE2 2.93Å; N58-E61 VanDerWaalsContact N-OE2 3.14Å; N58-E61 PolarHBondContact ND2-OE1 2.7Å; N58-E61 PolarHBondContact ND2-OE2 2.86Å; N58-E61 VanDerWaalsContact ND2-OE2 3.09Å; N58-E61 WeakPolarHBondContact O-CB 3.31Å; N58-E61 PolarHBondContact O-N 3.44Å; N58-E61 WeakPolarHBondContact OD1-CB 3.02Å; N58-E61 WeakPolarHBondContact OD1-CG 3.34Å; N58-E61 PolarHBondContact OD1-N 2.92Å; N58-R62 WeakPolarHBondContact O-CG 3.42Å; N58-R62 PolarHBondContact O-N 2.9Å
59	E	80.4	Confident	81.4	Confident	99 Å²	99	74.6 Å²	74.6	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-31.5	-172.6	-160.4	72.1	174.7	0	0	112.4	R62 Q63 R192	E59-R62 PolarHBondContact O-N 3.17Å; E59-R62 WeakPolarHBondContact OE2-CD 3.48Å; E59-Q63 WeakPolarHBondContact O-CB 3.47Å; E59-Q63 PolarHBondContact O-N 2.94Å; E59-R192 IonicContact OE1-CZ 3.21Å; E59-R192 VanDerWaalsContact OE1-CZ 3.31Å; E59-R192 IonicContact OE1-NH1 2.66Å; E59-R192 PolarHBondContact OE1-NH1 2.82Å; E59-R192 IonicContact OE1-NH2 3.12Å; E59-R192 PolarHBondContact OE1-NH2 2.82Å; E59-R192 IonicContact OE2-CZ 2.68Å; E59-R192 IonicContact OE2-NH2 3.68Å; E59-R192 PolarHBondContact OE2-NH2 2.79Å
60	D	85.4	Confident	82.6	Confident	110 Å²	110	74.4 Å²	74.4	59%	0.588	37%	0.372	S	S	*	.	H	α-helix	trans	-63	-44	173.1	-100.3	21.6	0	0	0	112.5	N58 K64	N58-D60 PolarHBondContact O-N 2.8Å; N58-D60 WeakPolarHBondContact OD1-CB 3.34Å; N58-D60 PolarHBondContact OD1-N 2.87Å; D60-K64 WeakPolarHBondContact O-CD 3.37Å; D60-K64 WeakPolarHBondContact O-CE 3.27Å; D60-K64 WeakPolarHBondContact O-CG 3.47Å; D60-K64 PolarHBondContact O-N 2.82Å; D60-K64 IonicContact OD2-NZ 3.42Å
61	E	90.5	Very high	84	Confident	76 Å²	76	76.1 Å²	76.1	36%	0.355	38%	0.378	S	S	.	.	H	α-helix	trans	-68.1	-46.4	173.8	-78.1	156.6	-167.4	0	0	111.8	L57 N58 Q63 K64 V65	L57-E61 HydrophobicContact CB-CB 4.02Å; L57-E61 HydrophobicContact CD2-CB 4.14Å; L57-E61 HydrophobicContact CG-CB 4.5Å; N58-E61 VanDerWaalsContact CG-CD 3.4Å; N58-E61 PolarHBondContact N-OE2 2.93Å; N58-E61 VanDerWaalsContact N-OE2 3.14Å; N58-E61 PolarHBondContact ND2-OE1 2.7Å; N58-E61 PolarHBondContact ND2-OE2 2.86Å; N58-E61 VanDerWaalsContact ND2-OE2 3.09Å; N58-E61 WeakPolarHBondContact O-CB 3.31Å; N58-E61 PolarHBondContact O-N 3.44Å; N58-E61 WeakPolarHBondContact OD1-CB 3.02Å; N58-E61 WeakPolarHBondContact OD1-CG 3.34Å; N58-E61 PolarHBondContact OD1-N 2.92Å; E61-Q63 VanDerWaalsContact C-N 3.25Å; E61-Q63 PolarHBondContact O-N 3.03Å; E61-K64 PolarHBondContact O-N 3.4Å; E61-K64 VanDerWaalsContact O-N 3.11Å; E61-V65 WeakPolarHBondContact O-CG2 3.46Å; E61-V65 PolarHBondContact O-N 2.9Å
62	R	85.8	Confident	85.3	Confident	37 Å²	37	72.8 Å²	72.8	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-54.7	-45.1	173.8	-67	-178.4	-167.7	-141.5	12.1	110.4	N55 L57 N58 E59 V65 L66 L188	N55-R62 VanDerWaalsContact CA-NH2 3.33Å; N55-R62 PolarHBondContact O-NH2 2.59Å; N55-R62 PolarHBondContact OD1-NH1 3.13Å; N55-R62 VanDerWaalsContact OD1-NH1 3.1Å; L57-R62 HydrophobicContact CB-CG 3.7Å; L57-R62 PolarHBondContact O-NE 3.31Å; N58-R62 WeakPolarHBondContact O-CG 3.42Å; N58-R62 PolarHBondContact O-N 2.9Å; E59-R62 PolarHBondContact O-N 3.17Å; E59-R62 WeakPolarHBondContact OE2-CD 3.48Å; R62-V65 PolarHBondContact O-N 3.01Å; R62-L66 WeakPolarHBondContact O-CB 3.28Å; R62-L66 PolarHBondContact O-N 3.18Å; R62-L188 HydrophobicContact CB-CD2 4Å; R62-L188 HydrophobicContact CG-CD2 3.81Å
63	Q	82.6	Confident	85.9	Confident	96 Å²	96	69.9 Å²	69.9	45%	0.449	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-36.1	178.6	-173.2	54.8	77.3	0	0	112.6	E59 E61 C67	E59-Q63 WeakPolarHBondContact O-CB 3.47Å; E59-Q63 PolarHBondContact O-N 2.94Å; E61-Q63 VanDerWaalsContact C-N 3.25Å; E61-Q63 PolarHBondContact O-N 3.03Å; Q63-C67 PolarHBondContact NE2-SG 2.93Å; Q63-C67 WeakPolarHBondContact O-CB 3.45Å; Q63-C67 PolarHBondContact O-N 3.22Å; Q63-C67 PolarHBondContact O-SG 2.74Å
64	K	89.2	Confident	86.5	Confident	124 Å²	124	68.2 Å²	68.2	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-48.1	172.9	-71	155.7	-160.7	157.7	0	111.6	D60 E61 C67 V68	D60-K64 WeakPolarHBondContact O-CD 3.37Å; D60-K64 WeakPolarHBondContact O-CE 3.27Å; D60-K64 WeakPolarHBondContact O-CG 3.47Å; D60-K64 PolarHBondContact O-N 2.82Å; D60-K64 IonicContact OD2-NZ 3.42Å; E61-K64 PolarHBondContact O-N 3.4Å; E61-K64 VanDerWaalsContact O-N 3.11Å; K64-C67 WeakPolarHBondContact O-CB 3.49Å; K64-C67 PolarHBondContact O-N 3.44Å; K64-V68 PolarHBondContact O-N 3.26Å
65	V	89.8	Confident	86.9	Confident	49 Å²	49	71.8 Å²	71.8	30%	0.297	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-45.2	176.6	176.5	0	0	0	0	110.3	L57 E61 R62 C67 V68 V69 V184 L188	L57-V65 HydrophobicContact CD1-CG2 4.16Å; E61-V65 WeakPolarHBondContact O-CG2 3.46Å; E61-V65 PolarHBondContact O-N 2.9Å; R62-V65 PolarHBondContact O-N 3.01Å; V65-C67 VanDerWaalsContact C-N 3.27Å; V65-C67 PolarHBondContact O-N 3.5Å; V65-V68 WeakPolarHBondContact O-CA 3.45Å; V65-V68 WeakPolarHBondContact O-CB 3.4Å; V65-V68 PolarHBondContact O-N 3.15Å; V65-V69 HydrophobicContact CG1-CG2 4.2Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.03Å; V65-V184 HydrophobicContact CG1-CG1 3.55Å; V65-L188 HydrophobicContact CB-CD1 4.4Å; V65-L188 HydrophobicContact CG1-CD1 3.97Å
66	L	86.5	Confident	87.4	Confident	25 Å²	25	71.3 Å²	71.3	13%	0.131	35%	0.35	C	S	.	.	H	α-helix	trans	-58.4	-37.6	176.2	-171.7	63.7	0	0	0	112.3	R62 V68 K70 L188 F189 L208	R62-L66 WeakPolarHBondContact O-CB 3.28Å; R62-L66 PolarHBondContact O-N 3.18Å; L66-V68 VanDerWaalsContact C-N 3.33Å; L66-V68 PolarHBondContact O-N 3.31Å; L66-K70 WeakPolarHBondContact O-CB 3.48Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.39Å; L66-K70 PolarHBondContact O-N 3.32Å; L66-L188 HydrophobicContact CB-CD1 4.4Å; L66-L188 HydrophobicContact CD1-CD1 4.42Å; L66-F189 HydrophobicContact CD1-CE2 3.95Å; L66-F189 HydrophobicContact CD1-CZ 3.84Å; L66-F189 HydrophobicContact CD2-CZ 4.39Å; L66-L208 HydrophobicContact CD1-CD2 3.44Å; L66-L208 VanDerWaalsContact CD1-CD2 3.44Å; L66-L208 HydrophobicContact CG-CD2 4.41Å
67	C	85.9	Confident	87.3	Confident	60 Å²	60	64.2 Å²	64.2	41%	0.405	33%	0.328	S	S	.	.	H	α-helix	trans	-69.1	-24.6	173.4	-77.2	0	0	0	0	114.1	Q63 K64 V65 K71	Q63-C67 PolarHBondContact NE2-SG 2.93Å; Q63-C67 WeakPolarHBondContact O-CB 3.45Å; Q63-C67 PolarHBondContact O-N 3.22Å; Q63-C67 PolarHBondContact O-SG 2.74Å; K64-C67 WeakPolarHBondContact O-CB 3.49Å; K64-C67 PolarHBondContact O-N 3.44Å; V65-C67 VanDerWaalsContact C-N 3.27Å; V65-C67 PolarHBondContact O-N 3.5Å; C67-K71 WeakPolarHBondContact O-CG 3.46Å
68	V	92.7	Very high	87.3	Confident	101 Å²	101	68.6 Å²	68.6	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-79.4	-46.4	171.6	176.6	0	0	0	0	110.3	K64 V65 L66 K70 K71 D72	K64-V68 PolarHBondContact O-N 3.26Å; V65-V68 WeakPolarHBondContact O-CA 3.45Å; V65-V68 WeakPolarHBondContact O-CB 3.4Å; V65-V68 PolarHBondContact O-N 3.15Å; L66-V68 VanDerWaalsContact C-N 3.33Å; L66-V68 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact C-N 3.34Å; V68-K70 PolarHBondContact O-N 2.65Å; V68-K71 WeakPolarHBondContact O-CA 3.32Å; V68-K71 WeakPolarHBondContact O-CB 3.5Å; V68-K71 PolarHBondContact O-N 3.32Å; V68-D72 PolarHBondContact O-N 3.07Å
69	V	89.9	Confident	87.3	Confident	6 Å²	6	67.6 Å²	67.6	4%	0.036	34%	0.339	C	S	.	.	H	α-helix	trans	-54.9	-46.6	175.4	165.2	0	0	0	0	111.7	V65 K71 D72 F73 V184 A185 L208	V65-V69 HydrophobicContact CG1-CG2 4.2Å; V65-V69 WeakPolarHBondContact O-CG2 3.29Å; V65-V69 PolarHBondContact O-N 3.03Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.05Å; V69-D72 PolarHBondContact O-N 2.92Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.43Å; V69-F73 VanDerWaalsContact CG1-CE2 3.43Å; V69-F73 HydrophobicContact CG1-CZ 4.41Å; V69-F73 WeakPolarHBondContact O-CD2 3.39Å; V69-F73 PolarHBondContact O-N 2.91Å; V69-F73 VanDerWaalsContact O-N 3.1Å; V69-V184 HydrophobicContact CG2-CB 4.21Å; V69-V184 HydrophobicContact CG2-CG1 3.56Å; V69-A185 HydrophobicContact CG1-CB 3.89Å; V69-L208 HydrophobicContact CG1-CD1 4.46Å
70	K	87	Confident	87.3	Confident	45 Å²	45	66.7 Å²	66.7	20%	0.196	33%	0.331	C	S	.	.	H	α-helix	trans	-57.2	-40.8	174.5	-79.1	-172.8	178.7	-163.9	0	112.5	L66 V68 E74 L208 F209	L66-K70 WeakPolarHBondContact O-CB 3.48Å; L66-K70 VanDerWaalsContact O-CG 3.3Å; L66-K70 WeakPolarHBondContact O-CG 3.39Å; L66-K70 PolarHBondContact O-N 3.32Å; V68-K70 VanDerWaalsContact C-N 3.34Å; V68-K70 PolarHBondContact O-N 2.65Å; K70-E74 PolarHBondContact O-N 3.35Å; K70-L208 HydrophobicContact CD-CD2 4.47Å; K70-L208 WeakPolarHBondContact CE-O 3.46Å; K70-L208 HydrophobicContact CG-CD2 3.96Å; K70-L208 PolarHBondContact NZ-O 3.25Å; K70-F209 HydrophobicContact CB-CE2 3.88Å; K70-F209 HydrophobicContact CB-CZ 3.64Å; K70-F209 HydrophobicContact CD-CE2 4.14Å; K70-F209 HydrophobicContact CD-CZ 4.16Å; K70-F209 HydrophobicContact CG-CE2 3.69Å; K70-F209 HydrophobicContact CG-CZ 3.89Å
71	K	90.3	Very high	87	Confident	133 Å²	133	66.2 Å²	66.2	58%	0.578	33%	0.325	S	S	*	.	H	α-helix	trans	-70.2	-34.8	177.2	-72.2	175.2	179	-174.1	0	113.3	C67 V68 V69 E74 V75	C67-K71 WeakPolarHBondContact O-CG 3.46Å; V68-K71 WeakPolarHBondContact O-CA 3.32Å; V68-K71 WeakPolarHBondContact O-CB 3.5Å; V68-K71 PolarHBondContact O-N 3.32Å; V69-K71 VanDerWaalsContact C-N 3.3Å; V69-K71 PolarHBondContact O-N 3.05Å; K71-E74 WeakPolarHBondContact O-CB 3.26Å; K71-E74 PolarHBondContact O-N 3.09Å; K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 3.35Å
72	D	92.7	Very high	87	Confident	51 Å²	51	67 Å²	67	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-65.6	-44.2	175.3	-172.2	60.8	0	0	0	110.8	V68 V69 E74 V75 R76 S181	V68-D72 PolarHBondContact O-N 3.07Å; V69-D72 PolarHBondContact O-N 2.92Å; D72-E74 VanDerWaalsContact C-N 3.34Å; D72-E74 PolarHBondContact O-N 3.43Å; D72-V75 PolarHBondContact O-N 3.36Å; D72-V75 VanDerWaalsContact O-N 3.16Å; D72-R76 VanDerWaalsContact O-CG 3.32Å; D72-R76 WeakPolarHBondContact O-CG 2.88Å; D72-R76 PolarHBondContact O-N 3.5Å; D72-R76 IonicContact OD2-CZ 2.66Å; D72-R76 VanDerWaalsContact OD2-CZ 3.22Å; D72-R76 IonicContact OD2-NE 2.66Å; D72-R76 PolarHBondContact OD2-NE 3.41Å; D72-R76 IonicContact OD2-NH2 2.68Å; D72-R76 PolarHBondContact OD2-NH2 3.24Å; D72-S181 WeakPolarHBondContact CB-OG 3.46Å; D72-S181 VanDerWaalsContact CG-OG 3.24Å; D72-S181 VanDerWaalsContact OD2-CB 3.23Å; D72-S181 WeakPolarHBondContact OD2-CB 3.41Å; D72-S181 PolarHBondContact OD2-OG 2.88Å
73	F	87.2	Confident	86.9	Confident	0 Å²	0	66 Å²	66	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-35.3	172.3	-63.3	-61.9	0	0	0	113.1	V69 V75 R76 A77 A185 E201 L204 W205 L208	V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.43Å; V69-F73 VanDerWaalsContact CG1-CE2 3.43Å; V69-F73 HydrophobicContact CG1-CZ 4.41Å; V69-F73 WeakPolarHBondContact O-CD2 3.39Å; V69-F73 PolarHBondContact O-N 2.91Å; V69-F73 VanDerWaalsContact O-N 3.1Å; F73-V75 VanDerWaalsContact C-N 3.33Å; F73-V75 PolarHBondContact O-N 3.01Å; F73-R76 PolarHBondContact O-N 3.15Å; F73-A77 WeakPolarHBondContact O-CB 3.35Å; F73-A77 PolarHBondContact O-N 3.28Å; F73-A185 HydrophobicContact CE2-CB 4.18Å; F73-A185 HydrophobicContact CZ-CB 4.38Å; F73-E201 HydrophobicContact CD1-CG 3.83Å; F73-E201 HydrophobicContact CE1-CG 3.65Å; F73-L204 HydrophobicContact CZ-CD2 4.07Å; F73-L204 HydrophobicContact CZ-CG 4.45Å; F73-W205 VanDerWaalsContact C-CZ3 3.46Å; F73-W205 HydrophobicContact CB-CD2 4.31Å; F73-W205 HydrophobicContact CB-CE3 3.25Å; F73-W205 HydrophobicContact CB-CZ3 3.5Å; F73-W205 VanDerWaalsContact CB-CZ3 3.5Å; F73-W205 HydrophobicContact CG-CE3 4.23Å; F73-L208 HydrophobicContact CD2-CD1 3.52Å; F73-L208 HydrophobicContact CE2-CD1 3.36Å; F73-L208 HydrophobicContact CZ-CD1 4.43Å
74	E	87.2	Confident	86.6	Confident	63 Å²	63	62.4 Å²	62.4	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-42.8	170.8	-81.4	179.3	-131	0	0	112	K70 K71 D72 A77 K78 W205 F209	K70-E74 PolarHBondContact O-N 3.35Å; K71-E74 WeakPolarHBondContact O-CB 3.26Å; K71-E74 PolarHBondContact O-N 3.09Å; D72-E74 VanDerWaalsContact C-N 3.34Å; D72-E74 PolarHBondContact O-N 3.43Å; E74-A77 PolarHBondContact O-N 2.89Å; E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CD 3.5Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 2.76Å; E74-K78 IonicContact OE2-NZ 2.65Å; E74-K78 PolarHBondContact OE2-NZ 3.31Å; E74-W205 HydrophobicContact CB-CH2 4.22Å; E74-W205 HydrophobicContact CB-CZ3 4.45Å; E74-W205 HydrophobicContact CG-CH2 3.69Å; E74-W205 HydrophobicContact CG-CZ3 4.03Å; E74-W205 VanDerWaalsContact N-CZ3 3.34Å; E74-F209 HydrophobicContact CG-CE1 4.32Å; E74-F209 HydrophobicContact CG-CZ 4.06Å
75	V	90.1	Very high	86.2	Confident	91 Å²	91	60.7 Å²	60.7	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-65.2	-46.2	178.3	171	0	0	0	0	110.2	K71 D72 F73 A77 K78 E79	K71-V75 VanDerWaalsContact O-CG2 3.24Å; K71-V75 WeakPolarHBondContact O-CG2 3.36Å; K71-V75 PolarHBondContact O-N 3.35Å; D72-V75 PolarHBondContact O-N 3.36Å; D72-V75 VanDerWaalsContact O-N 3.16Å; F73-V75 VanDerWaalsContact C-N 3.33Å; F73-V75 PolarHBondContact O-N 3.01Å; V75-A77 VanDerWaalsContact C-N 3.35Å; V75-A77 PolarHBondContact O-N 3.27Å; V75-K78 PolarHBondContact O-N 2.8Å; V75-E79 WeakPolarHBondContact O-CB 3.31Å; V75-E79 PolarHBondContact O-N 2.76Å
76	R	85.2	Confident	85.9	Confident	51 Å²	51	60.2 Å²	60.2	19%	0.192	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-43.2	175	-65.7	167.8	-170	-109.3	-16.4	112.6	D72 F73 E79 R80 E201	D72-R76 VanDerWaalsContact O-CG 3.32Å; D72-R76 WeakPolarHBondContact O-CG 2.88Å; D72-R76 PolarHBondContact O-N 3.5Å; D72-R76 IonicContact OD2-CZ 2.66Å; D72-R76 VanDerWaalsContact OD2-CZ 3.22Å; D72-R76 IonicContact OD2-NE 2.66Å; D72-R76 PolarHBondContact OD2-NE 3.41Å; D72-R76 IonicContact OD2-NH2 2.68Å; D72-R76 PolarHBondContact OD2-NH2 3.24Å; F73-R76 PolarHBondContact O-N 3.15Å; R76-E79 PolarHBondContact O-N 3.3Å; R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 WeakPolarHBondContact O-CG 3.42Å; R76-R80 PolarHBondContact O-N 3.07Å; R76-E201 WeakPolarHBondContact CD-OE1 3.3Å; R76-E201 IonicContact CZ-OE2 2.68Å; R76-E201 IonicContact NH1-OE2 2.78Å; R76-E201 PolarHBondContact NH1-OE2 2.74Å
77	A	81.5	Confident	85.9	Confident	29 Å²	29	60.4 Å²	60.4	24%	0.24	29%	0.289	C	S	.	.	H	α-helix	trans	-64.1	-44.1	178	0	0	0	0	0	111.6	F73 E74 V75 E79 R80 E81 W205	F73-A77 WeakPolarHBondContact O-CB 3.35Å; F73-A77 PolarHBondContact O-N 3.28Å; E74-A77 PolarHBondContact O-N 2.89Å; V75-A77 VanDerWaalsContact C-N 3.35Å; V75-A77 PolarHBondContact O-N 3.27Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 PolarHBondContact O-N 3Å; A77-R80 PolarHBondContact O-N 3.47Å; A77-E81 WeakPolarHBondContact O-CB 3.21Å; A77-E81 PolarHBondContact O-N 3.45Å; A77-W205 HydrophobicContact CB-CH2 4.47Å; A77-W205 HydrophobicContact CB-CZ2 4.17Å
78	K	86.1	Confident	85.4	Confident	116 Å²	116	59.9 Å²	59.9	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-37.6	174.8	-71.8	162.1	-173.1	160.6	0	112	E74 V75 E81 R82	E74-K78 WeakPolarHBondContact O-CB 3.42Å; E74-K78 WeakPolarHBondContact O-CD 3.5Å; E74-K78 VanDerWaalsContact O-CG 3.24Å; E74-K78 WeakPolarHBondContact O-CG 3.46Å; E74-K78 PolarHBondContact O-N 2.76Å; E74-K78 IonicContact OE2-NZ 2.65Å; E74-K78 PolarHBondContact OE2-NZ 3.31Å; V75-K78 PolarHBondContact O-N 2.8Å; K78-E81 PolarHBondContact O-N 2.94Å; K78-R82 WeakPolarHBondContact O-CB 3.46Å; K78-R82 PolarHBondContact O-N 2.92Å
79	E	86.7	Confident	84.8	Confident	57 Å²	57	57.9 Å²	57.9	27%	0.266	28%	0.277	S	S	.	.	H	α-helix	trans	-70.7	-44.4	177.7	-177.8	55.1	-159.5	0	0	112.1	V75 R76 A77 E81 R82 L83	V75-E79 WeakPolarHBondContact O-CB 3.31Å; V75-E79 PolarHBondContact O-N 2.76Å; R76-E79 PolarHBondContact O-N 3.3Å; A77-E79 VanDerWaalsContact C-N 3.34Å; A77-E79 PolarHBondContact O-N 3Å; E79-E81 VanDerWaalsContact C-N 3.28Å; E79-E81 PolarHBondContact O-N 3.32Å; E79-R82 VanDerWaalsContact CD-NE 3.34Å; E79-R82 WeakPolarHBondContact O-CB 3.37Å; E79-R82 PolarHBondContact O-N 3.14Å; E79-R82 VanDerWaalsContact O-N 3.08Å; E79-R82 IonicContact OE1-CZ 3.31Å; E79-R82 IonicContact OE1-NE 2.89Å; E79-R82 PolarHBondContact OE1-NE 2.98Å; E79-R82 IonicContact OE1-NH2 3.5Å; E79-R82 PolarHBondContact OE1-NH2 3.28Å; E79-R82 WeakPolarHBondContact OE2-CD 3.48Å; E79-R82 IonicContact OE2-CZ 3.49Å; E79-R82 IonicContact OE2-NE 3.24Å; E79-R82 PolarHBondContact OE2-NE 3.21Å; E79-R82 IonicContact OE2-NH2 2.87Å; E79-L83 HydrophobicContact CG-CD1 4.26Å; E79-L83 WeakPolarHBondContact O-CG 3.28Å; E79-L83 PolarHBondContact O-N 2.83Å; E79-L83 WeakPolarHBondContact OE1-CG 3.42Å
80	R	80.9	Confident	84.4	Confident	80 Å²	80	58.2 Å²	58.2	30%	0.302	28%	0.279	S	S	.	.	H	α-helix	trans	-54.7	-45.3	168.9	-76.1	-172	-75.5	-96.5	8.8	111.1	R76 A77 R82 N84 E201	R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 WeakPolarHBondContact O-CG 3.42Å; R76-R80 PolarHBondContact O-N 3.07Å; A77-R80 PolarHBondContact O-N 3.47Å; R80-R82 PolarHBondContact O-N 2.88Å; R80-N84 VanDerWaalsContact O-CB 3.26Å; R80-N84 WeakPolarHBondContact O-CB 3.17Å; R80-N84 PolarHBondContact O-N 2.83Å; R80-N84 PolarHBondContact O-ND2 3.18Å; R80-E201 IonicContact CZ-OE1 3.65Å; R80-E201 VanDerWaalsContact CZ-OE1 3.24Å; R80-E201 IonicContact NH1-OE1 2.99Å; R80-E201 PolarHBondContact NH1-OE1 2.86Å; R80-E201 IonicContact NH2-OE1 2.68Å; R80-E201 PolarHBondContact NH2-OE1 3.31Å
81	E	79.6	Confident	83.9	Confident	101 Å²	101	57.6 Å²	57.6	47%	0.472	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-37.6	176.1	-158.7	-144	160.4	0	0	112.2	A77 K78 E79 R85	A77-E81 WeakPolarHBondContact O-CB 3.21Å; A77-E81 PolarHBondContact O-N 3.45Å; K78-E81 PolarHBondContact O-N 2.94Å; E79-E81 VanDerWaalsContact C-N 3.28Å; E79-E81 PolarHBondContact O-N 3.32Å; E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 WeakPolarHBondContact O-CG 3.39Å; E81-R85 PolarHBondContact O-N 3.32Å; E81-R85 VanDerWaalsContact O-N 3.08Å; E81-R85 PolarHBondContact O-NE 2.85Å; E81-R85 IonicContact OE1-CZ 2.75Å; E81-R85 IonicContact OE1-NE 3.18Å; E81-R85 PolarHBondContact OE1-NE 3.46Å; E81-R85 IonicContact OE1-NH1 2.67Å; E81-R85 PolarHBondContact OE1-NH1 2.89Å; E81-R85 IonicContact OE1-NH2 3.33Å; E81-R85 PolarHBondContact OE1-NH2 2.81Å; E81-R85 IonicContact OE2-CZ 3.65Å; E81-R85 VanDerWaalsContact OE2-CZ 3.23Å; E81-R85 IonicContact OE2-NH1 3.73Å; E81-R85 PolarHBondContact OE2-NH1 3.17Å; E81-R85 IonicContact OE2-NH2 3.66Å; E81-R85 PolarHBondContact OE2-NH2 2.92Å
82	R	90.1	Very high	83.2	Confident	91 Å²	91	57.7 Å²	57.7	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-64.9	-50.7	177.5	-169.5	-167.9	72.3	84.6	2.2	111.5	K78 E79 R80 R85 F86 M163	K78-R82 WeakPolarHBondContact O-CB 3.46Å; K78-R82 PolarHBondContact O-N 2.92Å; E79-R82 VanDerWaalsContact CD-NE 3.34Å; E79-R82 WeakPolarHBondContact O-CB 3.37Å; E79-R82 PolarHBondContact O-N 3.14Å; E79-R82 VanDerWaalsContact O-N 3.08Å; E79-R82 IonicContact OE1-CZ 3.31Å; E79-R82 IonicContact OE1-NE 2.89Å; E79-R82 PolarHBondContact OE1-NE 2.98Å; E79-R82 IonicContact OE1-NH2 3.5Å; E79-R82 PolarHBondContact OE1-NH2 3.28Å; E79-R82 WeakPolarHBondContact OE2-CD 3.48Å; E79-R82 IonicContact OE2-CZ 3.49Å; E79-R82 IonicContact OE2-NE 3.24Å; E79-R82 PolarHBondContact OE2-NE 3.21Å; E79-R82 IonicContact OE2-NH2 2.87Å; R80-R82 PolarHBondContact O-N 2.88Å; R82-R85 PolarHBondContact O-N 3.31Å; R82-F86 PolarHBondContact O-N 3.06Å; R82-F86 VanDerWaalsContact O-N 3.12Å; R82-M163 PolarHBondContact NH1-SD 2.85Å
83	L	82.9	Confident	82.5	Confident	17 Å²	17	60.3 Å²	60.3	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-50.1	177.4	-70.1	171.1	0	0	0	110.6	E79 R85 F86 R87 Y160 M163 T164	E79-L83 HydrophobicContact CG-CD1 4.26Å; E79-L83 WeakPolarHBondContact O-CG 3.28Å; E79-L83 PolarHBondContact O-N 2.83Å; E79-L83 WeakPolarHBondContact OE1-CG 3.42Å; L83-R85 VanDerWaalsContact C-N 3.35Å; L83-R85 PolarHBondContact O-N 2.87Å; L83-F86 WeakPolarHBondContact O-CB 3.36Å; L83-F86 PolarHBondContact O-N 3.39Å; L83-F86 VanDerWaalsContact O-N 3.07Å; L83-R87 PolarHBondContact O-N 3.44Å; L83-Y160 HydrophobicContact CB-CE2 4.13Å; L83-Y160 HydrophobicContact CD2-CE2 4.26Å; L83-Y160 WeakPolarHBondContact O-CE2 3.07Å; L83-M163 HydrophobicContact CD2-CB 3.84Å; L83-T164 HydrophobicContact CD1-CG2 4.36Å; L83-T164 HydrophobicContact CD2-CG2 4.17Å
84	N	77.3	Confident	82.1	Confident	21 Å²	21	62.4 Å²	62.4	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-43.7	179.3	-85.9	-72.2	0	0	0	112.9	R80 F86 R87 S88 E350 M354	R80-N84 VanDerWaalsContact O-CB 3.26Å; R80-N84 WeakPolarHBondContact O-CB 3.17Å; R80-N84 PolarHBondContact O-N 2.83Å; R80-N84 PolarHBondContact O-ND2 3.18Å; N84-F86 VanDerWaalsContact C-N 3.35Å; N84-F86 PolarHBondContact O-N 3.23Å; N84-R87 WeakPolarHBondContact O-CB 3.47Å; N84-R87 PolarHBondContact O-N 2.83Å; N84-S88 PolarHBondContact O-N 3.33Å; N84-S88 PolarHBondContact O-OG 3.22Å; N84-E350 PolarHBondContact ND2-OE1 3.35Å; N84-M354 HydrophobicContact CB-CE 3.94Å; N84-M354 WeakPolarHBondContact OD1-CE 3.28Å; N84-M354 VanDerWaalsContact OD1-CG 3.27Å; N84-M354 WeakPolarHBondContact OD1-CG 3.3Å
85	R	80.1	Confident	81.4	Confident	88 Å²	88	64.3 Å²	64.3	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-39.5	175.5	-74	176	-72	-162.8	-10.9	113	E81 R82 L83 S89 S794	E81-R85 WeakPolarHBondContact O-CB 3.36Å; E81-R85 WeakPolarHBondContact O-CG 3.39Å; E81-R85 PolarHBondContact O-N 3.32Å; E81-R85 VanDerWaalsContact O-N 3.08Å; E81-R85 PolarHBondContact O-NE 2.85Å; E81-R85 IonicContact OE1-CZ 2.75Å; E81-R85 IonicContact OE1-NE 3.18Å; E81-R85 PolarHBondContact OE1-NE 3.46Å; E81-R85 IonicContact OE1-NH1 2.67Å; E81-R85 PolarHBondContact OE1-NH1 2.89Å; E81-R85 IonicContact OE1-NH2 3.33Å; E81-R85 PolarHBondContact OE1-NH2 2.81Å; E81-R85 IonicContact OE2-CZ 3.65Å; E81-R85 VanDerWaalsContact OE2-CZ 3.23Å; E81-R85 IonicContact OE2-NH1 3.73Å; E81-R85 PolarHBondContact OE2-NH1 3.17Å; E81-R85 IonicContact OE2-NH2 3.66Å; E81-R85 PolarHBondContact OE2-NH2 2.92Å; R82-R85 PolarHBondContact O-N 3.31Å; L83-R85 VanDerWaalsContact C-N 3.35Å; L83-R85 PolarHBondContact O-N 2.87Å; R85-S89 WeakPolarHBondContact O-CB 3.43Å; R85-S89 PolarHBondContact O-N 2.95Å; R85-S89 VanDerWaalsContact O-N 3.07Å; R85-S794 WeakPolarHBondContact CD-OG 3.35Å; R85-S794 PolarHBondContact NH1-OG 2.87Å
86	F	84.4	Confident	80.7	Confident	38 Å²	38	63.7 Å²	63.7	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175	-161.7	-91.7	0	0	0	110.9	R82 L83 N84 S89 I90 Y160 M163	R82-F86 PolarHBondContact O-N 3.06Å; R82-F86 VanDerWaalsContact O-N 3.12Å; L83-F86 WeakPolarHBondContact O-CB 3.36Å; L83-F86 PolarHBondContact O-N 3.39Å; L83-F86 VanDerWaalsContact O-N 3.07Å; N84-F86 VanDerWaalsContact C-N 3.35Å; N84-F86 PolarHBondContact O-N 3.23Å; F86-S89 WeakPolarHBondContact O-CB 3.49Å; F86-S89 PolarHBondContact O-N 2.83Å; F86-I90 HydrophobicContact CD1-CD1 3.71Å; F86-I90 HydrophobicContact CD1-CG1 4.47Å; F86-I90 HydrophobicContact CE1-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.35Å; F86-I90 PolarHBondContact O-N 2.95Å; F86-I90 VanDerWaalsContact O-N 3.15Å; F86-Y160 AromaticContact CD1-CD2 3.89Å; F86-Y160 HydrophobicContact CD1-CD2 3.89Å; F86-Y160 HydrophobicContact CD1-CG 4.44Å; F86-M163 HydrophobicContact CD1-CE 3.56Å; F86-M163 HydrophobicContact CD2-CE 3.98Å; F86-M163 HydrophobicContact CE1-CE 3.43Å; F86-M163 VanDerWaalsContact CE1-CE 3.43Å; F86-M163 HydrophobicContact CE2-CE 3.88Å; F86-M163 HydrophobicContact CG-CE 3.82Å; F86-M163 HydrophobicContact CZ-CE 3.6Å
87	R	86.3	Confident	80.1	Confident	29 Å²	29	61.6 Å²	61.6	11%	0.109	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-49	176.5	-172.5	50.7	172.2	155.8	-10.6	112.5	L83 N84 S89 I90 L91 E157 Y160	L83-R87 PolarHBondContact O-N 3.44Å; N84-R87 WeakPolarHBondContact O-CB 3.47Å; N84-R87 PolarHBondContact O-N 2.83Å; R87-S89 VanDerWaalsContact C-N 3.27Å; R87-S89 PolarHBondContact O-N 2.94Å; R87-I90 PolarHBondContact O-N 3.1Å; R87-L91 HydrophobicContact CG-CD1 3.98Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 3.1Å; R87-E157 IonicContact CZ-OE1 2.69Å; R87-E157 IonicContact CZ-OE2 3.16Å; R87-E157 IonicContact NH1-OE1 2.69Å; R87-E157 PolarHBondContact NH1-OE1 3.43Å; R87-E157 IonicContact NH1-OE2 3.23Å; R87-E157 PolarHBondContact NH1-OE2 3.1Å; R87-E157 IonicContact NH2-OE1 2.79Å; R87-E157 PolarHBondContact NH2-OE1 2.89Å; R87-Y160 HydrophobicContact CB-CD2 4.32Å; R87-Y160 HydrophobicContact CB-CE1 4.46Å; R87-Y160 HydrophobicContact CB-CE2 3.68Å; R87-Y160 HydrophobicContact CG-CE1 4.27Å; R87-Y160 HydrophobicContact CG-CE2 4.35Å
88	S	75.2	Confident	79.5	Confident	49 Å²	49	62.4 Å²	62.4	34%	0.343	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-36.7	175.8	-56.7	0	0	0	0	112.1	N84 R92	N84-S88 PolarHBondContact O-N 3.33Å; N84-S88 PolarHBondContact O-OG 3.22Å; S88-R92 WeakPolarHBondContact O-CB 3.29Å; S88-R92 PolarHBondContact O-N 3.28Å
89	S	80.5	Confident	78.5	Confident	60 Å²	60	60.3 Å²	60.3	42%	0.42	29%	0.29	S	S	.	.	H	α-helix	trans	-63.2	-43.2	176.2	-168	0	0	0	0	112.4	R85 F86 R87 R93	R85-S89 WeakPolarHBondContact O-CB 3.43Å; R85-S89 PolarHBondContact O-N 2.95Å; R85-S89 VanDerWaalsContact O-N 3.07Å; F86-S89 WeakPolarHBondContact O-CB 3.49Å; F86-S89 PolarHBondContact O-N 2.83Å; R87-S89 VanDerWaalsContact C-N 3.27Å; R87-S89 PolarHBondContact O-N 2.94Å; S89-R93 WeakPolarHBondContact O-CB 3.22Å; S89-R93 PolarHBondContact O-N 2.9Å
90	I	80.9	Confident	77.4	Confident	13 Å²	13	64.4 Å²	64.4	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-65.6	-53.5	175.7	-62.8	165.1	0	0	0	110.4	F86 R87 R92 R93 D94 M153 K156	F86-I90 HydrophobicContact CD1-CD1 3.71Å; F86-I90 HydrophobicContact CD1-CG1 4.47Å; F86-I90 HydrophobicContact CE1-CD1 3.7Å; F86-I90 WeakPolarHBondContact O-CG1 3.35Å; F86-I90 PolarHBondContact O-N 2.95Å; F86-I90 VanDerWaalsContact O-N 3.15Å; R87-I90 PolarHBondContact O-N 3.1Å; I90-R92 PolarHBondContact O-N 3.4Å; I90-R93 PolarHBondContact O-N 3.29Å; I90-R93 VanDerWaalsContact O-N 3.16Å; I90-D94 PolarHBondContact O-N 2.85Å; I90-M153 HydrophobicContact CG2-CE 3.94Å; I90-M153 WeakPolarHBondContact O-CE 3.35Å; I90-K156 HydrophobicContact CD1-CB 4.1Å; I90-K156 HydrophobicContact CG1-CB 4.08Å
91	L	77.6	Confident	76.4	Confident	32 Å²	32	64.1 Å²	64.1	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-58.9	-45.5	-177.1	-73.5	172.2	0	0	0	112.1	R87 R93 D94 R95 V355	R87-L91 HydrophobicContact CG-CD1 3.98Å; R87-L91 WeakPolarHBondContact O-CG 3.37Å; R87-L91 PolarHBondContact O-N 3.1Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.92Å; L91-D94 PolarHBondContact O-N 3.39Å; L91-R95 WeakPolarHBondContact O-CG 3.37Å; L91-R95 PolarHBondContact O-N 2.75Å; L91-R95 VanDerWaalsContact O-N 3.09Å; L91-V355 HydrophobicContact CD1-CG2 3.99Å
92	R	74.4	Confident	75	Confident	135 Å²	135	66.4 Å²	66.4	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-55.8	-49.7	175.8	174.7	-177.4	167.3	144.4	10.5	111	S88 I90 D94 R95 E96	S88-R92 WeakPolarHBondContact O-CB 3.29Å; S88-R92 PolarHBondContact O-N 3.28Å; I90-R92 PolarHBondContact O-N 3.4Å; R92-D94 PolarHBondContact O-N 2.64Å; R92-R95 PolarHBondContact O-N 2.9Å; R92-E96 IonicContact CZ-OE1 3.92Å; R92-E96 IonicContact NE-OE1 3.73Å; R92-E96 PolarHBondContact NE-OE1 3.38Å; R92-E96 IonicContact NH2-OE1 2.69Å; R92-E96 PolarHBondContact NH2-OE1 3.22Å; R92-E96 WeakPolarHBondContact O-CG 3.44Å; R92-E96 PolarHBondContact O-N 2.92Å
93	R	79.1	Confident	72.9	Confident	106 Å²	106	68.1 Å²	68.1	40%	0.4	35%	0.345	S	S	.	.	H	α-helix	trans	-68.7	-32.8	-176.7	-176.5	168.4	169.8	81.8	6.3	112.2	S89 I90 L91 E96 L97 L113 M153	S89-R93 WeakPolarHBondContact O-CB 3.22Å; S89-R93 PolarHBondContact O-N 2.9Å; I90-R93 PolarHBondContact O-N 3.29Å; I90-R93 VanDerWaalsContact O-N 3.16Å; L91-R93 VanDerWaalsContact C-N 3.34Å; L91-R93 PolarHBondContact O-N 2.92Å; R93-E96 PolarHBondContact O-N 3.46Å; R93-L97 HydrophobicContact CG-CD1 4.46Å; R93-L97 WeakPolarHBondContact O-CD1 3.34Å; R93-L97 WeakPolarHBondContact O-CG 3.41Å; R93-L97 PolarHBondContact O-N 3.39Å; R93-L113 PolarHBondContact NH2-O 3.31Å; R93-M153 HydrophobicContact CB-CE 3.79Å; R93-M153 HydrophobicContact CB-SD 4.18Å; R93-M153 WeakPolarHBondContact CD-SD 3.42Å; R93-M153 HydrophobicContact CG-CE 3.92Å; R93-M153 HydrophobicContact CG-SD 3.69Å
94	D	78.7	Confident	71	Confident	44 Å²	44	69 Å²	69	24%	0.235	35%	0.352	C	S	.	.	H	α-helix	trans	-70.3	-34.3	174	-161.1	68.8	0	0	0	112.7	I90 L91 R92 L97 A98 R133 M153	I90-D94 PolarHBondContact O-N 2.85Å; L91-D94 PolarHBondContact O-N 3.39Å; R92-D94 PolarHBondContact O-N 2.64Å; D94-L97 WeakPolarHBondContact O-CB 3.47Å; D94-L97 PolarHBondContact O-N 2.69Å; D94-A98 WeakPolarHBondContact O-CB 3.49Å; D94-A98 PolarHBondContact O-N 2.85Å; D94-R133 IonicContact OD1-CZ 2.67Å; D94-R133 IonicContact OD1-NE 2.93Å; D94-R133 PolarHBondContact OD1-NE 3.08Å; D94-R133 IonicContact OD1-NH2 2.65Å; D94-R133 PolarHBondContact OD1-NH2 2.94Å; D94-R133 IonicContact OD2-NH2 3.19Å; D94-R133 PolarHBondContact OD2-NH2 2.98Å; D94-M153 HydrophobicContact CB-CE 4.33Å
95	R	71.9	Confident	69.4	Low	102 Å²	102	76 Å²	76	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-44.2	169.1	-64.1	-177.5	-147.2	168.8	-0.8	112.7	L91 R92 L97 A98 A99 D356	L91-R95 WeakPolarHBondContact O-CG 3.37Å; L91-R95 PolarHBondContact O-N 2.75Å; L91-R95 VanDerWaalsContact O-N 3.09Å; R92-R95 PolarHBondContact O-N 2.9Å; R95-L97 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact O-N 3.16Å; R95-A98 PolarHBondContact O-N 2.89Å; R95-A99 PolarHBondContact O-N 2.9Å; R95-D356 PolarHBondContact NH1-O 3.24Å; R95-D356 VanDerWaalsContact NH2-N 3.16Å; R95-D356 PolarHBondContact NH2-O 2.99Å
96	E	74.9	Confident	68.1	Low	78 Å²	78	77 Å²	77	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-60.7	-20.3	175.4	-72.2	174.8	-177.9	0	0	112.5	R92 R93 K100	R92-E96 IonicContact CZ-OE1 3.92Å; R92-E96 IonicContact NE-OE1 3.73Å; R92-E96 PolarHBondContact NE-OE1 3.38Å; R92-E96 IonicContact NH2-OE1 2.69Å; R92-E96 PolarHBondContact NH2-OE1 3.22Å; R92-E96 WeakPolarHBondContact O-CG 3.44Å; R92-E96 PolarHBondContact O-N 2.92Å; R93-E96 PolarHBondContact O-N 3.46Å; E96-K100 WeakPolarHBondContact O-CD 3.17Å; E96-K100 WeakPolarHBondContact O-CE 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.33Å
97	L	73.2	Confident	67.1	Low	8 Å²	8	82.1 Å²	82.1	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-89.9	-41.5	172.7	-64.9	167.5	0	0	0	112.3	R93 D94 R95 K100 H101 L112 L113 M153	R93-L97 HydrophobicContact CG-CD1 4.46Å; R93-L97 WeakPolarHBondContact O-CD1 3.34Å; R93-L97 WeakPolarHBondContact O-CG 3.41Å; R93-L97 PolarHBondContact O-N 3.39Å; D94-L97 WeakPolarHBondContact O-CB 3.47Å; D94-L97 PolarHBondContact O-N 2.69Å; R95-L97 PolarHBondContact O-N 3.47Å; R95-L97 VanDerWaalsContact O-N 3.16Å; L97-K100 PolarHBondContact O-N 3.11Å; L97-H101 PolarHBondContact O-N 2.86Å; L97-L112 WeakPolarHBondContact CD2-O 3.46Å; L97-L113 HydrophobicContact CD1-CD1 3.85Å; L97-L113 HydrophobicContact CD1-CG 4.16Å; L97-L113 HydrophobicContact CD2-CD1 4.39Å; L97-M153 HydrophobicContact CD1-CG 4.01Å
98	A	68.7	Low	66.2	Low	45 Å²	45	81.5 Å²	81.5	37%	0.372	43%	0.429	S	S	.	.	H	α-helix	trans	-61.7	-44.8	177.8	0	0	0	0	0	112.2	D94 R95 K100 H101 L102	D94-A98 WeakPolarHBondContact O-CB 3.49Å; D94-A98 PolarHBondContact O-N 2.85Å; R95-A98 PolarHBondContact O-N 2.89Å; A98-K100 PolarHBondContact O-N 2.69Å; A98-H101 PolarHBondContact O-N 3.31Å; A98-L102 PolarHBondContact O-N 3.08Å
99	A	65.5	Low	66.5	Low	72 Å²	72	84.7 Å²	84.7	60%	0.595	45%	0.447	S	S	*	.	H	α-helix	trans	-59.7	-30.9	177.6	0	0	0	0	0	113.2	R95	R95-A99 PolarHBondContact O-N 2.9Å
100	K	63.4	Low	66.8	Low	144 Å²	144	83.5 Å²	83.5	63%	0.626	44%	0.438	S	S	*	.	H	α-helix	trans	-82.1	-21.3	177	-66.3	177.7	-175.6	-179.2	0	113.8	E96 L97 A98 T103	E96-K100 WeakPolarHBondContact O-CD 3.17Å; E96-K100 WeakPolarHBondContact O-CE 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.33Å; L97-K100 PolarHBondContact O-N 3.11Å; A98-K100 PolarHBondContact O-N 2.69Å; K100-T103 PolarHBondContact O-OG1 3.07Å
101	H	60.5	Low	67.2	Low	74 Å²	74	82.9 Å²	82.9	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-83.7	-28.2	179.1	-165	-44.5	0	0	0	111.7	L97 A98 T103 S104 L112	L97-H101 PolarHBondContact O-N 2.86Å; A98-H101 PolarHBondContact O-N 3.31Å; H101-T103 PolarHBondContact O-N 3.39Å; H101-S104 PolarHBondContact O-N 3.47Å; H101-S104 PolarHBondContact O-OG 3.03Å; H101-L112 HydrophobicContact CB-CD2 4.39Å
102	L	48.9	Very low	67.6	Low	148 Å²	148	82.6 Å²	82.6	78%	0.775	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.1	-177.7	-153.3	72	0	0	0	113	A98	A98-L102 PolarHBondContact O-N 3.08Å
103	T	45.9	Very low	68.3	Low	128 Å²	128	76.6 Å²	76.6	79%	0.785	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.7	173.4	29	0	0	0	0	114.7	K100 H101	K100-T103 PolarHBondContact O-OG1 3.07Å; H101-T103 PolarHBondContact O-N 3.39Å
104	S	43.3	Very low	68.7	Low	34 Å²	34	74.2 Å²	74.2	24%	0.238	41%	0.41	C	S	.	.			trans	-131.6	99.1	175.7	63.4	0	0	0	0	111.8	H101 T106	H101-S104 PolarHBondContact O-N 3.47Å; H101-S104 PolarHBondContact O-OG 3.03Å; S104-T106 PolarHBondContact O-N 3.48Å
105	L	44.6	Very low	69.1	Low	168 Å²	168	74.6 Å²	74.6	88%	0.88	43%	0.425	S	S	*	.			trans	-79.8	4.4	171.3	-89.1	72.7	0	0	0	113.4
106	T	52.3	Low	69.9	Low	109 Å²	109	76.7 Å²	76.7	67%	0.669	43%	0.433	S	S	*	.	S	Bend	trans	-109.1	166.7	-178.7	47.9	0	0	0	0	111.6	S104 S108	S104-T106 PolarHBondContact O-N 3.48Å; T106-S108 PolarHBondContact O-N 2.87Å
107	E	63.2	Low	70.5	Confident	147 Å²	147	76.7 Å²	76.7	69%	0.687	44%	0.439	S	S	*	.			trans	-50.3	133.5	170	-81.6	-164.2	-134.5	0	0	110.9	T109 K125	E107-T109 PolarHBondContact O-N 3.32Å; E107-K125 IonicContact OE2-NZ 2.67Å; E107-K125 PolarHBondContact OE2-NZ 2.93Å
108	S	66.8	Low	71.3	Confident	15 Å²	15	78.3 Å²	78.3	11%	0.105	45%	0.446	C	S	.	.			trans	-73.9	123.8	-174.4	74.6	0	0	0	0	110.1	T106 S110 F118 E134	T106-S108 PolarHBondContact O-N 2.87Å; S108-S110 PolarHBondContact O-N 3.31Å; S108-S110 PolarHBondContact OG-O 2.89Å; S108-F118 VanDerWaalsContact O-CD2 3.23Å; S108-F118 WeakPolarHBondContact O-CD2 3.47Å; S108-F118 VanDerWaalsContact O-CE2 3.24Å; S108-F118 WeakPolarHBondContact O-CE2 3.38Å; S108-E134 WeakPolarHBondContact CB-OE2 3.35Å; S108-E134 PolarHBondContact N-OE2 3.02Å; S108-E134 VanDerWaalsContact N-OE2 3.16Å; S108-E134 WeakPolarHBondContact OG-CB 3.27Å; S108-E134 PolarHBondContact OG-OE2 2.95Å
109	T	82.8	Confident	72.3	Confident	117 Å²	117	79.9 Å²	79.9	72%	0.718	45%	0.448	S	S	*	.	S	Bend	trans	-77.9	-2.7	176.6	55.5	0	0	0	0	112.5	E107 P117 F118	E107-T109 PolarHBondContact O-N 3.32Å; T109-P117 CarbonylContact O-C 3.57Å; T109-P117 WeakPolarHBondContact O-CA 3.34Å; T109-F118 PolarHBondContact O-N 2.95Å
110	S	86.2	Confident	72.8	Confident	35 Å²	35	84.1 Å²	84.1	25%	0.245	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-146.3	154.6	-176.5	67.6	0	0	0	0	112.2	S108 L112 R116 F118	S108-S110 PolarHBondContact O-N 3.31Å; S108-S110 PolarHBondContact OG-O 2.89Å; S110-L112 PolarHBondContact O-N 2.85Å; S110-L112 VanDerWaalsContact O-N 3.14Å; S110-R116 CarbonylContact C-O 3.58Å; S110-R116 WeakPolarHBondContact CA-O 3.24Å; S110-R116 WeakPolarHBondContact CB-O 3.43Å; S110-F118 VanDerWaalsContact C-CE2 3.48Å; S110-F118 WeakPolarHBondContact O-CE2 3.29Å
111	C	90.1	Very high	73.7	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	47%	0.469	C	S	.	.			trans	-63.5	115.4	177.2	170	0	0	0	0	111	L113 C114 G115 R116 F118 I135 C136 C139	C111-L113 PolarHBondContact O-N 3.36Å; C111-C114 PolarHBondContact O-N 3Å; C111-C114 VanDerWaalsContact SG-SG 3.63Å; C111-G115 PolarHBondContact O-N 3.14Å; C111-R116 PolarHBondContact N-O 3.02Å; C111-F118 HydrophobicContact CB-CE1 3.91Å; C111-F118 HydrophobicContact CB-CZ 4.16Å; C111-I135 VanDerWaalsContact SG-CA 3.57Å; C111-C136 HydrophobicContact CB-CB 3.89Å; C111-C136 PolarHBondContact SG-N 3.19Å; C111-C139 VanDerWaalsContact SG-SG 3.69Å
112	L	85.8	Confident	74.7	Confident	25 Å²	25	88 Å²	88	13%	0.131	49%	0.487	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-38	-178.2	-70.8	164.9	0	0	0	112.9	L97 H101 S110 C114 R133 E134	L97-L112 WeakPolarHBondContact CD2-O 3.46Å; H101-L112 HydrophobicContact CB-CD2 4.39Å; S110-L112 PolarHBondContact O-N 2.85Å; S110-L112 VanDerWaalsContact O-N 3.14Å; L112-C114 PolarHBondContact O-N 2.92Å; L112-R133 HydrophobicContact CD1-CB 3.85Å; L112-R133 HydrophobicContact CD1-CG 4.17Å; L112-E134 PolarHBondContact N-O 3.4Å
113	L	87.5	Confident	76.5	Confident	10 Å²	10	81.8 Å²	81.8	5%	0.052	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-19.4	-177.6	-95.2	63.8	0	0	0	115.5	R93 L97 C111 I135 C139 C151 M153	R93-L113 PolarHBondContact NH2-O 3.31Å; L97-L113 HydrophobicContact CD1-CD1 3.85Å; L97-L113 HydrophobicContact CD1-CG 4.16Å; L97-L113 HydrophobicContact CD2-CD1 4.39Å; C111-L113 PolarHBondContact O-N 3.36Å; L113-I135 HydrophobicContact CD1-CG2 4.03Å; L113-I135 HydrophobicContact CD2-CG2 4.4Å; L113-C139 HydrophobicContact CB-CB 3.86Å; L113-C139 HydrophobicContact CD2-CB 3.98Å; L113-C151 HydrophobicContact CD2-CB 3.9Å; L113-M153 HydrophobicContact CD2-CG 4.05Å; L113-M153 HydrophobicContact CG-CG 4.26Å
114	C	89.3	Confident	78.4	Confident	55 Å²	55	77.9 Å²	77.9	37%	0.372	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.1	0.1	-175	72.5	0	0	0	0	116.3	C111 L112 R116 C139	C111-C114 PolarHBondContact O-N 3Å; C111-C114 VanDerWaalsContact SG-SG 3.63Å; L112-C114 PolarHBondContact O-N 2.92Å; C114-R116 PolarHBondContact O-N 2.78Å; C114-R116 VanDerWaalsContact O-N 3.13Å; C114-C139 VanDerWaalsContact SG-SG 3.67Å
115	G	86.2	Confident	80.6	Confident	52 Å²	52	79.9 Å²	79.9	54%	0.536	44%	0.436	S	S	.	.			trans	69.5	-0.4	178.4	0	0	0	0	0	115.9	C111	C111-G115 PolarHBondContact O-N 3.14Å
116	R	88.4	Confident	82.7	Confident	146 Å²	146	74.9 Å²	74.9	55%	0.551	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-72.3	127.7	-179.8	-65.5	-177.1	-179.1	-169.5	-1.5	110.5	S110 C111 C114 N123	S110-R116 CarbonylContact C-O 3.58Å; S110-R116 WeakPolarHBondContact CA-O 3.24Å; S110-R116 WeakPolarHBondContact CB-O 3.43Å; C111-R116 PolarHBondContact N-O 3.02Å; C114-R116 PolarHBondContact O-N 2.78Å; C114-R116 VanDerWaalsContact O-N 3.13Å; R116-N123 PolarHBondContact O-ND2 2.75Å
117	P	88.6	Confident	84.5	Confident	78 Å²	78	74.3 Å²	74.3	51%	0.506	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-61.7	146.1	-178.5	26.5	-35.2	0	0	0	111.6	T109 N123	T109-P117 CarbonylContact O-C 3.57Å; T109-P117 WeakPolarHBondContact O-CA 3.34Å; P117-N123 PolarHBondContact O-ND2 3.01Å
118	F	90.3	Very high	85.7	Confident	42 Å²	42	67.3 Å²	67.3	18%	0.184	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-73.5	131.8	175.1	-65.8	-55.1	0	0	0	110.5	S108 T109 S110 C111 N123 K125 E134 C136	S108-F118 VanDerWaalsContact O-CD2 3.23Å; S108-F118 WeakPolarHBondContact O-CD2 3.47Å; S108-F118 VanDerWaalsContact O-CE2 3.24Å; S108-F118 WeakPolarHBondContact O-CE2 3.38Å; T109-F118 PolarHBondContact O-N 2.95Å; S110-F118 VanDerWaalsContact C-CE2 3.48Å; S110-F118 WeakPolarHBondContact O-CE2 3.29Å; C111-F118 HydrophobicContact CB-CE1 3.91Å; C111-F118 HydrophobicContact CB-CZ 4.16Å; F118-N123 WeakPolarHBondContact CA-O 3.27Å; F118-K125 HydrophobicContact CB-CB 4.47Å; F118-K125 HydrophobicContact CD1-CB 3.81Å; F118-K125 HydrophobicContact CD2-CB 4.14Å; F118-K125 HydrophobicContact CD2-CD 4.06Å; F118-K125 HydrophobicContact CD2-CG 4.28Å; F118-K125 HydrophobicContact CE1-CB 3.99Å; F118-K125 HydrophobicContact CE1-CG 4.36Å; F118-K125 HydrophobicContact CE2-CB 4.29Å; F118-K125 HydrophobicContact CE2-CD 4.03Å; F118-K125 HydrophobicContact CE2-CG 4.06Å; F118-K125 HydrophobicContact CG-CB 3.89Å; F118-K125 HydrophobicContact CZ-CB 4.22Å; F118-K125 HydrophobicContact CZ-CG 4.1Å; F118-E134 HydrophobicContact CE2-CB 4.11Å; F118-E134 HydrophobicContact CZ-CB 3.96Å; F118-C136 HydrophobicContact CE1-CB 4.37Å
119	I	87.9	Confident	86.7	Confident	79 Å²	79	72 Å²	72	41%	0.405	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-136.5	123.6	-179.6	-56.6	175.3	0	0	0	107	L121 I122 N123	I119-L121 PolarHBondContact O-N 3.48Å; I119-I122 HydrophobicContact CB-CB 4.14Å; I119-I122 HydrophobicContact CG2-CB 3.95Å; I119-I122 HydrophobicContact CG2-CD1 4.16Å; I119-I122 HydrophobicContact CG2-CG1 4.07Å; I119-I122 PolarHBondContact O-N 2.74Å; I119-N123 HydrophobicContact CB-CB 4.43Å; I119-N123 PolarHBondContact N-O 3.47Å; I119-N123 CarbonylContact O-C 3.2Å; I119-N123 PolarHBondContact O-N 2.95Å
120	L	77.2	Confident	86.8	Confident	160 Å²	160	71.2 Å²	71.2	84%	0.838	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.6	-41.6	-163.7	-164.6	74.6	0	0	0	114.7
121	L	81.9	Confident	86.7	Confident	160 Å²	160	71.9 Å²	71.9	84%	0.838	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-26.5	-178.4	-59	-179.5	0	0	0	114.4	I119	I119-L121 PolarHBondContact O-N 3.48Å
122	I	82.5	Confident	86.5	Confident	141 Å²	141	77.7 Å²	77.7	72%	0.723	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-39.2	-172	-56.6	178.9	0	0	0	111.7	I119	I119-I122 HydrophobicContact CB-CB 4.14Å; I119-I122 HydrophobicContact CG2-CB 3.95Å; I119-I122 HydrophobicContact CG2-CD1 4.16Å; I119-I122 HydrophobicContact CG2-CG1 4.07Å; I119-I122 PolarHBondContact O-N 2.74Å
123	N	86	Confident	86.4	Confident	16 Å²	16	78.5 Å²	78.5	9%	0.086	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-143	68.6	-175.4	-167.6	53.6	0	0	0	109.4	R116 P117 F118 I119 C136	R116-N123 PolarHBondContact O-ND2 2.75Å; P117-N123 PolarHBondContact O-ND2 3.01Å; F118-N123 WeakPolarHBondContact CA-O 3.27Å; I119-N123 HydrophobicContact CB-CB 4.43Å; I119-N123 PolarHBondContact N-O 3.47Å; I119-N123 CarbonylContact O-C 3.2Å; I119-N123 PolarHBondContact O-N 2.95Å; N123-C136 WeakPolarHBondContact OD1-CB 3.35Å
124	P	85.8	Confident	86.4	Confident	47 Å²	47	79.6 Å²	79.6	31%	0.305	41%	0.408	S	S	.	.			trans	-67.9	143.8	-172.4	26.3	-35	0	0	0	112.7
125	K	89	Confident	86.5	Confident	75 Å²	75	77 Å²	77	33%	0.326	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.8	173.8	176.9	167.1	165	158.3	0	110.2	E107 F118 E134	E107-K125 IonicContact OE2-NZ 2.67Å; E107-K125 PolarHBondContact OE2-NZ 2.93Å; F118-K125 HydrophobicContact CB-CB 4.47Å; F118-K125 HydrophobicContact CD1-CB 3.81Å; F118-K125 HydrophobicContact CD2-CB 4.14Å; F118-K125 HydrophobicContact CD2-CD 4.06Å; F118-K125 HydrophobicContact CD2-CG 4.28Å; F118-K125 HydrophobicContact CE1-CB 3.99Å; F118-K125 HydrophobicContact CE1-CG 4.36Å; F118-K125 HydrophobicContact CE2-CB 4.29Å; F118-K125 HydrophobicContact CE2-CD 4.03Å; F118-K125 HydrophobicContact CE2-CG 4.06Å; F118-K125 HydrophobicContact CG-CB 3.89Å; F118-K125 HydrophobicContact CZ-CB 4.22Å; F118-K125 HydrophobicContact CZ-CG 4.1Å; K125-E134 WeakPolarHBondContact CE-OE1 3.26Å; K125-E134 WeakPolarHBondContact CE-OE2 3.27Å; K125-E134 IonicContact NZ-OE1 2.63Å; K125-E134 PolarHBondContact NZ-OE1 3.29Å; K125-E134 IonicContact NZ-OE2 2.67Å; K125-E134 PolarHBondContact NZ-OE2 3.19Å
126	R	89.6	Confident	86.8	Confident	63 Å²	63	74.5 Å²	74.5	24%	0.238	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	154.1	171.5	-67.8	177.9	170.3	-168.7	-12	108.1	E134 I135 S140 F149	R126-E134 WeakPolarHBondContact O-CA 3.44Å; R126-I135 WeakPolarHBondContact CA-O 3.42Å; R126-I135 HydrophobicContact CB-CG1 4.01Å; R126-I135 WeakPolarHBondContact CB-O 3.33Å; R126-I135 PolarHBondContact N-O 2.79Å; R126-I135 PolarHBondContact O-N 2.89Å; R126-S140 WeakPolarHBondContact CD-OG 3.4Å; R126-S140 PolarHBondContact NH1-OG 3.33Å; R126-F149 HydrophobicContact CG-CD2 4.31Å
127	I	88.8	Confident	86.9	Confident	98 Å²	98	75.5 Å²	75.5	50%	0.503	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133	175.5	-63.5	175.1	0	0	0	107.8	Y129	I127-Y129 PolarHBondContact O-N 3.13Å
128	C	89.9	Confident	87	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	37%	0.37	C	S	.	.			trans	-70.8	125.9	172.1	-178.9	0	0	0	0	110.3	N130 K132 R133 I135 F149 C151	C128-N130 PolarHBondContact O-N 3.32Å; C128-K132 WeakPolarHBondContact O-CA 3.33Å; C128-K132 PolarHBondContact O-N 3.46Å; C128-R133 PolarHBondContact N-O 2.79Å; C128-I135 HydrophobicContact CB-CD1 4.15Å; C128-F149 CarbonylContact C-O 3.57Å; C128-F149 WeakPolarHBondContact CA-O 3.46Å; C128-C151 HydrophobicContact CB-CB 3.99Å; C128-C151 PolarHBondContact SG-N 3.41Å; C128-C151 VanDerWaalsContact SG-SG 3.64Å
129	Y	87.7	Confident	87.2	Confident	113 Å²	113	75.2 Å²	75.2	44%	0.443	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-49.7	177.7	177.7	-103.6	0	0	0	113	I127 K132 E148 F149 F150	I127-Y129 PolarHBondContact O-N 3.13Å; Y129-K132 WeakPolarHBondContact O-CD 3.49Å; Y129-K132 VanDerWaalsContact O-CE 3.27Å; Y129-K132 WeakPolarHBondContact O-CE 3.41Å; Y129-K132 PolarHBondContact O-NZ 3.28Å; Y129-E148 WeakPolarHBondContact CD1-OE2 3.32Å; Y129-E148 HydrophobicContact CD2-CG 4.06Å; Y129-E148 WeakPolarHBondContact CD2-OE1 3.31Å; Y129-E148 WeakPolarHBondContact CD2-OE2 3.47Å; Y129-E148 WeakPolarHBondContact CE2-OE1 3.32Å; Y129-E148 WeakPolarHBondContact CE2-OE2 3.09Å; Y129-E148 HydrophobicContact CG-CB 4.48Å; Y129-E148 HydrophobicContact CG-CG 4.37Å; Y129-F149 PolarHBondContact N-O 2.67Å; Y129-F150 HydrophobicContact CD1-CE1 4.08Å; Y129-F150 HydrophobicContact CD1-CE2 4.46Å; Y129-F150 AromaticContact CD1-CZ 3.69Å; Y129-F150 HydrophobicContact CD1-CZ 3.69Å; Y129-F150 HydrophobicContact CG-CZ 4.31Å
130	N	84.4	Confident	87.3	Confident	101 Å²	101	71.8 Å²	71.8	54%	0.54	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-68.2	-177.7	-172.8	55.7	0	0	0	112.8	C128 K132 F150 C154	C128-N130 PolarHBondContact O-N 3.32Å; N130-K132 PolarHBondContact O-N 3.38Å; N130-F150 HydrophobicContact CB-CD1 4.26Å; N130-F150 HydrophobicContact CB-CE1 4.16Å; N130-C154 HydrophobicContact CB-CB 4.16Å; N130-C154 PolarHBondContact ND2-SG 3.22Å
131	C	83.5	Confident	87.9	Confident	48 Å²	48	68.6 Å²	68.6	32%	0.324	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	5.8	-171.9	68.3	0	0	0	0	115.9	R133	C131-R133 HydrophobicContact CB-CG 4.41Å; C131-R133 PolarHBondContact O-N 2.91Å
132	K	85.7	Confident	88	Confident	123 Å²	123	64.4 Å²	64.4	54%	0.535	31%	0.314	S	S	.	.			trans	54.5	-2.2	-178.1	-46.5	-55.2	-179.2	-168.8	0	116.9	C128 Y129 N130	C128-K132 WeakPolarHBondContact O-CA 3.33Å; C128-K132 PolarHBondContact O-N 3.46Å; Y129-K132 WeakPolarHBondContact O-CD 3.49Å; Y129-K132 VanDerWaalsContact O-CE 3.27Å; Y129-K132 WeakPolarHBondContact O-CE 3.41Å; Y129-K132 PolarHBondContact O-NZ 3.28Å; N130-K132 PolarHBondContact O-N 3.38Å
133	R	84.6	Confident	87.6	Confident	41 Å²	41	59.2 Å²	59.2	16%	0.155	29%	0.287	C	S	.	.			trans	-56.9	140.4	175.7	-65.5	-171.5	-168.3	-74.8	9.8	111.5	D94 L112 C128 C131	D94-R133 IonicContact OD1-CZ 2.67Å; D94-R133 IonicContact OD1-NE 2.93Å; D94-R133 PolarHBondContact OD1-NE 3.08Å; D94-R133 IonicContact OD1-NH2 2.65Å; D94-R133 PolarHBondContact OD1-NH2 2.94Å; D94-R133 IonicContact OD2-NH2 3.19Å; D94-R133 PolarHBondContact OD2-NH2 2.98Å; L112-R133 HydrophobicContact CD1-CB 3.85Å; L112-R133 HydrophobicContact CD1-CG 4.17Å; C128-R133 PolarHBondContact N-O 2.79Å; C131-R133 HydrophobicContact CB-CG 4.41Å; C131-R133 PolarHBondContact O-N 2.91Å
134	E	87.9	Confident	86.8	Confident	34 Å²	34	65.8 Å²	65.8	16%	0.159	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.8	176.3	-51	-171.7	154.5	0	0	111.2	S108 L112 F118 K125 R126	S108-E134 WeakPolarHBondContact CB-OE2 3.35Å; S108-E134 PolarHBondContact N-OE2 3.02Å; S108-E134 VanDerWaalsContact N-OE2 3.16Å; S108-E134 WeakPolarHBondContact OG-CB 3.27Å; S108-E134 PolarHBondContact OG-OE2 2.95Å; L112-E134 PolarHBondContact N-O 3.4Å; F118-E134 HydrophobicContact CE2-CB 4.11Å; F118-E134 HydrophobicContact CZ-CB 3.96Å; K125-E134 WeakPolarHBondContact CE-OE1 3.26Å; K125-E134 WeakPolarHBondContact CE-OE2 3.27Å; K125-E134 IonicContact NZ-OE1 2.63Å; K125-E134 PolarHBondContact NZ-OE1 3.29Å; K125-E134 IonicContact NZ-OE2 2.67Å; K125-E134 PolarHBondContact NZ-OE2 3.19Å; R126-E134 WeakPolarHBondContact O-CA 3.44Å
135	I	91.1	Very high	85.7	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.5	-170.1	63.1	-176	0	0	0	111.8	C111 L113 R126 C128 C139 S140 C151	C111-I135 VanDerWaalsContact SG-CA 3.57Å; L113-I135 HydrophobicContact CD1-CG2 4.03Å; L113-I135 HydrophobicContact CD2-CG2 4.4Å; R126-I135 WeakPolarHBondContact CA-O 3.42Å; R126-I135 HydrophobicContact CB-CG1 4.01Å; R126-I135 WeakPolarHBondContact CB-O 3.33Å; R126-I135 PolarHBondContact N-O 2.79Å; R126-I135 PolarHBondContact O-N 2.89Å; C128-I135 HydrophobicContact CB-CD1 4.15Å; I135-C139 HydrophobicContact CB-CB 4.23Å; I135-S140 VanDerWaalsContact CD1-CB 3.48Å; I135-C151 HydrophobicContact CD1-CB 3.63Å; I135-C151 HydrophobicContact CG2-CB 3.99Å
136	C	93	Very high	84.4	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	168.1	169.8	69.5	0	0	0	0	112	C111 F118 N123 N138 C139 S140	C111-C136 HydrophobicContact CB-CB 3.89Å; C111-C136 PolarHBondContact SG-N 3.19Å; F118-C136 HydrophobicContact CE1-CB 4.37Å; N123-C136 WeakPolarHBondContact OD1-CB 3.35Å; C136-N138 VanDerWaalsContact C-N 3.26Å; C136-N138 PolarHBondContact O-N 2.8Å; C136-N138 VanDerWaalsContact O-N 3.17Å; C136-C139 PolarHBondContact O-N 2.67Å; C136-S140 PolarHBondContact O-N 3.34Å; C136-S140 PolarHBondContact O-OG 3.13Å
137	R	90.3	Very high	83.3	Confident	167 Å²	167	77.4 Å²	77.4	63%	0.63	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-43.4	-49.4	175.1	-175.9	175.9	-179.4	175.3	0.1	112.7	C139 S140	R137-C139 PolarHBondContact O-N 2.75Å; R137-S140 WeakPolarHBondContact CA-OG 3.37Å; R137-S140 PolarHBondContact O-N 2.9Å; R137-S140 VanDerWaalsContact O-N 3.12Å; R137-S140 PolarHBondContact O-OG 2.86Å
138	N	90.8	Very high	83	Confident	99 Å²	99	75.4 Å²	75.4	53%	0.529	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-72.3	-13.8	-175	-61.1	21.7	0	0	0	114.2	C136	C136-N138 VanDerWaalsContact C-N 3.26Å; C136-N138 PolarHBondContact O-N 2.8Å; C136-N138 VanDerWaalsContact O-N 3.17Å
139	C	92.9	Very high	82.9	Confident	14 Å²	14	78.6 Å²	78.6	10%	0.095	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-102.6	3.6	174.9	-66.6	0	0	0	0	112.8	C111 L113 C114 I135 C136 R137 C151 R152	C111-C139 VanDerWaalsContact SG-SG 3.69Å; L113-C139 HydrophobicContact CB-CB 3.86Å; L113-C139 HydrophobicContact CD2-CB 3.98Å; C114-C139 VanDerWaalsContact SG-SG 3.67Å; I135-C139 HydrophobicContact CB-CB 4.23Å; C136-C139 PolarHBondContact O-N 2.67Å; R137-C139 PolarHBondContact O-N 2.75Å; C139-C151 WeakPolarHBondContact O-CA 3.44Å; C139-R152 PolarHBondContact O-N 3.15Å
140	S	91.1	Very high	83	Confident	8 Å²	8	74.4 Å²	74.4	6%	0.056	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	155.7	-177.7	71.4	0	0	0	0	111.8	R126 I135 C136 R137 F150	R126-S140 WeakPolarHBondContact CD-OG 3.4Å; R126-S140 PolarHBondContact NH1-OG 3.33Å; I135-S140 VanDerWaalsContact CD1-CB 3.48Å; C136-S140 PolarHBondContact O-N 3.34Å; C136-S140 PolarHBondContact O-OG 3.13Å; R137-S140 WeakPolarHBondContact CA-OG 3.37Å; R137-S140 PolarHBondContact O-N 2.9Å; R137-S140 VanDerWaalsContact O-N 3.12Å; R137-S140 PolarHBondContact O-OG 2.86Å; S140-F150 CarbonylContact C-O 3.52Å; S140-F150 VanDerWaalsContact CA-O 3.3Å; S140-F150 WeakPolarHBondContact CA-O 3.25Å
141	E	89.1	Confident	83.3	Confident	93 Å²	93	69.6 Å²	69.6	44%	0.435	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.5	169.5	-129.5	153.9	101.3	0	0	108.9	F149 F150 R152 L155	E141-F149 WeakPolarHBondContact O-CA 3.41Å; E141-F150 PolarHBondContact N-O 3.24Å; E141-F150 PolarHBondContact O-N 2.89Å; E141-R152 IonicContact OE2-CZ 3.05Å; E141-R152 IonicContact OE2-NE 3.6Å; E141-R152 PolarHBondContact OE2-NE 3.08Å; E141-R152 IonicContact OE2-NH2 3.32Å; E141-L155 HydrophobicContact CB-CD1 3.4Å; E141-L155 VanDerWaalsContact CB-CD1 3.4Å; E141-L155 HydrophobicContact CG-CD1 4.3Å
142	S	83.7	Confident	83.7	Confident	72 Å²	72	73.9 Å²	73.9	50%	0.503	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.9	176.6	44.8	0	0	0	0	109.8	E148	S142-E148 WeakPolarHBondContact CA-O 3.4Å
143	I	75.6	Confident	83.9	Confident	32 Å²	32	68.7 Å²	68.7	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.9	172.3	-53.1	-178.4	0	0	0	108.4	Q145 Y146 N147 E148 F150 L155	I143-Q145 HydrophobicContact CG2-CB 4.18Å; I143-Q145 PolarHBondContact O-N 2.87Å; I143-Y146 HydrophobicContact CB-CD2 4.09Å; I143-Y146 HydrophobicContact CG2-CD2 3.8Å; I143-Y146 HydrophobicContact CG2-CE2 4.17Å; I143-Y146 PolarHBondContact O-N 3.11Å; I143-N147 PolarHBondContact O-N 3.28Å; I143-E148 PolarHBondContact N-O 2.88Å; I143-F150 HydrophobicContact CB-CD2 4.4Å; I143-F150 HydrophobicContact CB-CE2 4.49Å; I143-F150 HydrophobicContact CD1-CB 4.48Å; I143-F150 HydrophobicContact CD1-CD1 4.41Å; I143-F150 HydrophobicContact CD1-CD2 3.51Å; I143-F150 HydrophobicContact CD1-CE2 3.77Å; I143-F150 HydrophobicContact CD1-CG 3.87Å; I143-F150 HydrophobicContact CD1-CZ 4.33Å; I143-F150 HydrophobicContact CG1-CD2 3.77Å; I143-F150 HydrophobicContact CG1-CE2 4.23Å; I143-F150 HydrophobicContact CG1-CG 4.41Å; I143-L155 HydrophobicContact CD1-CD2 3.88Å; I143-L155 HydrophobicContact CG1-CD2 4.38Å
144	N	67.6	Low	84	Confident	154 Å²	154	67.5 Å²	67.5	82%	0.824	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.5	-175	-62.7	-0.6	0	0	0	113.6	Y146	N144-Y146 PolarHBondContact O-N 3.46Å
145	Q	63.7	Low	84.1	Confident	153 Å²	153	67 Å²	67	72%	0.715	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	179.1	-67.7	172	-24.4	0	0	114.5	I143	I143-Q145 HydrophobicContact CG2-CB 4.18Å; I143-Q145 PolarHBondContact O-N 2.87Å
146	Y	60.5	Low	84	Confident	118 Å²	118	71.3 Å²	71.3	46%	0.463	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-10.7	-173.2	-57.7	-78	0	0	0	113.8	I143 N144 E148 F150	I143-Y146 HydrophobicContact CB-CD2 4.09Å; I143-Y146 HydrophobicContact CG2-CD2 3.8Å; I143-Y146 HydrophobicContact CG2-CE2 4.17Å; I143-Y146 PolarHBondContact O-N 3.11Å; N144-Y146 PolarHBondContact O-N 3.46Å; Y146-E148 WeakPolarHBondContact O-CG 3.43Å; Y146-E148 PolarHBondContact O-N 2.85Å; Y146-E148 VanDerWaalsContact O-N 3.15Å; Y146-F150 HydrophobicContact CD2-CE2 4.37Å
147	N	68.3	Low	83.7	Confident	158 Å²	158	72.8 Å²	72.8	85%	0.845	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	20.3	-171.7	-131.4	3.4	0	0	0	113.9	I143	I143-N147 PolarHBondContact O-N 3.28Å
148	E	81.4	Confident	83.4	Confident	55 Å²	55	69.6 Å²	69.6	26%	0.257	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	155.8	-167.1	-81.7	167.2	171.5	0	0	113	Y129 S142 I143 Y146 F150	Y129-E148 WeakPolarHBondContact CD1-OE2 3.32Å; Y129-E148 HydrophobicContact CD2-CG 4.06Å; Y129-E148 WeakPolarHBondContact CD2-OE1 3.31Å; Y129-E148 WeakPolarHBondContact CD2-OE2 3.47Å; Y129-E148 WeakPolarHBondContact CE2-OE1 3.32Å; Y129-E148 WeakPolarHBondContact CE2-OE2 3.09Å; Y129-E148 HydrophobicContact CG-CB 4.48Å; Y129-E148 HydrophobicContact CG-CG 4.37Å; S142-E148 WeakPolarHBondContact CA-O 3.4Å; I143-E148 PolarHBondContact N-O 2.88Å; Y146-E148 WeakPolarHBondContact O-CG 3.43Å; Y146-E148 PolarHBondContact O-N 2.85Å; Y146-E148 VanDerWaalsContact O-N 3.15Å; E148-F150 HydrophobicContact CB-CE2 4.1Å
149	F	87.8	Confident	83.1	Confident	68 Å²	68	69.2 Å²	69.2	30%	0.298	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.2	178	-61.1	-63	0	0	0	112	R126 C128 Y129 E141	R126-F149 HydrophobicContact CG-CD2 4.31Å; C128-F149 CarbonylContact C-O 3.57Å; C128-F149 WeakPolarHBondContact CA-O 3.46Å; Y129-F149 PolarHBondContact N-O 2.67Å; E141-F149 WeakPolarHBondContact O-CA 3.41Å
150	F	90.6	Very high	82.9	Confident	25 Å²	25	68.8 Å²	68.8	11%	0.11	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.1	171.1	-72.2	-103.2	0	0	0	109.4	Y129 N130 S140 E141 I143 Y146 E148 C154 L155	Y129-F150 HydrophobicContact CD1-CE1 4.08Å; Y129-F150 HydrophobicContact CD1-CE2 4.46Å; Y129-F150 AromaticContact CD1-CZ 3.69Å; Y129-F150 HydrophobicContact CD1-CZ 3.69Å; Y129-F150 HydrophobicContact CG-CZ 4.31Å; N130-F150 HydrophobicContact CB-CD1 4.26Å; N130-F150 HydrophobicContact CB-CE1 4.16Å; S140-F150 CarbonylContact C-O 3.52Å; S140-F150 VanDerWaalsContact CA-O 3.3Å; S140-F150 WeakPolarHBondContact CA-O 3.25Å; E141-F150 PolarHBondContact N-O 3.24Å; E141-F150 PolarHBondContact O-N 2.89Å; I143-F150 HydrophobicContact CB-CD2 4.4Å; I143-F150 HydrophobicContact CB-CE2 4.49Å; I143-F150 HydrophobicContact CD1-CB 4.48Å; I143-F150 HydrophobicContact CD1-CD1 4.41Å; I143-F150 HydrophobicContact CD1-CD2 3.51Å; I143-F150 HydrophobicContact CD1-CE2 3.77Å; I143-F150 HydrophobicContact CD1-CG 3.87Å; I143-F150 HydrophobicContact CD1-CZ 4.33Å; I143-F150 HydrophobicContact CG1-CD2 3.77Å; I143-F150 HydrophobicContact CG1-CE2 4.23Å; I143-F150 HydrophobicContact CG1-CG 4.41Å; Y146-F150 HydrophobicContact CD2-CE2 4.37Å; E148-F150 HydrophobicContact CB-CE2 4.1Å; F150-C154 HydrophobicContact CD1-CB 4.49Å; F150-L155 HydrophobicContact CB-CD1 4.26Å; F150-L155 HydrophobicContact CB-CD2 3.82Å; F150-L155 HydrophobicContact CB-CG 3.89Å; F150-L155 HydrophobicContact CG-CD2 4.4Å
151	C	91.3	Very high	82.4	Confident	0 Å²	0	72 Å²	72	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	150.3	171.1	75.5	0	0	0	0	110.6	L113 C128 I135 C139 M153 C154 L155	L113-C151 HydrophobicContact CD2-CB 3.9Å; C128-C151 HydrophobicContact CB-CB 3.99Å; C128-C151 PolarHBondContact SG-N 3.41Å; C128-C151 VanDerWaalsContact SG-SG 3.64Å; I135-C151 HydrophobicContact CD1-CB 3.63Å; I135-C151 HydrophobicContact CG2-CB 3.99Å; C139-C151 WeakPolarHBondContact O-CA 3.44Å; C151-M153 PolarHBondContact O-N 3.45Å; C151-C154 PolarHBondContact O-N 2.78Å; C151-C154 PolarHBondContact SG-N 2.71Å; C151-C154 PolarHBondContact SG-SG 3.14Å; C151-L155 PolarHBondContact O-N 3.19Å; C151-L155 VanDerWaalsContact O-N 3.12Å
152	R	91.3	Very high	82.1	Confident	138 Å²	138	70.8 Å²	70.8	52%	0.521	35%	0.348	S	S	.	.	H	α-helix	trans	-58.6	-17.8	178.8	-72.6	-177.1	165.6	-170.2	-5.6	114.6	C139 E141 K156	C139-R152 PolarHBondContact O-N 3.15Å; E141-R152 IonicContact OE2-CZ 3.05Å; E141-R152 IonicContact OE2-NE 3.6Å; E141-R152 PolarHBondContact OE2-NE 3.08Å; E141-R152 IonicContact OE2-NH2 3.32Å; R152-K156 WeakPolarHBondContact O-CG 3.46Å; R152-K156 PolarHBondContact O-N 3.16Å
153	M	89.6	Confident	82.2	Confident	14 Å²	14	70 Å²	70	7%	0.069	34%	0.337	C	S	.	.	H	α-helix	trans	-73.5	-45.7	170.1	-69.6	-57.5	-63	0	0	112.5	I90 R93 D94 L97 L113 C151 L155 K156 E157	I90-M153 HydrophobicContact CG2-CE 3.94Å; I90-M153 WeakPolarHBondContact O-CE 3.35Å; R93-M153 HydrophobicContact CB-CE 3.79Å; R93-M153 HydrophobicContact CB-SD 4.18Å; R93-M153 WeakPolarHBondContact CD-SD 3.42Å; R93-M153 HydrophobicContact CG-CE 3.92Å; R93-M153 HydrophobicContact CG-SD 3.69Å; D94-M153 HydrophobicContact CB-CE 4.33Å; L97-M153 HydrophobicContact CD1-CG 4.01Å; L113-M153 HydrophobicContact CD2-CG 4.05Å; L113-M153 HydrophobicContact CG-CG 4.26Å; C151-M153 PolarHBondContact O-N 3.45Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 3.22Å; M153-K156 PolarHBondContact O-N 3.05Å; M153-E157 PolarHBondContact O-N 2.87Å
154	C	87.1	Confident	82.4	Confident	15 Å²	15	68.9 Å²	68.9	10%	0.101	33%	0.332	C	S	.	.	H	α-helix	trans	-67.9	-31.5	178.2	-66.4	0	0	0	0	112.1	N130 F150 C151 E157 K158	N130-C154 HydrophobicContact CB-CB 4.16Å; N130-C154 PolarHBondContact ND2-SG 3.22Å; F150-C154 HydrophobicContact CD1-CB 4.49Å; C151-C154 PolarHBondContact O-N 2.78Å; C151-C154 PolarHBondContact SG-N 2.71Å; C151-C154 PolarHBondContact SG-SG 3.14Å; C154-E157 PolarHBondContact O-N 2.99Å; C154-K158 PolarHBondContact O-N 2.8Å
155	L	89.8	Confident	83.2	Confident	23 Å²	23	63.8 Å²	63.8	12%	0.12	31%	0.308	C	S	.	.	H	α-helix	trans	-66.8	-41.5	173	-65.1	168.2	0	0	0	111.6	E141 I143 F150 C151 M153 E157 K158 N159	E141-L155 HydrophobicContact CB-CD1 3.4Å; E141-L155 VanDerWaalsContact CB-CD1 3.4Å; E141-L155 HydrophobicContact CG-CD1 4.3Å; I143-L155 HydrophobicContact CD1-CD2 3.88Å; I143-L155 HydrophobicContact CG1-CD2 4.38Å; F150-L155 HydrophobicContact CB-CD1 4.26Å; F150-L155 HydrophobicContact CB-CD2 3.82Å; F150-L155 HydrophobicContact CB-CG 3.89Å; F150-L155 HydrophobicContact CG-CD2 4.4Å; C151-L155 PolarHBondContact O-N 3.19Å; C151-L155 VanDerWaalsContact O-N 3.12Å; M153-L155 VanDerWaalsContact C-N 3.3Å; M153-L155 PolarHBondContact O-N 3.22Å; L155-E157 VanDerWaalsContact C-N 3.35Å; L155-E157 PolarHBondContact O-N 3.43Å; L155-K158 PolarHBondContact O-N 2.85Å; L155-N159 WeakPolarHBondContact O-CB 3.46Å; L155-N159 VanDerWaalsContact O-CG 3.24Å; L155-N159 PolarHBondContact O-N 3.15Å; L155-N159 PolarHBondContact O-OD1 2.99Å
156	K	89.4	Confident	83.7	Confident	91 Å²	91	59 Å²	59	40%	0.396	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-38.6	172.5	-75	-170.7	175.7	-156.5	0	112.5	I90 R152 M153 N159 Y160	I90-K156 HydrophobicContact CD1-CB 4.1Å; I90-K156 HydrophobicContact CG1-CB 4.08Å; R152-K156 WeakPolarHBondContact O-CG 3.46Å; R152-K156 PolarHBondContact O-N 3.16Å; M153-K156 PolarHBondContact O-N 3.05Å; K156-N159 PolarHBondContact O-N 3.49Å; K156-Y160 PolarHBondContact O-N 3.2Å
157	E	85	Confident	84.7	Confident	32 Å²	32	62.5 Å²	62.5	15%	0.15	30%	0.3	C	S	.	.	H	α-helix	trans	-65	-42.8	173.9	-170.9	76.5	157.9	0	0	112.3	R87 M153 C154 L155 N159 Y160 R161	R87-E157 IonicContact CZ-OE1 2.69Å; R87-E157 IonicContact CZ-OE2 3.16Å; R87-E157 IonicContact NH1-OE1 2.69Å; R87-E157 PolarHBondContact NH1-OE1 3.43Å; R87-E157 IonicContact NH1-OE2 3.23Å; R87-E157 PolarHBondContact NH1-OE2 3.1Å; R87-E157 IonicContact NH2-OE1 2.79Å; R87-E157 PolarHBondContact NH2-OE1 2.89Å; M153-E157 PolarHBondContact O-N 2.87Å; C154-E157 PolarHBondContact O-N 2.99Å; L155-E157 VanDerWaalsContact C-N 3.35Å; L155-E157 PolarHBondContact O-N 3.43Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 2.9Å; E157-Y160 WeakPolarHBondContact O-CB 3.2Å; E157-Y160 PolarHBondContact O-N 3.18Å; E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 VanDerWaalsContact O-N 3.14Å; E157-R161 IonicContact OE1-NH2 2.87Å
158	K	85	Confident	85.3	Confident	100 Å²	100	59.5 Å²	59.5	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-60.6	-42.5	173.8	-174.5	175.4	179.6	177.3	0	111.4	C154 L155 Y160 R161 A162	C154-K158 PolarHBondContact O-N 2.8Å; L155-K158 PolarHBondContact O-N 2.85Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; K158-R161 PolarHBondContact O-N 3.09Å; K158-A162 PolarHBondContact O-N 2.75Å; K158-A162 VanDerWaalsContact O-N 3.08Å
159	N	85.5	Confident	85.1	Confident	91 Å²	91	61.9 Å²	61.9	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-69	-31.8	177.6	-67.7	6.7	0	0	0	112.2	L155 K156 E157 A162 M163	L155-N159 WeakPolarHBondContact O-CB 3.46Å; L155-N159 VanDerWaalsContact O-CG 3.24Å; L155-N159 PolarHBondContact O-N 3.15Å; L155-N159 PolarHBondContact O-OD1 2.99Å; K156-N159 PolarHBondContact O-N 3.49Å; E157-N159 VanDerWaalsContact C-N 3.32Å; E157-N159 PolarHBondContact O-N 2.9Å; N159-A162 PolarHBondContact O-N 2.87Å; N159-M163 WeakPolarHBondContact O-CB 3.44Å; N159-M163 VanDerWaalsContact O-CG 3.32Å; N159-M163 WeakPolarHBondContact O-CG 3.32Å; N159-M163 PolarHBondContact O-N 3.49Å
160	Y	87.1	Confident	84.2	Confident	4 Å²	4	63.5 Å²	63.5	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-59.2	-54	171.1	177.1	-106.2	0	0	0	111.2	L83 F86 R87 K156 E157 K158 A162 M163 T164 E350	L83-Y160 HydrophobicContact CB-CE2 4.13Å; L83-Y160 HydrophobicContact CD2-CE2 4.26Å; L83-Y160 WeakPolarHBondContact O-CE2 3.07Å; F86-Y160 AromaticContact CD1-CD2 3.89Å; F86-Y160 HydrophobicContact CD1-CD2 3.89Å; F86-Y160 HydrophobicContact CD1-CG 4.44Å; R87-Y160 HydrophobicContact CB-CD2 4.32Å; R87-Y160 HydrophobicContact CB-CE1 4.46Å; R87-Y160 HydrophobicContact CB-CE2 3.68Å; R87-Y160 HydrophobicContact CG-CE1 4.27Å; R87-Y160 HydrophobicContact CG-CE2 4.35Å; K156-Y160 PolarHBondContact O-N 3.2Å; E157-Y160 WeakPolarHBondContact O-CB 3.2Å; E157-Y160 PolarHBondContact O-N 3.18Å; K158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-A162 VanDerWaalsContact C-N 3.26Å; Y160-A162 PolarHBondContact O-N 3.31Å; Y160-M163 WeakPolarHBondContact O-CA 3.41Å; Y160-M163 WeakPolarHBondContact O-CB 3.37Å; Y160-M163 PolarHBondContact O-N 3.14Å; Y160-T164 HydrophobicContact CD1-CG2 4.25Å; Y160-T164 HydrophobicContact CD2-CG2 4.45Å; Y160-T164 HydrophobicContact CE1-CG2 3.74Å; Y160-T164 HydrophobicContact CE2-CG2 3.99Å; Y160-T164 PolarHBondContact O-N 2.88Å; Y160-E350 PolarHBondContact OH-OE2 2.69Å
161	R	81.3	Confident	83.5	Confident	77 Å²	77	66 Å²	66	29%	0.291	31%	0.313	S	S	.	.	H	α-helix	trans	-60.3	-34	179.5	-62.9	169.8	-169	-144.7	-4.9	113	E157 K158 T164 V345 E346	E157-R161 WeakPolarHBondContact O-CG 3.34Å; E157-R161 PolarHBondContact O-N 3.44Å; E157-R161 VanDerWaalsContact O-N 3.14Å; E157-R161 IonicContact OE1-NH2 2.87Å; K158-R161 PolarHBondContact O-N 3.09Å; R161-T164 PolarHBondContact O-OG1 3.13Å; R161-T164 VanDerWaalsContact O-OG1 3.11Å; R161-V345 VanDerWaalsContact NH2-CG1 3.29Å; R161-E346 WeakPolarHBondContact CD-OE1 3.38Å; R161-E346 VanDerWaalsContact CD-OE2 3.28Å; R161-E346 WeakPolarHBondContact CD-OE2 3.24Å; R161-E346 WeakPolarHBondContact CG-OE2 3.18Å; R161-E346 IonicContact CZ-OE1 2.68Å; R161-E346 VanDerWaalsContact CZ-OE1 3.23Å; R161-E346 IonicContact CZ-OE2 3.9Å; R161-E346 IonicContact NE-OE1 3.08Å; R161-E346 IonicContact NE-OE2 2.88Å; R161-E346 PolarHBondContact NE-OE2 2.71Å; R161-E346 IonicContact NH1-OE1 3.98Å; R161-E346 PolarHBondContact NH1-OE1 2.96Å; R161-E346 IonicContact NH1-OE2 3.54Å; R161-E346 PolarHBondContact NH1-OE2 3.48Å; R161-E346 IonicContact NH2-OE2 3.35Å; R161-E346 PolarHBondContact NH2-OE2 3Å
162	A	82.6	Confident	82.6	Confident	67 Å²	67	67.1 Å²	67.1	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-66.5	-41.9	172.1	0	0	0	0	0	111.8	K158 N159 Y160 C165	K158-A162 PolarHBondContact O-N 2.75Å; K158-A162 VanDerWaalsContact O-N 3.08Å; N159-A162 PolarHBondContact O-N 2.87Å; Y160-A162 VanDerWaalsContact C-N 3.26Å; Y160-A162 PolarHBondContact O-N 3.31Å; A162-C165 PolarHBondContact O-N 3.35Å; A162-C165 PolarHBondContact O-SG 3.49Å; A162-C165 VanDerWaalsContact O-SG 3.39Å
163	M	86.3	Confident	81.6	Confident	54 Å²	54	64 Å²	64	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-28.5	180	-74.9	-172.7	-59.7	0	0	114.5	R82 L83 F86 N159 Y160 C165	R82-M163 PolarHBondContact NH1-SD 2.85Å; L83-M163 HydrophobicContact CD2-CB 3.84Å; F86-M163 HydrophobicContact CD1-CE 3.56Å; F86-M163 HydrophobicContact CD2-CE 3.98Å; F86-M163 HydrophobicContact CE1-CE 3.43Å; F86-M163 VanDerWaalsContact CE1-CE 3.43Å; F86-M163 HydrophobicContact CE2-CE 3.88Å; F86-M163 HydrophobicContact CG-CE 3.82Å; F86-M163 HydrophobicContact CZ-CE 3.6Å; N159-M163 WeakPolarHBondContact O-CB 3.44Å; N159-M163 VanDerWaalsContact O-CG 3.32Å; N159-M163 WeakPolarHBondContact O-CG 3.32Å; N159-M163 PolarHBondContact O-N 3.49Å; Y160-M163 WeakPolarHBondContact O-CA 3.41Å; Y160-M163 WeakPolarHBondContact O-CB 3.37Å; Y160-M163 PolarHBondContact O-N 3.14Å; M163-C165 PolarHBondContact O-N 2.94Å
164	T	79	Confident	80.7	Confident	10 Å²	10	70.4 Å²	70.4	6%	0.061	34%	0.342	C	S	.	.	H	α-helix	trans	-68.7	-23.6	176.4	62.7	0	0	0	0	112.4	L83 Y160 R161 N166 Y169	L83-T164 HydrophobicContact CD1-CG2 4.36Å; L83-T164 HydrophobicContact CD2-CG2 4.17Å; Y160-T164 HydrophobicContact CD1-CG2 4.25Å; Y160-T164 HydrophobicContact CD2-CG2 4.45Å; Y160-T164 HydrophobicContact CE1-CG2 3.74Å; Y160-T164 HydrophobicContact CE2-CG2 3.99Å; Y160-T164 PolarHBondContact O-N 2.88Å; R161-T164 PolarHBondContact O-OG1 3.13Å; R161-T164 VanDerWaalsContact O-OG1 3.11Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 WeakPolarHBondContact CB-OD1 3.35Å; T164-N166 PolarHBondContact O-N 3.4Å; T164-N166 PolarHBondContact OG1-OD1 2.92Å; T164-Y169 VanDerWaalsContact O-CD2 3.23Å; T164-Y169 WeakPolarHBondContact O-CD2 3.47Å; T164-Y169 WeakPolarHBondContact O-CE2 3.41Å
165	C	84.9	Confident	80	Confident	46 Å²	46	74.5 Å²	74.5	31%	0.311	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	34.5	-179.7	-67.9	0	0	0	0	113.9	A162 M163 W167 F168 Y169	A162-C165 PolarHBondContact O-N 3.35Å; A162-C165 PolarHBondContact O-SG 3.49Å; A162-C165 VanDerWaalsContact O-SG 3.39Å; M163-C165 PolarHBondContact O-N 2.94Å; C165-W167 PolarHBondContact O-N 2.93Å; C165-W167 VanDerWaalsContact O-N 3.11Å; C165-F168 HydrophobicContact CB-CB 4.5Å; C165-F168 WeakPolarHBondContact O-CB 3.49Å; C165-F168 PolarHBondContact O-N 2.9Å; C165-Y169 HydrophobicContact CB-CD2 4.09Å; C165-Y169 HydrophobicContact CB-CE2 3.95Å; C165-Y169 WeakPolarHBondContact O-CD2 3.35Å; C165-Y169 PolarHBondContact O-N 3.45Å
166	N	74	Confident	79.2	Confident	52 Å²	52	75.9 Å²	75.9	28%	0.278	36%	0.361	S	S	.	.	H	α-helix	trans	-49.3	-42.5	-177	-70.2	16	0	0	0	112.6	T164 F168 Y169 E170	T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 WeakPolarHBondContact CB-OD1 3.35Å; T164-N166 PolarHBondContact O-N 3.4Å; T164-N166 PolarHBondContact OG1-OD1 2.92Å; N166-F168 PolarHBondContact O-N 3.36Å; N166-F168 VanDerWaalsContact O-N 3.12Å; N166-Y169 PolarHBondContact O-N 2.68Å; N166-E170 VanDerWaalsContact O-CB 3.28Å; N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 WeakPolarHBondContact O-CG 3.37Å; N166-E170 PolarHBondContact O-N 2.81Å
167	W	80.9	Confident	78.4	Confident	193 Å²	193	80 Å²	80	73%	0.731	37%	0.374	S	S	*	.	H	α-helix	trans	-53.2	-35.5	178	75.1	-92.3	0	0	0	113.8	C165 T171	C165-W167 PolarHBondContact O-N 2.93Å; C165-W167 VanDerWaalsContact O-N 3.11Å; W167-T171 WeakPolarHBondContact O-CB 3.31Å; W167-T171 PolarHBondContact O-OG1 3.27Å
168	F	81.3	Confident	77.7	Confident	95 Å²	95	80.8 Å²	80.8	42%	0.417	38%	0.377	S	S	.	.	H	α-helix	trans	-80.2	-51.3	177.2	170	-99.5	0	0	0	110.6	C165 N166 E170 T171 V172	C165-F168 HydrophobicContact CB-CB 4.5Å; C165-F168 WeakPolarHBondContact O-CB 3.49Å; C165-F168 PolarHBondContact O-N 2.9Å; N166-F168 PolarHBondContact O-N 3.36Å; N166-F168 VanDerWaalsContact O-N 3.12Å; F168-E170 PolarHBondContact O-N 3.05Å; F168-T171 PolarHBondContact O-N 3.5Å; F168-V172 HydrophobicContact CD1-CG2 4.44Å; F168-V172 HydrophobicContact CD2-CG2 4.23Å; F168-V172 HydrophobicContact CE1-CG2 4.1Å; F168-V172 HydrophobicContact CE2-CG2 3.87Å; F168-V172 HydrophobicContact CZ-CG2 3.8Å; F168-V172 WeakPolarHBondContact O-CG2 3.5Å; F168-V172 PolarHBondContact O-N 3.04Å
169	Y	76.7	Confident	77.6	Confident	104 Å²	104	77.9 Å²	77.9	41%	0.408	37%	0.365	S	S	.	.	H	α-helix	trans	-66.7	-38.2	-175.8	-69.9	-64.7	0	0	0	113.3	T164 C165 N166 V172 I173 F179	T164-Y169 VanDerWaalsContact O-CD2 3.23Å; T164-Y169 WeakPolarHBondContact O-CD2 3.47Å; T164-Y169 WeakPolarHBondContact O-CE2 3.41Å; C165-Y169 HydrophobicContact CB-CD2 4.09Å; C165-Y169 HydrophobicContact CB-CE2 3.95Å; C165-Y169 WeakPolarHBondContact O-CD2 3.35Å; C165-Y169 PolarHBondContact O-N 3.45Å; N166-Y169 PolarHBondContact O-N 2.68Å; Y169-V172 PolarHBondContact O-N 3.01Å; Y169-I173 WeakPolarHBondContact O-CG1 3.48Å; Y169-I173 PolarHBondContact O-N 2.99Å; Y169-F179 AromaticContact CD1-CE1 3.78Å; Y169-F179 HydrophobicContact CD1-CE1 3.78Å; Y169-F179 AromaticContact CD1-CZ 3.85Å; Y169-F179 HydrophobicContact CD1-CZ 3.85Å; Y169-F179 HydrophobicContact CE1-CE1 4.39Å
170	E	70.3	Confident	77.6	Confident	102 Å²	102	76.1 Å²	76.1	48%	0.477	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-48.6	171.4	-72.5	176.2	-149.3	0	0	110.9	N166 F168 V172 I173 Q174	N166-E170 VanDerWaalsContact O-CB 3.28Å; N166-E170 WeakPolarHBondContact O-CB 3.45Å; N166-E170 WeakPolarHBondContact O-CG 3.37Å; N166-E170 PolarHBondContact O-N 2.81Å; F168-E170 PolarHBondContact O-N 3.05Å; E170-V172 VanDerWaalsContact C-N 3.3Å; E170-V172 PolarHBondContact O-N 3.46Å; E170-I173 PolarHBondContact O-N 3.06Å; E170-Q174 VanDerWaalsContact O-CB 3.29Å; E170-Q174 WeakPolarHBondContact O-CB 3.42Å; E170-Q174 WeakPolarHBondContact O-CG 3.44Å; E170-Q174 PolarHBondContact O-N 3.09Å
171	T	75.2	Confident	77.7	Confident	78 Å²	78	76.9 Å²	76.9	48%	0.479	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-40.6	178	-62	0	0	0	0	111.5	W167 F168 R175	W167-T171 WeakPolarHBondContact O-CB 3.31Å; W167-T171 PolarHBondContact O-OG1 3.27Å; F168-T171 PolarHBondContact O-N 3.5Å; T171-R175 WeakPolarHBondContact O-CB 3.33Å; T171-R175 PolarHBondContact O-N 3.08Å
172	V	71.7	Confident	78	Confident	24 Å²	24	73.6 Å²	73.6	15%	0.145	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-47.8	177.5	169.7	0	0	0	0	111.3	F168 Y169 E170 R175 F176 F179	F168-V172 HydrophobicContact CD1-CG2 4.44Å; F168-V172 HydrophobicContact CD2-CG2 4.23Å; F168-V172 HydrophobicContact CE1-CG2 4.1Å; F168-V172 HydrophobicContact CE2-CG2 3.87Å; F168-V172 HydrophobicContact CZ-CG2 3.8Å; F168-V172 WeakPolarHBondContact O-CG2 3.5Å; F168-V172 PolarHBondContact O-N 3.04Å; Y169-V172 PolarHBondContact O-N 3.01Å; E170-V172 VanDerWaalsContact C-N 3.3Å; E170-V172 PolarHBondContact O-N 3.46Å; V172-R175 PolarHBondContact O-N 3.24Å; V172-F176 HydrophobicContact CG1-CD2 4.2Å; V172-F176 WeakPolarHBondContact O-CB 3.36Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 3.37Å; V172-F179 HydrophobicContact CB-CE1 4.23Å; V172-F179 HydrophobicContact CG1-CD1 3.59Å; V172-F179 HydrophobicContact CG1-CE1 3.56Å
173	I	70.5	Confident	78.1	Confident	73 Å²	73	70.7 Å²	70.7	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-66.6	-44.3	179.9	-67.8	169.3	0	0	0	111	Y169 E170 R175 R177 F179	Y169-I173 WeakPolarHBondContact O-CG1 3.48Å; Y169-I173 PolarHBondContact O-N 2.99Å; E170-I173 PolarHBondContact O-N 3.06Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 2.96Å; I173-R177 WeakPolarHBondContact O-CA 3.36Å; I173-R177 PolarHBondContact O-N 2.88Å; I173-F179 HydrophobicContact CD1-CE2 4.09Å; I173-F179 HydrophobicContact CD1-CZ 3.71Å; I173-F179 HydrophobicContact CG1-CE1 4.1Å; I173-F179 HydrophobicContact CG1-CE2 4.17Å; I173-F179 HydrophobicContact CG1-CZ 3.67Å
174	Q	71.5	Confident	78.2	Confident	148 Å²	148	69.7 Å²	69.7	69%	0.692	34%	0.335	S	S	*	.	H	α-helix	trans	-61.9	-35.3	177.4	-71.4	172.8	21.4	0	0	112.4	E170	E170-Q174 VanDerWaalsContact O-CB 3.29Å; E170-Q174 WeakPolarHBondContact O-CB 3.42Å; E170-Q174 WeakPolarHBondContact O-CG 3.44Å; E170-Q174 PolarHBondContact O-N 3.09Å
175	R	71.6	Confident	78.5	Confident	101 Å²	101	69.2 Å²	69.2	38%	0.381	33%	0.332	S	S	.	.	H	α-helix	trans	-83	-38.9	-177.7	-179.8	172.3	168.6	143.5	-4.6	113.9	Y42 Q46 T171 V172 I173	Y42-R175 VanDerWaalsContact CE1-CZ 3.47Å; Y42-R175 VanDerWaalsContact CE1-NH1 3.34Å; Y42-R175 VanDerWaalsContact CE1-NH2 3.29Å; Y42-R175 PolarHBondContact OH-NH1 3.44Å; Q46-R175 PolarHBondContact OE1-O 3.23Å; T171-R175 WeakPolarHBondContact O-CB 3.33Å; T171-R175 PolarHBondContact O-N 3.08Å; V172-R175 PolarHBondContact O-N 3.24Å; I173-R175 VanDerWaalsContact C-N 3.27Å; I173-R175 PolarHBondContact O-N 2.96Å
176	F	73.6	Confident	78.4	Confident	52 Å²	52	68.1 Å²	68.1	23%	0.228	32%	0.322	C	S	.	.	H	α-helix	trans	-115.8	-4.6	-168.7	-61.5	-67.6	0	0	0	114.9	I45 Q46 I49 V172 E178	I45-F176 HydrophobicContact CG2-CE1 3.98Å; Q46-F176 PolarHBondContact NE2-O 3.05Å; I49-F176 HydrophobicContact CD1-CD1 3.51Å; I49-F176 HydrophobicContact CD1-CE1 3.84Å; I49-F176 HydrophobicContact CD1-CG 4.45Å; V172-F176 HydrophobicContact CG1-CD2 4.2Å; V172-F176 WeakPolarHBondContact O-CB 3.36Å; V172-F176 WeakPolarHBondContact O-CD2 3.46Å; V172-F176 PolarHBondContact O-N 3.37Å; F176-E178 PolarHBondContact O-N 3.46Å
177	R	71.9	Confident	78.8	Confident	177 Å²	177	66.2 Å²	66.2	67%	0.668	31%	0.313	S	S	*	.	S	Bend	trans	65	-35.4	-171.9	-57.5	175.7	171.8	167.1	-8.4	114.9	E50 I173	E50-R177 VanDerWaalsContact CD-NH1 3.3Å; E50-R177 WeakPolarHBondContact OE1-CD 3.19Å; E50-R177 IonicContact OE1-CZ 2.93Å; E50-R177 IonicContact OE1-NE 2.84Å; E50-R177 IonicContact OE1-NH1 3.98Å; E50-R177 PolarHBondContact OE1-NH1 2.94Å; E50-R177 IonicContact OE2-NH1 3.37Å; E50-R177 PolarHBondContact OE2-NH1 3.48Å; I173-R177 WeakPolarHBondContact O-CA 3.36Å; I173-R177 PolarHBondContact O-N 2.88Å
178	E	71.7	Confident	78.9	Confident	49 Å²	49	57.6 Å²	57.6	23%	0.229	28%	0.281	C	S	.	.	S	Bend	trans	-145.3	177.2	176.9	64.9	179.8	-170.1	0	0	113.1	F176 T182 A183 K186	F176-E178 PolarHBondContact O-N 3.46Å; E178-T182 HydrophobicContact CB-CG2 4.37Å; E178-T182 WeakPolarHBondContact OE2-CG2 3.37Å; E178-A183 HydrophobicContact CG-CB 4.32Å; E178-A183 WeakPolarHBondContact OE1-CA 3.26Å; E178-A183 VanDerWaalsContact OE1-CB 3.32Å; E178-A183 WeakPolarHBondContact OE1-CB 3.36Å; E178-K186 WeakPolarHBondContact OE2-CD 3.47Å; E178-K186 VanDerWaalsContact OE2-CE 3.29Å; E178-K186 WeakPolarHBondContact OE2-CE 3.41Å; E178-K186 IonicContact OE2-NZ 3.57Å; E178-K186 PolarHBondContact OE2-NZ 2.91Å
179	F	83.2	Confident	78.5	Confident	39 Å²	39	54.5 Å²	54.5	17%	0.171	27%	0.268	C	S	.	.			trans	-92.6	150.9	-179.7	-62.6	-66	0	0	0	112.4	Y169 V172 I173 S181 T182 A183	Y169-F179 AromaticContact CD1-CE1 3.78Å; Y169-F179 HydrophobicContact CD1-CE1 3.78Å; Y169-F179 AromaticContact CD1-CZ 3.85Å; Y169-F179 HydrophobicContact CD1-CZ 3.85Å; Y169-F179 HydrophobicContact CE1-CE1 4.39Å; V172-F179 HydrophobicContact CB-CE1 4.23Å; V172-F179 HydrophobicContact CG1-CD1 3.59Å; V172-F179 HydrophobicContact CG1-CE1 3.56Å; I173-F179 HydrophobicContact CD1-CE2 4.09Å; I173-F179 HydrophobicContact CD1-CZ 3.71Å; I173-F179 HydrophobicContact CG1-CE1 4.1Å; I173-F179 HydrophobicContact CG1-CE2 4.17Å; I173-F179 HydrophobicContact CG1-CZ 3.67Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.04Å; F179-T182 WeakPolarHBondContact O-CA 3.4Å; F179-T182 VanDerWaalsContact O-CB 3.22Å; F179-T182 WeakPolarHBondContact O-CB 3.49Å; F179-T182 PolarHBondContact O-N 3.37Å; F179-A183 PolarHBondContact O-N 3.3Å
180	G	85.5	Confident	77.8	Confident	53 Å²	53	50.5 Å²	50.5	55%	0.546	26%	0.258	S	S	.	.	H	α-helix	trans	-52	-42.8	-176.4	0	0	0	0	0	115.1	T182 A183 V184	G180-T182 VanDerWaalsContact C-N 3.31Å; G180-T182 PolarHBondContact O-N 3.49Å; G180-A183 PolarHBondContact O-N 3.34Å; G180-V184 WeakPolarHBondContact O-CB 3.35Å; G180-V184 VanDerWaalsContact O-CG2 3.23Å; G180-V184 WeakPolarHBondContact O-CG2 3.48Å; G180-V184 PolarHBondContact O-N 3.49Å
181	S	88.5	Confident	77.3	Confident	21 Å²	21	48.6 Å²	48.6	15%	0.147	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-30	176.9	-57.3	0	0	0	0	113.3	D72 F179 A185	D72-S181 WeakPolarHBondContact CB-OG 3.46Å; D72-S181 VanDerWaalsContact CG-OG 3.24Å; D72-S181 VanDerWaalsContact OD2-CB 3.23Å; D72-S181 WeakPolarHBondContact OD2-CB 3.41Å; D72-S181 PolarHBondContact OD2-OG 2.88Å; F179-S181 VanDerWaalsContact C-N 3.34Å; F179-S181 PolarHBondContact O-N 3.04Å; S181-A185 WeakPolarHBondContact O-CB 3.47Å; S181-A185 PolarHBondContact O-N 2.92Å
182	T	86.3	Confident	76.5	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.043	26%	0.257	C	S	.	.	H	α-helix	trans	-68.4	-49.9	172.7	-49.8	0	0	0	0	110.1	E178 F179 G180 V184 A185 K186 L204	E178-T182 HydrophobicContact CB-CG2 4.37Å; E178-T182 WeakPolarHBondContact OE2-CG2 3.37Å; F179-T182 WeakPolarHBondContact O-CA 3.4Å; F179-T182 VanDerWaalsContact O-CB 3.22Å; F179-T182 WeakPolarHBondContact O-CB 3.49Å; F179-T182 PolarHBondContact O-N 3.37Å; G180-T182 VanDerWaalsContact C-N 3.31Å; G180-T182 PolarHBondContact O-N 3.49Å; T182-V184 PolarHBondContact O-N 2.69Å; T182-A185 PolarHBondContact O-N 3.3Å; T182-K186 HydrophobicContact CG2-CD 4.34Å; T182-K186 WeakPolarHBondContact O-CB 3.37Å; T182-K186 WeakPolarHBondContact O-CG 3.43Å; T182-K186 PolarHBondContact O-N 3.1Å; T182-L204 HydrophobicContact CG2-CD2 3.78Å
183	A	85.5	Confident	76.1	Confident	6 Å²	6	55 Å²	55	5%	0.05	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-45	175.8	0	0	0	0	0	112.6	I49 L52 E178 F179 G180 K186 S187	I49-A183 HydrophobicContact CG2-CB 4.25Å; L52-A183 HydrophobicContact CD2-CB 4.32Å; E178-A183 HydrophobicContact CG-CB 4.32Å; E178-A183 WeakPolarHBondContact OE1-CA 3.26Å; E178-A183 VanDerWaalsContact OE1-CB 3.32Å; E178-A183 WeakPolarHBondContact OE1-CB 3.36Å; F179-A183 PolarHBondContact O-N 3.3Å; G180-A183 PolarHBondContact O-N 3.34Å; A183-K186 PolarHBondContact O-N 3.29Å; A183-S187 WeakPolarHBondContact O-CB 3.36Å; A183-S187 PolarHBondContact O-N 3.35Å
184	V	88.4	Confident	75.8	Confident	33 Å²	33	60.3 Å²	60.3	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-43.9	176.7	169.7	0	0	0	0	111.2	L52 L54 V65 V69 G180 T182 S187 L188	L52-V184 HydrophobicContact CD2-CG2 3.97Å; L54-V184 HydrophobicContact CD1-CB 4.33Å; L54-V184 HydrophobicContact CD1-CG1 3.76Å; L54-V184 HydrophobicContact CD1-CG2 4.36Å; V65-V184 HydrophobicContact CG1-CG1 3.55Å; V69-V184 HydrophobicContact CG2-CB 4.21Å; V69-V184 HydrophobicContact CG2-CG1 3.56Å; G180-V184 WeakPolarHBondContact O-CB 3.35Å; G180-V184 VanDerWaalsContact O-CG2 3.23Å; G180-V184 WeakPolarHBondContact O-CG2 3.48Å; G180-V184 PolarHBondContact O-N 3.49Å; T182-V184 PolarHBondContact O-N 2.69Å; V184-S187 PolarHBondContact O-N 3.24Å; V184-L188 HydrophobicContact CG1-CD1 4.07Å; V184-L188 WeakPolarHBondContact O-CB 3.35Å; V184-L188 VanDerWaalsContact O-CG 3.28Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 3.44Å
185	A	85.4	Confident	75.5	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-47.8	175.4	0	0	0	0	0	111.5	V69 F73 S181 T182 S187 L188 F189 L204	V69-A185 HydrophobicContact CG1-CB 3.89Å; F73-A185 HydrophobicContact CE2-CB 4.18Å; F73-A185 HydrophobicContact CZ-CB 4.38Å; S181-A185 WeakPolarHBondContact O-CB 3.47Å; S181-A185 PolarHBondContact O-N 2.92Å; T182-A185 PolarHBondContact O-N 3.3Å; A185-S187 VanDerWaalsContact C-N 3.32Å; A185-S187 PolarHBondContact O-N 3.37Å; A185-L188 PolarHBondContact O-N 3.17Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 PolarHBondContact O-N 3.24Å; A185-L204 HydrophobicContact CB-CD1 4.15Å; A185-L204 HydrophobicContact CB-CD2 3.84Å; A185-L204 HydrophobicContact CB-CG 4.21Å
186	K	82.7	Confident	75.4	Confident	23 Å²	23	53.7 Å²	53.7	10%	0.1	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-41.6	175.7	-77.9	-178.5	179.8	-177.5	0	112.5	E178 T182 A183 F189 G190 V196 Q197 L204	E178-K186 WeakPolarHBondContact OE2-CD 3.47Å; E178-K186 VanDerWaalsContact OE2-CE 3.29Å; E178-K186 WeakPolarHBondContact OE2-CE 3.41Å; E178-K186 IonicContact OE2-NZ 3.57Å; E178-K186 PolarHBondContact OE2-NZ 2.91Å; T182-K186 HydrophobicContact CG2-CD 4.34Å; T182-K186 WeakPolarHBondContact O-CB 3.37Å; T182-K186 WeakPolarHBondContact O-CG 3.43Å; T182-K186 PolarHBondContact O-N 3.1Å; A183-K186 PolarHBondContact O-N 3.29Å; K186-F189 PolarHBondContact O-N 3.5Å; K186-G190 VanDerWaalsContact O-CA 3.3Å; K186-G190 WeakPolarHBondContact O-CA 3.23Å; K186-G190 PolarHBondContact O-N 3.2Å; K186-V196 HydrophobicContact CG-CG1 4.32Å; K186-Q197 WeakPolarHBondContact CE-O 3.24Å; K186-Q197 PolarHBondContact NZ-O 2.88Å; K186-L204 HydrophobicContact CG-CD2 4.36Å
187	S	83.5	Confident	75.2	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-45.5	173.3	-173.4	0	0	0	0	112.7	L52 L54 A183 V184 A185 F189	L52-S187 VanDerWaalsContact O-CB 3.28Å; L52-S187 WeakPolarHBondContact O-CB 3.36Å; L52-S187 PolarHBondContact O-OG 3.2Å; L54-S187 WeakPolarHBondContact CG-OG 3.45Å; L54-S187 PolarHBondContact N-OG 3.01Å; A183-S187 WeakPolarHBondContact O-CB 3.36Å; A183-S187 PolarHBondContact O-N 3.35Å; V184-S187 PolarHBondContact O-N 3.24Å; A185-S187 VanDerWaalsContact C-N 3.32Å; A185-S187 PolarHBondContact O-N 3.37Å; S187-F189 PolarHBondContact O-N 3.01Å
188	L	81.4	Confident	75.1	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-34.5	-180	-72.8	172.2	0	0	0	113.3	L54 L57 R62 V65 L66 V184 A185	L54-L188 HydrophobicContact CB-CD2 4.15Å; L54-L188 HydrophobicContact CD1-CD2 4.28Å; L54-L188 HydrophobicContact CD1-CG 4.15Å; L57-L188 HydrophobicContact CD1-CD2 4.49Å; R62-L188 HydrophobicContact CB-CD2 4Å; R62-L188 HydrophobicContact CG-CD2 3.81Å; V65-L188 HydrophobicContact CB-CD1 4.4Å; V65-L188 HydrophobicContact CG1-CD1 3.97Å; L66-L188 HydrophobicContact CB-CD1 4.4Å; L66-L188 HydrophobicContact CD1-CD1 4.42Å; V184-L188 HydrophobicContact CG1-CD1 4.07Å; V184-L188 WeakPolarHBondContact O-CB 3.35Å; V184-L188 VanDerWaalsContact O-CG 3.28Å; V184-L188 WeakPolarHBondContact O-CG 3.39Å; V184-L188 PolarHBondContact O-N 3.44Å; A185-L188 PolarHBondContact O-N 3.17Å
189	F	73.9	Confident	75	Confident	31 Å²	31	53 Å²	53	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-94.6	-24.8	179.3	-70.1	-64.1	0	0	0	114.7	L66 A185 K186 S187 S191 R192 F193 V196 L204 L207 L208	L66-F189 HydrophobicContact CD1-CE2 3.95Å; L66-F189 HydrophobicContact CD1-CZ 3.84Å; L66-F189 HydrophobicContact CD2-CZ 4.39Å; A185-F189 WeakPolarHBondContact O-CD2 3.26Å; A185-F189 PolarHBondContact O-N 3.24Å; K186-F189 PolarHBondContact O-N 3.5Å; S187-F189 PolarHBondContact O-N 3.01Å; F189-S191 PolarHBondContact O-N 3.04Å; F189-S191 VanDerWaalsContact O-N 3.13Å; F189-R192 CarbonylContact O-C 3.59Å; F189-R192 WeakPolarHBondContact O-CA 3.4Å; F189-R192 PolarHBondContact O-N 3.49Å; F189-F193 HydrophobicContact CD1-CD2 4.35Å; F189-F193 PolarHBondContact O-N 3.16Å; F189-V196 HydrophobicContact CB-CB 4.14Å; F189-V196 HydrophobicContact CB-CG1 3.71Å; F189-V196 HydrophobicContact CB-CG2 4.15Å; F189-V196 HydrophobicContact CD2-CG1 4.35Å; F189-V196 HydrophobicContact CG-CG1 4.39Å; F189-L204 HydrophobicContact CD2-CD1 4.41Å; F189-L207 HydrophobicContact CZ-CD2 4.47Å; F189-L208 HydrophobicContact CE2-CD2 3.58Å; F189-L208 HydrophobicContact CE2-CG 4.14Å; F189-L208 HydrophobicContact CZ-CD2 3.77Å
190	G	62.3	Low	74.5	Confident	19 Å²	19	53.6 Å²	53.6	20%	0.196	29%	0.288	C	S	.	.	H	α-helix	trans	-63.2	-22.5	-170.9	0	0	0	0	0	114.4	K186 R192	K186-G190 VanDerWaalsContact O-CA 3.3Å; K186-G190 WeakPolarHBondContact O-CA 3.23Å; K186-G190 PolarHBondContact O-N 3.2Å; G190-R192 VanDerWaalsContact C-N 3.31Å
191	S	59.1	Low	73.7	Confident	63 Å²	63	52.4 Å²	52.4	44%	0.441	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.6	170.4	51.6	0	0	0	0	114.5	N55 F189	N55-S191 WeakPolarHBondContact OD1-CB 3.49Å; N55-S191 PolarHBondContact OD1-OG 2.86Å; F189-S191 PolarHBondContact O-N 3.04Å; F189-S191 VanDerWaalsContact O-N 3.13Å
192	R	57.9	Low	72.9	Confident	136 Å²	136	57.2 Å²	57.2	51%	0.513	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-30.7	178.5	-59.2	-178.2	-173.3	174.3	5.3	112.5	E59 F189 G190	E59-R192 IonicContact OE1-CZ 3.21Å; E59-R192 VanDerWaalsContact OE1-CZ 3.31Å; E59-R192 IonicContact OE1-NH1 2.66Å; E59-R192 PolarHBondContact OE1-NH1 2.82Å; E59-R192 IonicContact OE1-NH2 3.12Å; E59-R192 PolarHBondContact OE1-NH2 2.82Å; E59-R192 IonicContact OE2-CZ 2.68Å; E59-R192 IonicContact OE2-NH2 3.68Å; E59-R192 PolarHBondContact OE2-NH2 2.79Å; F189-R192 CarbonylContact O-C 3.59Å; F189-R192 WeakPolarHBondContact O-CA 3.4Å; F189-R192 PolarHBondContact O-N 3.49Å; G190-R192 VanDerWaalsContact C-N 3.31Å
193	F	62.9	Low	72.3	Confident	101 Å²	101	61.9 Å²	61.9	44%	0.443	31%	0.309	S	S	.	.			trans	-143.5	100	-173.3	-55.5	-76.5	0	0	0	111.4	F189 Q195 V196	F189-F193 HydrophobicContact CD1-CD2 4.35Å; F189-F193 PolarHBondContact O-N 3.16Å; F193-Q195 VanDerWaalsContact C-N 3.25Å; F193-Q195 PolarHBondContact O-N 3.07Å; F193-V196 HydrophobicContact CB-CB 4.38Å; F193-V196 HydrophobicContact CB-CG2 3.66Å; F193-V196 HydrophobicContact CG-CG2 4.47Å; F193-V196 WeakPolarHBondContact O-CB 3.03Å; F193-V196 PolarHBondContact O-N 2.96Å; F193-V196 VanDerWaalsContact O-N 3.17Å
194	K	64.8	Low	71.9	Confident	183 Å²	183	61.6 Å²	61.6	80%	0.796	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-56.4	-39.8	176.7	-73.4	-171.7	174.7	-174.4	0	112.8	V196 Q197	K194-V196 PolarHBondContact O-N 2.9Å; K194-Q197 WeakPolarHBondContact O-CB 3.31Å; K194-Q197 WeakPolarHBondContact O-CG 3.31Å; K194-Q197 PolarHBondContact O-N 3.41Å; K194-Q197 VanDerWaalsContact O-N 3.07Å
195	Q	65.4	Low	71.3	Confident	108 Å²	108	62.9 Å²	62.9	51%	0.505	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-55.2	-22.8	179.5	-68.9	162.4	-15.4	0	0	113.9	F193 Q197 M199	F193-Q195 VanDerWaalsContact C-N 3.25Å; F193-Q195 PolarHBondContact O-N 3.07Å; Q195-Q197 VanDerWaalsContact C-N 3.26Å; Q195-Q197 PolarHBondContact O-N 2.91Å; Q195-M199 WeakPolarHBondContact O-CG 3.15Å
196	V	68.7	Low	70.8	Confident	2 Å²	2	67 Å²	67	1%	0.012	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-70.5	-21.9	179.8	169.6	0	0	0	0	112.6	K186 F189 F193 K194 D198 M199 L204 L207	K186-V196 HydrophobicContact CG-CG1 4.32Å; F189-V196 HydrophobicContact CB-CB 4.14Å; F189-V196 HydrophobicContact CB-CG1 3.71Å; F189-V196 HydrophobicContact CB-CG2 4.15Å; F189-V196 HydrophobicContact CD2-CG1 4.35Å; F189-V196 HydrophobicContact CG-CG1 4.39Å; F193-V196 HydrophobicContact CB-CB 4.38Å; F193-V196 HydrophobicContact CB-CG2 3.66Å; F193-V196 HydrophobicContact CG-CG2 4.47Å; F193-V196 WeakPolarHBondContact O-CB 3.03Å; F193-V196 PolarHBondContact O-N 2.96Å; F193-V196 VanDerWaalsContact O-N 3.17Å; K194-V196 PolarHBondContact O-N 2.9Å; V196-D198 VanDerWaalsContact C-N 3.31Å; V196-D198 PolarHBondContact O-N 3.13Å; V196-M199 HydrophobicContact CB-CE 4.12Å; V196-M199 HydrophobicContact CG1-CE 3.93Å; V196-M199 HydrophobicContact CG2-CE 3.84Å; V196-M199 HydrophobicContact CG2-SD 4.46Å; V196-M199 PolarHBondContact O-N 3.14Å; V196-L204 HydrophobicContact CG1-CD1 3.79Å; V196-L207 HydrophobicContact CG2-CD1 4.18Å
197	Q	69.6	Low	70.4	Confident	85 Å²	85	68.6 Å²	68.6	40%	0.397	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-64.6	-34.7	-179.2	-62.5	-66.4	6.8	0	0	113	K186 K194 Q195	K186-Q197 WeakPolarHBondContact CE-O 3.24Å; K186-Q197 PolarHBondContact NZ-O 2.88Å; K194-Q197 WeakPolarHBondContact O-CB 3.31Å; K194-Q197 WeakPolarHBondContact O-CG 3.31Å; K194-Q197 PolarHBondContact O-N 3.41Å; K194-Q197 VanDerWaalsContact O-N 3.07Å; Q195-Q197 VanDerWaalsContact C-N 3.26Å; Q195-Q197 PolarHBondContact O-N 2.91Å
198	D	70.3	Confident	69.9	Low	147 Å²	147	68 Å²	68	79%	0.786	34%	0.336	S	S	*	.	S	Bend	trans	-94.3	-8.4	-174.6	-54.1	-63	0	0	0	113.4	V196	V196-D198 VanDerWaalsContact C-N 3.31Å; V196-D198 PolarHBondContact O-N 3.13Å
199	M	69.5	Low	69.3	Low	33 Å²	33	71.5 Å²	71.5	16%	0.163	35%	0.35	C	S	.	.			trans	-67.5	145.4	-178.5	-69	-166.3	-37.6	0	0	113.1	Q195 V196 E203 L204 L207	Q195-M199 WeakPolarHBondContact O-CG 3.15Å; V196-M199 HydrophobicContact CB-CE 4.12Å; V196-M199 HydrophobicContact CG1-CE 3.93Å; V196-M199 HydrophobicContact CG2-CE 3.84Å; V196-M199 HydrophobicContact CG2-SD 4.46Å; V196-M199 PolarHBondContact O-N 3.14Å; M199-E203 WeakPolarHBondContact CA-OE2 3.32Å; M199-E203 HydrophobicContact CB-CB 4.07Å; M199-E203 HydrophobicContact CG-CB 4.35Å; M199-E203 HydrophobicContact SD-CB 4.23Å; M199-L204 HydrophobicContact CE-CB 3.93Å; M199-L204 HydrophobicContact CE-CD1 3.68Å; M199-L204 HydrophobicContact CE-CG 4.43Å; M199-L207 HydrophobicContact CE-CB 4.27Å; M199-L207 HydrophobicContact CE-CD1 4.03Å; M199-L207 HydrophobicContact SD-CD1 4.18Å
200	A	72.6	Confident	68.6	Low	51 Å²	51	78.5 Å²	78.5	42%	0.421	38%	0.376	S	S	.	.			trans	-70.5	160.9	169.9	0	0	0	0	0	112.3	E202 E203 L204	A200-E202 PolarHBondContact O-N 3.13Å; A200-E203 HydrophobicContact CB-CG 4.32Å; A200-E203 PolarHBondContact N-OE2 3.46Å; A200-E203 PolarHBondContact O-N 2.81Å; A200-E203 VanDerWaalsContact O-N 3.12Å; A200-L204 WeakPolarHBondContact O-CB 3.12Å; A200-L204 PolarHBondContact O-N 3.13Å
201	E	69.3	Low	67.5	Low	28 Å²	28	81.9 Å²	81.9	13%	0.131	39%	0.393	C	S	.	.	H	α-helix	trans	-53.7	-38.8	176.9	178.3	173.8	125	0	0	112.1	F73 R76 R80 W205	F73-E201 HydrophobicContact CD1-CG 3.83Å; F73-E201 HydrophobicContact CE1-CG 3.65Å; R76-E201 WeakPolarHBondContact CD-OE1 3.3Å; R76-E201 IonicContact CZ-OE2 2.68Å; R76-E201 IonicContact NH1-OE2 2.78Å; R76-E201 PolarHBondContact NH1-OE2 2.74Å; R80-E201 IonicContact CZ-OE1 3.65Å; R80-E201 VanDerWaalsContact CZ-OE1 3.24Å; R80-E201 IonicContact NH1-OE1 2.99Å; R80-E201 PolarHBondContact NH1-OE1 2.86Å; R80-E201 IonicContact NH2-OE1 2.68Å; R80-E201 PolarHBondContact NH2-OE1 3.31Å; E201-W205 WeakPolarHBondContact O-CB 3.42Å; E201-W205 PolarHBondContact O-N 2.76Å
202	E	70.3	Confident	66.4	Low	122 Å²	122	84.4 Å²	84.4	57%	0.57	41%	0.41	S	S	*	.	H	α-helix	trans	-70.7	-35.6	-179.5	-63.4	178.6	176	0	0	113	A200 N206	A200-E202 PolarHBondContact O-N 3.13Å; E202-N206 WeakPolarHBondContact O-CB 3.49Å; E202-N206 PolarHBondContact O-N 2.78Å; E202-N206 PolarHBondContact O-ND2 2.83Å
203	E	74.7	Confident	65.2	Low	105 Å²	105	82.8 Å²	82.8	49%	0.491	42%	0.42	S	S	.	.	H	α-helix	trans	-73.1	-42.2	176.8	-63.6	172.9	139.9	0	0	110.8	M199 A200 N206 L207	M199-E203 WeakPolarHBondContact CA-OE2 3.32Å; M199-E203 HydrophobicContact CB-CB 4.07Å; M199-E203 HydrophobicContact CG-CB 4.35Å; M199-E203 HydrophobicContact SD-CB 4.23Å; A200-E203 HydrophobicContact CB-CG 4.32Å; A200-E203 PolarHBondContact N-OE2 3.46Å; A200-E203 PolarHBondContact O-N 2.81Å; A200-E203 VanDerWaalsContact O-N 3.12Å; E203-N206 PolarHBondContact O-N 2.83Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.42Å
204	L	77.7	Confident	63.8	Low	0 Å²	0	83.5 Å²	83.5	0%	0	44%	0.438	C	S	.	.	H	α-helix	trans	-61.3	-42.7	174	-175.7	57.4	0	0	0	112	F73 T182 A185 K186 F189 V196 M199 A200 L207 L208	F73-L204 HydrophobicContact CZ-CD2 4.07Å; F73-L204 HydrophobicContact CZ-CG 4.45Å; T182-L204 HydrophobicContact CG2-CD2 3.78Å; A185-L204 HydrophobicContact CB-CD1 4.15Å; A185-L204 HydrophobicContact CB-CD2 3.84Å; A185-L204 HydrophobicContact CB-CG 4.21Å; K186-L204 HydrophobicContact CG-CD2 4.36Å; F189-L204 HydrophobicContact CD2-CD1 4.41Å; V196-L204 HydrophobicContact CG1-CD1 3.79Å; M199-L204 HydrophobicContact CE-CB 3.93Å; M199-L204 HydrophobicContact CE-CD1 3.68Å; M199-L204 HydrophobicContact CE-CG 4.43Å; A200-L204 WeakPolarHBondContact O-CB 3.12Å; A200-L204 PolarHBondContact O-N 3.13Å; L204-L207 PolarHBondContact O-N 2.99Å; L204-L208 HydrophobicContact CG-CD1 4.23Å; L204-L208 VanDerWaalsContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CD1 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 2.78Å
205	W	75.7	Confident	62.4	Low	59 Å²	59	83.7 Å²	83.7	22%	0.223	44%	0.438	C	S	.	.	H	α-helix	trans	-57.6	-50.2	169.5	166.8	-105.6	0	0	0	112.2	F73 E74 A77 E201 L207 L208 F209	F73-W205 VanDerWaalsContact C-CZ3 3.46Å; F73-W205 HydrophobicContact CB-CD2 4.31Å; F73-W205 HydrophobicContact CB-CE3 3.25Å; F73-W205 HydrophobicContact CB-CZ3 3.5Å; F73-W205 VanDerWaalsContact CB-CZ3 3.5Å; F73-W205 HydrophobicContact CG-CE3 4.23Å; E74-W205 HydrophobicContact CB-CH2 4.22Å; E74-W205 HydrophobicContact CB-CZ3 4.45Å; E74-W205 HydrophobicContact CG-CH2 3.69Å; E74-W205 HydrophobicContact CG-CZ3 4.03Å; E74-W205 VanDerWaalsContact N-CZ3 3.34Å; A77-W205 HydrophobicContact CB-CH2 4.47Å; A77-W205 HydrophobicContact CB-CZ2 4.17Å; E201-W205 WeakPolarHBondContact O-CB 3.42Å; E201-W205 PolarHBondContact O-N 2.76Å; W205-L207 PolarHBondContact O-N 2.79Å; W205-L208 WeakPolarHBondContact O-CB 3.41Å; W205-L208 PolarHBondContact O-N 2.74Å; W205-F209 HydrophobicContact CD2-CD2 4.11Å; W205-F209 HydrophobicContact CD2-CE2 4.28Å; W205-F209 AromaticContact CE3-CD2 3.58Å; W205-F209 HydrophobicContact CE3-CD2 3.58Å; W205-F209 AromaticContact CE3-CE2 3.33Å; W205-F209 HydrophobicContact CE3-CE2 3.33Å; W205-F209 HydrophobicContact CE3-CZ 4.08Å; W205-F209 HydrophobicContact CH2-CD1 4.48Å; W205-F209 HydrophobicContact CH2-CD2 4.2Å; W205-F209 HydrophobicContact CH2-CE1 4.1Å; W205-F209 AromaticContact CH2-CE2 3.83Å; W205-F209 HydrophobicContact CH2-CE2 3.83Å; W205-F209 AromaticContact CH2-CZ 3.75Å; W205-F209 HydrophobicContact CH2-CZ 3.75Å; W205-F209 AromaticContact CZ3-CD2 3.66Å; W205-F209 HydrophobicContact CZ3-CD2 3.66Å; W205-F209 HydrophobicContact CZ3-CE1 4.12Å; W205-F209 AromaticContact CZ3-CE2 3.07Å; W205-F209 HydrophobicContact CZ3-CE2 3.07Å; W205-F209 HydrophobicContact CZ3-CG 4.41Å; W205-F209 AromaticContact CZ3-CZ 3.33Å; W205-F209 HydrophobicContact CZ3-CZ 3.33Å; W205-F209 WeakPolarHBondContact O-CD2 3.33Å; W205-F209 PolarHBondContact O-N 2.91Å; W205-F209 VanDerWaalsContact O-N 3.12Å
206	N	74	Confident	60.8	Low	86 Å²	86	90.6 Å²	90.6	46%	0.46	46%	0.46	S	S	.	.	H	α-helix	trans	-62.8	-40.6	179.3	-72.1	-34.4	0	0	0	112.5	E202 E203 F209 R210	E202-N206 WeakPolarHBondContact O-CB 3.49Å; E202-N206 PolarHBondContact O-N 2.78Å; E202-N206 PolarHBondContact O-ND2 2.83Å; E203-N206 PolarHBondContact O-N 2.83Å; N206-F209 PolarHBondContact O-N 2.83Å; N206-R210 WeakPolarHBondContact O-CB 3.17Å; N206-R210 WeakPolarHBondContact O-CG 3.49Å; N206-R210 PolarHBondContact O-N 2.74Å
207	L	73.9	Confident	59.2	Low	58 Å²	58	97.1 Å²	97.1	30%	0.304	49%	0.494	S	S	.	.	H	α-helix	trans	-65.6	-41.1	174.7	-178.5	146	0	0	0	112	F189 V196 M199 E203 L204 W205 F209 T211	F189-L207 HydrophobicContact CZ-CD2 4.47Å; V196-L207 HydrophobicContact CG2-CD1 4.18Å; M199-L207 HydrophobicContact CE-CB 4.27Å; M199-L207 HydrophobicContact CE-CD1 4.03Å; M199-L207 HydrophobicContact SD-CD1 4.18Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.42Å; L204-L207 PolarHBondContact O-N 2.99Å; W205-L207 PolarHBondContact O-N 2.79Å; L207-F209 VanDerWaalsContact C-N 3.28Å; L207-F209 PolarHBondContact O-N 3.5Å; L207-T211 PolarHBondContact O-OG1 2.98Å
208	L	73.1	Confident	57.4	Low	0 Å²	0	97.8 Å²	97.8	0%	0	51%	0.508	C	S	.	.	H	α-helix	trans	-59.5	-36.2	176.7	-87.3	165	0	0	0	112.5	L66 V69 K70 F73 F189 L204 W205 T211	L66-L208 HydrophobicContact CD1-CD2 3.44Å; L66-L208 VanDerWaalsContact CD1-CD2 3.44Å; L66-L208 HydrophobicContact CG-CD2 4.41Å; V69-L208 HydrophobicContact CG1-CD1 4.46Å; K70-L208 HydrophobicContact CD-CD2 4.47Å; K70-L208 WeakPolarHBondContact CE-O 3.46Å; K70-L208 HydrophobicContact CG-CD2 3.96Å; K70-L208 PolarHBondContact NZ-O 3.25Å; F73-L208 HydrophobicContact CD2-CD1 3.52Å; F73-L208 HydrophobicContact CE2-CD1 3.36Å; F73-L208 HydrophobicContact CZ-CD1 4.43Å; F189-L208 HydrophobicContact CE2-CD2 3.58Å; F189-L208 HydrophobicContact CE2-CG 4.14Å; F189-L208 HydrophobicContact CZ-CD2 3.77Å; L204-L208 HydrophobicContact CG-CD1 4.23Å; L204-L208 VanDerWaalsContact O-CB 3.23Å; L204-L208 WeakPolarHBondContact O-CB 3.46Å; L204-L208 WeakPolarHBondContact O-CD1 3.31Å; L204-L208 WeakPolarHBondContact O-CG 3.45Å; L204-L208 PolarHBondContact O-N 2.78Å; W205-L208 WeakPolarHBondContact O-CB 3.41Å; W205-L208 PolarHBondContact O-N 2.74Å; L208-T211 PolarHBondContact O-OG1 2.81Å; L208-T211 VanDerWaalsContact O-OG1 3.06Å
209	F	70.3	Confident	55.8	Low	84 Å²	84	97 Å²	97	37%	0.368	50%	0.503	S	S	.	.	H	α-helix	trans	-100.7	-24.4	-171.8	-78.1	-104	0	0	0	114.6	K70 E74 W205 N206 L207 T211	K70-F209 HydrophobicContact CB-CE2 3.88Å; K70-F209 HydrophobicContact CB-CZ 3.64Å; K70-F209 HydrophobicContact CD-CE2 4.14Å; K70-F209 HydrophobicContact CD-CZ 4.16Å; K70-F209 HydrophobicContact CG-CE2 3.69Å; K70-F209 HydrophobicContact CG-CZ 3.89Å; E74-F209 HydrophobicContact CG-CE1 4.32Å; E74-F209 HydrophobicContact CG-CZ 4.06Å; W205-F209 HydrophobicContact CD2-CD2 4.11Å; W205-F209 HydrophobicContact CD2-CE2 4.28Å; W205-F209 AromaticContact CE3-CD2 3.58Å; W205-F209 HydrophobicContact CE3-CD2 3.58Å; W205-F209 AromaticContact CE3-CE2 3.33Å; W205-F209 HydrophobicContact CE3-CE2 3.33Å; W205-F209 HydrophobicContact CE3-CZ 4.08Å; W205-F209 HydrophobicContact CH2-CD1 4.48Å; W205-F209 HydrophobicContact CH2-CD2 4.2Å; W205-F209 HydrophobicContact CH2-CE1 4.1Å; W205-F209 AromaticContact CH2-CE2 3.83Å; W205-F209 HydrophobicContact CH2-CE2 3.83Å; W205-F209 AromaticContact CH2-CZ 3.75Å; W205-F209 HydrophobicContact CH2-CZ 3.75Å; W205-F209 AromaticContact CZ3-CD2 3.66Å; W205-F209 HydrophobicContact CZ3-CD2 3.66Å; W205-F209 HydrophobicContact CZ3-CE1 4.12Å; W205-F209 AromaticContact CZ3-CE2 3.07Å; W205-F209 HydrophobicContact CZ3-CE2 3.07Å; W205-F209 HydrophobicContact CZ3-CG 4.41Å; W205-F209 AromaticContact CZ3-CZ 3.33Å; W205-F209 HydrophobicContact CZ3-CZ 3.33Å; W205-F209 WeakPolarHBondContact O-CD2 3.33Å; W205-F209 PolarHBondContact O-N 2.91Å; W205-F209 VanDerWaalsContact O-N 3.12Å; N206-F209 PolarHBondContact O-N 2.83Å; L207-F209 VanDerWaalsContact C-N 3.28Å; L207-F209 PolarHBondContact O-N 3.5Å; F209-T211 PolarHBondContact O-N 3.11Å
210	R	58.4	Low	54.2	Low	179 Å²	179	102.8 Å²	102.8	68%	0.675	53%	0.53	S	S	*	.	H	α-helix	trans	-67.9	-12.5	172.5	-82.3	-178.2	161.4	171.8	-2.4	115.4	N206 S212	N206-R210 WeakPolarHBondContact O-CB 3.17Å; N206-R210 WeakPolarHBondContact O-CG 3.49Å; N206-R210 PolarHBondContact O-N 2.74Å; R210-S212 VanDerWaalsContact C-N 3.31Å; R210-S212 PolarHBondContact O-N 2.75Å
211	T	39.5	Very low	52.1	Low	90 Å²	90	105 Å²	105	55%	0.552	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	65.7	-172.5	37.7	0	0	0	0	113.6	L207 L208 F209	L207-T211 PolarHBondContact O-OG1 2.98Å; L208-T211 PolarHBondContact O-OG1 2.81Å; L208-T211 VanDerWaalsContact O-OG1 3.06Å; F209-T211 PolarHBondContact O-N 3.11Å
212	S	35.1	Very low	50.5	Low	115 Å²	115	113 Å²	113	80%	0.804	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.5	-12.4	167	-77.3	0	0	0	0	117.1	R210	R210-S212 VanDerWaalsContact C-N 3.31Å; R210-S212 PolarHBondContact O-N 2.75Å
213	S	32.9	Very low	48.6	Very low	103 Å²	103	116.1 Å²	116.1	72%	0.72	59%	0.591	S	S	*	*	S	Bend	trans	-137.4	132.2	178.4	-82.7	0	0	0	0	114.3
214	S	34.2	Very low	46.5	Very low	116 Å²	116	116.3 Å²	116.3	81%	0.811	60%	0.604	S	S	*	*	S	Bend	trans	60.6	120.4	161.6	-71.7	0	0	0	0	121.1
215	K	35.9	Very low	44.6	Very low	186 Å²	186	125.3 Å²	125.3	81%	0.809	65%	0.646	S	S	*	*			trans	62.1	102.1	156.1	-64.9	-174.7	179	178.7	0	118.5	N217	K215-N217 PolarHBondContact O-N 2.66Å; K215-N217 VanDerWaalsContact O-N 3.15Å
216	R	30.9	Very low	42.8	Very low	254 Å²	254	126.9 Å²	126.9	96%	0.958	66%	0.662	S	S	*	*			trans	-51.5	110.3	145	-68.9	172.1	-105.5	140	-7.3	109.5
217	N	35.9	Very low	41.1	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	69%	0.685	S	S	*	*			trans	-121.7	145.5	160.2	-90.1	6.4	0	0	0	108.5	K215 I219	K215-N217 PolarHBondContact O-N 2.66Å; K215-N217 VanDerWaalsContact O-N 3.15Å; N217-I219 PolarHBondContact O-N 3.01Å
218	S	31.8	Very low	40.2	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	70%	0.702	S	S	*	*			trans	-59.1	123.8	-174.1	43.1	0	0	0	0	113.8	E220	S218-E220 PolarHBondContact O-N 2.68Å; S218-E220 VanDerWaalsContact O-N 3.09Å
219	I	36.7	Very low	39.9	Very low	130 Å²	130	140.8 Å²	140.8	67%	0.667	72%	0.72	S	S	*	*			trans	-78.4	81.2	152.9	-54.6	176.7	0	0	0	106.1	N217	N217-I219 PolarHBondContact O-N 3.01Å
220	E	35	Very low	39.9	Very low	155 Å²	155	138.5 Å²	138.5	72%	0.724	72%	0.717	S	S	*	*			trans	-81.2	126.5	-179.9	-168.4	169	-120.8	0	0	109.8	S218 K222	S218-E220 PolarHBondContact O-N 2.68Å; S218-E220 VanDerWaalsContact O-N 3.09Å; E220-K222 PolarHBondContact O-N 3.44Å
221	S	28.2	Very low	40.7	Very low	99 Å²	99	134.7 Å²	134.7	69%	0.692	71%	0.71	S	S	*	*			trans	-71.8	126.2	-174.5	48.8	0	0	0	0	112.1
222	K	35.5	Very low	42.6	Very low	196 Å²	196	135.3 Å²	135.3	85%	0.852	71%	0.706	S	S	*	*			trans	-122.3	98.6	159.1	-75	-170.3	175	179.4	0	109.9	E220	E220-K222 PolarHBondContact O-N 3.44Å
223	E	31	Very low	44.6	Very low	186 Å²	186	131.5 Å²	131.5	87%	0.869	68%	0.682	S	S	*	*			trans	-72.8	123.8	174.5	-56.7	165.7	124.9	0	0	109.7
224	S	31.6	Very low	47.1	Very low	109 Å²	109	128.5 Å²	128.5	76%	0.762	66%	0.655	S	S	*	*			trans	-178.2	57.3	147.3	64.6	0	0	0	0	111	T226	S224-T226 PolarHBondContact O-N 3.32Å
225	E	36	Very low	49.7	Very low	190 Å²	190	128 Å²	128	89%	0.888	64%	0.64	S	S	*	*			trans	-73.8	94.3	170.5	-71	-160.6	140.3	0	0	110.2	F227	E225-F227 PolarHBondContact O-N 3.08Å
226	T	38.6	Very low	52.2	Low	92 Å²	92	122 Å²	122	56%	0.564	63%	0.625	S	S	*	*			trans	-64.1	121.6	162	50.5	0	0	0	0	108.6	S224 Y228	S224-T226 PolarHBondContact O-N 3.32Å; T226-Y228 VanDerWaalsContact O-CD2 3.28Å; T226-Y228 WeakPolarHBondContact O-CD2 3.49Å; T226-Y228 PolarHBondContact O-N 3.32Å; T226-Y228 VanDerWaalsContact OG1-CE2 3.32Å; T226-Y228 WeakPolarHBondContact OG1-CE2 3.46Å
227	F	39	Very low	54.9	Low	211 Å²	211	111 Å²	111	93%	0.925	58%	0.584	S	S	*	*			trans	-58.8	96.6	175.6	-102.2	-103.6	0	0	0	110.9	E225	E225-F227 PolarHBondContact O-N 3.08Å
228	Y	54.5	Low	57.6	Low	169 Å²	169	105.3 Å²	105.3	66%	0.663	55%	0.554	S	S	*	*			trans	-76.8	130.2	172.2	-77.3	-75.4	0	0	0	110	T226 Q232	T226-Y228 VanDerWaalsContact O-CD2 3.28Å; T226-Y228 WeakPolarHBondContact O-CD2 3.49Å; T226-Y228 PolarHBondContact O-N 3.32Å; T226-Y228 VanDerWaalsContact OG1-CE2 3.32Å; T226-Y228 WeakPolarHBondContact OG1-CE2 3.46Å; Y228-Q232 HydrophobicContact CD1-CB 3.93Å
229	S	67.9	Low	60.5	Low	56 Å²	56	106.6 Å²	106.6	39%	0.392	55%	0.547	S	S	.	.			trans	-62.2	152	166.9	178.3	0	0	0	0	110.2	D231 Q232 A233	S229-D231 PolarHBondContact O-N 3.44Å; S229-D231 PolarHBondContact OG-N 3.18Å; S229-Q232 WeakPolarHBondContact O-CB 3.34Å; S229-Q232 PolarHBondContact O-N 3.08Å; S229-A233 PolarHBondContact O-N 2.99Å
230	A	68.7	Low	63.2	Low	36 Å²	36	105.7 Å²	105.7	30%	0.298	54%	0.538	S	S	.	.	H	α-helix	trans	-55.5	-37	173.7	0	0	0	0	0	111.7	Q232 A233 R234 E303	A230-Q232 PolarHBondContact O-N 3.39Å; A230-A233 PolarHBondContact O-N 3.41Å; A230-R234 WeakPolarHBondContact O-CG 3.32Å; A230-R234 PolarHBondContact O-N 2.95Å; A230-E303 HydrophobicContact CB-CB 4.41Å; A230-E303 VanDerWaalsContact CB-CD 3.45Å; A230-E303 HydrophobicContact CB-CG 3.81Å
231	D	75.5	Confident	66	Low	98 Å²	98	98.6 Å²	98.6	52%	0.524	51%	0.505	S	S	.	.	H	α-helix	trans	-57.6	-44.1	171.7	-69.8	-58.1	0	0	0	113.2	S229 A233 R234 E235	S229-D231 PolarHBondContact O-N 3.44Å; S229-D231 PolarHBondContact OG-N 3.18Å; D231-A233 VanDerWaalsContact C-N 3.33Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 2.77Å; D231-R234 IonicContact OD1-NE 3.65Å; D231-R234 IonicContact OD1-NH2 3.58Å; D231-R234 PolarHBondContact OD1-NH2 3.45Å; D231-E235 WeakPolarHBondContact O-CB 3.46Å; D231-E235 PolarHBondContact O-N 3.02Å
232	Q	78.9	Confident	69.2	Low	103 Å²	103	97.3 Å²	97.3	48%	0.481	49%	0.485	S	S	.	.	H	α-helix	trans	-69.5	-35.3	179.8	-64.7	168.6	-22.4	0	0	110.9	Y228 S229 A230 A236	Y228-Q232 HydrophobicContact CD1-CB 3.93Å; S229-Q232 WeakPolarHBondContact O-CB 3.34Å; S229-Q232 PolarHBondContact O-N 3.08Å; A230-Q232 PolarHBondContact O-N 3.39Å; Q232-A236 WeakPolarHBondContact O-CB 3.28Å; Q232-A236 PolarHBondContact O-N 3.21Å
233	A	78.3	Confident	72	Confident	35 Å²	35	92.1 Å²	92.1	29%	0.289	47%	0.467	S	S	.	.	H	α-helix	trans	-65.5	-43.9	172.3	0	0	0	0	0	111.8	S229 A230 D231 A236 Q237	S229-A233 PolarHBondContact O-N 2.99Å; A230-A233 PolarHBondContact O-N 3.41Å; D231-A233 VanDerWaalsContact C-N 3.33Å; A233-A236 PolarHBondContact O-N 3.4Å; A233-Q237 WeakPolarHBondContact O-CG 3.21Å; A233-Q237 PolarHBondContact O-N 2.66Å; A233-Q237 PolarHBondContact O-NE2 3.11Å
234	R	84.8	Confident	75	Confident	41 Å²	41	88.3 Å²	88.3	16%	0.155	44%	0.444	C	S	.	.	H	α-helix	trans	-61.9	-49.5	175.2	-70.9	-170	-66.8	-133.8	4.7	111.8	A230 D231 A236 Q237 I238 L296 E303 Y317	A230-R234 WeakPolarHBondContact O-CG 3.32Å; A230-R234 PolarHBondContact O-N 2.95Å; D231-R234 PolarHBondContact O-N 2.97Å; D231-R234 IonicContact OD1-CZ 2.77Å; D231-R234 IonicContact OD1-NE 3.65Å; D231-R234 IonicContact OD1-NH2 3.58Å; D231-R234 PolarHBondContact OD1-NH2 3.45Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 2.68Å; R234-Q237 WeakPolarHBondContact O-CB 3.46Å; R234-Q237 PolarHBondContact O-N 3.34Å; R234-Q237 VanDerWaalsContact O-N 3.11Å; R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.45Å; R234-L296 HydrophobicContact CB-CD1 4.48Å; R234-L296 HydrophobicContact CG-CD1 3.92Å; R234-E303 IonicContact CZ-OE1 2.69Å; R234-E303 IonicContact CZ-OE2 2.71Å; R234-E303 IonicContact NH1-OE1 3.82Å; R234-E303 PolarHBondContact NH1-OE1 3.03Å; R234-E303 IonicContact NH1-OE2 2.72Å; R234-E303 PolarHBondContact NH1-OE2 3.3Å; R234-E303 IonicContact NH2-OE1 3.22Å; R234-E303 PolarHBondContact NH2-OE1 3.17Å; R234-Y317 WeakPolarHBondContact CD-OH 3.44Å
235	E	88.5	Confident	78	Confident	105 Å²	105	83.1 Å²	83.1	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-38.8	179.1	-175.8	56.5	-152.5	0	0	111.8	D231 Q237 I238 K239	D231-E235 WeakPolarHBondContact O-CB 3.46Å; D231-E235 PolarHBondContact O-N 3.02Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.42Å; E235-I238 PolarHBondContact O-N 3.25Å; E235-K239 VanDerWaalsContact O-CB 3.31Å; E235-K239 WeakPolarHBondContact O-CB 3.2Å; E235-K239 PolarHBondContact O-N 2.91Å
236	A	88.1	Confident	80.7	Confident	61 Å²	61	78.3 Å²	78.3	50%	0.504	39%	0.386	S	S	.	.	H	α-helix	trans	-62.7	-36.1	173.2	0	0	0	0	0	112.7	Q232 A233 R234 K240	Q232-A236 WeakPolarHBondContact O-CB 3.28Å; Q232-A236 PolarHBondContact O-N 3.21Å; A233-A236 PolarHBondContact O-N 3.4Å; R234-A236 VanDerWaalsContact C-N 3.34Å; R234-A236 PolarHBondContact O-N 2.68Å; A236-K240 WeakPolarHBondContact O-CB 3.18Å; A236-K240 PolarHBondContact O-N 3.04Å
237	Q	89.3	Confident	83.3	Confident	22 Å²	22	79.7 Å²	79.7	10%	0.103	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-44.7	173.9	-68.4	164.2	35.9	0	0	112.1	A233 R234 E235 K240 L241 F292 I295 L296 T299	A233-Q237 WeakPolarHBondContact O-CG 3.21Å; A233-Q237 PolarHBondContact O-N 2.66Å; A233-Q237 PolarHBondContact O-NE2 3.11Å; R234-Q237 WeakPolarHBondContact O-CB 3.46Å; R234-Q237 PolarHBondContact O-N 3.34Å; R234-Q237 VanDerWaalsContact O-N 3.11Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.42Å; Q237-K240 PolarHBondContact O-N 2.9Å; Q237-L241 PolarHBondContact O-N 2.92Å; Q237-F292 HydrophobicContact CB-CD2 4.29Å; Q237-F292 HydrophobicContact CB-CE2 4.11Å; Q237-I295 HydrophobicContact CG-CG2 3.93Å; Q237-L296 VanDerWaalsContact OE1-CA 3.22Å; Q237-T299 PolarHBondContact NE2-OG1 3.35Å; Q237-T299 PolarHBondContact OE1-OG1 3.09Å
238	I	92.3	Very high	85.9	Confident	19 Å²	19	70.3 Å²	70.3	10%	0.097	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-49.8	178.4	-68.3	166.3	0	0	0	110	R234 E235 K240 L241 R242 F292 T321 E325	R234-I238 WeakPolarHBondContact O-CG1 3.37Å; R234-I238 PolarHBondContact O-N 3.45Å; E235-I238 PolarHBondContact O-N 3.25Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.14Å; I238-L241 WeakPolarHBondContact O-CB 3.44Å; I238-L241 PolarHBondContact O-N 3.23Å; I238-L241 VanDerWaalsContact O-N 3.14Å; I238-R242 PolarHBondContact O-N 2.97Å; I238-F292 HydrophobicContact CG1-CE2 3.92Å; I238-F292 HydrophobicContact CG1-CZ 3.98Å; I238-T321 HydrophobicContact CD1-CG2 3.97Å; I238-T321 HydrophobicContact CG1-CG2 4.23Å; I238-E325 HydrophobicContact CG2-CG 4.26Å; I238-E325 VanDerWaalsContact CG2-OE2 3.32Å; I238-E325 WeakPolarHBondContact CG2-OE2 3.36Å
239	K	92.8	Very high	87.7	Confident	125 Å²	125	63.3 Å²	63.3	54%	0.543	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-38.7	175	-173.1	173	-177.7	174.1	0	112.5	E235 R242 N243	E235-K239 VanDerWaalsContact O-CB 3.31Å; E235-K239 WeakPolarHBondContact O-CB 3.2Å; E235-K239 PolarHBondContact O-N 2.91Å; K239-R242 PolarHBondContact O-N 3.13Å; K239-N243 WeakPolarHBondContact O-CB 3.13Å; K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 2.97Å; K239-N243 PolarHBondContact O-OD1 2.85Å
240	K	92.8	Very high	88.9	Confident	112 Å²	112	67.1 Å²	67.1	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-67	-34.2	175.7	-178.2	-179.9	179.4	-177	0	112.7	A236 Q237 I238 R244	A236-K240 WeakPolarHBondContact O-CB 3.18Å; A236-K240 PolarHBondContact O-N 3.04Å; Q237-K240 PolarHBondContact O-N 2.9Å; I238-K240 VanDerWaalsContact C-N 3.3Å; I238-K240 PolarHBondContact O-N 3.14Å; K240-R244 WeakPolarHBondContact O-CB 3.39Å; K240-R244 VanDerWaalsContact O-CG 3.26Å; K240-R244 WeakPolarHBondContact O-CG 3.33Å; K240-R244 PolarHBondContact O-N 3.49Å
241	L	94.6	Very high	90	Very high	5 Å²	5	69.7 Å²	69.7	3%	0.026	33%	0.334	C	S	.	.	H	α-helix	trans	-68	-52.2	171.5	177.5	66.3	0	0	0	110.7	Q237 I238 N243 R244 L245 E288 F292 L322 E325	Q237-L241 PolarHBondContact O-N 2.92Å; I238-L241 WeakPolarHBondContact O-CB 3.44Å; I238-L241 PolarHBondContact O-N 3.23Å; I238-L241 VanDerWaalsContact O-N 3.14Å; L241-N243 PolarHBondContact O-N 3.05Å; L241-R244 PolarHBondContact O-N 2.85Å; L241-R244 VanDerWaalsContact O-N 3.08Å; L241-L245 HydrophobicContact CD1-CD1 3.76Å; L241-L245 HydrophobicContact CD1-CD2 4.47Å; L241-L245 HydrophobicContact CD1-CG 3.91Å; L241-L245 HydrophobicContact CD2-CD1 4.29Å; L241-L245 HydrophobicContact CG-CD1 3.8Å; L241-L245 HydrophobicContact CG-CG 4.27Å; L241-L245 PolarHBondContact O-N 2.94Å; L241-E288 HydrophobicContact CD1-CB 4.37Å; L241-F292 HydrophobicContact CB-CB 4.37Å; L241-F292 HydrophobicContact CB-CD2 3.82Å; L241-F292 HydrophobicContact CB-CE2 4.35Å; L241-F292 HydrophobicContact CB-CG 4.16Å; L241-F292 HydrophobicContact CD1-CB 4Å; L241-F292 HydrophobicContact CD1-CG 4.44Å; L241-F292 HydrophobicContact CD2-CB 4.13Å; L241-F292 HydrophobicContact CD2-CD1 3.74Å; L241-F292 HydrophobicContact CD2-CD2 4.02Å; L241-F292 HydrophobicContact CD2-CE1 4.07Å; L241-F292 HydrophobicContact CD2-CE2 4.34Å; L241-F292 HydrophobicContact CD2-CG 3.69Å; L241-F292 HydrophobicContact CD2-CZ 4.35Å; L241-F292 HydrophobicContact CG-CB 4.38Å; L241-F292 HydrophobicContact CG-CD2 4.43Å; L241-F292 HydrophobicContact CG-CG 4.3Å; L241-L322 HydrophobicContact CD2-CD1 3.71Å; L241-E325 HydrophobicContact CD2-CG 4.24Å
242	R	94.4	Very high	90.8	Very high	72 Å²	72	65.2 Å²	65.2	27%	0.272	31%	0.311	S	S	.	.	H	α-helix	trans	-51.6	-58.2	-179.6	-176.3	178.8	-57.8	149.5	15.7	111.5	I238 K239 R244 L245 E246 E325	I238-R242 PolarHBondContact O-N 2.97Å; K239-R242 PolarHBondContact O-N 3.13Å; R242-R244 PolarHBondContact O-N 3.24Å; R242-R244 VanDerWaalsContact O-N 3.09Å; R242-L245 PolarHBondContact O-N 3.43Å; R242-E246 WeakPolarHBondContact CD-OE1 3.37Å; R242-E246 HydrophobicContact CG-CG 4.13Å; R242-E246 WeakPolarHBondContact CG-OE1 3.17Å; R242-E246 WeakPolarHBondContact O-CB 3.21Å; R242-E246 WeakPolarHBondContact O-CG 3.34Å; R242-E246 PolarHBondContact O-N 3.46Å; R242-E325 WeakPolarHBondContact CB-OE1 3.4Å; R242-E325 IonicContact CZ-OE1 2.83Å; R242-E325 IonicContact CZ-OE2 3.48Å; R242-E325 IonicContact NE-OE1 3.14Å; R242-E325 PolarHBondContact NE-OE1 3.3Å; R242-E325 VanDerWaalsContact NH2-CD 3.3Å; R242-E325 IonicContact NH2-OE1 3.24Å; R242-E325 PolarHBondContact NH2-OE1 3.34Å; R242-E325 IonicContact NH2-OE2 2.95Å; R242-E325 PolarHBondContact NH2-OE2 2.7Å
243	N	93.5	Very high	91.4	Very high	87 Å²	87	62.6 Å²	62.6	47%	0.465	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-29.1	-179.1	-69.6	29.9	0	0	0	113.2	K239 L241 K247	K239-N243 WeakPolarHBondContact O-CB 3.13Å; K239-N243 VanDerWaalsContact O-CG 3.28Å; K239-N243 PolarHBondContact O-N 2.97Å; K239-N243 PolarHBondContact O-OD1 2.85Å; L241-N243 PolarHBondContact O-N 3.05Å; N243-K247 VanDerWaalsContact O-CB 3.25Å; N243-K247 WeakPolarHBondContact O-CB 3.38Å; N243-K247 PolarHBondContact O-N 3.49Å
244	R	94.2	Very high	92	Very high	107 Å²	107	65.1 Å²	65.1	40%	0.404	31%	0.311	S	S	.	.	H	α-helix	trans	-78.1	-40.9	176.5	-78.2	179.8	173.2	-148.2	-4.6	112.4	K240 L241 R242 L248 E288	K240-R244 WeakPolarHBondContact O-CB 3.39Å; K240-R244 VanDerWaalsContact O-CG 3.26Å; K240-R244 WeakPolarHBondContact O-CG 3.33Å; K240-R244 PolarHBondContact O-N 3.49Å; L241-R244 PolarHBondContact O-N 2.85Å; L241-R244 VanDerWaalsContact O-N 3.08Å; R242-R244 PolarHBondContact O-N 3.24Å; R242-R244 VanDerWaalsContact O-N 3.09Å; R244-L248 VanDerWaalsContact O-CB 3.23Å; R244-L248 WeakPolarHBondContact O-CB 3.13Å; R244-L248 PolarHBondContact O-N 2.88Å; R244-E288 WeakPolarHBondContact CD-OE2 3.48Å; R244-E288 IonicContact CZ-OE2 3.67Å; R244-E288 IonicContact NE-OE2 2.83Å; R244-E288 IonicContact NH1-OE2 3.91Å; R244-E288 PolarHBondContact NH1-OE2 2.99Å
245	L	94.7	Very high	92.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-43.3	177.8	-67.8	177.8	0	0	0	111.5	L241 R242 L248 M249 A285 E288 M289 I326 I329 L368	L241-L245 HydrophobicContact CD1-CD1 3.76Å; L241-L245 HydrophobicContact CD1-CD2 4.47Å; L241-L245 HydrophobicContact CD1-CG 3.91Å; L241-L245 HydrophobicContact CD2-CD1 4.29Å; L241-L245 HydrophobicContact CG-CD1 3.8Å; L241-L245 HydrophobicContact CG-CG 4.27Å; L241-L245 PolarHBondContact O-N 2.94Å; R242-L245 PolarHBondContact O-N 3.43Å; L245-L248 PolarHBondContact O-N 2.94Å; L245-M249 WeakPolarHBondContact O-CB 3.48Å; L245-M249 VanDerWaalsContact O-CG 3.28Å; L245-M249 WeakPolarHBondContact O-CG 3.47Å; L245-M249 PolarHBondContact O-N 2.84Å; L245-A285 HydrophobicContact CD2-CB 4.34Å; L245-E288 HydrophobicContact CD2-CB 4.42Å; L245-M289 HydrophobicContact CD2-CE 4.46Å; L245-I326 HydrophobicContact CD1-CD1 3.42Å; L245-I326 VanDerWaalsContact CD1-CD1 3.42Å; L245-I329 HydrophobicContact CB-CD1 4.01Å; L245-I329 HydrophobicContact CD1-CD1 3.75Å; L245-L368 HydrophobicContact CD1-CD1 4.22Å; L245-L368 HydrophobicContact CD2-CD1 4.04Å
246	E	92.7	Very high	92.2	Very high	89 Å²	89	61.2 Å²	61.2	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-59.7	-47.7	175.4	-71.4	171.9	166.3	0	0	111.5	R242 L248 M249 E250	R242-E246 WeakPolarHBondContact CD-OE1 3.37Å; R242-E246 HydrophobicContact CG-CG 4.13Å; R242-E246 WeakPolarHBondContact CG-OE1 3.17Å; R242-E246 WeakPolarHBondContact O-CB 3.21Å; R242-E246 WeakPolarHBondContact O-CG 3.34Å; R242-E246 PolarHBondContact O-N 3.46Å; E246-L248 PolarHBondContact O-N 2.69Å; E246-M249 WeakPolarHBondContact O-CB 3.38Å; E246-M249 PolarHBondContact O-N 3.41Å; E246-E250 PolarHBondContact O-N 2.92Å
247	K	93.9	Very high	92.2	Very high	120 Å²	120	59.9 Å²	59.9	52%	0.522	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-41.2	176.1	-173.9	172.5	-170.7	-72.3	0	112.6	N243 M249 E250 E251	N243-K247 VanDerWaalsContact O-CB 3.25Å; N243-K247 WeakPolarHBondContact O-CB 3.38Å; N243-K247 PolarHBondContact O-N 3.49Å; K247-M249 VanDerWaalsContact C-N 3.3Å; K247-M249 PolarHBondContact O-N 2.9Å; K247-E250 PolarHBondContact O-N 3.32Å; K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact NZ-OE1 3.18Å; K247-E251 WeakPolarHBondContact O-CB 3.45Å; K247-E251 WeakPolarHBondContact O-CG 3.37Å; K247-E251 PolarHBondContact O-N 2.96Å
248	L	93.8	Very high	92.1	Very high	15 Å²	15	61.9 Å²	61.9	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-65.5	-35	175.9	179.4	67.5	0	0	0	111.6	R244 L245 E246 T252 F281 N284 A285	R244-L248 VanDerWaalsContact O-CB 3.23Å; R244-L248 WeakPolarHBondContact O-CB 3.13Å; R244-L248 PolarHBondContact O-N 2.88Å; L245-L248 PolarHBondContact O-N 2.94Å; E246-L248 PolarHBondContact O-N 2.69Å; L248-T252 VanDerWaalsContact O-CB 3.27Å; L248-T252 WeakPolarHBondContact O-CB 3.34Å; L248-T252 PolarHBondContact O-N 2.79Å; L248-T252 VanDerWaalsContact O-N 3.07Å; L248-T252 PolarHBondContact O-OG1 2.93Å; L248-F281 HydrophobicContact CD1-CD2 4.44Å; L248-F281 HydrophobicContact CD2-CD2 4.01Å; L248-F281 HydrophobicContact CD2-CE2 3.94Å; L248-F281 HydrophobicContact CG-CD2 3.76Å; L248-F281 HydrophobicContact CG-CE2 3.8Å; L248-N284 HydrophobicContact CD1-CB 3.72Å; L248-N284 HydrophobicContact CD2-CB 3.67Å; L248-N284 HydrophobicContact CG-CB 4.36Å; L248-A285 HydrophobicContact CD2-CB 3.99Å
249	M	93.1	Very high	91.8	Very high	22 Å²	22	61.7 Å²	61.7	11%	0.108	30%	0.299	C	S	.	.	H	α-helix	trans	-66.7	-47.4	173.7	-79	174.2	70.7	0	0	111.4	L245 E246 K247 T252 L253 F281 I329 L368 K371 L372	L245-M249 WeakPolarHBondContact O-CB 3.48Å; L245-M249 VanDerWaalsContact O-CG 3.28Å; L245-M249 WeakPolarHBondContact O-CG 3.47Å; L245-M249 PolarHBondContact O-N 2.84Å; E246-M249 WeakPolarHBondContact O-CB 3.38Å; E246-M249 PolarHBondContact O-N 3.41Å; K247-M249 VanDerWaalsContact C-N 3.3Å; K247-M249 PolarHBondContact O-N 2.9Å; M249-T252 PolarHBondContact O-N 3.18Å; M249-L253 WeakPolarHBondContact O-CB 3.35Å; M249-L253 PolarHBondContact O-N 3.15Å; M249-F281 HydrophobicContact CG-CE2 3.77Å; M249-F281 HydrophobicContact CG-CZ 3.86Å; M249-I329 HydrophobicContact CE-CG2 4.17Å; M249-I329 HydrophobicContact SD-CG2 3.64Å; M249-L368 HydrophobicContact SD-CD2 3.94Å; M249-K371 HydrophobicContact CE-CG 4.16Å; M249-L372 HydrophobicContact CB-CD1 4.37Å; M249-L372 HydrophobicContact CB-CD2 3.82Å; M249-L372 HydrophobicContact CB-CG 4.31Å; M249-L372 HydrophobicContact CE-CD2 4.15Å; M249-L372 HydrophobicContact CE-CG 4.11Å; M249-L372 HydrophobicContact CG-CD1 4.05Å; M249-L372 HydrophobicContact CG-CD2 4.12Å; M249-L372 HydrophobicContact CG-CG 4.06Å; M249-L372 WeakPolarHBondContact O-CD2 3.43Å
250	E	91.6	Very high	91.3	Very high	136 Å²	136	58.4 Å²	58.4	64%	0.636	29%	0.286	S	S	*	.	H	α-helix	trans	-58.3	-52.4	175.4	-175.4	-179	-164	0	0	111.7	E246 K247 T252 L253 T254	E246-E250 PolarHBondContact O-N 2.92Å; K247-E250 PolarHBondContact O-N 3.32Å; E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.09Å; E250-L253 PolarHBondContact O-N 3.41Å; E250-L253 VanDerWaalsContact O-N 3.15Å; E250-T254 WeakPolarHBondContact O-CG2 3.39Å; E250-T254 PolarHBondContact O-N 2.98Å
251	E	92.5	Very high	90.9	Very high	89 Å²	89	60.3 Å²	60.3	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-53.7	-46.9	176.1	-75.8	173.3	-178.1	0	0	111.5	K247 L253 T254 E255	K247-E251 IonicContact NZ-OE1 3.43Å; K247-E251 PolarHBondContact NZ-OE1 3.18Å; K247-E251 WeakPolarHBondContact O-CB 3.45Å; K247-E251 WeakPolarHBondContact O-CG 3.37Å; K247-E251 PolarHBondContact O-N 2.96Å; E251-L253 PolarHBondContact O-N 2.88Å; E251-T254 PolarHBondContact O-N 3.42Å; E251-T254 PolarHBondContact O-OG1 2.99Å; E251-E255 PolarHBondContact O-N 3.39Å
252	T	92.9	Very high	90.3	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-66.1	-39	179.9	-58.9	0	0	0	0	112	L248 M249 E250 T254 E255 L256 V277 F281 L372	L248-T252 VanDerWaalsContact O-CB 3.27Å; L248-T252 WeakPolarHBondContact O-CB 3.34Å; L248-T252 PolarHBondContact O-N 2.79Å; L248-T252 VanDerWaalsContact O-N 3.07Å; L248-T252 PolarHBondContact O-OG1 2.93Å; M249-T252 PolarHBondContact O-N 3.18Å; E250-T252 VanDerWaalsContact C-N 3.3Å; E250-T252 PolarHBondContact O-N 3.09Å; T252-T254 VanDerWaalsContact C-N 3.3Å; T252-T254 PolarHBondContact O-N 3.3Å; T252-E255 PolarHBondContact O-N 2.9Å; T252-L256 HydrophobicContact CG2-CD1 4.27Å; T252-L256 HydrophobicContact CG2-CG 4.42Å; T252-L256 WeakPolarHBondContact O-CG 3.3Å; T252-L256 PolarHBondContact O-N 3.17Å; T252-V277 HydrophobicContact CG2-CG1 3.77Å; T252-F281 HydrophobicContact CG2-CB 3.88Å; T252-F281 HydrophobicContact CG2-CD2 4.02Å; T252-F281 HydrophobicContact CG2-CG 4.11Å; T252-F281 VanDerWaalsContact OG1-CD2 3.26Å; T252-F281 WeakPolarHBondContact OG1-CD2 3.31Å; T252-L372 HydrophobicContact CG2-CD1 3.86Å
253	L	90.8	Very high	89.7	Confident	47 Å²	47	66.9 Å²	66.9	25%	0.246	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-36	176.3	-173.7	62.9	0	0	0	111.6	M249 E250 E251 N257 L372 L376	M249-L253 WeakPolarHBondContact O-CB 3.35Å; M249-L253 PolarHBondContact O-N 3.15Å; E250-L253 PolarHBondContact O-N 3.41Å; E250-L253 VanDerWaalsContact O-N 3.15Å; E251-L253 PolarHBondContact O-N 2.88Å; L253-N257 WeakPolarHBondContact O-CB 3.4Å; L253-N257 PolarHBondContact O-N 3.4Å; L253-N257 PolarHBondContact O-ND2 3.24Å; L253-L372 HydrophobicContact CB-CD2 4.19Å; L253-L376 HydrophobicContact CD1-CB 4.1Å; L253-L376 HydrophobicContact CD1-CD1 4.11Å
254	T	90.4	Very high	89.1	Confident	88 Å²	88	65.2 Å²	65.2	54%	0.54	33%	0.33	S	S	.	.	H	α-helix	trans	-69	-39.2	173	68.6	0	0	0	0	112.3	E250 E251 T252 N257 A258	E250-T254 WeakPolarHBondContact O-CG2 3.39Å; E250-T254 PolarHBondContact O-N 2.98Å; E251-T254 PolarHBondContact O-N 3.42Å; E251-T254 PolarHBondContact O-OG1 2.99Å; T252-T254 VanDerWaalsContact C-N 3.3Å; T252-T254 PolarHBondContact O-N 3.3Å; T254-N257 PolarHBondContact O-N 3.12Å; T254-A258 WeakPolarHBondContact O-CB 3.23Å; T254-A258 PolarHBondContact O-N 2.93Å
255	E	90.7	Very high	88.3	Confident	64 Å²	64	61.3 Å²	61.3	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-66.9	-42.1	178.6	-165.9	172.5	-163.8	0	0	111.7	E251 T252 A258 V259 V277 K280	E251-E255 PolarHBondContact O-N 3.39Å; T252-E255 PolarHBondContact O-N 2.9Å; E255-A258 PolarHBondContact O-N 3.2Å; E255-V259 WeakPolarHBondContact O-CG2 3.26Å; E255-V259 PolarHBondContact O-N 2.93Å; E255-V277 HydrophobicContact CB-CG1 4.31Å; E255-V277 HydrophobicContact CG-CG1 4.26Å; E255-V277 HydrophobicContact CG-CG2 3.74Å; E255-K280 IonicContact OE1-NZ 2.68Å; E255-K280 PolarHBondContact OE1-NZ 3.29Å; E255-K280 IonicContact OE2-NZ 3.13Å; E255-K280 PolarHBondContact OE2-NZ 3.07Å
256	L	88	Confident	87.3	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-45.8	172.9	-66.9	176.5	0	0	0	111.8	T252 A258 V259 E260 V277 Y369 L376	T252-L256 HydrophobicContact CG2-CD1 4.27Å; T252-L256 HydrophobicContact CG2-CG 4.42Å; T252-L256 WeakPolarHBondContact O-CG 3.3Å; T252-L256 PolarHBondContact O-N 3.17Å; L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 2.88Å; L256-V259 PolarHBondContact O-N 3.09Å; L256-E260 WeakPolarHBondContact O-CG 3.42Å; L256-E260 PolarHBondContact O-N 3.41Å; L256-V277 HydrophobicContact CD2-CB 3.79Å; L256-V277 HydrophobicContact CD2-CG1 3.52Å; L256-V277 HydrophobicContact CD2-CG2 4.49Å; L256-V277 HydrophobicContact CG-CG1 3.83Å; L256-Y369 HydrophobicContact CD1-CE2 4.29Å; L256-L376 HydrophobicContact CB-CD2 3.93Å; L256-L376 HydrophobicContact CD1-CD2 4.07Å
257	N	87.7	Confident	86.4	Confident	34 Å²	34	64 Å²	64	18%	0.182	34%	0.343	C	S	.	.	H	α-helix	trans	-58.3	-38	174.7	-95.9	-93.2	0	0	0	112.7	L253 T254 E260 K261	L253-N257 WeakPolarHBondContact O-CB 3.4Å; L253-N257 PolarHBondContact O-N 3.4Å; L253-N257 PolarHBondContact O-ND2 3.24Å; T254-N257 PolarHBondContact O-N 3.12Å; N257-E260 PolarHBondContact O-N 2.91Å; N257-K261 WeakPolarHBondContact O-CB 3.28Å; N257-K261 WeakPolarHBondContact O-CD 3.5Å; N257-K261 WeakPolarHBondContact O-CG 3.31Å; N257-K261 PolarHBondContact O-N 3.05Å; N257-K261 VanDerWaalsContact O-N 3.09Å; N257-K261 PolarHBondContact OD1-NZ 3Å
258	A	87.7	Confident	85	Confident	63 Å²	63	66.6 Å²	66.6	52%	0.521	35%	0.35	S	S	.	.	H	α-helix	trans	-72.4	-31.9	178.5	0	0	0	0	0	112.7	T254 E255 L256 N262	T254-A258 WeakPolarHBondContact O-CB 3.23Å; T254-A258 PolarHBondContact O-N 2.93Å; E255-A258 PolarHBondContact O-N 3.2Å; L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 2.88Å; A258-N262 WeakPolarHBondContact O-CB 3.23Å
259	V	85.5	Confident	83.6	Confident	16 Å²	16	67.9 Å²	67.9	10%	0.097	36%	0.355	C	S	.	.	H	α-helix	trans	-67.3	-40.6	172	166	0	0	0	0	111.3	E255 L256 L265 I270 Q273	E255-V259 WeakPolarHBondContact O-CG2 3.26Å; E255-V259 PolarHBondContact O-N 2.93Å; L256-V259 PolarHBondContact O-N 3.09Å; V259-L265 HydrophobicContact CG1-CD1 4.29Å; V259-I270 HydrophobicContact CG1-CG2 4.18Å; V259-Q273 HydrophobicContact CB-CB 4.4Å; V259-Q273 HydrophobicContact CG1-CB 3.57Å; V259-Q273 HydrophobicContact CG1-CG 4.45Å; V259-Q273 HydrophobicContact CG2-CB 3.83Å
260	E	82	Confident	82.4	Confident	55 Å²	55	69 Å²	69	26%	0.257	36%	0.361	S	S	.	.	H	α-helix	trans	-76.4	-33	-177.2	-68.5	-176.1	162.1	0	0	113.7	L256 N257 N262 K380	L256-E260 WeakPolarHBondContact O-CG 3.42Å; L256-E260 PolarHBondContact O-N 3.41Å; N257-E260 PolarHBondContact O-N 2.91Å; E260-N262 PolarHBondContact O-N 2.88Å; E260-K380 VanDerWaalsContact CD-CE 3.41Å; E260-K380 VanDerWaalsContact CD-NZ 3.33Å; E260-K380 VanDerWaalsContact OE1-CE 3.26Å; E260-K380 WeakPolarHBondContact OE1-CE 3.2Å; E260-K380 IonicContact OE1-NZ 2.66Å; E260-K380 PolarHBondContact OE1-NZ 3Å; E260-K380 WeakPolarHBondContact OE2-CE 3.41Å; E260-K380 IonicContact OE2-NZ 3.47Å; E260-K380 PolarHBondContact OE2-NZ 2.85Å
261	K	84.6	Confident	81.4	Confident	153 Å²	153	66.3 Å²	66.3	67%	0.665	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	14.7	176	-69.3	166	178.5	155.6	0	113.6	N257	N257-K261 WeakPolarHBondContact O-CB 3.28Å; N257-K261 WeakPolarHBondContact O-CD 3.5Å; N257-K261 WeakPolarHBondContact O-CG 3.31Å; N257-K261 PolarHBondContact O-N 3.05Å; N257-K261 VanDerWaalsContact O-N 3.09Å; N257-K261 PolarHBondContact OD1-NZ 3Å
262	N	82.6	Confident	80.3	Confident	63 Å²	63	65.8 Å²	65.8	34%	0.337	35%	0.348	S	S	.	.			trans	-107.8	86.3	-172.7	-169.8	-14.5	0	0	0	112.5	A258 E260 S264 L265	A258-N262 WeakPolarHBondContact O-CB 3.23Å; E260-N262 PolarHBondContact O-N 2.88Å; N262-S264 PolarHBondContact O-N 2.87Å; N262-S264 VanDerWaalsContact OD1-CB 3.32Å; N262-S264 WeakPolarHBondContact OD1-CB 3.49Å; N262-S264 PolarHBondContact OD1-N 3.13Å; N262-S264 PolarHBondContact OD1-OG 2.84Å; N262-L265 HydrophobicContact CB-CD1 4.12Å; N262-L265 HydrophobicContact CB-CG 4.12Å; N262-L265 WeakPolarHBondContact O-CB 3.44Å; N262-L265 PolarHBondContact O-N 2.91Å
263	D	81.1	Confident	79.5	Confident	151 Å²	151	68.7 Å²	68.7	81%	0.807	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-16.5	178.5	-54.8	-40.9	0	0	0	114.2	L265 K451	D263-L265 VanDerWaalsContact C-N 3.27Å; D263-L265 PolarHBondContact O-N 3.15Å; D263-K451 PolarHBondContact O-NZ 2.73Å
264	S	80.5	Confident	79	Confident	52 Å²	52	67.8 Å²	67.8	36%	0.364	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.9	174.6	82.5	0	0	0	0	112.9	N262 K451	N262-S264 PolarHBondContact O-N 2.87Å; N262-S264 VanDerWaalsContact OD1-CB 3.32Å; N262-S264 WeakPolarHBondContact OD1-CB 3.49Å; N262-S264 PolarHBondContact OD1-N 3.13Å; N262-S264 PolarHBondContact OD1-OG 2.84Å; S264-K451 WeakPolarHBondContact O-CD 3.35Å; S264-K451 PolarHBondContact O-NZ 2.72Å
265	L	77.3	Confident	78.2	Confident	25 Å²	25	66.4 Å²	66.4	13%	0.131	34%	0.344	C	S	.	.	S	Bend	trans	-80.9	162.3	177.3	-56.6	-175.8	0	0	0	112.2	V259 N262 D263 Q269 I270 Q273 K451	V259-L265 HydrophobicContact CG1-CD1 4.29Å; N262-L265 HydrophobicContact CB-CD1 4.12Å; N262-L265 HydrophobicContact CB-CG 4.12Å; N262-L265 WeakPolarHBondContact O-CB 3.44Å; N262-L265 PolarHBondContact O-N 2.91Å; D263-L265 VanDerWaalsContact C-N 3.27Å; D263-L265 PolarHBondContact O-N 3.15Å; L265-Q269 HydrophobicContact CB-CB 4.07Å; L265-Q269 HydrophobicContact CD2-CB 4.18Å; L265-I270 HydrophobicContact CB-CD1 4.38Å; L265-I270 HydrophobicContact CB-CG1 3.74Å; L265-I270 HydrophobicContact CD1-CG1 4.01Å; L265-Q273 HydrophobicContact CD1-CG 4.29Å; L265-K451 PolarHBondContact O-NZ 2.94Å
266	S	73.7	Confident	77.4	Confident	41 Å²	41	65.7 Å²	65.7	29%	0.287	35%	0.345	S	S	.	.			trans	-100.7	161.4	162.7	59.5	0	0	0	0	109.6	R268 Q269 I270	S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 3.37Å; S266-R268 VanDerWaalsContact O-N 3.17Å; S266-Q269 CarbonylContact O-C 3.51Å; S266-Q269 WeakPolarHBondContact O-CA 3.43Å; S266-Q269 WeakPolarHBondContact O-CB 3.28Å; S266-Q269 PolarHBondContact O-N 3.47Å; S266-Q269 WeakPolarHBondContact OG-CG 3.17Å; S266-Q269 PolarHBondContact OG-OE1 3.48Å; S266-I270 PolarHBondContact O-N 3.29Å
267	P	73.2	Confident	77.2	Confident	106 Å²	106	65.9 Å²	65.9	69%	0.688	35%	0.347	S	S	*	.	H	α-helix	trans	-51.9	-41.8	179	-29.7	36.4	0	0	0	113.5	Q269 I270 T271	P267-Q269 VanDerWaalsContact C-N 3.32Å; P267-Q269 PolarHBondContact O-N 2.78Å; P267-I270 WeakPolarHBondContact O-CB 3.44Å; P267-I270 PolarHBondContact O-N 3.17Å; P267-I270 VanDerWaalsContact O-N 3.13Å; P267-T271 PolarHBondContact O-N 3.38Å; P267-T271 PolarHBondContact O-OG1 3.11Å; P267-T271 VanDerWaalsContact O-OG1 3.08Å
268	R	65.3	Low	77	Confident	173 Å²	173	64.8 Å²	64.8	65%	0.653	34%	0.342	S	S	*	.	H	α-helix	trans	-67.4	-27	176.1	-168.5	175.6	-179.6	-170	-1	113.6	S266 W272 D548	S266-R268 VanDerWaalsContact C-N 3.26Å; S266-R268 PolarHBondContact O-N 3.37Å; S266-R268 VanDerWaalsContact O-N 3.17Å; R268-W272 WeakPolarHBondContact O-CB 3.38Å; R268-W272 PolarHBondContact O-N 3.43Å; R268-D548 IonicContact CZ-OD2 2.72Å; R268-D548 IonicContact NH1-OD1 2.76Å; R268-D548 IonicContact NH1-OD2 2.7Å; R268-D548 PolarHBondContact NH1-OD2 3.44Å; R268-D548 IonicContact NH2-OD2 3.42Å; R268-D548 PolarHBondContact NH2-OD2 3.3Å
269	Q	63.7	Low	76.3	Confident	42 Å²	42	64.9 Å²	64.9	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-76.5	-37.1	169.6	-71.8	165	-83.3	0	0	111.8	L265 S266 P267 W272 Q273	L265-Q269 HydrophobicContact CB-CB 4.07Å; L265-Q269 HydrophobicContact CD2-CB 4.18Å; S266-Q269 CarbonylContact O-C 3.51Å; S266-Q269 WeakPolarHBondContact O-CA 3.43Å; S266-Q269 WeakPolarHBondContact O-CB 3.28Å; S266-Q269 PolarHBondContact O-N 3.47Å; S266-Q269 WeakPolarHBondContact OG-CG 3.17Å; S266-Q269 PolarHBondContact OG-OE1 3.48Å; P267-Q269 VanDerWaalsContact C-N 3.32Å; P267-Q269 PolarHBondContact O-N 2.78Å; Q269-W272 PolarHBondContact O-N 3.39Å; Q269-Q273 WeakPolarHBondContact O-CB 3.49Å; Q269-Q273 VanDerWaalsContact O-CG 3.24Å; Q269-Q273 WeakPolarHBondContact O-CG 3.47Å; Q269-Q273 PolarHBondContact O-N 3.24Å
270	I	69.3	Low	76.1	Confident	46 Å²	46	68.9 Å²	68.9	24%	0.236	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-50.8	174.6	-66.4	171.9	0	0	0	109.6	V259 L265 S266 P267 W272 Q273 H274	V259-I270 HydrophobicContact CG1-CG2 4.18Å; L265-I270 HydrophobicContact CB-CD1 4.38Å; L265-I270 HydrophobicContact CB-CG1 3.74Å; L265-I270 HydrophobicContact CD1-CG1 4.01Å; S266-I270 PolarHBondContact O-N 3.29Å; P267-I270 WeakPolarHBondContact O-CB 3.44Å; P267-I270 PolarHBondContact O-N 3.17Å; P267-I270 VanDerWaalsContact O-N 3.13Å; I270-W272 PolarHBondContact O-N 2.85Å; I270-Q273 PolarHBondContact O-N 2.65Å; I270-H274 WeakPolarHBondContact O-CB 3.49Å; I270-H274 PolarHBondContact O-N 3.48Å
271	T	69.4	Low	76.5	Confident	79 Å²	79	66.3 Å²	66.3	49%	0.485	34%	0.336	S	S	.	.	H	α-helix	trans	-53.4	-51.3	175.3	-51.6	0	0	0	0	111.7	P267 Q273 H274 E275	P267-T271 PolarHBondContact O-N 3.38Å; P267-T271 PolarHBondContact O-OG1 3.11Å; P267-T271 VanDerWaalsContact O-OG1 3.08Å; T271-Q273 PolarHBondContact O-N 2.93Å; T271-H274 WeakPolarHBondContact O-CA 3.42Å; T271-H274 VanDerWaalsContact O-CB 3.32Å; T271-H274 WeakPolarHBondContact O-CB 3.1Å; T271-H274 PolarHBondContact O-N 3.1Å; T271-H274 VanDerWaalsContact O-N 3.11Å; T271-E275 WeakPolarHBondContact O-CG 3.38Å; T271-E275 PolarHBondContact O-N 3.4Å
272	W	70.3	Confident	76.6	Confident	78 Å²	78	60.8 Å²	60.8	30%	0.295	31%	0.312	S	S	.	.	H	α-helix	trans	-64.8	-36.1	-179.1	-176.6	87.3	0	0	0	113.7	R268 Q269 I270 E275 S276 K458	R268-W272 WeakPolarHBondContact O-CB 3.38Å; R268-W272 PolarHBondContact O-N 3.43Å; Q269-W272 PolarHBondContact O-N 3.39Å; I270-W272 PolarHBondContact O-N 2.85Å; W272-E275 WeakPolarHBondContact CA-OE2 3.32Å; W272-S276 WeakPolarHBondContact O-CB 3.4Å; W272-S276 PolarHBondContact O-N 2.91Å; W272-K458 HydrophobicContact CD2-CD 4.2Å; W272-K458 VanDerWaalsContact CD2-CE 3.49Å; W272-K458 HydrophobicContact CH2-CD 4.21Å; W272-K458 HydrophobicContact CH2-CG 4.43Å; W272-K458 HydrophobicContact CZ2-CD 3.74Å; W272-K458 HydrophobicContact CZ2-CG 4.15Å
273	Q	75	Confident	76.4	Confident	67 Å²	67	64 Å²	64	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-68.2	-39.4	173.5	-70.6	-70.9	27.1	0	0	110.8	V259 L265 Q269 I270 T271 E275 S276 V277	V259-Q273 HydrophobicContact CB-CB 4.4Å; V259-Q273 HydrophobicContact CG1-CB 3.57Å; V259-Q273 HydrophobicContact CG1-CG 4.45Å; V259-Q273 HydrophobicContact CG2-CB 3.83Å; L265-Q273 HydrophobicContact CD1-CG 4.29Å; Q269-Q273 WeakPolarHBondContact O-CB 3.49Å; Q269-Q273 VanDerWaalsContact O-CG 3.24Å; Q269-Q273 WeakPolarHBondContact O-CG 3.47Å; Q269-Q273 PolarHBondContact O-N 3.24Å; I270-Q273 PolarHBondContact O-N 2.65Å; T271-Q273 PolarHBondContact O-N 2.93Å; Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 2.88Å; Q273-S276 WeakPolarHBondContact O-CB 3.43Å; Q273-S276 PolarHBondContact O-N 3.32Å; Q273-V277 WeakPolarHBondContact O-CB 3.46Å; Q273-V277 VanDerWaalsContact O-CG2 3.27Å; Q273-V277 WeakPolarHBondContact O-CG2 3.37Å; Q273-V277 PolarHBondContact O-N 3.22Å
274	H	82.2	Confident	76.7	Confident	27 Å²	27	58.7 Å²	58.7	13%	0.125	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-40.6	175.7	-162.2	-73.9	0	0	0	111.7	I270 T271 S278 Y369 Y373	I270-H274 WeakPolarHBondContact O-CB 3.49Å; I270-H274 PolarHBondContact O-N 3.48Å; T271-H274 WeakPolarHBondContact O-CA 3.42Å; T271-H274 VanDerWaalsContact O-CB 3.32Å; T271-H274 WeakPolarHBondContact O-CB 3.1Å; T271-H274 PolarHBondContact O-N 3.1Å; T271-H274 VanDerWaalsContact O-N 3.11Å; H274-S278 WeakPolarHBondContact O-CB 3.39Å; H274-S278 PolarHBondContact O-N 3.43Å; H274-Y369 PolarHBondContact CE1-OH 3.06Å; H274-Y369 PolarHBondContact ND1-OH 2.88Å; H274-Y369 PolarHBondContact O-OH 3.36Å; H274-Y373 AromaticContact CE1-CD2 3.35Å; H274-Y373 WeakPolarHBondContact CE1-CD2 3.19Å; H274-Y373 AromaticContact CE1-CE2 3.33Å; H274-Y373 WeakPolarHBondContact CE1-CE2 3.19Å; H274-Y373 AromaticContact NE2-CD2 3.42Å; H274-Y373 WeakPolarHBondContact NE2-CD2 3.39Å; H274-Y373 AromaticContact NE2-CE2 3.27Å; H274-Y373 VanDerWaalsContact NE2-CE2 3.27Å; H274-Y373 WeakPolarHBondContact NE2-CE2 3.46Å
275	E	71.6	Confident	77.3	Confident	60 Å²	60	56.2 Å²	56.2	28%	0.28	28%	0.277	S	S	.	.	H	α-helix	trans	-66.1	-43.4	172.2	-69.5	166.7	135.3	0	0	112.1	T271 W272 Q273 V277 S278 M279 L785	T271-E275 WeakPolarHBondContact O-CG 3.38Å; T271-E275 PolarHBondContact O-N 3.4Å; W272-E275 WeakPolarHBondContact CA-OE2 3.32Å; Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 2.88Å; E275-V277 PolarHBondContact O-N 3.35Å; E275-S278 WeakPolarHBondContact O-CB 3.26Å; E275-S278 PolarHBondContact O-N 2.83Å; E275-M279 WeakPolarHBondContact O-CG 3.47Å; E275-M279 PolarHBondContact O-N 3.48Å; E275-L785 HydrophobicContact CB-CD1 4.21Å
276	S	74	Confident	77.7	Confident	48 Å²	48	55.8 Å²	55.8	34%	0.336	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-45.6	175.3	-178	0	0	0	0	112	W272 Q273 M279 K280	W272-S276 WeakPolarHBondContact O-CB 3.4Å; W272-S276 PolarHBondContact O-N 2.91Å; Q273-S276 WeakPolarHBondContact O-CB 3.43Å; Q273-S276 PolarHBondContact O-N 3.32Å; S276-M279 PolarHBondContact O-N 3.21Å; S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 PolarHBondContact O-N 3Å
277	V	84.8	Confident	78.3	Confident	4 Å²	4	60.3 Å²	60.3	2%	0.024	29%	0.287	C	S	.	.	H	α-helix	trans	-67.2	-38.2	176.2	175.2	0	0	0	0	111.2	T252 E255 L256 Q273 E275 M279 K280 F281	T252-V277 HydrophobicContact CG2-CG1 3.77Å; E255-V277 HydrophobicContact CB-CG1 4.31Å; E255-V277 HydrophobicContact CG-CG1 4.26Å; E255-V277 HydrophobicContact CG-CG2 3.74Å; L256-V277 HydrophobicContact CD2-CB 3.79Å; L256-V277 HydrophobicContact CD2-CG1 3.52Å; L256-V277 HydrophobicContact CD2-CG2 4.49Å; L256-V277 HydrophobicContact CG-CG1 3.83Å; Q273-V277 WeakPolarHBondContact O-CB 3.46Å; Q273-V277 VanDerWaalsContact O-CG2 3.27Å; Q273-V277 WeakPolarHBondContact O-CG2 3.37Å; Q273-V277 PolarHBondContact O-N 3.22Å; E275-V277 PolarHBondContact O-N 3.35Å; V277-M279 PolarHBondContact O-N 3.04Å; V277-K280 PolarHBondContact O-N 3.03Å; V277-F281 WeakPolarHBondContact O-CB 3.48Å; V277-F281 PolarHBondContact O-N 3.4Å
278	S	83.2	Confident	79.1	Confident	11 Å²	11	56.2 Å²	56.2	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-48.5	171.7	-167.3	0	0	0	0	112	H274 E275 F281 K282 Y369	H274-S278 WeakPolarHBondContact O-CB 3.39Å; H274-S278 PolarHBondContact O-N 3.43Å; E275-S278 WeakPolarHBondContact O-CB 3.26Å; E275-S278 PolarHBondContact O-N 2.83Å; S278-F281 PolarHBondContact O-N 2.84Å; S278-K282 WeakPolarHBondContact O-CB 3.36Å; S278-K282 WeakPolarHBondContact O-CD 3.44Å; S278-K282 VanDerWaalsContact O-CG 3.24Å; S278-K282 WeakPolarHBondContact O-CG 3.34Å; S278-K282 PolarHBondContact O-N 2.81Å; S278-K282 WeakPolarHBondContact OG-CE 3.34Å; S278-K282 PolarHBondContact OG-NZ 2.88Å; S278-Y369 WeakPolarHBondContact CB-OH 3.27Å; S278-Y369 VanDerWaalsContact OG-CD1 3.31Å; S278-Y369 WeakPolarHBondContact OG-CD1 3.48Å; S278-Y369 WeakPolarHBondContact OG-CE1 3.33Å; S278-Y369 VanDerWaalsContact OG-CZ 3.22Å
279	M	72.3	Confident	80.4	Confident	66 Å²	66	48 Å²	48	33%	0.325	23%	0.228	S	C	.	.	H	α-helix	trans	-66.3	-37.9	179.2	-70.3	-66.5	-78.6	0	0	112.4	E275 S276 V277 K283 L785 K786	E275-M279 WeakPolarHBondContact O-CG 3.47Å; E275-M279 PolarHBondContact O-N 3.48Å; S276-M279 PolarHBondContact O-N 3.21Å; V277-M279 PolarHBondContact O-N 3.04Å; M279-K283 WeakPolarHBondContact O-CB 3.46Å; M279-K283 PolarHBondContact O-N 2.73Å; M279-L785 HydrophobicContact CE-CB 4.48Å; M279-L785 HydrophobicContact CG-CD1 4.44Å; M279-K786 HydrophobicContact CE-CG 3.74Å
280	K	81.2	Confident	81.4	Confident	100 Å²	100	49 Å²	49	44%	0.435	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-49.7	173.7	-176.7	-168.7	-179.2	-165	0	111.5	E255 S276 V277 N284	E255-K280 IonicContact OE1-NZ 2.68Å; E255-K280 PolarHBondContact OE1-NZ 3.29Å; E255-K280 IonicContact OE2-NZ 3.13Å; E255-K280 PolarHBondContact OE2-NZ 3.07Å; S276-K280 WeakPolarHBondContact O-CB 3.47Å; S276-K280 PolarHBondContact O-N 3Å; V277-K280 PolarHBondContact O-N 3.03Å; K280-N284 PolarHBondContact O-N 3.17Å; K280-N284 VanDerWaalsContact O-N 3.13Å
281	F	91.5	Very high	82.2	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-51.7	175.3	175	-101.3	0	0	0	111.2	L248 M249 T252 V277 S278 K283 N284 A285 L368 Y369 L372	L248-F281 HydrophobicContact CD1-CD2 4.44Å; L248-F281 HydrophobicContact CD2-CD2 4.01Å; L248-F281 HydrophobicContact CD2-CE2 3.94Å; L248-F281 HydrophobicContact CG-CD2 3.76Å; L248-F281 HydrophobicContact CG-CE2 3.8Å; M249-F281 HydrophobicContact CG-CE2 3.77Å; M249-F281 HydrophobicContact CG-CZ 3.86Å; T252-F281 HydrophobicContact CG2-CB 3.88Å; T252-F281 HydrophobicContact CG2-CD2 4.02Å; T252-F281 HydrophobicContact CG2-CG 4.11Å; T252-F281 VanDerWaalsContact OG1-CD2 3.26Å; T252-F281 WeakPolarHBondContact OG1-CD2 3.31Å; V277-F281 WeakPolarHBondContact O-CB 3.48Å; V277-F281 PolarHBondContact O-N 3.4Å; S278-F281 PolarHBondContact O-N 2.84Å; F281-K283 PolarHBondContact O-N 3.32Å; F281-N284 PolarHBondContact O-N 3.04Å; F281-A285 HydrophobicContact CE1-CB 4.34Å; F281-A285 HydrophobicContact CZ-CB 4.34Å; F281-A285 WeakPolarHBondContact O-CB 3.4Å; F281-A285 PolarHBondContact O-N 2.67Å; F281-L368 HydrophobicContact CE1-CB 3.82Å; F281-L368 HydrophobicContact CZ-CB 3.72Å; F281-L368 HydrophobicContact CZ-CD1 4.29Å; F281-Y369 HydrophobicContact CB-CD2 4.34Å; F281-Y369 AromaticContact CD1-CD2 3.66Å; F281-Y369 HydrophobicContact CD1-CD2 3.66Å; F281-Y369 HydrophobicContact CD1-CG 4.21Å; F281-Y369 HydrophobicContact CE1-CD2 4.32Å; F281-Y369 HydrophobicContact CG-CD2 4.18Å; F281-L372 HydrophobicContact CD1-CD1 4.39Å; F281-L372 HydrophobicContact CD2-CD1 3.99Å; F281-L372 HydrophobicContact CE1-CD1 4.15Å; F281-L372 HydrophobicContact CE2-CD1 3.72Å; F281-L372 HydrophobicContact CG-CD1 4.31Å; F281-L372 HydrophobicContact CZ-CD1 3.8Å
282	K	85.6	Confident	83.2	Confident	37 Å²	37	46.3 Å²	46.3	16%	0.161	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-44.3	-178.1	-69.6	165.8	-174	179.2	0	112.2	S278 N284 A285 C286 A365 E366	S278-K282 WeakPolarHBondContact O-CB 3.36Å; S278-K282 WeakPolarHBondContact O-CD 3.44Å; S278-K282 VanDerWaalsContact O-CG 3.24Å; S278-K282 WeakPolarHBondContact O-CG 3.34Å; S278-K282 PolarHBondContact O-N 2.81Å; S278-K282 WeakPolarHBondContact OG-CE 3.34Å; S278-K282 PolarHBondContact OG-NZ 2.88Å; K282-N284 VanDerWaalsContact C-N 3.32Å; K282-N284 PolarHBondContact O-N 3.47Å; K282-A285 PolarHBondContact O-N 2.7Å; K282-C286 WeakPolarHBondContact O-CB 3.43Å; K282-C286 PolarHBondContact O-N 2.93Å; K282-C286 PolarHBondContact O-SG 3.13Å; K282-A365 HydrophobicContact CB-CB 4.32Å; K282-A365 HydrophobicContact CG-CB 4.21Å; K282-E366 VanDerWaalsContact CE-OE1 3.26Å; K282-E366 WeakPolarHBondContact CE-OE1 3.24Å; K282-E366 VanDerWaalsContact CE-OE2 3.23Å; K282-E366 WeakPolarHBondContact CE-OE2 3.29Å; K282-E366 IonicContact NZ-OE1 2.73Å; K282-E366 PolarHBondContact NZ-OE1 2.93Å; K282-E366 IonicContact NZ-OE2 3.23Å; K282-E366 PolarHBondContact NZ-OE2 2.89Å
283	K	80.4	Confident	84	Confident	129 Å²	129	43 Å²	43	56%	0.561	20%	0.201	S	C	*	.	H	α-helix	trans	-59.8	-40.9	175.7	-170	175.1	-175	177.7	0	111.8	M279 F281 R287 E789	M279-K283 WeakPolarHBondContact O-CB 3.46Å; M279-K283 PolarHBondContact O-N 2.73Å; F281-K283 PolarHBondContact O-N 3.32Å; K283-R287 PolarHBondContact O-N 2.86Å; K283-E789 IonicContact NZ-OE1 2.96Å; K283-E789 PolarHBondContact NZ-OE1 2.84Å
284	N	87.4	Confident	84.3	Confident	40 Å²	40	43 Å²	43	21%	0.214	20%	0.2	C	C	.	.	H	α-helix	trans	-71.4	-46.6	177.7	-77	-20.5	0	0	0	112.5	L248 K280 F281 K282 C286 R287 E288	L248-N284 HydrophobicContact CD1-CB 3.72Å; L248-N284 HydrophobicContact CD2-CB 3.67Å; L248-N284 HydrophobicContact CG-CB 4.36Å; K280-N284 PolarHBondContact O-N 3.17Å; K280-N284 VanDerWaalsContact O-N 3.13Å; F281-N284 PolarHBondContact O-N 3.04Å; K282-N284 VanDerWaalsContact C-N 3.32Å; K282-N284 PolarHBondContact O-N 3.47Å; N284-C286 PolarHBondContact O-N 2.96Å; N284-R287 WeakPolarHBondContact O-CB 3.39Å; N284-R287 PolarHBondContact O-N 3.26Å; N284-R287 VanDerWaalsContact O-N 3.08Å; N284-R287 PolarHBondContact OD1-NH1 3.15Å; N284-R287 VanDerWaalsContact OD1-NH1 3.14Å; N284-E288 PolarHBondContact O-N 3.37Å; N284-E288 VanDerWaalsContact O-N 3.08Å
285	A	91.1	Very high	84.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-45.5	179.6	0	0	0	0	0	111.4	L245 L248 F281 K282 R287 E288 M289 A365	L245-A285 HydrophobicContact CD2-CB 4.34Å; L248-A285 HydrophobicContact CD2-CB 3.99Å; F281-A285 HydrophobicContact CE1-CB 4.34Å; F281-A285 HydrophobicContact CZ-CB 4.34Å; F281-A285 WeakPolarHBondContact O-CB 3.4Å; F281-A285 PolarHBondContact O-N 2.67Å; K282-A285 PolarHBondContact O-N 2.7Å; A285-R287 VanDerWaalsContact C-N 3.28Å; A285-R287 PolarHBondContact O-N 2.96Å; A285-E288 PolarHBondContact O-N 3.34Å; A285-M289 HydrophobicContact CB-CE 4.33Å; A285-M289 VanDerWaalsContact O-CG 3.31Å; A285-M289 WeakPolarHBondContact O-CG 3.48Å; A285-M289 PolarHBondContact O-N 3.45Å; A285-A365 HydrophobicContact CB-CB 3.82Å
286	C	85.8	Confident	85.3	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.108	20%	0.196	C	C	.	.	H	α-helix	trans	-57.7	-38.5	173.7	-68.8	0	0	0	0	112.9	K282 N284 R290 E361	K282-C286 WeakPolarHBondContact O-CB 3.43Å; K282-C286 PolarHBondContact O-N 2.93Å; K282-C286 PolarHBondContact O-SG 3.13Å; N284-C286 PolarHBondContact O-N 2.96Å; C286-R290 VanDerWaalsContact O-CB 3.24Å; C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 PolarHBondContact O-N 2.85Å; C286-E361 HydrophobicContact CB-CB 4.15Å; C286-E361 PolarHBondContact SG-O 3.34Å; C286-E361 VanDerWaalsContact SG-O 3.41Å
287	R	86.1	Confident	85.8	Confident	136 Å²	136	39.6 Å²	39.6	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-65.4	-45.1	178	-174.1	-172.4	67	-138.7	-7.7	111.6	K283 N284 A285 R290 N291	K283-R287 PolarHBondContact O-N 2.86Å; N284-R287 WeakPolarHBondContact O-CB 3.39Å; N284-R287 PolarHBondContact O-N 3.26Å; N284-R287 VanDerWaalsContact O-N 3.08Å; N284-R287 PolarHBondContact OD1-NH1 3.15Å; N284-R287 VanDerWaalsContact OD1-NH1 3.14Å; A285-R287 VanDerWaalsContact C-N 3.28Å; A285-R287 PolarHBondContact O-N 2.96Å; R287-R290 PolarHBondContact O-N 3.41Å; R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.93Å
288	E	91.4	Very high	85.5	Confident	20 Å²	20	42 Å²	42	9%	0.093	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-39.9	-180	-56.4	-46	135	0	0	112.1	L241 R244 L245 N284 A285 N291 F292	L241-E288 HydrophobicContact CD1-CB 4.37Å; R244-E288 WeakPolarHBondContact CD-OE2 3.48Å; R244-E288 IonicContact CZ-OE2 3.67Å; R244-E288 IonicContact NE-OE2 2.83Å; R244-E288 IonicContact NH1-OE2 3.91Å; R244-E288 PolarHBondContact NH1-OE2 2.99Å; L245-E288 HydrophobicContact CD2-CB 4.42Å; N284-E288 PolarHBondContact O-N 3.37Å; N284-E288 VanDerWaalsContact O-N 3.08Å; A285-E288 PolarHBondContact O-N 3.34Å; E288-N291 PolarHBondContact O-N 3.25Å; E288-F292 PolarHBondContact O-N 2.83Å
289	M	92	Very high	85.4	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-45.5	172.1	-67.4	176.9	-165.6	0	0	111.8	L245 A285 F292 I293 L322 I326 E361 L364 A365 L368	L245-M289 HydrophobicContact CD2-CE 4.46Å; A285-M289 HydrophobicContact CB-CE 4.33Å; A285-M289 VanDerWaalsContact O-CG 3.31Å; A285-M289 WeakPolarHBondContact O-CG 3.48Å; A285-M289 PolarHBondContact O-N 3.45Å; M289-F292 WeakPolarHBondContact O-CB 3.46Å; M289-F292 PolarHBondContact O-N 2.85Å; M289-I293 VanDerWaalsContact O-CG1 3.3Å; M289-I293 WeakPolarHBondContact O-CG1 3.45Å; M289-I293 PolarHBondContact O-N 2.96Å; M289-L322 HydrophobicContact CB-CD1 4.42Å; M289-L322 HydrophobicContact CB-CD2 4.3Å; M289-L322 HydrophobicContact CG-CD1 4.13Å; M289-I326 HydrophobicContact CE-CD1 3.79Å; M289-I326 HydrophobicContact CE-CG1 4.29Å; M289-E361 HydrophobicContact CB-CB 4.24Å; M289-E361 HydrophobicContact CB-CG 4.05Å; M289-E361 HydrophobicContact SD-CB 4.08Å; M289-L364 HydrophobicContact CE-CB 3.82Å; M289-L364 HydrophobicContact SD-CB 3.68Å; M289-L364 HydrophobicContact SD-CD1 4.24Å; M289-A365 HydrophobicContact CE-CB 4.46Å; M289-L368 HydrophobicContact CE-CD1 3.42Å; M289-L368 VanDerWaalsContact CE-CD1 3.42Å; M289-L368 HydrophobicContact CE-CG 4.32Å
290	R	84.5	Confident	86	Confident	65 Å²	65	40.5 Å²	40.5	25%	0.245	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-41.3	179.4	-171.2	168.8	-59.8	145	8.5	112.6	C286 R287 F292 I293 Q294 R357 E361	C286-R290 VanDerWaalsContact O-CB 3.24Å; C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 PolarHBondContact O-N 2.85Å; R287-R290 PolarHBondContact O-N 3.41Å; R290-F292 VanDerWaalsContact C-N 3.34Å; R290-I293 PolarHBondContact O-N 3.49Å; R290-Q294 WeakPolarHBondContact O-CB 3.24Å; R290-Q294 VanDerWaalsContact O-CG 3.27Å; R290-Q294 WeakPolarHBondContact O-CG 3.28Å; R290-Q294 PolarHBondContact O-N 2.86Å; R290-R357 PolarHBondContact NH2-O 2.97Å; R290-R357 VanDerWaalsContact NH2-O 3.13Å; R290-E361 IonicContact CZ-OE1 3.95Å; R290-E361 VanDerWaalsContact CZ-OE1 3.27Å; R290-E361 IonicContact NE-OE1 2.75Å; R290-E361 PolarHBondContact NE-OE1 3.43Å; R290-E361 IonicContact NH2-OE1 3.49Å; R290-E361 PolarHBondContact NH2-OE1 3.33Å
291	N	85.4	Confident	85.8	Confident	58 Å²	58	38 Å²	38	31%	0.31	18%	0.179	S	C	.	.	H	α-helix	trans	-61.1	-43.2	174.5	-168.1	7.2	0	0	0	111.2	R287 E288 Q294 I295	R287-N291 WeakPolarHBondContact O-CB 3.45Å; R287-N291 PolarHBondContact O-N 2.93Å; E288-N291 PolarHBondContact O-N 3.25Å; N291-Q294 PolarHBondContact O-N 3.43Å; N291-I295 VanDerWaalsContact O-CG1 3.28Å; N291-I295 WeakPolarHBondContact O-CG1 3.48Å; N291-I295 PolarHBondContact O-N 3.23Å; N291-I295 VanDerWaalsContact OD1-CD1 3.28Å; N291-I295 WeakPolarHBondContact OD1-CD1 3.3Å
292	F	91.5	Very high	85	Confident	10 Å²	10	45.9 Å²	45.9	4%	0.044	21%	0.213	C	C	.	.	H	α-helix	trans	-62.7	-47.7	173.3	172.1	-96.6	0	0	0	112.8	Q237 I238 L241 E288 M289 R290 Q294 I295 L296 T321 L322	Q237-F292 HydrophobicContact CB-CD2 4.29Å; Q237-F292 HydrophobicContact CB-CE2 4.11Å; I238-F292 HydrophobicContact CG1-CE2 3.92Å; I238-F292 HydrophobicContact CG1-CZ 3.98Å; L241-F292 HydrophobicContact CB-CB 4.37Å; L241-F292 HydrophobicContact CB-CD2 3.82Å; L241-F292 HydrophobicContact CB-CE2 4.35Å; L241-F292 HydrophobicContact CB-CG 4.16Å; L241-F292 HydrophobicContact CD1-CB 4Å; L241-F292 HydrophobicContact CD1-CG 4.44Å; L241-F292 HydrophobicContact CD2-CB 4.13Å; L241-F292 HydrophobicContact CD2-CD1 3.74Å; L241-F292 HydrophobicContact CD2-CD2 4.02Å; L241-F292 HydrophobicContact CD2-CE1 4.07Å; L241-F292 HydrophobicContact CD2-CE2 4.34Å; L241-F292 HydrophobicContact CD2-CG 3.69Å; L241-F292 HydrophobicContact CD2-CZ 4.35Å; L241-F292 HydrophobicContact CG-CB 4.38Å; L241-F292 HydrophobicContact CG-CD2 4.43Å; L241-F292 HydrophobicContact CG-CG 4.3Å; E288-F292 PolarHBondContact O-N 2.83Å; M289-F292 WeakPolarHBondContact O-CB 3.46Å; M289-F292 PolarHBondContact O-N 2.85Å; R290-F292 VanDerWaalsContact C-N 3.34Å; F292-Q294 VanDerWaalsContact C-N 3.31Å; F292-Q294 PolarHBondContact O-N 2.87Å; F292-I295 PolarHBondContact O-N 2.95Å; F292-L296 HydrophobicContact CE1-CD2 3.85Å; F292-L296 HydrophobicContact CE2-CD2 4.38Å; F292-L296 HydrophobicContact CZ-CB 4.47Å; F292-L296 HydrophobicContact CZ-CD2 3.62Å; F292-L296 VanDerWaalsContact O-CB 3.31Å; F292-L296 WeakPolarHBondContact O-CB 3.49Å; F292-L296 PolarHBondContact O-N 3.06Å; F292-T321 HydrophobicContact CZ-CG2 4.03Å; F292-L322 HydrophobicContact CD1-CD1 4.21Å; F292-L322 HydrophobicContact CE1-CB 4.25Å; F292-L322 HydrophobicContact CE1-CD1 4.42Å
293	I	87.3	Confident	84.7	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.046	21%	0.212	C	C	.	.	H	α-helix	trans	-53.5	-49.5	175.9	-72	163.4	0	0	0	110.4	M289 R290 Y297 V318 M319 L322 V352 E361	M289-I293 VanDerWaalsContact O-CG1 3.3Å; M289-I293 WeakPolarHBondContact O-CG1 3.45Å; M289-I293 PolarHBondContact O-N 2.96Å; R290-I293 PolarHBondContact O-N 3.49Å; I293-Y297 WeakPolarHBondContact O-CB 3.31Å; I293-Y297 PolarHBondContact O-N 3.39Å; I293-V318 HydrophobicContact CB-CG1 4.19Å; I293-V318 HydrophobicContact CG1-CG1 4.2Å; I293-V318 HydrophobicContact CG2-CG1 3.96Å; I293-M319 HydrophobicContact CD1-SD 4.14Å; I293-M319 HydrophobicContact CG1-SD 4.39Å; I293-L322 HydrophobicContact CD1-CD2 3.69Å; I293-L322 HydrophobicContact CG1-CD2 3.89Å; I293-V352 HydrophobicContact CG2-CG1 3.42Å; I293-V352 VanDerWaalsContact CG2-CG1 3.42Å; I293-E361 HydrophobicContact CD1-CG 3.91Å
294	Q	80.8	Confident	84.6	Confident	65 Å²	65	41.3 Å²	41.3	30%	0.304	19%	0.193	S	C	.	.	H	α-helix	trans	-63.8	-45.1	-178.2	-71.5	174.9	-17.1	0	0	112.4	R290 N291 F292 V298 T353	R290-Q294 WeakPolarHBondContact O-CB 3.24Å; R290-Q294 VanDerWaalsContact O-CG 3.27Å; R290-Q294 WeakPolarHBondContact O-CG 3.28Å; R290-Q294 PolarHBondContact O-N 2.86Å; N291-Q294 PolarHBondContact O-N 3.43Å; F292-Q294 VanDerWaalsContact C-N 3.31Å; F292-Q294 PolarHBondContact O-N 2.87Å; Q294-V298 WeakPolarHBondContact O-CG2 3.47Å; Q294-V298 PolarHBondContact O-N 2.9Å; Q294-T353 HydrophobicContact CG-CG2 4.03Å
295	I	85.3	Confident	83.7	Confident	63 Å²	63	45 Å²	45	32%	0.323	21%	0.21	S	C	.	.	H	α-helix	trans	-69.3	-45.5	179.9	-65.3	169.5	0	0	0	111.2	Q237 N291 F292 Y297 V298 T299	Q237-I295 HydrophobicContact CG-CG2 3.93Å; N291-I295 VanDerWaalsContact O-CG1 3.28Å; N291-I295 WeakPolarHBondContact O-CG1 3.48Å; N291-I295 PolarHBondContact O-N 3.23Å; N291-I295 VanDerWaalsContact OD1-CD1 3.28Å; N291-I295 WeakPolarHBondContact OD1-CD1 3.3Å; F292-I295 PolarHBondContact O-N 2.95Å; I295-Y297 VanDerWaalsContact C-N 3.35Å; I295-Y297 PolarHBondContact O-N 3.33Å; I295-V298 PolarHBondContact O-N 2.8Å; I295-T299 PolarHBondContact O-N 3.06Å; I295-T299 PolarHBondContact O-OG1 3.45Å
296	L	88.7	Confident	82.7	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.7	-39.6	-179.7	-176.4	64	0	0	0	111.1	R234 Q237 F292 T299 T300 V318 T321	R234-L296 HydrophobicContact CB-CD1 4.48Å; R234-L296 HydrophobicContact CG-CD1 3.92Å; Q237-L296 VanDerWaalsContact OE1-CA 3.22Å; F292-L296 HydrophobicContact CE1-CD2 3.85Å; F292-L296 HydrophobicContact CE2-CD2 4.38Å; F292-L296 HydrophobicContact CZ-CB 4.47Å; F292-L296 HydrophobicContact CZ-CD2 3.62Å; F292-L296 VanDerWaalsContact O-CB 3.31Å; F292-L296 WeakPolarHBondContact O-CB 3.49Å; F292-L296 PolarHBondContact O-N 3.06Å; L296-T299 PolarHBondContact O-N 2.68Å; L296-T299 PolarHBondContact O-OG1 2.82Å; L296-T300 VanDerWaalsContact O-CB 3.29Å; L296-T300 WeakPolarHBondContact O-CB 3.31Å; L296-T300 PolarHBondContact O-N 2.81Å; L296-T300 PolarHBondContact O-OG1 3.29Å; L296-V318 HydrophobicContact CD2-CB 4.5Å; L296-V318 HydrophobicContact CD2-CG1 4.34Å; L296-V318 HydrophobicContact CD2-CG2 4.3Å; L296-V318 HydrophobicContact CG-CG2 4.16Å; L296-T321 HydrophobicContact CD2-CG2 3.8Å
297	Y	84.6	Confident	82	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-56.2	173.7	-170.2	-78.9	0	0	0	111.1	I293 I295 T299 T300 E301 I314 V318 D347 K349 V352	I293-Y297 WeakPolarHBondContact O-CB 3.31Å; I293-Y297 PolarHBondContact O-N 3.39Å; I295-Y297 VanDerWaalsContact C-N 3.35Å; I295-Y297 PolarHBondContact O-N 3.33Å; Y297-T299 VanDerWaalsContact C-N 3.32Å; Y297-T299 PolarHBondContact O-N 2.81Å; Y297-T300 PolarHBondContact O-N 2.93Å; Y297-E301 HydrophobicContact CD1-CB 4.44Å; Y297-E301 HydrophobicContact CE1-CB 4.37Å; Y297-E301 VanDerWaalsContact O-CB 3.24Å; Y297-E301 WeakPolarHBondContact O-CB 3.47Å; Y297-E301 PolarHBondContact O-N 3.2Å; Y297-I314 HydrophobicContact CD1-CG2 4.45Å; Y297-I314 HydrophobicContact CD2-CB 4.29Å; Y297-I314 HydrophobicContact CD2-CG2 3.41Å; Y297-I314 VanDerWaalsContact CD2-CG2 3.41Å; Y297-I314 HydrophobicContact CE1-CG2 4.5Å; Y297-I314 HydrophobicContact CE2-CB 3.85Å; Y297-I314 HydrophobicContact CE2-CG2 3.48Å; Y297-I314 VanDerWaalsContact CE2-CG2 3.48Å; Y297-I314 HydrophobicContact CG-CG2 3.92Å; Y297-V318 HydrophobicContact CD2-CG2 4.32Å; Y297-D347 VanDerWaalsContact OH-C 3.31Å; Y297-D347 PolarHBondContact OH-O 3.07Å; Y297-K349 HydrophobicContact CD1-CG 4.45Å; Y297-K349 HydrophobicContact CE1-CB 3.98Å; Y297-K349 HydrophobicContact CE1-CG 4.35Å; Y297-V352 HydrophobicContact CD2-CB 4.13Å; Y297-V352 HydrophobicContact CD2-CG1 3.95Å; Y297-V352 HydrophobicContact CD2-CG2 3.75Å; Y297-V352 HydrophobicContact CE2-CB 4.32Å; Y297-V352 HydrophobicContact CE2-CG2 3.6Å; Y297-V352 HydrophobicContact CG-CG1 4.28Å
298	V	78.7	Confident	80.7	Confident	53 Å²	53	51.3 Å²	51.3	32%	0.321	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-35.7	-176.5	171.2	0	0	0	0	112.3	Q294 I295 K302 K349	Q294-V298 WeakPolarHBondContact O-CG2 3.47Å; Q294-V298 PolarHBondContact O-N 2.9Å; I295-V298 PolarHBondContact O-N 2.8Å; V298-K302 WeakPolarHBondContact O-CB 3.37Å; V298-K302 PolarHBondContact O-N 3.45Å; V298-K349 HydrophobicContact CG2-CD 4.29Å
299	T	82.6	Confident	79.4	Confident	44 Å²	44	55.4 Å²	55.4	27%	0.27	30%	0.295	S	S	.	.	H	α-helix	trans	-73.3	-38.6	175.6	49.2	0	0	0	0	112.8	Q237 I295 L296 Y297 K302 E303	Q237-T299 PolarHBondContact NE2-OG1 3.35Å; Q237-T299 PolarHBondContact OE1-OG1 3.09Å; I295-T299 PolarHBondContact O-N 3.06Å; I295-T299 PolarHBondContact O-OG1 3.45Å; L296-T299 PolarHBondContact O-N 2.68Å; L296-T299 PolarHBondContact O-OG1 2.82Å; Y297-T299 VanDerWaalsContact C-N 3.32Å; Y297-T299 PolarHBondContact O-N 2.81Å; T299-K302 PolarHBondContact O-N 3.06Å; T299-E303 VanDerWaalsContact O-CB 3.24Å; T299-E303 WeakPolarHBondContact O-CB 3.43Å; T299-E303 PolarHBondContact O-N 3.08Å
300	T	83	Confident	78	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.018	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-39	173.3	-51.2	0	0	0	0	111.9	L296 Y297 R304 I314 Y317	L296-T300 VanDerWaalsContact O-CB 3.29Å; L296-T300 WeakPolarHBondContact O-CB 3.31Å; L296-T300 PolarHBondContact O-N 2.81Å; L296-T300 PolarHBondContact O-OG1 3.29Å; Y297-T300 PolarHBondContact O-N 2.93Å; T300-R304 WeakPolarHBondContact O-CB 3.23Å; T300-R304 WeakPolarHBondContact O-CG 3.25Å; T300-R304 PolarHBondContact O-N 2.97Å; T300-I314 HydrophobicContact CG2-CG1 4.2Å; T300-I314 HydrophobicContact CG2-CG2 4.16Å; T300-Y317 HydrophobicContact CG2-CD1 3.89Å; T300-Y317 HydrophobicContact CG2-CE1 3.91Å
301	E	77	Confident	77	Confident	48 Å²	48	59.2 Å²	59.2	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-61.1	-52.8	174.5	-177.7	179	-144.5	0	0	110.9	Y297 E303 R304 M305 T311 I314	Y297-E301 HydrophobicContact CD1-CB 4.44Å; Y297-E301 HydrophobicContact CE1-CB 4.37Å; Y297-E301 VanDerWaalsContact O-CB 3.24Å; Y297-E301 WeakPolarHBondContact O-CB 3.47Å; Y297-E301 PolarHBondContact O-N 3.2Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E301-E303 PolarHBondContact O-N 2.98Å; E301-R304 PolarHBondContact O-N 3Å; E301-M305 VanDerWaalsContact O-CB 3.32Å; E301-M305 WeakPolarHBondContact O-CB 3.24Å; E301-M305 WeakPolarHBondContact O-CG 3.49Å; E301-M305 PolarHBondContact O-N 2.83Å; E301-T311 HydrophobicContact CG-CG2 4.4Å; E301-I314 HydrophobicContact CB-CD1 3.91Å; E301-I314 HydrophobicContact CG-CD1 4.37Å
302	K	76.5	Confident	75.9	Confident	165 Å²	165	63.1 Å²	63.1	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-60.2	-40.9	177.5	-171.3	177.3	-176.4	179.9	0	112.3	V298 T299 S306	V298-K302 WeakPolarHBondContact O-CB 3.37Å; V298-K302 PolarHBondContact O-N 3.45Å; T299-K302 PolarHBondContact O-N 3.06Å; K302-S306 WeakPolarHBondContact O-CB 3.32Å; K302-S306 PolarHBondContact O-N 2.76Å; K302-S306 PolarHBondContact O-OG 2.86Å
303	E	78.2	Confident	74.7	Confident	26 Å²	26	67.8 Å²	67.8	12%	0.121	36%	0.362	C	S	.	.	H	α-helix	trans	-62.5	-54.4	176.9	-180	-173.1	165.3	0	0	111.6	A230 R234 T299 E301 M305 S306 Q307	A230-E303 HydrophobicContact CB-CB 4.41Å; A230-E303 VanDerWaalsContact CB-CD 3.45Å; A230-E303 HydrophobicContact CB-CG 3.81Å; R234-E303 IonicContact CZ-OE1 2.69Å; R234-E303 IonicContact CZ-OE2 2.71Å; R234-E303 IonicContact NH1-OE1 3.82Å; R234-E303 PolarHBondContact NH1-OE1 3.03Å; R234-E303 IonicContact NH1-OE2 2.72Å; R234-E303 PolarHBondContact NH1-OE2 3.3Å; R234-E303 IonicContact NH2-OE1 3.22Å; R234-E303 PolarHBondContact NH2-OE1 3.17Å; T299-E303 VanDerWaalsContact O-CB 3.24Å; T299-E303 WeakPolarHBondContact O-CB 3.43Å; T299-E303 PolarHBondContact O-N 3.08Å; E301-E303 VanDerWaalsContact C-N 3.33Å; E301-E303 PolarHBondContact O-N 2.98Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 2.86Å; E303-S306 PolarHBondContact O-N 2.76Å; E303-S306 VanDerWaalsContact O-N 3.09Å; E303-S306 PolarHBondContact O-OG 2.84Å; E303-Q307 WeakPolarHBondContact O-CG 3.34Å; E303-Q307 PolarHBondContact O-N 2.67Å; E303-Q307 VanDerWaalsContact O-N 3.08Å
304	R	78.6	Confident	74.1	Confident	45 Å²	45	67.4 Å²	67.4	17%	0.17	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-42.9	179.3	-70.6	-177.7	-171.4	-167	12.6	112.1	T300 E301 S306 Q307 G308 M309 N310 K312 N313	T300-R304 WeakPolarHBondContact O-CB 3.23Å; T300-R304 WeakPolarHBondContact O-CG 3.25Å; T300-R304 PolarHBondContact O-N 2.97Å; E301-R304 PolarHBondContact O-N 3Å; R304-S306 VanDerWaalsContact C-N 3.32Å; R304-S306 PolarHBondContact O-N 2.84Å; R304-Q307 CarbonylContact O-C 3.59Å; R304-Q307 PolarHBondContact O-N 3.03Å; R304-Q307 VanDerWaalsContact O-N 3.11Å; R304-G308 PolarHBondContact O-N 3.47Å; R304-G308 VanDerWaalsContact O-N 3.15Å; R304-M309 HydrophobicContact CB-CB 4.07Å; R304-M309 HydrophobicContact CG-CB 4.42Å; R304-M309 PolarHBondContact O-N 2.92Å; R304-N310 PolarHBondContact NH1-O 3.41Å; R304-K312 PolarHBondContact NH1-O 2.92Å; R304-N313 PolarHBondContact NH2-O 2.94Å
305	M	69.3	Low	73.6	Confident	117 Å²	117	64.9 Å²	64.9	58%	0.576	35%	0.349	S	S	*	.	H	α-helix	trans	-57.9	-43.1	173.8	-72.4	-74.4	-76	0	0	111.6	E301 E303 Q307 G308 T311	E301-M305 VanDerWaalsContact O-CB 3.32Å; E301-M305 WeakPolarHBondContact O-CB 3.24Å; E301-M305 WeakPolarHBondContact O-CG 3.49Å; E301-M305 PolarHBondContact O-N 2.83Å; E303-M305 VanDerWaalsContact C-N 3.34Å; E303-M305 PolarHBondContact O-N 2.86Å; M305-Q307 VanDerWaalsContact C-N 3.25Å; M305-Q307 PolarHBondContact O-N 2.89Å; M305-G308 PolarHBondContact O-N 2.97Å; M305-T311 HydrophobicContact CG-CG2 4.07Å; M305-T311 HydrophobicContact SD-CG2 4.02Å
306	S	70.1	Confident	73.2	Confident	97 Å²	97	64.9 Å²	64.9	68%	0.678	35%	0.353	S	S	*	.	H	α-helix	trans	-66.7	-24.6	177.1	75.2	0	0	0	0	114	K302 E303 R304	K302-S306 WeakPolarHBondContact O-CB 3.32Å; K302-S306 PolarHBondContact O-N 2.76Å; K302-S306 PolarHBondContact O-OG 2.86Å; E303-S306 PolarHBondContact O-N 2.76Å; E303-S306 VanDerWaalsContact O-N 3.09Å; E303-S306 PolarHBondContact O-OG 2.84Å; R304-S306 VanDerWaalsContact C-N 3.32Å; R304-S306 PolarHBondContact O-N 2.84Å
307	Q	70.5	Confident	73	Confident	112 Å²	112	68.8 Å²	68.8	52%	0.523	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	2.1	177	-65.2	172.3	13.4	0	0	113	E303 R304 M305 M309	E303-Q307 WeakPolarHBondContact O-CG 3.34Å; E303-Q307 PolarHBondContact O-N 2.67Å; E303-Q307 VanDerWaalsContact O-N 3.08Å; R304-Q307 CarbonylContact O-C 3.59Å; R304-Q307 PolarHBondContact O-N 3.03Å; R304-Q307 VanDerWaalsContact O-N 3.11Å; M305-Q307 VanDerWaalsContact C-N 3.25Å; M305-Q307 PolarHBondContact O-N 2.89Å; Q307-M309 HydrophobicContact CB-CG 3.96Å; Q307-M309 HydrophobicContact CB-SD 4.3Å; Q307-M309 PolarHBondContact O-N 3.43Å; Q307-M309 PolarHBondContact OE1-SD 2.86Å; Q307-M309 VanDerWaalsContact OE1-SD 3.4Å
308	G	57.7	Low	73.1	Confident	75 Å²	75	68.8 Å²	68.8	77%	0.773	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	17	-174.2	0	0	0	0	0	114.1	R304 M305	R304-G308 PolarHBondContact O-N 3.47Å; R304-G308 VanDerWaalsContact O-N 3.15Å; M305-G308 PolarHBondContact O-N 2.97Å
309	M	64.7	Low	73.3	Confident	107 Å²	107	67.2 Å²	67.2	53%	0.527	36%	0.358	S	S	.	.			trans	-88.4	152.5	-178.4	-66.5	-173.4	78.1	0	0	112	R304 Q307	R304-M309 HydrophobicContact CB-CB 4.07Å; R304-M309 HydrophobicContact CG-CB 4.42Å; R304-M309 PolarHBondContact O-N 2.92Å; Q307-M309 HydrophobicContact CB-CG 3.96Å; Q307-M309 HydrophobicContact CB-SD 4.3Å; Q307-M309 PolarHBondContact O-N 3.43Å; Q307-M309 PolarHBondContact OE1-SD 2.86Å; Q307-M309 VanDerWaalsContact OE1-SD 3.4Å
310	N	62.6	Low	73.4	Confident	101 Å²	101	69.5 Å²	69.5	54%	0.54	37%	0.368	S	S	.	.			trans	-70.4	139.1	-179.9	-161	-72.2	0	0	0	112.3	R304 K312	R304-N310 PolarHBondContact NH1-O 3.41Å; N310-K312 VanDerWaalsContact C-N 3.3Å; N310-K312 PolarHBondContact O-N 2.86Å; N310-K312 VanDerWaalsContact OD1-CB 3.26Å; N310-K312 WeakPolarHBondContact OD1-CB 3.49Å; N310-K312 WeakPolarHBondContact OD1-CD 3.43Å; N310-K312 WeakPolarHBondContact OD1-CG 3.43Å; N310-K312 PolarHBondContact OD1-N 3.47Å
311	T	64.3	Low	73.7	Confident	43 Å²	43	70.4 Å²	70.4	26%	0.264	37%	0.374	S	S	.	.			trans	-77.5	-7.4	179.7	47.3	0	0	0	0	114.3	E301 M305 I314	E301-T311 HydrophobicContact CG-CG2 4.4Å; M305-T311 HydrophobicContact CG-CG2 4.07Å; M305-T311 HydrophobicContact SD-CG2 4.02Å; T311-I314 HydrophobicContact CG2-CD1 4.06Å; T311-I314 VanDerWaalsContact O-CD1 3.27Å; T311-I314 WeakPolarHBondContact O-CD1 3.25Å; T311-I314 WeakPolarHBondContact O-CG1 3.41Å; T311-I314 PolarHBondContact O-N 2.85Å
312	K	62.3	Low	74.3	Confident	141 Å²	141	68.1 Å²	68.1	61%	0.613	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	143.3	173.4	-74.7	169.7	-176.3	-178.9	0	112.5	R304 N310 D347	R304-K312 PolarHBondContact NH1-O 2.92Å; N310-K312 VanDerWaalsContact C-N 3.3Å; N310-K312 PolarHBondContact O-N 2.86Å; N310-K312 VanDerWaalsContact OD1-CB 3.26Å; N310-K312 WeakPolarHBondContact OD1-CB 3.49Å; N310-K312 WeakPolarHBondContact OD1-CD 3.43Å; N310-K312 WeakPolarHBondContact OD1-CG 3.43Å; N310-K312 PolarHBondContact OD1-N 3.47Å; K312-D347 WeakPolarHBondContact CA-OD2 3.41Å
313	N	65.4	Low	74.9	Confident	108 Å²	108	60.6 Å²	60.6	58%	0.578	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	40.5	-175.5	-49.2	-53.9	0	0	0	113.5	R304 P316 D347	R304-N313 PolarHBondContact NH2-O 2.94Å; N313-P316 HydrophobicContact CB-CG 4.35Å; N313-D347 PolarHBondContact N-OD2 2.8Å
314	I	75.8	Confident	75.4	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-78.6	-42.2	161.3	-68.1	164.9	0	0	0	108.9	Y297 T300 E301 T311 Y317 V318 D347	Y297-I314 HydrophobicContact CD1-CG2 4.45Å; Y297-I314 HydrophobicContact CD2-CB 4.29Å; Y297-I314 HydrophobicContact CD2-CG2 3.41Å; Y297-I314 VanDerWaalsContact CD2-CG2 3.41Å; Y297-I314 HydrophobicContact CE1-CG2 4.5Å; Y297-I314 HydrophobicContact CE2-CB 3.85Å; Y297-I314 HydrophobicContact CE2-CG2 3.48Å; Y297-I314 VanDerWaalsContact CE2-CG2 3.48Å; Y297-I314 HydrophobicContact CG-CG2 3.92Å; T300-I314 HydrophobicContact CG2-CG1 4.2Å; T300-I314 HydrophobicContact CG2-CG2 4.16Å; E301-I314 HydrophobicContact CB-CD1 3.91Å; E301-I314 HydrophobicContact CG-CD1 4.37Å; T311-I314 HydrophobicContact CG2-CD1 4.06Å; T311-I314 VanDerWaalsContact O-CD1 3.27Å; T311-I314 WeakPolarHBondContact O-CD1 3.25Å; T311-I314 WeakPolarHBondContact O-CG1 3.41Å; T311-I314 PolarHBondContact O-N 2.85Å; I314-Y317 WeakPolarHBondContact O-CB 3.32Å; I314-Y317 PolarHBondContact O-N 3.12Å; I314-Y317 VanDerWaalsContact O-N 3.16Å; I314-V318 HydrophobicContact CG2-CG2 3.91Å; I314-V318 WeakPolarHBondContact O-CG2 3.31Å; I314-V318 PolarHBondContact O-N 3.24Å; I314-D347 PolarHBondContact N-OD1 3.44Å
315	T	70.4	Confident	76.1	Confident	12 Å²	12	58.7 Å²	58.7	7%	0.074	33%	0.332	C	S	.	.	H	α-helix	trans	-59.6	-47.7	-175.5	-45.2	0	0	0	0	113	Y317 V318 M319 L343 D347 V352	T315-Y317 PolarHBondContact O-N 2.8Å; T315-V318 PolarHBondContact O-N 3.1Å; T315-M319 WeakPolarHBondContact O-CG 3.39Å; T315-M319 PolarHBondContact O-N 2.88Å; T315-M319 VanDerWaalsContact O-N 3.09Å; T315-L343 HydrophobicContact CG2-CD2 4Å; T315-D347 VanDerWaalsContact CB-OD1 3.29Å; T315-D347 WeakPolarHBondContact CB-OD1 3.48Å; T315-D347 PolarHBondContact N-OD1 2.87Å; T315-D347 PolarHBondContact OG1-OD1 3.24Å; T315-V352 HydrophobicContact CG2-CG2 3.78Å
316	P	77.3	Confident	77.2	Confident	63 Å²	63	53.1 Å²	53.1	41%	0.409	31%	0.305	S	S	.	.	H	α-helix	trans	-61.2	-41.1	175.2	-21.9	35	0	0	0	112.6	N313 V318 M319 D320	N313-P316 HydrophobicContact CB-CG 4.35Å; P316-V318 PolarHBondContact O-N 3.26Å; P316-M319 PolarHBondContact O-N 2.82Å; P316-D320 WeakPolarHBondContact O-CB 3.49Å; P316-D320 PolarHBondContact O-N 3.13Å
317	Y	83.1	Confident	78.1	Confident	82 Å²	82	49 Å²	49	32%	0.322	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-43.3	178.6	169	-98.6	0	0	0	112.6	R234 T300 I314 T315 M319 T321	R234-Y317 WeakPolarHBondContact CD-OH 3.44Å; T300-Y317 HydrophobicContact CG2-CD1 3.89Å; T300-Y317 HydrophobicContact CG2-CE1 3.91Å; I314-Y317 WeakPolarHBondContact O-CB 3.32Å; I314-Y317 PolarHBondContact O-N 3.12Å; I314-Y317 VanDerWaalsContact O-N 3.16Å; T315-Y317 PolarHBondContact O-N 2.8Å; Y317-M319 VanDerWaalsContact C-N 3.34Å; Y317-T321 WeakPolarHBondContact O-CB 3.45Å; Y317-T321 PolarHBondContact O-N 3.43Å; Y317-T321 PolarHBondContact O-OG1 2.99Å
318	V	86.1	Confident	79	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-63.8	-41	175.9	173.2	0	0	0	0	110.8	I293 L296 Y297 I314 T315 P316 L322	I293-V318 HydrophobicContact CB-CG1 4.19Å; I293-V318 HydrophobicContact CG1-CG1 4.2Å; I293-V318 HydrophobicContact CG2-CG1 3.96Å; L296-V318 HydrophobicContact CD2-CB 4.5Å; L296-V318 HydrophobicContact CD2-CG1 4.34Å; L296-V318 HydrophobicContact CD2-CG2 4.3Å; L296-V318 HydrophobicContact CG-CG2 4.16Å; Y297-V318 HydrophobicContact CD2-CG2 4.32Å; I314-V318 HydrophobicContact CG2-CG2 3.91Å; I314-V318 WeakPolarHBondContact O-CG2 3.31Å; I314-V318 PolarHBondContact O-N 3.24Å; T315-V318 PolarHBondContact O-N 3.1Å; P316-V318 PolarHBondContact O-N 3.26Å; V318-L322 PolarHBondContact O-N 3.49Å
319	M	83.1	Confident	80.6	Confident	21 Å²	21	48.1 Å²	48.1	10%	0.103	25%	0.247	C	C	.	.	H	α-helix	trans	-72.5	-41.8	179.3	-63.9	-50.2	-58.4	0	0	113.2	I293 T315 P316 Y317 T321 L322 E323 T338 V360	I293-M319 HydrophobicContact CD1-SD 4.14Å; I293-M319 HydrophobicContact CG1-SD 4.39Å; T315-M319 WeakPolarHBondContact O-CG 3.39Å; T315-M319 PolarHBondContact O-N 2.88Å; T315-M319 VanDerWaalsContact O-N 3.09Å; P316-M319 PolarHBondContact O-N 2.82Å; Y317-M319 VanDerWaalsContact C-N 3.34Å; M319-T321 VanDerWaalsContact C-N 3.3Å; M319-T321 PolarHBondContact O-N 2.75Å; M319-L322 HydrophobicContact CE-CD2 4.26Å; M319-L322 PolarHBondContact O-N 3.46Å; M319-E323 PolarHBondContact O-N 2.89Å; M319-T338 HydrophobicContact CB-CG2 4.29Å; M319-T338 HydrophobicContact CE-CG2 4.04Å; M319-T338 HydrophobicContact CG-CG2 4.47Å; M319-V360 HydrophobicContact CE-CB 4.02Å; M319-V360 HydrophobicContact CE-CG1 3.45Å; M319-V360 VanDerWaalsContact CE-CG1 3.45Å; M319-V360 HydrophobicContact CE-CG2 4.48Å
320	D	84.7	Confident	81.7	Confident	91 Å²	91	43.4 Å²	43.4	49%	0.487	22%	0.224	S	C	.	.	H	α-helix	trans	-60.6	-39.8	172.8	-91.7	-33.5	0	0	0	111.3	P316 L322 G324	P316-D320 WeakPolarHBondContact O-CB 3.49Å; P316-D320 PolarHBondContact O-N 3.13Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-G324 PolarHBondContact O-N 2.95Å
321	T	89.6	Confident	82.7	Confident	23 Å²	23	41.9 Å²	41.9	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-40.7	176.1	-56.6	0	0	0	0	111	I238 F292 L296 Y317 M319 E325	I238-T321 HydrophobicContact CD1-CG2 3.97Å; I238-T321 HydrophobicContact CG1-CG2 4.23Å; F292-T321 HydrophobicContact CZ-CG2 4.03Å; L296-T321 HydrophobicContact CD2-CG2 3.8Å; Y317-T321 WeakPolarHBondContact O-CB 3.45Å; Y317-T321 PolarHBondContact O-N 3.43Å; Y317-T321 PolarHBondContact O-OG1 2.99Å; M319-T321 VanDerWaalsContact C-N 3.3Å; M319-T321 PolarHBondContact O-N 2.75Å; T321-E325 WeakPolarHBondContact O-CB 3.39Å; T321-E325 PolarHBondContact O-N 3.12Å
322	L	90.7	Very high	83.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.5	-52.1	175.4	178.7	62.1	0	0	0	112.5	L241 M289 F292 I293 V318 M319 D320 G324 E325 I326 L364	L241-L322 HydrophobicContact CD2-CD1 3.71Å; M289-L322 HydrophobicContact CB-CD1 4.42Å; M289-L322 HydrophobicContact CB-CD2 4.3Å; M289-L322 HydrophobicContact CG-CD1 4.13Å; F292-L322 HydrophobicContact CD1-CD1 4.21Å; F292-L322 HydrophobicContact CE1-CB 4.25Å; F292-L322 HydrophobicContact CE1-CD1 4.42Å; I293-L322 HydrophobicContact CD1-CD2 3.69Å; I293-L322 HydrophobicContact CG1-CD2 3.89Å; V318-L322 PolarHBondContact O-N 3.49Å; M319-L322 HydrophobicContact CE-CD2 4.26Å; M319-L322 PolarHBondContact O-N 3.46Å; D320-L322 VanDerWaalsContact C-N 3.34Å; L322-G324 PolarHBondContact O-N 3.01Å; L322-E325 PolarHBondContact O-N 3.18Å; L322-I326 HydrophobicContact CD1-CD1 4.08Å; L322-I326 HydrophobicContact CD1-CG1 3.94Å; L322-I326 HydrophobicContact CG-CG1 4.35Å; L322-I326 WeakPolarHBondContact O-CG1 3.49Å; L322-I326 PolarHBondContact O-N 3.19Å; L322-L364 HydrophobicContact CD2-CD1 3.67Å; L322-L364 HydrophobicContact CG-CD1 3.82Å
323	E	88.4	Confident	84.6	Confident	7 Å²	7	43.4 Å²	43.4	3%	0.033	25%	0.245	C	C	.	.	H	α-helix	trans	-58.4	-37.4	178.4	-73.3	-169.8	-178.2	0	0	111	M319 G327 K335 G336 T338 L364	M319-E323 PolarHBondContact O-N 2.89Å; E323-G327 PolarHBondContact O-N 2.94Å; E323-K335 WeakPolarHBondContact OE2-CA 3.06Å; E323-G336 PolarHBondContact OE2-N 3.4Å; E323-T338 WeakPolarHBondContact OE1-CG2 3.23Å; E323-T338 PolarHBondContact OE1-N 3.49Å; E323-T338 PolarHBondContact OE1-OG1 3.49Å; E323-L364 HydrophobicContact CG-CD2 4.42Å
324	G	89.8	Confident	85.2	Confident	31 Å²	31	38.6 Å²	38.6	32%	0.32	22%	0.219	S	C	.	.	H	α-helix	trans	-68.2	-34.5	173.9	0	0	0	0	0	114.4	D320 L322 R328	D320-G324 PolarHBondContact O-N 2.95Å; L322-G324 PolarHBondContact O-N 3.01Å; G324-R328 WeakPolarHBondContact O-CG 3.43Å; G324-R328 PolarHBondContact O-N 3.23Å; G324-R328 VanDerWaalsContact O-N 3.15Å
325	E	92.3	Very high	84.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-75.7	-42.6	176.1	-172.6	56.1	-147.5	0	0	112.1	I238 L241 R242 T321 L322 G327 R328 I329	I238-E325 HydrophobicContact CG2-CG 4.26Å; I238-E325 VanDerWaalsContact CG2-OE2 3.32Å; I238-E325 WeakPolarHBondContact CG2-OE2 3.36Å; L241-E325 HydrophobicContact CD2-CG 4.24Å; R242-E325 WeakPolarHBondContact CB-OE1 3.4Å; R242-E325 IonicContact CZ-OE1 2.83Å; R242-E325 IonicContact CZ-OE2 3.48Å; R242-E325 IonicContact NE-OE1 3.14Å; R242-E325 PolarHBondContact NE-OE1 3.3Å; R242-E325 VanDerWaalsContact NH2-CD 3.3Å; R242-E325 IonicContact NH2-OE1 3.24Å; R242-E325 PolarHBondContact NH2-OE1 3.34Å; R242-E325 IonicContact NH2-OE2 2.95Å; R242-E325 PolarHBondContact NH2-OE2 2.7Å; T321-E325 WeakPolarHBondContact O-CB 3.39Å; T321-E325 PolarHBondContact O-N 3.12Å; L322-E325 PolarHBondContact O-N 3.18Å; E325-G327 VanDerWaalsContact C-N 3.27Å; E325-G327 PolarHBondContact O-N 3.4Å; E325-R328 WeakPolarHBondContact O-CB 3.25Å; E325-R328 PolarHBondContact O-N 3.19Å; E325-R328 IonicContact OE2-CZ 3.43Å; E325-R328 IonicContact OE2-NE 3.44Å; E325-R328 PolarHBondContact OE2-NE 3.22Å; E325-R328 IonicContact OE2-NH2 3.05Å; E325-R328 PolarHBondContact OE2-NH2 3Å; E325-I329 WeakPolarHBondContact O-CG1 3.43Å; E325-I329 PolarHBondContact O-N 2.77Å
326	I	91.6	Very high	84.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-39.2	172	-58.1	-47.3	0	0	0	110.5	L245 M289 L322 R328 I329 V330 V334 L364 V367 L368	L245-I326 HydrophobicContact CD1-CD1 3.42Å; L245-I326 VanDerWaalsContact CD1-CD1 3.42Å; M289-I326 HydrophobicContact CE-CD1 3.79Å; M289-I326 HydrophobicContact CE-CG1 4.29Å; L322-I326 HydrophobicContact CD1-CD1 4.08Å; L322-I326 HydrophobicContact CD1-CG1 3.94Å; L322-I326 HydrophobicContact CG-CG1 4.35Å; L322-I326 WeakPolarHBondContact O-CG1 3.49Å; L322-I326 PolarHBondContact O-N 3.19Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 3.4Å; I326-I329 HydrophobicContact CD1-CD1 4.41Å; I326-I329 PolarHBondContact O-N 2.93Å; I326-I329 VanDerWaalsContact O-N 3.09Å; I326-V330 WeakPolarHBondContact O-CG2 3.42Å; I326-V330 PolarHBondContact O-N 3.25Å; I326-V334 HydrophobicContact CG2-CG2 4.42Å; I326-L364 HydrophobicContact CB-CD2 4.28Å; I326-L364 HydrophobicContact CG1-CB 4.42Å; I326-L364 HydrophobicContact CG1-CD1 4.27Å; I326-L364 HydrophobicContact CG1-CD2 4.32Å; I326-L364 HydrophobicContact CG2-CD2 4.14Å; I326-V367 HydrophobicContact CG2-CG1 4.14Å; I326-L368 HydrophobicContact CD1-CD1 4.3Å; I326-L368 HydrophobicContact CG2-CD2 4Å; I326-L368 HydrophobicContact CG2-CG 4.16Å
327	G	89.2	Confident	83.1	Confident	9 Å²	9	47.3 Å²	47.3	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-61.7	-34.8	174.8	0	0	0	0	0	114.4	E323 E325 G331 Y332	E323-G327 PolarHBondContact O-N 2.94Å; E325-G327 VanDerWaalsContact C-N 3.27Å; E325-G327 PolarHBondContact O-N 3.4Å; G327-G331 PolarHBondContact O-N 3.49Å; G327-Y332 CarbonylContact C-O 3.5Å; G327-Y332 WeakPolarHBondContact CA-O 3.5Å; G327-Y332 PolarHBondContact O-N 3Å
328	R	90.1	Very high	81.5	Confident	144 Å²	144	44.7 Å²	44.7	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-64.6	-39.7	170.6	-77.5	-177.1	-76.5	-93	5.4	112.2	G324 E325 I326	G324-R328 WeakPolarHBondContact O-CG 3.43Å; G324-R328 PolarHBondContact O-N 3.23Å; G324-R328 VanDerWaalsContact O-N 3.15Å; E325-R328 WeakPolarHBondContact O-CB 3.25Å; E325-R328 PolarHBondContact O-N 3.19Å; E325-R328 IonicContact OE2-CZ 3.43Å; E325-R328 IonicContact OE2-NE 3.44Å; E325-R328 PolarHBondContact OE2-NE 3.22Å; E325-R328 IonicContact OE2-NH2 3.05Å; E325-R328 PolarHBondContact OE2-NH2 3Å; I326-R328 VanDerWaalsContact C-N 3.32Å; I326-R328 PolarHBondContact O-N 3.4Å
329	I	90.6	Very high	79.5	Confident	25 Å²	25	49 Å²	49	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-71	-40.7	-179.8	-63.5	167.7	0	0	0	112	L245 M249 E325 I326 L368	L245-I329 HydrophobicContact CB-CD1 4.01Å; L245-I329 HydrophobicContact CD1-CD1 3.75Å; M249-I329 HydrophobicContact CE-CG2 4.17Å; M249-I329 HydrophobicContact SD-CG2 3.64Å; E325-I329 WeakPolarHBondContact O-CG1 3.43Å; E325-I329 PolarHBondContact O-N 2.77Å; I326-I329 HydrophobicContact CD1-CD1 4.41Å; I326-I329 PolarHBondContact O-N 2.93Å; I326-I329 VanDerWaalsContact O-N 3.09Å; I329-L368 HydrophobicContact CB-CD2 4.18Å; I329-L368 HydrophobicContact CG2-CD2 3.63Å
330	V	87.9	Confident	77.4	Confident	9 Å²	9	51.9 Å²	51.9	6%	0.055	30%	0.304	C	S	.	.	H	α-helix	trans	-86.5	-13.7	179.7	-56.9	0	0	0	0	114.6	I326 Y332 V334 V367 L368 K371	I326-V330 WeakPolarHBondContact O-CG2 3.42Å; I326-V330 PolarHBondContact O-N 3.25Å; V330-Y332 HydrophobicContact CB-CD1 4.01Å; V330-Y332 HydrophobicContact CB-CE1 3.66Å; V330-Y332 HydrophobicContact CG2-CD1 3.6Å; V330-Y332 HydrophobicContact CG2-CD2 4.11Å; V330-Y332 HydrophobicContact CG2-CE1 3.47Å; V330-Y332 VanDerWaalsContact CG2-CE1 3.47Å; V330-Y332 HydrophobicContact CG2-CE2 3.99Å; V330-Y332 HydrophobicContact CG2-CG 3.93Å; V330-Y332 WeakPolarHBondContact O-CD1 3.21Å; V330-V334 HydrophobicContact CG2-CG2 3.69Å; V330-V367 HydrophobicContact CB-CG1 4.43Å; V330-V367 HydrophobicContact CG1-CG1 3.75Å; V330-V367 HydrophobicContact CG2-CG1 4.09Å; V330-L368 HydrophobicContact CG1-CD2 3.84Å; V330-K371 HydrophobicContact CB-CB 4.37Å; V330-K371 HydrophobicContact CB-CG 4.4Å; V330-K371 HydrophobicContact CG1-CB 3.93Å; V330-K371 HydrophobicContact CG1-CG 4.23Å
331	G	83.9	Confident	75.1	Confident	68 Å²	68	55.2 Å²	55.2	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	13.7	178.3	0	0	0	0	0	115.2	G327	G327-G331 PolarHBondContact O-N 3.49Å
332	Y	85	Confident	72.7	Confident	122 Å²	122	57.6 Å²	57.6	48%	0.478	34%	0.339	S	S	.	.	S	Bend	trans	-147.6	161.2	177.6	62.8	-95.2	0	0	0	112.1	G327 V330 V334	G327-Y332 CarbonylContact C-O 3.5Å; G327-Y332 WeakPolarHBondContact CA-O 3.5Å; G327-Y332 PolarHBondContact O-N 3Å; V330-Y332 HydrophobicContact CB-CD1 4.01Å; V330-Y332 HydrophobicContact CB-CE1 3.66Å; V330-Y332 HydrophobicContact CG2-CD1 3.6Å; V330-Y332 HydrophobicContact CG2-CD2 4.11Å; V330-Y332 HydrophobicContact CG2-CE1 3.47Å; V330-Y332 VanDerWaalsContact CG2-CE1 3.47Å; V330-Y332 HydrophobicContact CG2-CE2 3.99Å; V330-Y332 HydrophobicContact CG2-CG 3.93Å; V330-Y332 WeakPolarHBondContact O-CD1 3.21Å; Y332-V334 HydrophobicContact CD2-CG2 4.29Å; Y332-V334 HydrophobicContact CE2-CG2 4.15Å; Y332-V334 PolarHBondContact O-N 2.89Å
333	S	81.3	Confident	70.2	Confident	95 Å²	95	59.6 Å²	59.6	66%	0.664	35%	0.35	S	S	*	.			trans	-70.9	123.5	179.2	172.7	0	0	0	0	111.6
334	V	78.6	Confident	67.8	Low	7 Å²	7	63.4 Å²	63.4	4%	0.042	38%	0.382	C	S	.	.			trans	-98.5	11.5	-176.7	-171.4	0	0	0	0	112.1	I326 V330 Y332 I337 L364 V367	I326-V334 HydrophobicContact CG2-CG2 4.42Å; V330-V334 HydrophobicContact CG2-CG2 3.69Å; Y332-V334 HydrophobicContact CD2-CG2 4.29Å; Y332-V334 HydrophobicContact CE2-CG2 4.15Å; Y332-V334 PolarHBondContact O-N 2.89Å; V334-I337 HydrophobicContact CG1-CD1 3.51Å; V334-I337 HydrophobicContact CG1-CG1 4.2Å; V334-L364 HydrophobicContact CG1-CD2 3.44Å; V334-L364 VanDerWaalsContact CG1-CD2 3.44Å; V334-V367 HydrophobicContact CG1-CG1 4.16Å; V334-V367 HydrophobicContact CG1-CG2 4.34Å; V334-V367 HydrophobicContact CG2-CG1 4.1Å
335	K	65.9	Low	65.4	Low	157 Å²	157	66.8 Å²	66.8	68%	0.683	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	139	-175.5	-73.9	-165.4	170	-158	0	113.9	E323	E323-K335 WeakPolarHBondContact OE2-CA 3.06Å
336	G	56.2	Low	63.1	Low	65 Å²	65	69.9 Å²	69.9	67%	0.67	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	11.4	175.1	0	0	0	0	0	114.4	E323	E323-G336 PolarHBondContact OE2-N 3.4Å
337	I	56.2	Low	60.9	Low	36 Å²	36	71.6 Å²	71.6	19%	0.185	42%	0.42	C	S	.	.			trans	-78.7	-11	170.3	-70.5	-165.9	0	0	0	111.7	V334 V360 R363 L364 V367	V334-I337 HydrophobicContact CG1-CD1 3.51Å; V334-I337 HydrophobicContact CG1-CG1 4.2Å; I337-V360 HydrophobicContact CG2-CG1 4.3Å; I337-R363 HydrophobicContact CG2-CB 3.36Å; I337-R363 HydrophobicContact CG2-CG 4.28Å; I337-R363 VanDerWaalsContact O-CZ 3.27Å; I337-R363 PolarHBondContact O-NE 3.06Å; I337-R363 PolarHBondContact O-NH2 3.35Å; I337-L364 HydrophobicContact CD1-CD2 4.49Å; I337-L364 HydrophobicContact CG2-CD2 4.4Å; I337-L364 HydrophobicContact CG2-CG 4.47Å; I337-V367 HydrophobicContact CD1-CG2 3.7Å
338	T	49.8	Very low	59.1	Low	26 Å²	26	72.9 Å²	72.9	16%	0.16	43%	0.425	C	S	.	.	S	Bend	trans	-84.9	124.7	173.5	27.9	0	0	0	0	113.2	M319 E323 T340 L343 V360	M319-T338 HydrophobicContact CB-CG2 4.29Å; M319-T338 HydrophobicContact CE-CG2 4.04Å; M319-T338 HydrophobicContact CG-CG2 4.47Å; E323-T338 WeakPolarHBondContact OE1-CG2 3.23Å; E323-T338 PolarHBondContact OE1-N 3.49Å; E323-T338 PolarHBondContact OE1-OG1 3.49Å; T338-T340 PolarHBondContact O-N 2.82Å; T338-L343 HydrophobicContact CG2-CD1 4.48Å; T338-V360 HydrophobicContact CG2-CG1 4Å; T338-V360 HydrophobicContact CG2-CG2 3.98Å
339	D	45	Very low	57.1	Low	92 Å²	92	70.5 Å²	70.5	49%	0.492	42%	0.418	S	S	.	.			trans	-74.3	75.1	165.6	-66.7	-72.1	0	0	0	109.5	N341 S342 R363	D339-N341 PolarHBondContact O-N 2.69Å; D339-S342 PolarHBondContact O-N 3.07Å; D339-R363 IonicContact OD2-CZ 3.2Å; D339-R363 IonicContact OD2-NH1 2.9Å; D339-R363 PolarHBondContact OD2-NH1 3.11Å; D339-R363 IonicContact OD2-NH2 2.81Å; D339-R363 PolarHBondContact OD2-NH2 3.06Å
340	T	38.8	Very low	55	Low	83 Å²	83	71.7 Å²	71.7	51%	0.509	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-53	-38.3	-174.5	52.1	0	0	0	0	113.1	T338 S342 L343 A344	T338-T340 PolarHBondContact O-N 2.82Å; T340-S342 PolarHBondContact O-N 2.7Å; T340-L343 PolarHBondContact O-N 2.66Å; T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 2.72Å
341	N	36.5	Very low	53.1	Low	161 Å²	161	72 Å²	72	86%	0.861	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-60.5	-12	175.6	-67.4	-21.9	0	0	0	114.8	D339	D339-N341 PolarHBondContact O-N 2.69Å
342	S	38.9	Very low	51.4	Low	72 Å²	72	69.9 Å²	69.9	50%	0.503	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-108.7	5.3	176.7	-166	0	0	0	0	113	D339 T340	D339-S342 PolarHBondContact O-N 3.07Å; T340-S342 PolarHBondContact O-N 2.7Å
343	L	39.1	Very low	49.3	Very low	43 Å²	43	66 Å²	66	23%	0.225	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-27.6	179	-81.3	161.5	0	0	0	113.1	T315 T338 T340 V345 R357	T315-L343 HydrophobicContact CG2-CD2 4Å; T338-L343 HydrophobicContact CG2-CD1 4.48Å; T340-L343 PolarHBondContact O-N 2.66Å; L343-V345 VanDerWaalsContact C-N 3.25Å; L343-V345 PolarHBondContact O-N 3.5Å; L343-R357 VanDerWaalsContact CD2-NH2 3.28Å
344	A	36.3	Very low	47.5	Very low	86 Å²	86	65.4 Å²	65.4	71%	0.711	38%	0.376	S	S	*	.	S	Bend	trans	-77.1	49.3	-169.1	0	0	0	0	0	115.6	T340	T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 2.72Å
345	V	40.8	Very low	45.6	Very low	102 Å²	102	65.6 Å²	65.6	62%	0.618	38%	0.377	S	S	*	.	S	Bend	trans	-130.7	-53.5	176.2	-160.7	0	0	0	0	114.7	R161 L343	R161-V345 VanDerWaalsContact NH2-CG1 3.29Å; L343-V345 VanDerWaalsContact C-N 3.25Å; L343-V345 PolarHBondContact O-N 3.5Å
346	E	43.9	Very low	44.4	Very low	65 Å²	65	64 Å²	64	30%	0.304	38%	0.376	S	S	.	.			trans	-142.8	120.4	-177.4	-77.2	173.2	173.1	0	0	112.7	R161 D348 S351	R161-E346 WeakPolarHBondContact CD-OE1 3.38Å; R161-E346 VanDerWaalsContact CD-OE2 3.28Å; R161-E346 WeakPolarHBondContact CD-OE2 3.24Å; R161-E346 WeakPolarHBondContact CG-OE2 3.18Å; R161-E346 IonicContact CZ-OE1 2.68Å; R161-E346 VanDerWaalsContact CZ-OE1 3.23Å; R161-E346 IonicContact CZ-OE2 3.9Å; R161-E346 IonicContact NE-OE1 3.08Å; R161-E346 IonicContact NE-OE2 2.88Å; R161-E346 PolarHBondContact NE-OE2 2.71Å; R161-E346 IonicContact NH1-OE1 3.98Å; R161-E346 PolarHBondContact NH1-OE1 2.96Å; R161-E346 IonicContact NH1-OE2 3.54Å; R161-E346 PolarHBondContact NH1-OE2 3.48Å; R161-E346 IonicContact NH2-OE2 3.35Å; R161-E346 PolarHBondContact NH2-OE2 3Å; E346-D348 PolarHBondContact O-N 3.23Å; E346-S351 PolarHBondContact O-OG 2.72Å
347	D	44.6	Very low	43.9	Very low	37 Å²	37	63.3 Å²	63.3	20%	0.198	35%	0.353	C	S	.	.			trans	-77.1	58.7	175.3	-75.8	-81.2	0	0	0	111.4	Y297 K312 N313 I314 T315	Y297-D347 VanDerWaalsContact OH-C 3.31Å; Y297-D347 PolarHBondContact OH-O 3.07Å; K312-D347 WeakPolarHBondContact CA-OD2 3.41Å; N313-D347 PolarHBondContact N-OD2 2.8Å; I314-D347 PolarHBondContact N-OD1 3.44Å; T315-D347 VanDerWaalsContact CB-OD1 3.29Å; T315-D347 WeakPolarHBondContact CB-OD1 3.48Å; T315-D347 PolarHBondContact N-OD1 2.87Å; T315-D347 PolarHBondContact OG1-OD1 3.24Å
348	D	51.7	Low	43.6	Very low	36 Å²	36	67.2 Å²	67.2	19%	0.193	38%	0.375	C	S	.	.			trans	-88.4	132.2	174.5	-71.6	21.6	0	0	0	109.4	E346 E350 S351	E346-D348 PolarHBondContact O-N 3.23Å; D348-E350 PolarHBondContact O-N 2.71Å; D348-S351 WeakPolarHBondContact O-CA 3.17Å; D348-S351 WeakPolarHBondContact O-CB 3.16Å; D348-S351 PolarHBondContact O-N 2.72Å; D348-S351 PolarHBondContact O-OG 3.5Å
349	K	47.6	Very low	44.1	Very low	93 Å²	93	66.9 Å²	66.9	40%	0.404	38%	0.376	S	S	.	.	H	α-helix	trans	-50.9	-32.8	175.6	-178.7	176.1	171.4	-177.7	0	112.8	Y297 V298 V352 T353	Y297-K349 HydrophobicContact CD1-CG 4.45Å; Y297-K349 HydrophobicContact CE1-CB 3.98Å; Y297-K349 HydrophobicContact CE1-CG 4.35Å; V298-K349 HydrophobicContact CG2-CD 4.29Å; K349-V352 PolarHBondContact O-N 2.86Å; K349-T353 HydrophobicContact CG-CG2 4.27Å; K349-T353 WeakPolarHBondContact O-CB 3.16Å; K349-T353 VanDerWaalsContact O-CG2 3.28Å; K349-T353 WeakPolarHBondContact O-CG2 3.41Å; K349-T353 PolarHBondContact O-N 2.92Å; K349-T353 PolarHBondContact O-OG1 2.88Å
350	E	46.6	Very low	45.4	Very low	50 Å²	50	62.6 Å²	62.6	23%	0.234	35%	0.354	C	S	.	.	H	α-helix	trans	-69.7	-32.3	174.6	-61.8	-172	140.3	0	0	113.9	N84 Y160 D348 V352 T353 M354	N84-E350 PolarHBondContact ND2-OE1 3.35Å; Y160-E350 PolarHBondContact OH-OE2 2.69Å; D348-E350 PolarHBondContact O-N 2.71Å; E350-V352 PolarHBondContact O-N 2.81Å; E350-T353 WeakPolarHBondContact CA-OG1 3.35Å; E350-T353 PolarHBondContact O-N 3.03Å; E350-M354 WeakPolarHBondContact O-CB 3.18Å; E350-M354 PolarHBondContact O-N 2.98Å
351	S	49.3	Very low	47.4	Very low	15 Å²	15	59 Å²	59	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-18.2	177.2	88.4	0	0	0	0	112.7	E346 D348 V355	E346-S351 PolarHBondContact O-OG 2.72Å; D348-S351 WeakPolarHBondContact O-CA 3.17Å; D348-S351 WeakPolarHBondContact O-CB 3.16Å; D348-S351 PolarHBondContact O-N 2.72Å; D348-S351 PolarHBondContact O-OG 3.5Å; S351-V355 WeakPolarHBondContact O-CG2 3.48Å
352	V	47.3	Very low	49.4	Very low	24 Å²	24	52.2 Å²	52.2	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-97	-37	174.9	178.8	0	0	0	0	112.3	I293 Y297 T315 K349 E350	I293-V352 HydrophobicContact CG2-CG1 3.42Å; I293-V352 VanDerWaalsContact CG2-CG1 3.42Å; Y297-V352 HydrophobicContact CD2-CB 4.13Å; Y297-V352 HydrophobicContact CD2-CG1 3.95Å; Y297-V352 HydrophobicContact CD2-CG2 3.75Å; Y297-V352 HydrophobicContact CE2-CB 4.32Å; Y297-V352 HydrophobicContact CE2-CG2 3.6Å; Y297-V352 HydrophobicContact CG-CG1 4.28Å; T315-V352 HydrophobicContact CG2-CG2 3.78Å; K349-V352 PolarHBondContact O-N 2.86Å; E350-V352 PolarHBondContact O-N 2.81Å
353	T	41.2	Very low	51.4	Low	41 Å²	41	53.3 Å²	53.3	25%	0.252	29%	0.292	S	S	.	.	H	α-helix	trans	-88.4	-34.7	-175.3	56.8	0	0	0	0	114.8	Q294 K349 E350	Q294-T353 HydrophobicContact CG-CG2 4.03Å; K349-T353 HydrophobicContact CG-CG2 4.27Å; K349-T353 WeakPolarHBondContact O-CB 3.16Å; K349-T353 VanDerWaalsContact O-CG2 3.28Å; K349-T353 WeakPolarHBondContact O-CG2 3.41Å; K349-T353 PolarHBondContact O-N 2.92Å; K349-T353 PolarHBondContact O-OG1 2.88Å; E350-T353 WeakPolarHBondContact CA-OG1 3.35Å; E350-T353 PolarHBondContact O-N 3.03Å
354	M	42.4	Very low	53.8	Low	83 Å²	83	51.2 Å²	51.2	41%	0.409	28%	0.281	S	S	.	.	S	Bend	trans	-101.1	23.1	-164	-69.6	-67.8	-66.8	0	0	114.7	N84 E350	N84-M354 HydrophobicContact CB-CE 3.94Å; N84-M354 WeakPolarHBondContact OD1-CE 3.28Å; N84-M354 VanDerWaalsContact OD1-CG 3.27Å; N84-M354 WeakPolarHBondContact OD1-CG 3.3Å; E350-M354 WeakPolarHBondContact O-CB 3.18Å; E350-M354 PolarHBondContact O-N 2.98Å
355	V	39.2	Very low	56.3	Low	11 Å²	11	47.1 Å²	47.1	7%	0.067	25%	0.247	C	C	.	.			trans	-113.4	111.3	-175.3	-163.2	0	0	0	0	109.9	L91 S351 R357	L91-V355 HydrophobicContact CD1-CG2 3.99Å; S351-V355 WeakPolarHBondContact O-CG2 3.48Å; V355-R357 HydrophobicContact CB-CG 3.96Å; V355-R357 HydrophobicContact CG1-CG 3.78Å; V355-R357 PolarHBondContact O-N 2.88Å
356	D	41.7	Very low	58.5	Low	122 Å²	122	45.8 Å²	45.8	65%	0.652	23%	0.234	S	C	*	.			trans	-60.8	71.9	165.1	-88.8	-43.6	0	0	0	111.5	R95 D358	R95-D356 PolarHBondContact NH1-O 3.24Å; R95-D356 VanDerWaalsContact NH2-N 3.16Å; R95-D356 PolarHBondContact NH2-O 2.99Å; D356-D358 PolarHBondContact O-N 2.8Å
357	R	44.6	Very low	60.6	Low	52 Å²	52	43.5 Å²	43.5	20%	0.196	23%	0.225	C	C	.	.			trans	-76.2	91.6	179.2	-65.1	-90.6	-178.9	-173.6	-6.9	108.7	R290 L343 V355 G359 E361	R290-R357 PolarHBondContact NH2-O 2.97Å; R290-R357 VanDerWaalsContact NH2-O 3.13Å; L343-R357 VanDerWaalsContact CD2-NH2 3.28Å; V355-R357 HydrophobicContact CB-CG 3.96Å; V355-R357 HydrophobicContact CG1-CG 3.78Å; V355-R357 PolarHBondContact O-N 2.88Å; R357-G359 PolarHBondContact O-N 2.8Å; R357-E361 WeakPolarHBondContact CB-OE1 3.27Å; R357-E361 WeakPolarHBondContact CB-OE2 2.98Å
358	D	49.5	Very low	62.9	Low	118 Å²	118	41.8 Å²	41.8	63%	0.631	22%	0.215	S	C	*	.	S	Bend	trans	-71	8	146.7	-89.7	-23.9	0	0	0	111.5	D356 K786	D356-D358 PolarHBondContact O-N 2.8Å; D358-K786 IonicContact OD1-NZ 3.13Å; D358-K786 PolarHBondContact OD1-NZ 3.3Å; D358-K786 IonicContact OD2-NZ 2.67Å; D358-K786 PolarHBondContact OD2-NZ 3.21Å
359	G	61.5	Low	64.7	Low	19 Å²	19	40.6 Å²	40.6	20%	0.196	21%	0.208	C	C	.	.	S	Bend	trans	-87.6	-94.6	-178.2	0	0	0	0	0	112.9	R357 R363	R357-G359 PolarHBondContact O-N 2.8Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 VanDerWaalsContact O-CG 3.3Å; G359-R363 WeakPolarHBondContact O-CG 3.39Å; G359-R363 PolarHBondContact O-N 2.93Å
360	V	72.6	Confident	66.6	Low	2 Å²	2	40.1 Å²	40.1	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-73.8	-51.8	-166.6	-172.5	0	0	0	0	112	M319 I337 T338 G362 R363 L364	M319-V360 HydrophobicContact CE-CB 4.02Å; M319-V360 HydrophobicContact CE-CG1 3.45Å; M319-V360 VanDerWaalsContact CE-CG1 3.45Å; M319-V360 HydrophobicContact CE-CG2 4.48Å; I337-V360 HydrophobicContact CG2-CG1 4.3Å; T338-V360 HydrophobicContact CG2-CG1 4Å; T338-V360 HydrophobicContact CG2-CG2 3.98Å; V360-G362 PolarHBondContact O-N 2.88Å; V360-R363 PolarHBondContact O-N 2.95Å; V360-R363 VanDerWaalsContact O-N 3.15Å; V360-L364 HydrophobicContact CG1-CD1 3.92Å; V360-L364 HydrophobicContact CG1-CG 4.24Å; V360-L364 WeakPolarHBondContact O-CB 3.46Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.32Å; V360-L364 PolarHBondContact O-N 3.08Å
361	E	80.8	Confident	68.6	Low	8 Å²	8	40.6 Å²	40.6	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-35.3	176.2	-48.2	94.4	96.8	0	0	111.3	C286 M289 R290 I293 R357 L364 A365	C286-E361 HydrophobicContact CB-CB 4.15Å; C286-E361 PolarHBondContact SG-O 3.34Å; C286-E361 VanDerWaalsContact SG-O 3.41Å; M289-E361 HydrophobicContact CB-CB 4.24Å; M289-E361 HydrophobicContact CB-CG 4.05Å; M289-E361 HydrophobicContact SD-CB 4.08Å; R290-E361 IonicContact CZ-OE1 3.95Å; R290-E361 VanDerWaalsContact CZ-OE1 3.27Å; R290-E361 IonicContact NE-OE1 2.75Å; R290-E361 PolarHBondContact NE-OE1 3.43Å; R290-E361 IonicContact NH2-OE1 3.49Å; R290-E361 PolarHBondContact NH2-OE1 3.33Å; I293-E361 HydrophobicContact CD1-CG 3.91Å; R357-E361 WeakPolarHBondContact CB-OE1 3.27Å; R357-E361 WeakPolarHBondContact CB-OE2 2.98Å; E361-L364 PolarHBondContact O-N 2.73Å; E361-A365 VanDerWaalsContact O-CB 3.23Å; E361-A365 WeakPolarHBondContact O-CB 3.24Å; E361-A365 PolarHBondContact O-N 3.46Å
362	G	78.5	Confident	70.4	Confident	18 Å²	18	40.1 Å²	40.1	19%	0.186	21%	0.208	C	C	.	.	H	α-helix	trans	-61.5	-49.4	173.8	0	0	0	0	0	112.9	V360 A365 E366	V360-G362 PolarHBondContact O-N 2.88Å; G362-A365 PolarHBondContact O-N 2.88Å; G362-E366 PolarHBondContact O-N 3.42Å
363	R	79.5	Confident	72	Confident	94 Å²	94	43.7 Å²	43.7	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-35.8	176.4	-71.3	-174.7	-67.6	-118.2	13.6	112.6	I337 D339 G359 V360 E366 V367	I337-R363 HydrophobicContact CG2-CB 3.36Å; I337-R363 HydrophobicContact CG2-CG 4.28Å; I337-R363 VanDerWaalsContact O-CZ 3.27Å; I337-R363 PolarHBondContact O-NE 3.06Å; I337-R363 PolarHBondContact O-NH2 3.35Å; D339-R363 IonicContact OD2-CZ 3.2Å; D339-R363 IonicContact OD2-NH1 2.9Å; D339-R363 PolarHBondContact OD2-NH1 3.11Å; D339-R363 IonicContact OD2-NH2 2.81Å; D339-R363 PolarHBondContact OD2-NH2 3.06Å; G359-R363 WeakPolarHBondContact O-CB 3.48Å; G359-R363 VanDerWaalsContact O-CG 3.3Å; G359-R363 WeakPolarHBondContact O-CG 3.39Å; G359-R363 PolarHBondContact O-N 2.93Å; V360-R363 PolarHBondContact O-N 2.95Å; V360-R363 VanDerWaalsContact O-N 3.15Å; R363-E366 WeakPolarHBondContact O-CB 3.21Å; R363-E366 PolarHBondContact O-N 2.7Å; R363-V367 WeakPolarHBondContact O-CG2 3.3Å; R363-V367 PolarHBondContact O-N 2.81Å
364	L	89.4	Confident	74	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-37.7	174	-67.6	174.9	0	0	0	112.1	M289 L322 E323 I326 V334 I337 V360 E361 V367 L368	M289-L364 HydrophobicContact CE-CB 3.82Å; M289-L364 HydrophobicContact SD-CB 3.68Å; M289-L364 HydrophobicContact SD-CD1 4.24Å; L322-L364 HydrophobicContact CD2-CD1 3.67Å; L322-L364 HydrophobicContact CG-CD1 3.82Å; E323-L364 HydrophobicContact CG-CD2 4.42Å; I326-L364 HydrophobicContact CB-CD2 4.28Å; I326-L364 HydrophobicContact CG1-CB 4.42Å; I326-L364 HydrophobicContact CG1-CD1 4.27Å; I326-L364 HydrophobicContact CG1-CD2 4.32Å; I326-L364 HydrophobicContact CG2-CD2 4.14Å; V334-L364 HydrophobicContact CG1-CD2 3.44Å; V334-L364 VanDerWaalsContact CG1-CD2 3.44Å; I337-L364 HydrophobicContact CD1-CD2 4.49Å; I337-L364 HydrophobicContact CG2-CD2 4.4Å; I337-L364 HydrophobicContact CG2-CG 4.47Å; V360-L364 HydrophobicContact CG1-CD1 3.92Å; V360-L364 HydrophobicContact CG1-CG 4.24Å; V360-L364 WeakPolarHBondContact O-CB 3.46Å; V360-L364 VanDerWaalsContact O-CG 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.32Å; V360-L364 PolarHBondContact O-N 3.08Å; E361-L364 PolarHBondContact O-N 2.73Å; L364-V367 WeakPolarHBondContact O-CB 3.41Å; L364-V367 PolarHBondContact O-N 2.84Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.46Å
365	A	89.5	Confident	75.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-33.8	173	0	0	0	0	0	112.3	K282 A285 M289 E361 G362 Y369	K282-A365 HydrophobicContact CB-CB 4.32Å; K282-A365 HydrophobicContact CG-CB 4.21Å; A285-A365 HydrophobicContact CB-CB 3.82Å; M289-A365 HydrophobicContact CE-CB 4.46Å; E361-A365 VanDerWaalsContact O-CB 3.23Å; E361-A365 WeakPolarHBondContact O-CB 3.24Å; E361-A365 PolarHBondContact O-N 3.46Å; G362-A365 PolarHBondContact O-N 2.88Å; A365-Y369 VanDerWaalsContact O-CB 3.31Å; A365-Y369 WeakPolarHBondContact O-CB 3.25Å; A365-Y369 PolarHBondContact O-N 3.44Å
366	E	86.1	Confident	77.7	Confident	74 Å²	74	43.4 Å²	43.4	35%	0.346	22%	0.223	S	C	.	.	H	α-helix	trans	-63.2	-43.2	169.4	-162.4	64.4	-111.1	0	0	111.2	K282 G362 R363 Y369 N370	K282-E366 VanDerWaalsContact CE-OE1 3.26Å; K282-E366 WeakPolarHBondContact CE-OE1 3.24Å; K282-E366 VanDerWaalsContact CE-OE2 3.23Å; K282-E366 WeakPolarHBondContact CE-OE2 3.29Å; K282-E366 IonicContact NZ-OE1 2.73Å; K282-E366 PolarHBondContact NZ-OE1 2.93Å; K282-E366 IonicContact NZ-OE2 3.23Å; K282-E366 PolarHBondContact NZ-OE2 2.89Å; G362-E366 PolarHBondContact O-N 3.42Å; R363-E366 WeakPolarHBondContact O-CB 3.21Å; R363-E366 PolarHBondContact O-N 2.7Å; E366-Y369 PolarHBondContact O-N 2.85Å; E366-N370 WeakPolarHBondContact O-CB 3.38Å; E366-N370 VanDerWaalsContact O-CG 3.31Å; E366-N370 PolarHBondContact O-N 2.91Å; E366-N370 PolarHBondContact O-ND2 2.89Å
367	V	89.1	Confident	79.2	Confident	17 Å²	17	39.5 Å²	39.5	10%	0.103	20%	0.202	C	C	.	.	H	α-helix	trans	-59.7	-46.9	174.3	156.9	0	0	0	0	112.2	I326 V330 V334 I337 R363 L364 Y369 N370 K371	I326-V367 HydrophobicContact CG2-CG1 4.14Å; V330-V367 HydrophobicContact CB-CG1 4.43Å; V330-V367 HydrophobicContact CG1-CG1 3.75Å; V330-V367 HydrophobicContact CG2-CG1 4.09Å; V334-V367 HydrophobicContact CG1-CG1 4.16Å; V334-V367 HydrophobicContact CG1-CG2 4.34Å; V334-V367 HydrophobicContact CG2-CG1 4.1Å; I337-V367 HydrophobicContact CD1-CG2 3.7Å; R363-V367 WeakPolarHBondContact O-CG2 3.3Å; R363-V367 PolarHBondContact O-N 2.81Å; L364-V367 WeakPolarHBondContact O-CB 3.41Å; L364-V367 PolarHBondContact O-N 2.84Å; V367-Y369 VanDerWaalsContact C-N 3.35Å; V367-Y369 PolarHBondContact O-N 3.01Å; V367-N370 PolarHBondContact O-N 2.85Å; V367-K371 PolarHBondContact O-N 3.28Å; V367-K371 VanDerWaalsContact O-N 3.13Å
368	L	92.1	Very high	80.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-38.8	173.8	-67.9	176	0	0	0	112.4	L245 M249 F281 M289 I326 I329 V330 L364 K371 L372	L245-L368 HydrophobicContact CD1-CD1 4.22Å; L245-L368 HydrophobicContact CD2-CD1 4.04Å; M249-L368 HydrophobicContact SD-CD2 3.94Å; F281-L368 HydrophobicContact CE1-CB 3.82Å; F281-L368 HydrophobicContact CZ-CB 3.72Å; F281-L368 HydrophobicContact CZ-CD1 4.29Å; M289-L368 HydrophobicContact CE-CD1 3.42Å; M289-L368 VanDerWaalsContact CE-CD1 3.42Å; M289-L368 HydrophobicContact CE-CG 4.32Å; I326-L368 HydrophobicContact CD1-CD1 4.3Å; I326-L368 HydrophobicContact CG2-CD2 4Å; I326-L368 HydrophobicContact CG2-CG 4.16Å; I329-L368 HydrophobicContact CB-CD2 4.18Å; I329-L368 HydrophobicContact CG2-CD2 3.63Å; V330-L368 HydrophobicContact CG1-CD2 3.84Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 3.46Å; L368-K371 WeakPolarHBondContact O-CB 3.32Å; L368-K371 PolarHBondContact O-N 3.21Å; L368-L372 PolarHBondContact O-N 3.06Å
369	Y	90.4	Very high	81	Confident	12 Å²	12	39.5 Å²	39.5	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-69.9	-37.2	179.8	-171.8	-102.4	0	0	0	112.3	L256 H274 S278 F281 A365 E366 V367 K371 L372 Y373	L256-Y369 HydrophobicContact CD1-CE2 4.29Å; H274-Y369 PolarHBondContact CE1-OH 3.06Å; H274-Y369 PolarHBondContact ND1-OH 2.88Å; H274-Y369 PolarHBondContact O-OH 3.36Å; S278-Y369 WeakPolarHBondContact CB-OH 3.27Å; S278-Y369 VanDerWaalsContact OG-CD1 3.31Å; S278-Y369 WeakPolarHBondContact OG-CD1 3.48Å; S278-Y369 WeakPolarHBondContact OG-CE1 3.33Å; S278-Y369 VanDerWaalsContact OG-CZ 3.22Å; F281-Y369 HydrophobicContact CB-CD2 4.34Å; F281-Y369 AromaticContact CD1-CD2 3.66Å; F281-Y369 HydrophobicContact CD1-CD2 3.66Å; F281-Y369 HydrophobicContact CD1-CG 4.21Å; F281-Y369 HydrophobicContact CE1-CD2 4.32Å; F281-Y369 HydrophobicContact CG-CD2 4.18Å; A365-Y369 VanDerWaalsContact O-CB 3.31Å; A365-Y369 WeakPolarHBondContact O-CB 3.25Å; A365-Y369 PolarHBondContact O-N 3.44Å; E366-Y369 PolarHBondContact O-N 2.85Å; V367-Y369 VanDerWaalsContact C-N 3.35Å; V367-Y369 PolarHBondContact O-N 3.01Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 2.81Å; Y369-L372 HydrophobicContact CD2-CD1 4.37Å; Y369-L372 WeakPolarHBondContact O-CB 3.47Å; Y369-L372 PolarHBondContact O-N 2.89Å; Y369-Y373 WeakPolarHBondContact O-CB 3.11Å; Y369-Y373 PolarHBondContact O-N 2.95Å
370	N	87.1	Confident	80.7	Confident	83 Å²	83	41.1 Å²	41.1	44%	0.444	21%	0.211	S	C	.	.	H	α-helix	trans	-66.1	-34.5	173.6	-73.8	-40	0	0	0	112	E366 V367 Y373 S374	E366-N370 WeakPolarHBondContact O-CB 3.38Å; E366-N370 VanDerWaalsContact O-CG 3.31Å; E366-N370 PolarHBondContact O-N 2.91Å; E366-N370 PolarHBondContact O-ND2 2.89Å; V367-N370 PolarHBondContact O-N 2.85Å; N370-Y373 PolarHBondContact O-N 2.9Å; N370-S374 VanDerWaalsContact O-CB 3.32Å; N370-S374 WeakPolarHBondContact O-CB 3.47Å; N370-S374 PolarHBondContact O-N 2.83Å
371	K	88.9	Confident	79.3	Confident	60 Å²	60	47.7 Å²	47.7	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-51.2	169.9	175	55.7	175.1	146.4	0	111.1	M249 V330 V367 L368 Y369 Y373 S374 D375	M249-K371 HydrophobicContact CE-CG 4.16Å; V330-K371 HydrophobicContact CB-CB 4.37Å; V330-K371 HydrophobicContact CB-CG 4.4Å; V330-K371 HydrophobicContact CG1-CB 3.93Å; V330-K371 HydrophobicContact CG1-CG 4.23Å; V367-K371 PolarHBondContact O-N 3.28Å; V367-K371 VanDerWaalsContact O-N 3.13Å; L368-K371 WeakPolarHBondContact O-CB 3.32Å; L368-K371 PolarHBondContact O-N 3.21Å; Y369-K371 VanDerWaalsContact C-N 3.32Å; Y369-K371 PolarHBondContact O-N 2.81Å; K371-Y373 VanDerWaalsContact C-N 3.34Å; K371-Y373 PolarHBondContact O-N 3.45Å; K371-S374 WeakPolarHBondContact O-CB 3.41Å; K371-S374 PolarHBondContact O-N 3.33Å; K371-D375 WeakPolarHBondContact CD-OD2 3.46Å; K371-D375 WeakPolarHBondContact CE-OD2 3.34Å; K371-D375 IonicContact NZ-OD1 3.5Å; K371-D375 PolarHBondContact NZ-OD1 3.19Å; K371-D375 IonicContact NZ-OD2 3.44Å; K371-D375 PolarHBondContact NZ-OD2 3.11Å; K371-D375 VanDerWaalsContact O-CG 3.31Å; K371-D375 PolarHBondContact O-N 3.48Å
372	L	86.9	Confident	77.4	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-53.5	-47.2	173.8	-80	175.2	0	0	0	113.2	M249 T252 L253 F281 L368 Y369 D375 L376	M249-L372 HydrophobicContact CB-CD1 4.37Å; M249-L372 HydrophobicContact CB-CD2 3.82Å; M249-L372 HydrophobicContact CB-CG 4.31Å; M249-L372 HydrophobicContact CE-CD2 4.15Å; M249-L372 HydrophobicContact CE-CG 4.11Å; M249-L372 HydrophobicContact CG-CD1 4.05Å; M249-L372 HydrophobicContact CG-CD2 4.12Å; M249-L372 HydrophobicContact CG-CG 4.06Å; M249-L372 WeakPolarHBondContact O-CD2 3.43Å; T252-L372 HydrophobicContact CG2-CD1 3.86Å; L253-L372 HydrophobicContact CB-CD2 4.19Å; F281-L372 HydrophobicContact CD1-CD1 4.39Å; F281-L372 HydrophobicContact CD2-CD1 3.99Å; F281-L372 HydrophobicContact CE1-CD1 4.15Å; F281-L372 HydrophobicContact CE2-CD1 3.72Å; F281-L372 HydrophobicContact CG-CD1 4.31Å; F281-L372 HydrophobicContact CZ-CD1 3.8Å; L368-L372 PolarHBondContact O-N 3.06Å; Y369-L372 HydrophobicContact CD2-CD1 4.37Å; Y369-L372 WeakPolarHBondContact O-CB 3.47Å; Y369-L372 PolarHBondContact O-N 2.89Å; L372-D375 PolarHBondContact O-N 3.28Å; L372-L376 WeakPolarHBondContact O-CB 3.11Å; L372-L376 PolarHBondContact O-N 3.28Å
373	Y	81.6	Confident	75.6	Confident	98 Å²	98	58.9 Å²	58.9	38%	0.384	30%	0.296	S	S	.	.	H	α-helix	trans	-71.6	-31.7	-177.7	-172	-120.1	0	0	0	112.4	H274 Y369 N370 K371 L376 N377	H274-Y373 AromaticContact CE1-CD2 3.35Å; H274-Y373 WeakPolarHBondContact CE1-CD2 3.19Å; H274-Y373 AromaticContact CE1-CE2 3.33Å; H274-Y373 WeakPolarHBondContact CE1-CE2 3.19Å; H274-Y373 AromaticContact NE2-CD2 3.42Å; H274-Y373 WeakPolarHBondContact NE2-CD2 3.39Å; H274-Y373 AromaticContact NE2-CE2 3.27Å; H274-Y373 VanDerWaalsContact NE2-CE2 3.27Å; H274-Y373 WeakPolarHBondContact NE2-CE2 3.46Å; Y369-Y373 WeakPolarHBondContact O-CB 3.11Å; Y369-Y373 PolarHBondContact O-N 2.95Å; N370-Y373 PolarHBondContact O-N 2.9Å; K371-Y373 VanDerWaalsContact C-N 3.34Å; K371-Y373 PolarHBondContact O-N 3.45Å; Y373-L376 HydrophobicContact CD2-CD2 4.35Å; Y373-N377 VanDerWaalsContact CE1-ND2 3.32Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.05Å; Y373-N377 VanDerWaalsContact CE2-ND2 3.31Å; Y373-N377 WeakPolarHBondContact CE2-ND2 3.47Å; Y373-N377 WeakPolarHBondContact O-CB 3.37Å; Y373-N377 PolarHBondContact O-N 3.14Å; Y373-N377 VanDerWaalsContact O-N 3.14Å; Y373-N377 PolarHBondContact O-ND2 3.44Å
374	S	81.5	Confident	73.5	Confident	75 Å²	75	58.5 Å²	58.5	52%	0.524	30%	0.304	S	S	.	.	H	α-helix	trans	-62.8	-47.7	170.4	-168.4	0	0	0	0	111.2	N370 K371 L376 N377 S378	N370-S374 VanDerWaalsContact O-CB 3.32Å; N370-S374 WeakPolarHBondContact O-CB 3.47Å; N370-S374 PolarHBondContact O-N 2.83Å; K371-S374 WeakPolarHBondContact O-CB 3.41Å; K371-S374 PolarHBondContact O-N 3.33Å; S374-L376 PolarHBondContact O-N 3.35Å; S374-N377 PolarHBondContact O-N 2.99Å; S374-N377 VanDerWaalsContact O-N 3.13Å; S374-S378 PolarHBondContact O-N 2.81Å
375	D	81.5	Confident	70.8	Confident	51 Å²	51	67.8 Å²	67.8	27%	0.273	34%	0.344	S	S	.	.	H	α-helix	trans	-68	-35.4	-179	-63.6	-23.4	0	0	0	112.3	K371 L372 N377 S378 M379	K371-D375 WeakPolarHBondContact CD-OD2 3.46Å; K371-D375 WeakPolarHBondContact CE-OD2 3.34Å; K371-D375 IonicContact NZ-OD1 3.5Å; K371-D375 PolarHBondContact NZ-OD1 3.19Å; K371-D375 IonicContact NZ-OD2 3.44Å; K371-D375 PolarHBondContact NZ-OD2 3.11Å; K371-D375 VanDerWaalsContact O-CG 3.31Å; K371-D375 PolarHBondContact O-N 3.48Å; L372-D375 PolarHBondContact O-N 3.28Å; D375-N377 VanDerWaalsContact C-N 3.32Å; D375-N377 PolarHBondContact O-N 2.85Å; D375-S378 PolarHBondContact O-OG 3.04Å; D375-M379 WeakPolarHBondContact O-CG 3.39Å; D375-M379 PolarHBondContact O-N 2.96Å
376	L	77.9	Confident	68.2	Low	3 Å²	3	76.4 Å²	76.4	2%	0.016	38%	0.381	C	S	.	.	H	α-helix	trans	-62.3	-38.8	170.9	-178.6	63.6	0	0	0	112	L253 L256 L372 Y373 S374 K380	L253-L376 HydrophobicContact CD1-CB 4.1Å; L253-L376 HydrophobicContact CD1-CD1 4.11Å; L256-L376 HydrophobicContact CB-CD2 3.93Å; L256-L376 HydrophobicContact CD1-CD2 4.07Å; L372-L376 WeakPolarHBondContact O-CB 3.11Å; L372-L376 PolarHBondContact O-N 3.28Å; Y373-L376 HydrophobicContact CD2-CD2 4.35Å; S374-L376 PolarHBondContact O-N 3.35Å; L376-K380 WeakPolarHBondContact O-CG 3.46Å; L376-K380 PolarHBondContact O-N 3.28Å
377	N	73.9	Confident	65.4	Low	40 Å²	40	80 Å²	80	21%	0.214	40%	0.403	C	S	.	.	H	α-helix	trans	-82	-25.4	-178	-71.8	-50.7	0	0	0	113.7	Y373 S374 D375 K380 Q381	Y373-N377 VanDerWaalsContact CE1-ND2 3.32Å; Y373-N377 WeakPolarHBondContact CE1-ND2 3.05Å; Y373-N377 VanDerWaalsContact CE2-ND2 3.31Å; Y373-N377 WeakPolarHBondContact CE2-ND2 3.47Å; Y373-N377 WeakPolarHBondContact O-CB 3.37Å; Y373-N377 PolarHBondContact O-N 3.14Å; Y373-N377 VanDerWaalsContact O-N 3.14Å; Y373-N377 PolarHBondContact O-ND2 3.44Å; S374-N377 PolarHBondContact O-N 2.99Å; S374-N377 VanDerWaalsContact O-N 3.13Å; D375-N377 VanDerWaalsContact C-N 3.32Å; D375-N377 PolarHBondContact O-N 2.85Å; N377-K380 PolarHBondContact O-N 2.94Å; N377-K380 WeakPolarHBondContact OD1-CD 3.46Å; N377-K380 PolarHBondContact OD1-NZ 2.96Å; N377-Q381 PolarHBondContact O-N 2.86Å; N377-Q381 VanDerWaalsContact O-N 3.15Å
378	S	71.1	Confident	62.4	Low	64 Å²	64	83.7 Å²	83.7	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-66.2	-45.1	170.8	63.6	0	0	0	0	111	S374 D375 K380 Q381 E382	S374-S378 PolarHBondContact O-N 2.81Å; D375-S378 PolarHBondContact O-OG 3.04Å; S378-K380 PolarHBondContact O-N 2.9Å; S378-Q381 PolarHBondContact O-N 3.25Å; S378-E382 PolarHBondContact O-N 3.3Å
379	M	60.8	Low	59.4	Low	107 Å²	107	92.1 Å²	92.1	53%	0.527	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-33.2	172.7	-65.9	-177	78.2	0	0	113.1	D375 T383	D375-M379 WeakPolarHBondContact O-CG 3.39Å; D375-M379 PolarHBondContact O-N 2.96Å; M379-T383 PolarHBondContact O-OG1 2.91Å
380	K	54.8	Low	56.6	Low	52 Å²	52	100.1 Å²	100.1	23%	0.226	50%	0.503	C	S	.	.	H	α-helix	trans	-68.8	-37.9	172.5	-71.6	174.2	-164.8	162.5	0	113	E260 L376 N377 S378 E382 T383 V384	E260-K380 VanDerWaalsContact CD-CE 3.41Å; E260-K380 VanDerWaalsContact CD-NZ 3.33Å; E260-K380 VanDerWaalsContact OE1-CE 3.26Å; E260-K380 WeakPolarHBondContact OE1-CE 3.2Å; E260-K380 IonicContact OE1-NZ 2.66Å; E260-K380 PolarHBondContact OE1-NZ 3Å; E260-K380 WeakPolarHBondContact OE2-CE 3.41Å; E260-K380 IonicContact OE2-NZ 3.47Å; E260-K380 PolarHBondContact OE2-NZ 2.85Å; L376-K380 WeakPolarHBondContact O-CG 3.46Å; L376-K380 PolarHBondContact O-N 3.28Å; N377-K380 PolarHBondContact O-N 2.94Å; N377-K380 WeakPolarHBondContact OD1-CD 3.46Å; N377-K380 PolarHBondContact OD1-NZ 2.96Å; S378-K380 PolarHBondContact O-N 2.9Å; K380-E382 PolarHBondContact O-N 3.27Å; K380-T383 WeakPolarHBondContact CA-OG1 3.39Å; K380-T383 PolarHBondContact O-N 2.86Å; K380-T383 VanDerWaalsContact O-N 3.07Å; K380-T383 PolarHBondContact O-OG1 3.39Å; K380-T383 VanDerWaalsContact O-OG1 3.1Å; K380-V384 HydrophobicContact CB-CG2 4.26Å; K380-V384 VanDerWaalsContact O-CB 3.3Å; K380-V384 WeakPolarHBondContact O-CB 3.36Å; K380-V384 VanDerWaalsContact O-CG2 3.31Å; K380-V384 WeakPolarHBondContact O-CG2 3.2Å; K380-V384 PolarHBondContact O-N 3.1Å
381	Q	43.8	Very low	53.7	Low	140 Å²	140	100.8 Å²	100.8	65%	0.654	52%	0.52	S	S	*	.	H	α-helix	trans	-69.6	-21.5	-175.8	-71.9	-174.2	18.9	0	0	113.2	N377 S378 K385	N377-Q381 PolarHBondContact O-N 2.86Å; N377-Q381 VanDerWaalsContact O-N 3.15Å; S378-Q381 PolarHBondContact O-N 3.25Å; Q381-K385 WeakPolarHBondContact O-CG 3.14Å
382	E	40.7	Very low	50.9	Low	166 Å²	166	103.8 Å²	103.8	78%	0.776	55%	0.549	S	S	*	.	H	α-helix	trans	-75.7	-30.5	169.8	-60.5	-167.6	130.9	0	0	113	S378 K380	S378-E382 PolarHBondContact O-N 3.3Å; K380-E382 PolarHBondContact O-N 3.27Å
383	T	40.3	Very low	48	Very low	95 Å²	95	109 Å²	109	58%	0.583	59%	0.586	S	S	*	*	H	α-helix	trans	-93.3	-39.5	-178.4	46.2	0	0	0	0	113.7	M379 K380 K385 K386	M379-T383 PolarHBondContact O-OG1 2.91Å; K380-T383 WeakPolarHBondContact CA-OG1 3.39Å; K380-T383 PolarHBondContact O-N 2.86Å; K380-T383 VanDerWaalsContact O-N 3.07Å; K380-T383 PolarHBondContact O-OG1 3.39Å; K380-T383 VanDerWaalsContact O-OG1 3.1Å; T383-K385 VanDerWaalsContact C-N 3.35Å; T383-K385 PolarHBondContact O-N 3.21Å; T383-K386 WeakPolarHBondContact O-CB 3.34Å; T383-K386 PolarHBondContact O-N 3.24Å
384	V	35.2	Very low	46	Very low	87 Å²	87	110.4 Å²	110.4	53%	0.527	61%	0.607	S	S	.	*	H	α-helix	trans	-76.4	-18	-174.3	176.3	0	0	0	0	113.1	K380 K386 L387	K380-V384 HydrophobicContact CB-CG2 4.26Å; K380-V384 VanDerWaalsContact O-CB 3.3Å; K380-V384 WeakPolarHBondContact O-CB 3.36Å; K380-V384 VanDerWaalsContact O-CG2 3.31Å; K380-V384 WeakPolarHBondContact O-CG2 3.2Å; K380-V384 PolarHBondContact O-N 3.1Å; V384-K386 PolarHBondContact O-N 3.21Å; V384-L387 PolarHBondContact O-N 3.36Å
385	K	33.1	Very low	43.4	Very low	194 Å²	194	113 Å²	113	84%	0.843	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-9.9	166	-87.3	179.7	178.2	173	0	114	Q381 T383	Q381-K385 WeakPolarHBondContact O-CG 3.14Å; T383-K385 VanDerWaalsContact C-N 3.35Å; T383-K385 PolarHBondContact O-N 3.21Å
386	K	35.3	Very low	40.8	Very low	181 Å²	181	115.5 Å²	115.5	79%	0.787	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	-21.1	-175.6	-129	171.5	-173.5	175.7	0	115.1	T383 V384	T383-K386 WeakPolarHBondContact O-CB 3.34Å; T383-K386 PolarHBondContact O-N 3.24Å; V384-K386 PolarHBondContact O-N 3.21Å
387	L	27.4	Very low	38.4	Very low	151 Å²	151	120.7 Å²	120.7	79%	0.791	67%	0.673	S	S	*	*			trans	-148	117.9	175.2	-81	101.3	0	0	0	111.9	V384	V384-L387 PolarHBondContact O-N 3.36Å
388	S	25.5	Very low	36.2	Very low	93 Å²	93	125.5 Å²	125.5	65%	0.65	70%	0.699	S	S	*	*			trans	-141.5	139.1	160.8	59.9	0	0	0	0	109
389	F	30.5	Very low	34.2	Very low	177 Å²	177	126.4 Å²	126.4	78%	0.776	70%	0.701	S	S	*	*			trans	177.6	124.6	131.2	-97.1	-62.5	0	0	0	112.4
390	Q	30.7	Very low	32.7	Very low	180 Å²	180	127.7 Å²	127.7	84%	0.841	71%	0.711	S	S	*	*			trans	63.4	145.3	148.3	-76.9	159.3	-8.3	0	0	122.1
391	A	26.8	Very low	31.4	Very low	97 Å²	97	128.7 Å²	128.7	80%	0.802	72%	0.718	S	S	*	*			trans	-146	160.5	173.1	0	0	0	0	0	108.6
392	S	28.8	Very low	30.7	Very low	124 Å²	124	128.4 Å²	128.4	87%	0.867	72%	0.721	S	S	*	*			trans	-170.6	-178.8	157.5	49.4	0	0	0	0	111.2
393	S	27.5	Very low	30	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	72%	0.722	S	S	*	*			trans	-134.2	165	-138.9	-54.6	0	0	0	0	115
394	P	38.8	Very low	29.5	Very low	128 Å²	128	129.9 Å²	129.9	83%	0.831	73%	0.731	S	S	*	*			trans	-97.9	179.4	-172.4	40.1	-37.4	0	0	0	114.9
395	V	26.2	Very low	29.2	Very low	131 Å²	131	129.3 Å²	129.3	79%	0.794	73%	0.731	S	S	*	*			trans	-142.2	126.1	-175.5	171.8	0	0	0	0	112.5
396	S	27.9	Very low	29	Very low	103 Å²	103	123.4 Å²	123.4	72%	0.72	71%	0.705	S	S	*	*			trans	36.8	161.9	139.1	-53	0	0	0	0	124.5
397	T	28.4	Very low	28.6	Very low	111 Å²	111	120.5 Å²	120.5	68%	0.681	70%	0.698	S	S	*	*			cis	-166.6	164.5	-32.8	34	0	0	0	0	108.5
398	D	27.1	Very low	28.5	Very low	141 Å²	141	122.5 Å²	122.5	75%	0.754	70%	0.701	S	S	*	*				144	154.6	122.9	-86.4	-57.8	0	0	0	120
399	T	28.6	Very low	28.7	Very low	83 Å²	83	123.5 Å²	123.5	51%	0.509	70%	0.698	S	S	.	*			trans	-79	161.1	-155.9	54.1	0	0	0	0	117.7
400	N	30.2	Very low	28.4	Very low	135 Å²	135	121.9 Å²	121.9	72%	0.722	70%	0.703	S	S	*	*				-167.4	166.6	111.9	-101.1	-64.1	0	0	0	113
401	L	27.2	Very low	28.3	Very low	72 Å²	72	121.3 Å²	121.3	38%	0.377	70%	0.7	S	S	.	*			trans	-108	163.6	-174.3	-67.2	66.4	0	0	0	112.5	I579	L401-I579 HydrophobicContact CD1-CD1 4.11Å; L401-I579 HydrophobicContact CD1-CG1 4.09Å; L401-I579 HydrophobicContact CD1-CG2 4.47Å; L401-I579 HydrophobicContact CD2-CD1 3.51Å; L401-I579 HydrophobicContact CD2-CG1 4.38Å; L401-I579 HydrophobicContact CG-CD1 3.79Å; L401-I579 HydrophobicContact CG-CG1 4.24Å
402	N	28.6	Very low	28.3	Very low	135 Å²	135	121.4 Å²	121.4	72%	0.722	69%	0.694	S	S	*	*				-176.1	134.1	115.5	-101.7	-64.9	0	0	0	115.9
403	K	26.8	Very low	28.3	Very low	181 Å²	181	121.5 Å²	121.5	79%	0.787	69%	0.685	S	S	*	*			trans	34.9	125.8	147.5	-62.5	174.7	179.4	178.2	0	121.4
404	S	28.7	Very low	28.6	Very low	110 Å²	110	123.4 Å²	123.4	77%	0.769	68%	0.681	S	S	*	*				-170.4	145.2	109.1	50.9	0	0	0	0	116.4
405	S	29.7	Very low	28.6	Very low	76 Å²	76	124.4 Å²	124.4	53%	0.531	68%	0.68	S	S	.	*			trans	1	138.1	153.9	-47.1	0	0	0	0	122.2
406	F	27.7	Very low	29.8	Very low	70 Å²	70	123.4 Å²	123.4	31%	0.307	67%	0.67	S	S	.	*			trans	-97.8	117.1	161.8	-102.7	-101.5	0	0	0	108.5	E432 L643 N644	F406-E432 HydrophobicContact CE1-CG 4.39Å; F406-E432 WeakPolarHBondContact CE1-OE2 3.43Å; F406-L643 HydrophobicContact CD2-CD1 4.36Å; F406-L643 HydrophobicContact CE2-CD1 3.55Å; F406-L643 HydrophobicContact CZ-CD1 3.86Å; F406-N644 PolarHBondContact N-ND2 2.99Å
407	N	27.3	Very low	31.7	Very low	119 Å²	119	123.7 Å²	123.7	64%	0.636	66%	0.663	S	S	*	*			trans	-109.9	137.1	168.7	-70.7	-13.9	0	0	0	109.5	I409	N407-I409 HydrophobicContact CB-CD1 3.92Å; N407-I409 HydrophobicContact CB-CG1 3.93Å; N407-I409 PolarHBondContact O-N 3.44Å; N407-I409 VanDerWaalsContact O-N 3.08Å
408	F	26.4	Very low	34.3	Very low	194 Å²	194	124.4 Å²	124.4	85%	0.851	66%	0.657	S	S	*	*			trans	-70.3	97.9	163.6	-95.8	-94	0	0	0	108.8	P650	F408-P650 HydrophobicContact CD2-CG 4.15Å; F408-P650 HydrophobicContact CE2-CG 4.04Å
409	I	28.7	Very low	37.2	Very low	114 Å²	114	121 Å²	121	59%	0.585	64%	0.636	S	S	*	*			trans	-126.5	106.3	174.2	-64.1	178.1	0	0	0	109.2	N407 E411	N407-I409 HydrophobicContact CB-CD1 3.92Å; N407-I409 HydrophobicContact CB-CG1 3.93Å; N407-I409 PolarHBondContact O-N 3.44Å; N407-I409 VanDerWaalsContact O-N 3.08Å; I409-E411 VanDerWaalsContact C-N 3.26Å; I409-E411 HydrophobicContact CG2-CB 3.7Å; I409-E411 PolarHBondContact O-N 3.31Å
410	T	25	Very low	40.1	Very low	143 Å²	143	124 Å²	124	88%	0.877	65%	0.645	S	S	*	*			trans	-80.6	72.2	164.2	46	0	0	0	0	109.4
411	E	27.1	Very low	43	Very low	168 Å²	168	118.7 Å²	118.7	79%	0.785	62%	0.616	S	S	*	*	S	Bend	trans	-155.1	163.4	175	-118.4	152.2	-138.1	0	0	111.9	I409 D413	I409-E411 VanDerWaalsContact C-N 3.26Å; I409-E411 HydrophobicContact CG2-CB 3.7Å; I409-E411 PolarHBondContact O-N 3.31Å; E411-D413 PolarHBondContact O-N 3.46Å
412	S	26.8	Very low	45.9	Very low	98 Å²	98	117.8 Å²	117.8	69%	0.685	62%	0.616	S	S	*	*			trans	-83.3	94.5	-159.3	54.8	0	0	0	0	114.5	H414	S412-H414 PolarHBondContact O-N 2.9Å
413	D	29.5	Very low	48.8	Very low	126 Å²	126	111.9 Å²	111.9	67%	0.674	59%	0.585	S	S	*	*			trans	-94.9	76.6	168.3	-160.9	-0.3	0	0	0	111.3	E411 N415	E411-D413 PolarHBondContact O-N 3.46Å; D413-N415 VanDerWaalsContact C-N 3.34Å; D413-N415 PolarHBondContact O-N 3.38Å
414	H	33.4	Very low	51.6	Low	154 Å²	154	106.3 Å²	106.3	71%	0.713	56%	0.563	S	S	*	*			trans	-86.5	4.7	-163.6	-130.7	-57.7	0	0	0	115.2	S412	S412-H414 PolarHBondContact O-N 2.9Å
415	N	40.1	Very low	54.3	Low	149 Å²	149	103.6 Å²	103.6	80%	0.797	54%	0.538	S	S	*	.	S	Bend	trans	-126.5	-9.9	-169.2	-91.4	-28.6	0	0	0	116.5	D413	D413-N415 VanDerWaalsContact C-N 3.34Å; D413-N415 PolarHBondContact O-N 3.38Å
416	N	51.6	Low	56.9	Low	110 Å²	110	100.6 Å²	100.6	59%	0.588	52%	0.519	S	S	*	.			trans	-103.5	85.3	179.2	-85	-39.9	0	0	0	112.8	K418	N416-K418 PolarHBondContact O-N 2.73Å
417	N	67.4	Low	59.7	Low	108 Å²	108	99.7 Å²	99.7	58%	0.578	52%	0.515	S	S	*	.			trans	-73.5	-0.6	179	-72.8	-16.3	0	0	0	114.8	E573	N417-E573 WeakPolarHBondContact O-CB 3.4Å; N417-E573 PolarHBondContact O-N 3.44Å
418	K	82.3	Confident	62.7	Low	126 Å²	126	94.4 Å²	94.4	55%	0.548	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141	179.9	-61.6	-171.9	177.6	-176.6	0	111	N416 E573	N416-K418 PolarHBondContact O-N 2.73Å; K418-E573 CarbonylContact C-O 3.52Å; K418-E573 WeakPolarHBondContact CA-O 3.35Å; K418-E573 WeakPolarHBondContact CE-OE2 3.33Å; K418-E573 HydrophobicContact CG-CB 4.16Å; K418-E573 HydrophobicContact CG-CG 4.41Å
419	H	88.1	Confident	65.8	Low	70 Å²	70	85.7 Å²	85.7	32%	0.324	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121	177.5	-171.8	-158	0	0	0	110.8	E573 F574 I575	H419-E573 PolarHBondContact N-O 2.95Å; H419-F574 HydrophobicContact CB-CD1 3.9Å; H419-F574 HydrophobicContact CB-CE1 4.19Å; H419-F574 AromaticContact ND1-CD1 3.84Å; H419-F574 AromaticContact ND1-CE1 3.7Å; H419-F574 CarbonylContact O-C 3.51Å; H419-F574 VanDerWaalsContact O-CA 3.22Å; H419-F574 WeakPolarHBondContact O-CA 3.24Å; H419-I575 PolarHBondContact O-N 3.43Å
420	E	89.6	Confident	68.8	Low	147 Å²	147	82 Å²	82	69%	0.687	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.7	-178.8	-51.4	-162.7	156.5	0	0	110.8	I575	E420-I575 WeakPolarHBondContact CA-O 3.44Å; E420-I575 HydrophobicContact CG-CB 4.19Å; E420-I575 HydrophobicContact CG-CD1 4.35Å
421	L	90.2	Very high	72.1	Confident	22 Å²	22	75.2 Å²	75.2	12%	0.115	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.3	-175	-66.9	174.4	0	0	0	110.4	I429 M431 F574 I575 L576 Q577	L421-I429 HydrophobicContact CD1-CD1 4.46Å; L421-I429 HydrophobicContact CD1-CG1 4.36Å; L421-M431 HydrophobicContact CD1-CB 4.49Å; L421-M431 HydrophobicContact CD1-CG 3.48Å; L421-M431 VanDerWaalsContact CD1-CG 3.48Å; L421-F574 HydrophobicContact CD1-CD1 4.2Å; L421-I575 PolarHBondContact N-O 3.44Å; L421-L576 HydrophobicContact CB-CD1 4.18Å; L421-L576 WeakPolarHBondContact O-CA 3.45Å; L421-Q577 PolarHBondContact O-N 3.42Å
422	S	89.4	Confident	75.1	Confident	53 Å²	53	69.2 Å²	69.2	37%	0.371	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129	177.8	67.6	0	0	0	0	111.2	Q577	S422-Q577 WeakPolarHBondContact CA-O 3.36Å
423	V	88.4	Confident	78.2	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.067	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.2	178.9	67.7	0	0	0	0	111.4	F427 I429 L576 Q577 V578 I579	V423-F427 HydrophobicContact CG2-CB 3.87Å; V423-I429 HydrophobicContact CB-CB 4.04Å; V423-I429 HydrophobicContact CB-CG1 4.41Å; V423-I429 HydrophobicContact CG1-CB 4.2Å; V423-I429 HydrophobicContact CG1-CG2 4.14Å; V423-I429 HydrophobicContact CG2-CB 4.03Å; V423-L576 HydrophobicContact CG1-CD1 3.93Å; V423-Q577 PolarHBondContact N-O 2.86Å; V423-V578 HydrophobicContact CG1-CB 4.43Å; V423-V578 HydrophobicContact CG1-CG1 4.34Å; V423-V578 HydrophobicContact CG1-CG2 3.89Å; V423-V578 CarbonylContact O-C 3.44Å; V423-V578 WeakPolarHBondContact O-CA 3.49Å; V423-I579 PolarHBondContact O-N 2.95Å
424	I	86.2	Confident	81	Confident	64 Å²	64	63.7 Å²	63.7	33%	0.328	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	141.3	173.9	-57.7	174.3	0	0	0	109.3	G426 F427	I424-G426 PolarHBondContact O-N 3.48Å; I424-F427 HydrophobicContact CB-CD2 3.73Å; I424-F427 HydrophobicContact CB-CE2 4.25Å; I424-F427 HydrophobicContact CB-CG 4.32Å; I424-F427 HydrophobicContact CG2-CD2 3.87Å; I424-F427 HydrophobicContact CG2-CE2 4.05Å; I424-F427 WeakPolarHBondContact O-CB 3.35Å; I424-F427 PolarHBondContact O-N 3.09Å
425	E	86.2	Confident	83.6	Confident	54 Å²	54	56.6 Å²	56.6	25%	0.252	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	134.9	174.2	-177.9	158.9	-132.9	0	0	111.8	F427 S545 L547 V578 I579	E425-F427 VanDerWaalsContact C-N 3.32Å; E425-F427 PolarHBondContact O-N 2.84Å; E425-S545 CarbonylContact C-O 3.56Å; E425-S545 WeakPolarHBondContact CA-O 3.49Å; E425-L547 PolarHBondContact OE1-N 2.87Å; E425-V578 HydrophobicContact CB-CG1 4.24Å; E425-I579 PolarHBondContact N-O 2.67Å
426	G	83.2	Confident	85.9	Confident	12 Å²	12	51.5 Å²	51.5	12%	0.124	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-26.8	-170.7	0	0	0	0	0	114.9	I424 A544 S545 P622	I424-G426 PolarHBondContact O-N 3.48Å; G426-A544 WeakPolarHBondContact O-CA 3.33Å; G426-S545 PolarHBondContact N-O 2.86Å; G426-P622 WeakPolarHBondContact O-CG 3.26Å
427	F	87	Confident	87.5	Confident	51 Å²	51	47 Å²	47	22%	0.224	24%	0.241	C	C	.	.	S	Bend	trans	-81.6	155.4	-175.3	-73.6	-107.2	0	0	0	113	V423 I424 E425 S545 N621 P622	V423-F427 HydrophobicContact CG2-CB 3.87Å; I424-F427 HydrophobicContact CB-CD2 3.73Å; I424-F427 HydrophobicContact CB-CE2 4.25Å; I424-F427 HydrophobicContact CB-CG 4.32Å; I424-F427 HydrophobicContact CG2-CD2 3.87Å; I424-F427 HydrophobicContact CG2-CE2 4.05Å; I424-F427 WeakPolarHBondContact O-CB 3.35Å; I424-F427 PolarHBondContact O-N 3.09Å; E425-F427 VanDerWaalsContact C-N 3.32Å; E425-F427 PolarHBondContact O-N 2.84Å; F427-S545 WeakPolarHBondContact O-CB 3.46Å; F427-S545 PolarHBondContact O-N 3.29Å; F427-S545 VanDerWaalsContact O-N 3.13Å; F427-S545 PolarHBondContact O-OG 3.21Å; F427-N621 WeakPolarHBondContact CZ-OD1 3.21Å; F427-P622 HydrophobicContact CB-CB 4.37Å; F427-P622 HydrophobicContact CD1-CB 3.63Å; F427-P622 HydrophobicContact CD2-CB 4.02Å; F427-P622 HydrophobicContact CE1-CB 3.78Å; F427-P622 HydrophobicContact CE2-CB 4.16Å; F427-P622 HydrophobicContact CG-CB 3.75Å; F427-P622 HydrophobicContact CZ-CB 4.05Å
428	P	89.8	Confident	88.3	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.052	23%	0.228	C	C	.	.			trans	-77.4	146.1	175.8	31.1	-35.3	0	0	0	112.9	I542 W543 I623 P641	P428-I542 CarbonylContact C-O 3.57Å; P428-I542 WeakPolarHBondContact CA-O 3.23Å; P428-W543 HydrophobicContact CB-CE3 4.24Å; P428-I623 HydrophobicContact CG-CB 3.93Å; P428-I623 HydrophobicContact CG-CD1 4.19Å; P428-I623 HydrophobicContact CG-CG2 4.06Å; P428-P641 HydrophobicContact CB-CB 4.05Å; P428-P641 HydrophobicContact CG-CB 4.2Å
429	I	91.7	Very high	88.2	Confident	11 Å²	11	43.2 Å²	43.2	6%	0.056	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	150.9	168.2	-170	61.1	0	0	0	110.5	L421 V423 I541 I542 L576 L643	L421-I429 HydrophobicContact CD1-CD1 4.46Å; L421-I429 HydrophobicContact CD1-CG1 4.36Å; V423-I429 HydrophobicContact CB-CB 4.04Å; V423-I429 HydrophobicContact CB-CG1 4.41Å; V423-I429 HydrophobicContact CG1-CB 4.2Å; V423-I429 HydrophobicContact CG1-CG2 4.14Å; V423-I429 HydrophobicContact CG2-CB 4.03Å; I429-I541 WeakPolarHBondContact O-CA 3.23Å; I429-I542 HydrophobicContact CG2-CB 3.84Å; I429-I542 HydrophobicContact CG2-CD1 4.28Å; I429-I542 HydrophobicContact CG2-CG1 4.35Å; I429-I542 PolarHBondContact N-O 3.28Å; I429-I542 PolarHBondContact O-N 3.44Å; I429-L576 HydrophobicContact CG1-CD1 4.09Å; I429-L576 HydrophobicContact CG2-CD1 4.13Å; I429-L576 HydrophobicContact CG2-CD2 4.19Å; I429-L643 HydrophobicContact CD1-CD1 4.03Å; I429-L643 HydrophobicContact CD1-CD2 4.33Å
430	R	92.3	Very high	87.7	Confident	36 Å²	36	44 Å²	44	14%	0.136	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127	173.6	-177.7	177	82.5	-129.4	4.5	109.7	E432 H539 L540 I541 P641 L643	R430-E432 IonicContact CZ-OE2 3.18Å; R430-E432 IonicContact NE-OE2 2.71Å; R430-E432 PolarHBondContact NE-OE2 2.58Å; R430-E432 IonicContact NH2-OE2 2.72Å; R430-E432 PolarHBondContact NH2-OE2 3.38Å; R430-H539 WeakPolarHBondContact CD-ND1 3.32Å; R430-H539 HydrophobicContact CG-CB 4.38Å; R430-L540 WeakPolarHBondContact CA-O 3.47Å; R430-I541 HydrophobicContact CB-CG1 4.27Å; R430-I541 HydrophobicContact CG-CG1 3.84Å; R430-P641 HydrophobicContact CB-CG 4.46Å; R430-P641 PolarHBondContact NH1-O 3.17Å; R430-P641 VanDerWaalsContact NH1-O 3.14Å; R430-L643 HydrophobicContact CB-CD1 3.97Å; R430-L643 HydrophobicContact CB-CD2 4.35Å; R430-L643 HydrophobicContact CB-CG 4.47Å
431	M	93	Very high	87.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.2	164.9	-68.5	164	-86	0	0	108	L421 W445 H539 L540 I542 Y553 F574 L576	L421-M431 HydrophobicContact CD1-CB 4.49Å; L421-M431 HydrophobicContact CD1-CG 3.48Å; L421-M431 VanDerWaalsContact CD1-CG 3.48Å; M431-W445 HydrophobicContact CB-CH2 3.47Å; M431-W445 VanDerWaalsContact CB-CH2 3.47Å; M431-W445 HydrophobicContact CB-CZ2 4.23Å; M431-W445 HydrophobicContact CB-CZ3 4Å; M431-W445 HydrophobicContact SD-CZ3 4.28Å; M431-H539 CarbonylContact O-C 3.52Å; M431-H539 WeakPolarHBondContact O-CA 3.42Å; M431-L540 HydrophobicContact CB-CB 4.43Å; M431-L540 HydrophobicContact CE-CB 4.4Å; M431-L540 HydrophobicContact CE-CD2 3.62Å; M431-L540 HydrophobicContact CE-CG 3.92Å; M431-L540 PolarHBondContact N-O 2.97Å; M431-L540 PolarHBondContact O-N 3.02Å; M431-I542 HydrophobicContact CE-CD1 4.02Å; M431-Y553 HydrophobicContact CE-CD1 4.33Å; M431-Y553 HydrophobicContact CE-CD2 4.29Å; M431-Y553 HydrophobicContact CE-CE1 4.47Å; M431-Y553 HydrophobicContact CE-CE2 4.47Å; M431-Y553 HydrophobicContact CE-CG 4.22Å; M431-Y553 HydrophobicContact SD-CD2 4.12Å; M431-Y553 HydrophobicContact SD-CG 3.97Å; M431-F574 HydrophobicContact CB-CD1 3.83Å; M431-F574 HydrophobicContact CB-CD2 4.48Å; M431-F574 HydrophobicContact CB-CE1 3.98Å; M431-F574 HydrophobicContact CB-CG 4.09Å; M431-F574 HydrophobicContact CB-CZ 4.39Å; M431-F574 HydrophobicContact CG-CB 4Å; M431-F574 HydrophobicContact CG-CD1 3.72Å; M431-F574 HydrophobicContact CG-CE1 4.36Å; M431-F574 HydrophobicContact CG-CG 3.9Å; M431-F574 HydrophobicContact SD-CB 3.64Å; M431-F574 HydrophobicContact SD-CD1 4.48Å; M431-F574 HydrophobicContact SD-CG 4.07Å; M431-L576 HydrophobicContact CE-CD2 4.3Å
432	E	90.7	Very high	86.9	Confident	43 Å²	43	42.6 Å²	42.6	20%	0.201	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	139.5	-176.4	65.8	-175.9	-116.9	0	0	113.4	F406 R430 H538 H539 F574	F406-E432 HydrophobicContact CE1-CG 4.39Å; F406-E432 WeakPolarHBondContact CE1-OE2 3.43Å; R430-E432 IonicContact CZ-OE2 3.18Å; R430-E432 IonicContact NE-OE2 2.71Å; R430-E432 PolarHBondContact NE-OE2 2.58Å; R430-E432 IonicContact NH2-OE2 2.72Å; R430-E432 PolarHBondContact NH2-OE2 3.38Å; E432-H538 WeakPolarHBondContact CA-O 3.5Å; E432-H539 IonicContact OE2-ND1 2.81Å; E432-F574 VanDerWaalsContact O-CZ 3.29Å; E432-F574 WeakPolarHBondContact O-CZ 3.4Å
433	Y	91.2	Very high	86.8	Confident	40 Å²	40	41.1 Å²	41.1	16%	0.157	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	113.5	177.1	-172.8	-166	0	0	0	110.5	I435 H538 A555 N557 K572	Y433-I435 HydrophobicContact CD1-CG2 4.24Å; Y433-I435 HydrophobicContact CD2-CG2 4.14Å; Y433-I435 HydrophobicContact CE1-CG2 4.12Å; Y433-I435 HydrophobicContact CE2-CG2 3.99Å; Y433-I435 HydrophobicContact CG-CG2 4.26Å; Y433-H538 PolarHBondContact N-O 2.86Å; Y433-H538 WeakPolarHBondContact O-CB 3.32Å; Y433-H538 PolarHBondContact O-N 3.41Å; Y433-A555 HydrophobicContact CD1-CB 3.65Å; Y433-A555 HydrophobicContact CG-CB 4.28Å; Y433-N557 VanDerWaalsContact CD1-ND2 3.34Å; Y433-N557 WeakPolarHBondContact CD1-ND2 3.41Å; Y433-N557 WeakPolarHBondContact CE1-ND2 3.42Å; Y433-K572 HydrophobicContact CD1-CB 3.67Å; Y433-K572 HydrophobicContact CD2-CB 4.1Å; Y433-K572 HydrophobicContact CD2-CD 4Å; Y433-K572 HydrophobicContact CE1-CB 3.71Å; Y433-K572 HydrophobicContact CE2-CB 4.16Å; Y433-K572 HydrophobicContact CE2-CD 4.4Å; Y433-K572 HydrophobicContact CG-CB 3.87Å; Y433-K572 HydrophobicContact CG-CD 4.28Å
434	S	88.8	Confident	86.8	Confident	67 Å²	67	43.7 Å²	43.7	47%	0.469	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.6	173.1	-55.6	0	0	0	0	111	L536	S434-L536 CarbonylContact C-O 3.58Å; S434-L536 WeakPolarHBondContact CA-O 3.1Å
435	I	88.7	Confident	87.2	Confident	5 Å²	5	40.7 Å²	40.7	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154	179	61	179.4	0	0	0	111.2	Y433 I443 Y535 L536 N557	Y433-I435 HydrophobicContact CD1-CG2 4.24Å; Y433-I435 HydrophobicContact CD2-CG2 4.14Å; Y433-I435 HydrophobicContact CE1-CG2 4.12Å; Y433-I435 HydrophobicContact CE2-CG2 3.99Å; Y433-I435 HydrophobicContact CG-CG2 4.26Å; I435-I443 HydrophobicContact CD1-CD1 3.93Å; I435-I443 HydrophobicContact CD1-CG1 4.15Å; I435-Y535 WeakPolarHBondContact O-CA 3.36Å; I435-L536 HydrophobicContact CG1-CB 3.94Å; I435-L536 PolarHBondContact N-O 2.86Å; I435-L536 PolarHBondContact O-N 2.87Å; I435-N557 HydrophobicContact CD1-CB 4.24Å; I435-N557 WeakPolarHBondContact CD1-OD1 3.36Å
436	P	87.5	Confident	87.5	Confident	43 Å²	43	40.4 Å²	40.4	28%	0.279	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	147	168.7	28	-36.3	0	0	0	111.5	V532	P436-V532 HydrophobicContact CB-CB 4.24Å; P436-V532 HydrophobicContact CB-CG1 3.65Å; P436-V532 HydrophobicContact CB-CG2 3.88Å
437	Y	86.6	Confident	88.1	Confident	14 Å²	14	41.9 Å²	41.9	6%	0.055	20%	0.204	C	C	.	.			trans	-68.3	134.1	171.1	178.4	-111.2	0	0	0	111.5	K503 L506 N507 I534 L536	Y437-K503 PolarHBondContact OH-O 2.97Å; Y437-L506 HydrophobicContact CD1-CB 4.48Å; Y437-L506 HydrophobicContact CD2-CD1 3.94Å; Y437-L506 HydrophobicContact CE1-CB 3.82Å; Y437-L506 HydrophobicContact CE2-CB 3.93Å; Y437-L506 HydrophobicContact CE2-CD1 3.51Å; Y437-L506 HydrophobicContact CE2-CG 4.38Å; Y437-N507 WeakPolarHBondContact CE1-OD1 3.39Å; Y437-N507 PolarHBondContact OH-OD1 3.47Å; Y437-N507 VanDerWaalsContact OH-OD1 3.06Å; Y437-I534 WeakPolarHBondContact CB-O 3.49Å; Y437-I534 HydrophobicContact CG-CB 4.41Å; Y437-I534 HydrophobicContact CG-CG2 4.4Å; Y437-I534 PolarHBondContact N-O 3.38Å; Y437-L536 HydrophobicContact CD2-CD1 4Å; Y437-L536 HydrophobicContact CD2-CD2 4.11Å; Y437-L536 HydrophobicContact CD2-CG 4.12Å
438	N	83.5	Confident	88.4	Confident	58 Å²	58	40.7 Å²	40.7	31%	0.31	20%	0.2	S	C	.	.			trans	-145	129.7	166.7	179	-35.9	0	0	0	108	Q440 C441 Y559	N438-Q440 PolarHBondContact O-N 3.4Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.49Å; N438-Q440 PolarHBondContact OD1-N 2.83Å; N438-C441 HydrophobicContact CB-CB 4.22Å; N438-C441 VanDerWaalsContact O-CB 3.31Å; N438-C441 WeakPolarHBondContact O-CB 3.12Å; N438-C441 PolarHBondContact O-N 3.49Å; N438-C441 VanDerWaalsContact O-N 3.11Å; N438-Y559 HydrophobicContact CB-CD1 4.19Å; N438-Y559 HydrophobicContact CB-CE1 3.97Å
439	E	79.5	Confident	88.4	Confident	97 Å²	97	41.5 Å²	41.5	45%	0.453	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-43.1	178.8	175.5	169.8	-137.8	0	0	113	C441 K503 N507	E439-C441 VanDerWaalsContact C-N 3.3Å; E439-C441 PolarHBondContact O-N 2.98Å; E439-K503 WeakPolarHBondContact O-CE 3.37Å; E439-K503 PolarHBondContact O-NZ 3.3Å; E439-N507 PolarHBondContact OE1-ND2 2.97Å
440	Q	78.4	Confident	88.1	Confident	86 Å²	86	49.3 Å²	49.3	40%	0.402	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.1	-173.6	-56.8	-178	-42.8	0	0	112.9	N438 E442 P560	N438-Q440 PolarHBondContact O-N 3.4Å; N438-Q440 WeakPolarHBondContact OD1-CB 3.49Å; N438-Q440 PolarHBondContact OD1-N 2.83Å; Q440-E442 PolarHBondContact O-N 2.97Å; Q440-P560 HydrophobicContact CB-CG 3.61Å; Q440-P560 HydrophobicContact CG-CG 4.34Å; Q440-P560 VanDerWaalsContact O-CD 3.31Å; Q440-P560 WeakPolarHBondContact O-CD 3.13Å
441	C	79.5	Confident	87.8	Confident	6 Å²	6	52.2 Å²	52.2	4%	0.041	26%	0.259	C	S	.	.			trans	-69	129.8	178.5	-165	0	0	0	0	111	N438 E439 K503 Q558 Y559	N438-C441 HydrophobicContact CB-CB 4.22Å; N438-C441 VanDerWaalsContact O-CB 3.31Å; N438-C441 WeakPolarHBondContact O-CB 3.12Å; N438-C441 PolarHBondContact O-N 3.49Å; N438-C441 VanDerWaalsContact O-N 3.11Å; E439-C441 VanDerWaalsContact C-N 3.3Å; E439-C441 PolarHBondContact O-N 2.98Å; C441-K503 PolarHBondContact O-NZ 2.77Å; C441-Q558 WeakPolarHBondContact CA-O 3.4Å; C441-Y559 HydrophobicContact CB-CD1 4.47Å; C441-Y559 HydrophobicContact CB-CE1 4.31Å
442	E	82.7	Confident	87.4	Confident	135 Å²	135	58.1 Å²	58.1	63%	0.631	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	139.8	162.2	-60.9	-161.5	157.5	0	0	109.4	Q440 N557 Q558	Q440-E442 PolarHBondContact O-N 2.97Å; E442-N557 CarbonylContact O-C 3.56Å; E442-N557 VanDerWaalsContact O-CA 3.27Å; E442-N557 WeakPolarHBondContact O-CA 3.33Å; E442-Q558 PolarHBondContact N-O 2.99Å; E442-Q558 PolarHBondContact O-N 3.02Å
443	I	87.7	Confident	87.2	Confident	22 Å²	22	60.2 Å²	60.2	11%	0.113	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	112.9	-163.7	-64.6	174.7	0	0	0	107.9	I435 I467 I498 L536 H538	I435-I443 HydrophobicContact CD1-CD1 3.93Å; I435-I443 HydrophobicContact CD1-CG1 4.15Å; I443-I467 HydrophobicContact CD1-CD1 4.47Å; I443-I467 HydrophobicContact CG2-CD1 4.09Å; I443-I498 HydrophobicContact CD1-CD1 4.39Å; I443-L536 HydrophobicContact CD1-CD1 3.55Å; I443-H538 HydrophobicContact CG2-CB 4.2Å; I443-H538 VanDerWaalsContact CG2-CD2 3.41Å; I443-H538 WeakPolarHBondContact CG2-CD2 3.24Å; I443-H538 WeakPolarHBondContact CG2-CE1 3.24Å; I443-H538 VanDerWaalsContact CG2-CG 3.48Å; I443-H538 WeakPolarHBondContact CG2-ND1 3.4Å; I443-H538 WeakPolarHBondContact CG2-NE2 3.44Å
444	Q	89.5	Confident	87.1	Confident	65 Å²	65	63.9 Å²	63.9	30%	0.304	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.1	-169.5	-171.3	64.8	4.2	0	0	113	Y446 S556	Q444-Y446 HydrophobicContact CB-CE2 3.9Å; Q444-Y446 HydrophobicContact CG-CD2 4.31Å; Q444-Y446 HydrophobicContact CG-CE1 4.49Å; Q444-Y446 HydrophobicContact CG-CE2 3.67Å; Q444-S556 PolarHBondContact N-O 2.75Å; Q444-S556 PolarHBondContact O-N 2.65Å
445	W	93.3	Very high	87.2	Confident	0 Å²	0	63 Å²	63	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135.8	169.3	-75.2	96	0	0	0	111.8	M431 P456 V457 F459 H465 H538 L540 F554 A555 F574	M431-W445 HydrophobicContact CB-CH2 3.47Å; M431-W445 VanDerWaalsContact CB-CH2 3.47Å; M431-W445 HydrophobicContact CB-CZ2 4.23Å; M431-W445 HydrophobicContact CB-CZ3 4Å; M431-W445 HydrophobicContact SD-CZ3 4.28Å; W445-P456 WeakPolarHBondContact O-CA 3.32Å; W445-V457 HydrophobicContact CB-CB 4.03Å; W445-V457 HydrophobicContact CB-CG2 3.66Å; W445-V457 PolarHBondContact O-N 2.68Å; W445-F459 HydrophobicContact CB-CZ 4.45Å; W445-H465 AromaticContact CD1-CG 3.96Å; W445-H465 AromaticContact CD1-ND1 3.93Å; W445-H538 AromaticContact CD1-CD2 3.65Å; W445-H538 AromaticContact CD1-CE1 3.81Å; W445-H538 AromaticContact CD1-NE2 3.02Å; W445-H538 AromaticContact CE2-CD2 3.94Å; W445-H538 AromaticContact CE2-NE2 3.76Å; W445-H538 AromaticContact CG-NE2 3.83Å; W445-H538 AromaticContact NE1-CD2 3.1Å; W445-H538 PolarHBondContact NE1-CD2 2.95Å; W445-H538 AromaticContact NE1-CE1 3.68Å; W445-H538 AromaticContact NE1-CG 3.89Å; W445-H538 AromaticContact NE1-NE2 2.95Å; W445-H538 PolarHBondContact NE1-NE2 2.9Å; W445-L540 HydrophobicContact CB-CD2 4.39Å; W445-L540 HydrophobicContact CD2-CB 3.64Å; W445-L540 HydrophobicContact CD2-CD2 3.74Å; W445-L540 HydrophobicContact CD2-CG 4.29Å; W445-L540 HydrophobicContact CE3-CB 4.11Å; W445-L540 HydrophobicContact CE3-CD2 3.7Å; W445-L540 HydrophobicContact CG-CB 4.1Å; W445-L540 HydrophobicContact CG-CD2 4.03Å; W445-L540 HydrophobicContact CH2-CB 4.06Å; W445-L540 HydrophobicContact CZ2-CB 3.58Å; W445-L540 HydrophobicContact CZ3-CB 4.29Å; W445-L540 HydrophobicContact CZ3-CD2 4.25Å; W445-F554 WeakPolarHBondContact CA-O 3.13Å; W445-A555 HydrophobicContact CD2-CB 4.21Å; W445-A555 HydrophobicContact CE3-CB 3.98Å; W445-A555 HydrophobicContact CH2-CB 3.59Å; W445-A555 HydrophobicContact CZ2-CB 3.81Å; W445-A555 HydrophobicContact CZ3-CB 3.69Å; W445-F574 AromaticContact CH2-CD2 3.85Å; W445-F574 HydrophobicContact CH2-CD2 3.85Å; W445-F574 AromaticContact CH2-CE2 3.56Å; W445-F574 HydrophobicContact CH2-CE2 3.56Å; W445-F574 HydrophobicContact CH2-CZ 4.08Å; W445-F574 AromaticContact CZ3-CD2 3.66Å; W445-F574 HydrophobicContact CZ3-CD2 3.66Å; W445-F574 AromaticContact CZ3-CE2 3.82Å; W445-F574 HydrophobicContact CZ3-CE2 3.82Å; W445-F574 HydrophobicContact CZ3-CG 4.44Å
446	Y	93.9	Very high	87.4	Confident	48 Å²	48	65.8 Å²	65.8	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.5	169.5	-60.3	-96.3	0	0	0	110.8	Q444 R454 V455 P456 Y553 F554	Q444-Y446 HydrophobicContact CB-CE2 3.9Å; Q444-Y446 HydrophobicContact CG-CD2 4.31Å; Q444-Y446 HydrophobicContact CG-CE1 4.49Å; Q444-Y446 HydrophobicContact CG-CE2 3.67Å; Y446-R454 HydrophobicContact CD1-CB 4.07Å; Y446-R454 HydrophobicContact CG-CB 4.32Å; Y446-V455 CarbonylContact C-O 3.58Å; Y446-V455 VanDerWaalsContact CA-O 3.29Å; Y446-V455 WeakPolarHBondContact CA-O 3.36Å; Y446-P456 HydrophobicContact CD1-CG 4.24Å; Y446-P456 HydrophobicContact CE1-CG 4.02Å; Y446-Y553 CarbonylContact O-C 3.58Å; Y446-Y553 VanDerWaalsContact O-CA 3.28Å; Y446-Y553 WeakPolarHBondContact O-CA 3.48Å; Y446-F554 PolarHBondContact N-O 3.23Å; Y446-F554 PolarHBondContact O-N 3.22Å
447	K	94.4	Very high	87.5	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.191	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.4	164	-173.3	176.8	-174.6	161.5	0	109	V455 V457 D548 D549 A550 R552 Y553	K447-V455 PolarHBondContact N-O 3.12Å; K447-V455 PolarHBondContact O-N 2.83Å; K447-V457 HydrophobicContact CB-CG2 4.14Å; K447-D548 PolarHBondContact NZ-O 2.66Å; K447-D549 PolarHBondContact NZ-O 3.07Å; K447-A550 WeakPolarHBondContact CE-O 3.43Å; K447-A550 PolarHBondContact NZ-O 3.17Å; K447-R552 WeakPolarHBondContact CA-O 3.45Å; K447-Y553 HydrophobicContact CB-CD1 4.06Å; K447-Y553 HydrophobicContact CB-CE1 3.95Å; K447-Y553 HydrophobicContact CD-CE1 3.98Å; K447-Y553 HydrophobicContact CD-CE2 4.07Å; K447-Y553 HydrophobicContact CG-CD1 4.32Å; K447-Y553 HydrophobicContact CG-CE1 4.05Å; K447-Y553 HydrophobicContact CG-CE2 4.22Å; K447-Y553 PolarHBondContact NZ-OH 3.06Å
448	L	93	Very high	87.5	Confident	26 Å²	26	68.1 Å²	68.1	14%	0.136	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.3	171.1	-154.5	74	0	0	0	109.7	N452 Q453 R454 R552 F554	L448-N452 WeakPolarHBondContact CD1-O 3.47Å; L448-N452 WeakPolarHBondContact CD2-OD1 3.28Å; L448-Q453 WeakPolarHBondContact CA-O 3.37Å; L448-R454 HydrophobicContact CD1-CG 4.26Å; L448-R552 HydrophobicContact CB-CB 4.01Å; L448-R552 HydrophobicContact CD2-CB 4.35Å; L448-R552 PolarHBondContact N-O 3.28Å; L448-F554 HydrophobicContact CB-CE2 4.32Å; L448-F554 HydrophobicContact CD1-CE2 4.09Å
449	N	90.3	Very high	87.6	Confident	25 Å²	25	67.5 Å²	67.5	13%	0.134	33%	0.326	C	S	.	.			trans	-85.9	172.4	174.3	77.2	8.1	0	0	0	111.8	K451 N452 Q453 V455	N449-K451 PolarHBondContact O-N 2.84Å; N449-K451 VanDerWaalsContact OD1-CA 3.32Å; N449-K451 WeakPolarHBondContact OD1-CA 3.3Å; N449-K451 WeakPolarHBondContact OD1-CB 3.19Å; N449-K451 PolarHBondContact OD1-N 2.71Å; N449-N452 WeakPolarHBondContact O-CA 3.41Å; N449-N452 PolarHBondContact O-N 3.46Å; N449-N452 PolarHBondContact OD1-N 2.85Å; N449-Q453 PolarHBondContact N-O 3Å; N449-Q453 PolarHBondContact ND2-OE1 3.45Å; N449-Q453 WeakPolarHBondContact OD1-CB 3.49Å; N449-Q453 PolarHBondContact OD1-N 3Å; N449-Q453 PolarHBondContact OD1-O 3.01Å; N449-V455 HydrophobicContact CB-CG2 3.99Å
450	N	85.2	Confident	87.7	Confident	174 Å²	174	65.1 Å²	65.1	93%	0.93	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.2	179.8	-57	28	0	0	0	114.1	N452	N450-N452 VanDerWaalsContact C-N 3.35Å
451	K	86.4	Confident	87.5	Confident	97 Å²	97	67.9 Å²	67.9	42%	0.422	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	14.4	172.7	-63	-174.6	178.5	176.1	0	112.1	D263 S264 L265 N449 Q453	D263-K451 PolarHBondContact O-NZ 2.73Å; S264-K451 WeakPolarHBondContact O-CD 3.35Å; S264-K451 PolarHBondContact O-NZ 2.72Å; L265-K451 PolarHBondContact O-NZ 2.94Å; N449-K451 PolarHBondContact O-N 2.84Å; N449-K451 VanDerWaalsContact OD1-CA 3.32Å; N449-K451 WeakPolarHBondContact OD1-CA 3.3Å; N449-K451 WeakPolarHBondContact OD1-CB 3.19Å; N449-K451 PolarHBondContact OD1-N 2.71Å; K451-Q453 HydrophobicContact CB-CG 4.28Å; K451-Q453 PolarHBondContact O-N 3.3Å
452	N	84.8	Confident	87.8	Confident	126 Å²	126	68.5 Å²	68.5	67%	0.674	33%	0.329	S	S	*	.	S	Bend	trans	57.2	22.7	-174.2	-72.8	-41.7	0	0	0	115	L448 N449 N450	L448-N452 WeakPolarHBondContact CD1-O 3.47Å; L448-N452 WeakPolarHBondContact CD2-OD1 3.28Å; N449-N452 WeakPolarHBondContact O-CA 3.41Å; N449-N452 PolarHBondContact O-N 3.46Å; N449-N452 PolarHBondContact OD1-N 2.85Å; N450-N452 VanDerWaalsContact C-N 3.35Å
453	Q	87.2	Confident	88.1	Confident	87 Å²	87	62.5 Å²	62.5	41%	0.407	30%	0.301	S	S	.	.			trans	-95.2	145.7	176.3	-57.8	163	-37.1	0	0	110.5	L448 N449 K451	L448-Q453 WeakPolarHBondContact CA-O 3.37Å; N449-Q453 PolarHBondContact N-O 3Å; N449-Q453 PolarHBondContact ND2-OE1 3.45Å; N449-Q453 WeakPolarHBondContact OD1-CB 3.49Å; N449-Q453 PolarHBondContact OD1-N 3Å; N449-Q453 PolarHBondContact OD1-O 3.01Å; K451-Q453 HydrophobicContact CB-CG 4.28Å; K451-Q453 PolarHBondContact O-N 3.3Å
454	R	88.7	Confident	88.1	Confident	116 Å²	116	62.6 Å²	62.6	44%	0.438	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.3	172.2	-68.8	174.1	172.1	-168.2	-8.2	109.9	Y446 L448 F554 E571	Y446-R454 HydrophobicContact CD1-CB 4.07Å; Y446-R454 HydrophobicContact CG-CB 4.32Å; L448-R454 HydrophobicContact CD1-CG 4.26Å; R454-F554 HydrophobicContact CG-CD2 4.35Å; R454-F554 HydrophobicContact CG-CE2 4.49Å; R454-E571 IonicContact CZ-OE1 2.68Å; R454-E571 IonicContact CZ-OE2 2.73Å; R454-E571 IonicContact NH1-OE1 2.76Å; R454-E571 PolarHBondContact NH1-OE1 3.04Å; R454-E571 IonicContact NH1-OE2 3.66Å; R454-E571 PolarHBondContact NH1-OE2 2.91Å; R454-E571 IonicContact NH2-OE1 3.88Å; R454-E571 IonicContact NH2-OE2 3.88Å; R454-E571 PolarHBondContact NH2-OE2 3.18Å
455	V	91.2	Very high	88.2	Confident	48 Å²	48	59.6 Å²	59.6	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.5	176.2	-176.3	0	0	0	0	108.4	Y446 K447 N449 V457	Y446-V455 CarbonylContact C-O 3.58Å; Y446-V455 VanDerWaalsContact CA-O 3.29Å; Y446-V455 WeakPolarHBondContact CA-O 3.36Å; K447-V455 PolarHBondContact N-O 3.12Å; K447-V455 PolarHBondContact O-N 2.83Å; N449-V455 HydrophobicContact CB-CG2 3.99Å; V455-V457 PolarHBondContact O-N 2.97Å
456	P	92	Very high	88.1	Confident	65 Å²	65	59.6 Å²	59.6	42%	0.422	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.7	137.1	172.8	-31.9	38.2	0	0	0	112.7	W445 Y446 K458	W445-P456 WeakPolarHBondContact O-CA 3.32Å; Y446-P456 HydrophobicContact CD1-CG 4.24Å; Y446-P456 HydrophobicContact CE1-CG 4.02Å; P456-K458 PolarHBondContact O-N 3.43Å
457	V	90.9	Very high	88	Confident	12 Å²	12	57.3 Å²	57.3	7%	0.073	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.8	125.2	178.2	176.8	0	0	0	0	109.8	W445 K447 V455 F459 I463 L540 Y553	W445-V457 HydrophobicContact CB-CB 4.03Å; W445-V457 HydrophobicContact CB-CG2 3.66Å; W445-V457 PolarHBondContact O-N 2.68Å; K447-V457 HydrophobicContact CB-CG2 4.14Å; V455-V457 PolarHBondContact O-N 2.97Å; V457-F459 HydrophobicContact CB-CD1 4.32Å; V457-F459 HydrophobicContact CB-CE1 3.69Å; V457-F459 HydrophobicContact CB-CZ 4.23Å; V457-F459 HydrophobicContact CG1-CD1 3.84Å; V457-F459 HydrophobicContact CG1-CE1 3.63Å; V457-F459 PolarHBondContact O-N 3.09Å; V457-I463 HydrophobicContact CG1-CG2 4.08Å; V457-L540 HydrophobicContact CG1-CD1 4.2Å; V457-L540 HydrophobicContact CG1-CD2 4.26Å; V457-L540 HydrophobicContact CG2-CD2 4.2Å; V457-Y553 HydrophobicContact CG1-CE1 4.32Å; V457-Y553 HydrophobicContact CG2-CD1 3.73Å; V457-Y553 HydrophobicContact CG2-CE1 3.77Å
458	K	86.2	Confident	87.9	Confident	93 Å²	93	55.3 Å²	55.3	40%	0.404	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-75	117.3	172.3	-67	179	178.1	-179.9	0	109.3	W272 P456	W272-K458 HydrophobicContact CD2-CD 4.2Å; W272-K458 VanDerWaalsContact CD2-CE 3.49Å; W272-K458 HydrophobicContact CH2-CD 4.21Å; W272-K458 HydrophobicContact CH2-CG 4.43Å; W272-K458 HydrophobicContact CZ2-CD 3.74Å; W272-K458 HydrophobicContact CZ2-CG 4.15Å; P456-K458 PolarHBondContact O-N 3.43Å
459	F	84.2	Confident	87.8	Confident	45 Å²	45	54 Å²	54	20%	0.197	26%	0.263	C	S	.	.			trans	-92.6	114.8	178.4	-50.1	-52.4	0	0	0	110	W445 V457 I463 H465 L540 R787	W445-F459 HydrophobicContact CB-CZ 4.45Å; V457-F459 HydrophobicContact CB-CD1 4.32Å; V457-F459 HydrophobicContact CB-CE1 3.69Å; V457-F459 HydrophobicContact CB-CZ 4.23Å; V457-F459 HydrophobicContact CG1-CD1 3.84Å; V457-F459 HydrophobicContact CG1-CE1 3.63Å; V457-F459 PolarHBondContact O-N 3.09Å; F459-I463 HydrophobicContact CD1-CG2 3.99Å; F459-H465 HydrophobicContact CD1-CB 4.25Å; F459-H465 HydrophobicContact CD2-CB 4.46Å; F459-H465 HydrophobicContact CE1-CB 3.78Å; F459-H465 HydrophobicContact CE2-CB 4.01Å; F459-H465 HydrophobicContact CZ-CB 3.65Å; F459-H465 AromaticContact CZ-ND1 3.67Å; F459-L540 HydrophobicContact CD1-CD1 4.27Å; F459-L540 HydrophobicContact CE1-CD1 3.93Å; F459-R787 WeakPolarHBondContact O-CD 3.35Å; F459-R787 PolarHBondContact O-NE 3.35Å; F459-R787 VanDerWaalsContact O-NE 3.11Å
460	D	81.6	Confident	87.8	Confident	47 Å²	47	54.8 Å²	54.8	25%	0.251	27%	0.269	S	S	.	.			trans	-104.8	-148.4	-179.3	69.1	9	0	0	0	111.4	R462 I463 R787	D460-R462 VanDerWaalsContact OD1-CA 3.31Å; D460-R462 WeakPolarHBondContact OD1-CA 3.15Å; D460-R462 VanDerWaalsContact OD1-CB 3.3Å; D460-R462 WeakPolarHBondContact OD1-CB 3.33Å; D460-R462 PolarHBondContact OD1-N 3.19Å; D460-R462 IonicContact OD1-NE 3.52Å; D460-R462 IonicContact OD2-CZ 3.14Å; D460-R462 VanDerWaalsContact OD2-CZ 3.31Å; D460-R462 IonicContact OD2-NE 3.32Å; D460-R462 PolarHBondContact OD2-NE 3.34Å; D460-R462 IonicContact OD2-NH2 2.71Å; D460-R462 PolarHBondContact OD2-NH2 3.46Å; D460-I463 PolarHBondContact N-O 3.4Å; D460-I463 WeakPolarHBondContact OD1-CG1 3.28Å; D460-I463 PolarHBondContact OD1-N 2.96Å; D460-R787 VanDerWaalsContact O-CZ 3.22Å; D460-R787 PolarHBondContact O-NE 3.13Å; D460-R787 PolarHBondContact O-NH2 2.96Å
461	F	74.4	Confident	87.8	Confident	145 Å²	145	47.7 Å²	47.7	64%	0.636	23%	0.231	S	C	*	.	S	Bend	trans	-84.6	-12.4	174.2	63.7	-88.6	0	0	0	113.7	R625	F461-R625 PolarHBondContact O-NH1 3.38Å
462	R	85.9	Confident	87.5	Confident	18 Å²	18	48 Å²	48	7%	0.068	24%	0.237	C	C	.	.	S	Bend	trans	-100.9	-36.2	179	-43.4	172.1	-60.8	122.2	8	110.8	D460 W543 A544 D549	D460-R462 VanDerWaalsContact OD1-CA 3.31Å; D460-R462 WeakPolarHBondContact OD1-CA 3.15Å; D460-R462 VanDerWaalsContact OD1-CB 3.3Å; D460-R462 WeakPolarHBondContact OD1-CB 3.33Å; D460-R462 PolarHBondContact OD1-N 3.19Å; D460-R462 IonicContact OD1-NE 3.52Å; D460-R462 IonicContact OD2-CZ 3.14Å; D460-R462 VanDerWaalsContact OD2-CZ 3.31Å; D460-R462 IonicContact OD2-NE 3.32Å; D460-R462 PolarHBondContact OD2-NE 3.34Å; D460-R462 IonicContact OD2-NH2 2.71Å; D460-R462 PolarHBondContact OD2-NH2 3.46Å; R462-W543 WeakPolarHBondContact O-CB 3.45Å; R462-W543 VanDerWaalsContact O-CD1 3.26Å; R462-W543 PolarHBondContact O-N 3Å; R462-A544 PolarHBondContact NH1-O 2.81Å; R462-D549 IonicContact CZ-OD1 3.12Å; R462-D549 IonicContact CZ-OD2 2.74Å; R462-D549 IonicContact NH1-OD1 3.9Å; R462-D549 PolarHBondContact NH1-OD1 2.81Å; R462-D549 IonicContact NH1-OD2 3.78Å; R462-D549 PolarHBondContact NH1-OD2 2.85Å; R462-D549 IonicContact NH2-OD1 2.69Å; R462-D549 PolarHBondContact NH2-OD1 3.26Å; R462-D549 IonicContact NH2-OD2 2.59Å
463	I	88.5	Confident	86.9	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.046	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.6	-173.6	-52.2	-175.4	0	0	0	110.3	V457 F459 D460 L540 I541 I542 R787	V457-I463 HydrophobicContact CG1-CG2 4.08Å; F459-I463 HydrophobicContact CD1-CG2 3.99Å; D460-I463 PolarHBondContact N-O 3.4Å; D460-I463 WeakPolarHBondContact OD1-CG1 3.28Å; D460-I463 PolarHBondContact OD1-N 2.96Å; I463-L540 HydrophobicContact CG2-CD1 3.47Å; I463-L540 VanDerWaalsContact CG2-CD1 3.47Å; I463-I541 CarbonylContact C-O 3.58Å; I463-I541 WeakPolarHBondContact CA-O 3.37Å; I463-I542 HydrophobicContact CD1-CG1 4.47Å; I463-I542 HydrophobicContact CG1-CG1 4.13Å; I463-I542 HydrophobicContact CG1-CG2 4.21Å; I463-I542 HydrophobicContact CG2-CG1 4.25Å; I463-R787 PolarHBondContact O-NH2 3.41Å; I463-R787 VanDerWaalsContact O-NH2 3.13Å
464	E	89	Confident	85.9	Confident	24 Å²	24	42 Å²	42	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.2	-177	-57.1	-160.6	123.1	0	0	112.3	V466 L540 I541 W543 R625	E464-V466 HydrophobicContact CB-CG2 4.45Å; E464-L540 WeakPolarHBondContact O-CA 3.22Å; E464-I541 PolarHBondContact N-O 3.42Å; E464-I541 PolarHBondContact O-N 3.18Å; E464-W543 PolarHBondContact OE2-NE1 3.09Å; E464-R625 IonicContact OE1-CZ 3.34Å; E464-R625 IonicContact OE1-NH1 2.98Å; E464-R625 PolarHBondContact OE1-NH1 2.69Å; E464-R625 IonicContact OE1-NH2 2.65Å; E464-R625 PolarHBondContact OE1-NH2 3.31Å; E464-R625 IonicContact OE2-CZ 2.69Å; E464-R625 IonicContact OE2-NE 2.74Å; E464-R625 IonicContact OE2-NH1 2.75Å; E464-R625 PolarHBondContact OE2-NH1 2.94Å; E464-R625 IonicContact OE2-NH2 2.64Å; E464-R625 PolarHBondContact OE2-NH2 3.39Å
465	H	91.1	Very high	84.6	Confident	3 Å²	3	44 Å²	44	1%	0.014	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.4	171.5	179.6	176.2	0	0	0	107.4	W445 F459 N494 S495 G496 H538 H539	W445-H465 AromaticContact CD1-CG 3.96Å; W445-H465 AromaticContact CD1-ND1 3.93Å; F459-H465 HydrophobicContact CD1-CB 4.25Å; F459-H465 HydrophobicContact CD2-CB 4.46Å; F459-H465 HydrophobicContact CE1-CB 3.78Å; F459-H465 HydrophobicContact CE2-CB 4.01Å; F459-H465 HydrophobicContact CZ-CB 3.65Å; F459-H465 AromaticContact CZ-ND1 3.67Å; H465-N494 CarbonylContact O-C 3.54Å; H465-S495 CarbonylContact O-C 3.59Å; H465-S495 PolarHBondContact O-N 2.86Å; H465-S495 VanDerWaalsContact O-N 3.16Å; H465-G496 WeakPolarHBondContact CE1-CA 3.49Å; H465-G496 VanDerWaalsContact CG-CA 3.47Å; H465-G496 WeakPolarHBondContact ND1-CA 3.44Å; H465-G496 WeakPolarHBondContact NE2-CA 3.33Å; H465-G496 PolarHBondContact O-N 3.09Å; H465-H538 AromaticContact CD2-CD2 3.75Å; H465-H538 AromaticContact CE1-CD2 3.78Å; H465-H538 AromaticContact CE1-NE2 3.39Å; H465-H538 PolarHBondContact CE1-NE2 2.97Å; H465-H538 AromaticContact NE2-CD2 3.1Å; H465-H538 PolarHBondContact NE2-CD2 3.41Å; H465-H538 AromaticContact NE2-NE2 3.23Å; H465-H538 PolarHBondContact NE2-NE2 3.16Å; H465-H539 WeakPolarHBondContact CA-O 3.35Å
466	V	91.1	Very high	83.2	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	135.3	178.5	-179.7	0	0	0	0	108.8	E464 T468 S493 H539 I541 V638 M640	E464-V466 HydrophobicContact CB-CG2 4.45Å; V466-T468 HydrophobicContact CG1-CG2 4.14Å; V466-S493 CarbonylContact C-O 3.57Å; V466-S493 WeakPolarHBondContact CA-O 3.29Å; V466-H539 HydrophobicContact CB-CB 4.27Å; V466-H539 PolarHBondContact N-O 3.43Å; V466-H539 WeakPolarHBondContact O-CA 3.18Å; V466-H539 WeakPolarHBondContact O-CB 3.33Å; V466-H539 PolarHBondContact O-CD2 3.48Å; V466-H539 PolarHBondContact O-N 3.27Å; V466-I541 HydrophobicContact CB-CD1 4.41Å; V466-I541 HydrophobicContact CG2-CD1 3.9Å; V466-V638 HydrophobicContact CG1-CG2 4.08Å; V466-V638 HydrophobicContact CG2-CG2 4.42Å; V466-M640 HydrophobicContact CG1-CE 4.07Å
467	I	91.4	Very high	82	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	124.2	170.5	-57.1	178.4	0	0	0	108	I443 L492 S493 G496 I498 L536 Q537	I443-I467 HydrophobicContact CD1-CD1 4.47Å; I443-I467 HydrophobicContact CG2-CD1 4.09Å; I467-L492 HydrophobicContact CB-CB 4.47Å; I467-L492 HydrophobicContact CG2-CB 4.23Å; I467-L492 HydrophobicContact CG2-CD1 4.29Å; I467-L492 WeakPolarHBondContact O-CB 3.19Å; I467-L492 PolarHBondContact O-N 3.49Å; I467-S493 PolarHBondContact N-O 3.39Å; I467-S493 PolarHBondContact O-N 2.69Å; I467-S493 VanDerWaalsContact O-N 3.13Å; I467-G496 VanDerWaalsContact CD1-O 3.26Å; I467-G496 WeakPolarHBondContact CD1-O 3.48Å; I467-I498 HydrophobicContact CD1-CD1 4Å; I467-I498 HydrophobicContact CD1-CG1 3.88Å; I467-I498 HydrophobicContact CG2-CD1 4.25Å; I467-L536 HydrophobicContact CG2-CB 4.45Å; I467-L536 HydrophobicContact CG2-CD2 4.49Å; I467-Q537 WeakPolarHBondContact CA-O 3.18Å
468	T	92.8	Very high	80.8	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.7	171.4	56	0	0	0	0	110.2	V466 F490 V491 L536 Q537 H539 M640 L654	V466-T468 HydrophobicContact CG1-CG2 4.14Å; T468-F490 CarbonylContact C-O 3.58Å; T468-F490 WeakPolarHBondContact CA-O 3.15Å; T468-F490 WeakPolarHBondContact CB-O 3.32Å; T468-V491 HydrophobicContact CG2-CG2 4.39Å; T468-L536 CarbonylContact O-C 3.51Å; T468-L536 WeakPolarHBondContact O-CA 3.49Å; T468-Q537 PolarHBondContact N-O 3.27Å; T468-Q537 VanDerWaalsContact N-O 3.11Å; T468-Q537 PolarHBondContact O-N 3.08Å; T468-Q537 PolarHBondContact OG1-OE1 3.21Å; T468-Q537 VanDerWaalsContact OG1-OE1 3.13Å; T468-H539 PolarHBondContact OG1-NE2 3.11Å; T468-M640 HydrophobicContact CG2-CE 4.12Å; T468-L654 HydrophobicContact CG2-CD2 3.63Å
469	G	90.8	Very high	79.7	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	149.8	170.8	0	0	0	0	0	111.1	P489 F490 Y535	G469-P489 CarbonylContact O-C 3.53Å; G469-P489 WeakPolarHBondContact O-CA 3.39Å; G469-F490 VanDerWaalsContact C-CE1 3.48Å; G469-F490 PolarHBondContact N-O 2.65Å; G469-F490 WeakPolarHBondContact O-CD1 3.39Å; G469-F490 WeakPolarHBondContact O-CE1 3.16Å; G469-F490 PolarHBondContact O-N 3.12Å; G469-Y535 CarbonylContact C-O 3.56Å; G469-Y535 WeakPolarHBondContact CA-O 3.28Å
470	T	89.5	Confident	78.7	Confident	41 Å²	41	50.1 Å²	50.1	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.1	162.4	54.4	0	0	0	0	108.9	P489 I534 Y535	T470-P489 HydrophobicContact CG2-CB 3.89Å; T470-P489 HydrophobicContact CG2-CG 3.86Å; T470-I534 WeakPolarHBondContact O-CA 3.41Å; T470-Y535 PolarHBondContact N-O 2.89Å; T470-Y535 PolarHBondContact O-N 2.99Å
471	I	86.1	Confident	78.1	Confident	25 Å²	25	49 Å²	49	13%	0.128	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.4	171.6	-57.2	166.4	0	0	0	107.2	M473 Y485 F490 W509 L513 V533 I534	I471-M473 HydrophobicContact CB-CE 3.99Å; I471-M473 HydrophobicContact CD1-CE 4.46Å; I471-M473 HydrophobicContact CG2-CE 3.54Å; I471-M473 HydrophobicContact CG2-CG 4.03Å; I471-M473 HydrophobicContact CG2-SD 4.4Å; I471-M473 PolarHBondContact O-N 3.15Å; I471-Y485 HydrophobicContact CD1-CD1 4.24Å; I471-F490 HydrophobicContact CD1-CE1 4.14Å; I471-F490 HydrophobicContact CD1-CZ 4.31Å; I471-F490 HydrophobicContact CG1-CE1 3.9Å; I471-F490 HydrophobicContact CG1-CZ 4.11Å; I471-W509 HydrophobicContact CD1-CE3 4.06Å; I471-W509 HydrophobicContact CD1-CZ3 4.36Å; I471-L513 HydrophobicContact CD1-CD1 4.48Å; I471-L513 HydrophobicContact CG2-CD1 3.64Å; I471-V533 CarbonylContact C-O 3.57Å; I471-V533 WeakPolarHBondContact CA-O 3.48Å; I471-V533 HydrophobicContact CG2-CG1 3.83Å; I471-I534 HydrophobicContact CG1-CG1 4.21Å
472	N	80.8	Confident	77.3	Confident	104 Å²	104	48.7 Å²	48.7	56%	0.556	24%	0.241	S	C	*	.			trans	-80.9	97.6	175.7	-172.3	21.3	0	0	0	109	V533 Y535	N472-V533 PolarHBondContact N-O 2.86Å; N472-V533 WeakPolarHBondContact O-CG1 3.36Å; N472-Y535 HydrophobicContact CB-CD2 4.4Å; N472-Y535 HydrophobicContact CB-CE2 4.2Å
473	M	72.5	Confident	76.2	Confident	30 Å²	30	51.8 Å²	51.8	15%	0.148	26%	0.256	C	S	.	.			trans	-127.7	141.1	172.7	-82.3	178	-77.4	0	0	109.6	I471 Q477 H478 L481 Y485 L513	I471-M473 HydrophobicContact CB-CE 3.99Å; I471-M473 HydrophobicContact CD1-CE 4.46Å; I471-M473 HydrophobicContact CG2-CE 3.54Å; I471-M473 HydrophobicContact CG2-CG 4.03Å; I471-M473 HydrophobicContact CG2-SD 4.4Å; I471-M473 PolarHBondContact O-N 3.15Å; M473-Q477 HydrophobicContact CB-CB 4.42Å; M473-Q477 HydrophobicContact CG-CB 4.47Å; M473-H478 HydrophobicContact CB-CB 4.44Å; M473-L481 HydrophobicContact SD-CD1 3.84Å; M473-Y485 HydrophobicContact CE-CD2 4.49Å; M473-Y485 HydrophobicContact CE-CG 4.17Å; M473-Y485 HydrophobicContact SD-CD2 4.47Å; M473-L513 HydrophobicContact CG-CD2 4.31Å; M473-L513 HydrophobicContact SD-CD2 3.75Å
474	S	65.1	Low	75.4	Confident	56 Å²	56	56.6 Å²	56.6	39%	0.392	28%	0.278	S	S	.	.			trans	-62.6	150.8	165.3	71.7	0	0	0	0	111.1	K476 Q477 H478	S474-K476 PolarHBondContact O-N 2.74Å; S474-K476 VanDerWaalsContact O-N 3.1Å; S474-Q477 VanDerWaalsContact CB-OE1 3.26Å; S474-Q477 PolarHBondContact O-N 3.4Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 2.97Å; S474-Q477 PolarHBondContact OG-OE1 2.85Å; S474-H478 WeakPolarHBondContact O-CB 3.17Å; S474-H478 PolarHBondContact O-N 3.44Å
475	F	60.9	Low	74.9	Confident	158 Å²	158	55.7 Å²	55.7	69%	0.693	27%	0.274	S	S	*	.	H	α-helix	trans	-54.5	-31.4	176.7	-173.4	-101	0	0	0	113	H478 Q479	F475-H478 PolarHBondContact O-N 3.44Å; F475-Q479 HydrophobicContact CE1-CG 4.27Å; F475-Q479 VanDerWaalsContact CE1-NE2 3.3Å; F475-Q479 WeakPolarHBondContact O-CG 3.36Å; F475-Q479 PolarHBondContact O-N 2.88Å
476	K	62.9	Low	74.2	Confident	131 Å²	131	55.8 Å²	55.8	57%	0.57	28%	0.275	S	S	*	.	H	α-helix	trans	-68.6	-53.4	176.7	-68.4	-177	179.3	178.1	0	112.4	S474 H478 Q479 Q480 F522	S474-K476 PolarHBondContact O-N 2.74Å; S474-K476 VanDerWaalsContact O-N 3.1Å; K476-H478 PolarHBondContact O-N 3.39Å; K476-Q479 PolarHBondContact O-N 3.16Å; K476-Q479 VanDerWaalsContact O-N 3.17Å; K476-Q480 WeakPolarHBondContact O-CG 3.06Å; K476-Q480 PolarHBondContact O-N 2.81Å; K476-Q480 PolarHBondContact O-OE1 2.69Å; K476-F522 HydrophobicContact CD-CZ 4.48Å
477	Q	66.3	Low	73.5	Confident	20 Å²	20	59.9 Å²	59.9	9%	0.093	29%	0.293	C	S	.	.	H	α-helix	trans	-53.2	-42.3	173.4	-72.5	157.8	-57.5	0	0	110.1	M473 S474 Q479 Q480 L481 Y516 E517	M473-Q477 HydrophobicContact CB-CB 4.42Å; M473-Q477 HydrophobicContact CG-CB 4.47Å; S474-Q477 VanDerWaalsContact CB-OE1 3.26Å; S474-Q477 PolarHBondContact O-N 3.4Å; S474-Q477 WeakPolarHBondContact OG-CG 3.32Å; S474-Q477 PolarHBondContact OG-N 2.97Å; S474-Q477 PolarHBondContact OG-OE1 2.85Å; Q477-Q479 PolarHBondContact O-N 2.89Å; Q477-Q480 PolarHBondContact O-N 2.94Å; Q477-L481 HydrophobicContact CB-CD1 4.49Å; Q477-L481 WeakPolarHBondContact O-CB 3.35Å; Q477-L481 VanDerWaalsContact O-CG 3.28Å; Q477-L481 WeakPolarHBondContact O-CG 3.37Å; Q477-L481 PolarHBondContact O-N 3.16Å; Q477-Y516 HydrophobicContact CG-CD1 4.3Å; Q477-Y516 HydrophobicContact CG-CE1 4.04Å; Q477-E517 PolarHBondContact NE2-OE1 3.08Å
478	H	65.6	Low	73	Confident	27 Å²	27	63.5 Å²	63.5	13%	0.125	31%	0.31	C	S	.	.	H	α-helix	trans	-72.8	-24.3	-175.6	-159.4	52.5	0	0	0	114.7	M473 S474 F475 K476 Y485 K487	M473-H478 HydrophobicContact CB-CB 4.44Å; S474-H478 WeakPolarHBondContact O-CB 3.17Å; S474-H478 PolarHBondContact O-N 3.44Å; F475-H478 PolarHBondContact O-N 3.44Å; K476-H478 PolarHBondContact O-N 3.39Å; H478-Y485 PolarHBondContact CE1-O 2.82Å; H478-K487 WeakPolarHBondContact NE2-CA 3.29Å; H478-K487 WeakPolarHBondContact NE2-CD 3.37Å; H478-K487 WeakPolarHBondContact NE2-CG 3.22Å
479	Q	62.8	Low	72.7	Confident	115 Å²	115	65.6 Å²	65.6	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-73.4	-47.2	164.8	-75.6	-178	-30.4	0	0	111.3	F475 K476 Q477 L481 N482	F475-Q479 HydrophobicContact CE1-CG 4.27Å; F475-Q479 VanDerWaalsContact CE1-NE2 3.3Å; F475-Q479 WeakPolarHBondContact O-CG 3.36Å; F475-Q479 PolarHBondContact O-N 2.88Å; K476-Q479 PolarHBondContact O-N 3.16Å; K476-Q479 VanDerWaalsContact O-N 3.17Å; Q477-Q479 PolarHBondContact O-N 2.89Å; Q479-L481 VanDerWaalsContact C-N 3.3Å; Q479-L481 PolarHBondContact O-N 2.71Å; Q479-N482 PolarHBondContact O-N 3.4Å
480	Q	63.9	Low	72.7	Confident	99 Å²	99	65.6 Å²	65.6	46%	0.463	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-33.3	-176.7	-69.6	168.1	-51.2	0	0	113.1	K476 Q477 N482 Y516	K476-Q480 WeakPolarHBondContact O-CG 3.06Å; K476-Q480 PolarHBondContact O-N 2.81Å; K476-Q480 PolarHBondContact O-OE1 2.69Å; Q477-Q480 PolarHBondContact O-N 2.94Å; Q480-N482 VanDerWaalsContact C-N 3.25Å; Q480-N482 PolarHBondContact O-N 2.87Å; Q480-Y516 PolarHBondContact OE1-OH 3.46Å
481	L	67.7	Low	72.7	Confident	23 Å²	23	64.2 Å²	64.2	12%	0.12	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	20.8	-179.4	-64.9	169.1	0	0	0	113.9	M473 Q477 Q479 H483 Q484 Y485 L513 Y516	M473-L481 HydrophobicContact SD-CD1 3.84Å; Q477-L481 HydrophobicContact CB-CD1 4.49Å; Q477-L481 WeakPolarHBondContact O-CB 3.35Å; Q477-L481 VanDerWaalsContact O-CG 3.28Å; Q477-L481 WeakPolarHBondContact O-CG 3.37Å; Q477-L481 PolarHBondContact O-N 3.16Å; Q479-L481 VanDerWaalsContact C-N 3.3Å; Q479-L481 PolarHBondContact O-N 2.71Å; L481-H483 VanDerWaalsContact C-N 3.31Å; L481-H483 PolarHBondContact O-N 3.35Å; L481-Q484 WeakPolarHBondContact O-CB 3.4Å; L481-Q484 PolarHBondContact O-N 2.91Å; L481-Y485 HydrophobicContact CB-CD2 4.1Å; L481-Y485 HydrophobicContact CB-CE2 4.13Å; L481-Y485 HydrophobicContact CD1-CD2 4.13Å; L481-Y485 HydrophobicContact CD1-CE2 3.93Å; L481-Y485 HydrophobicContact CD2-CE2 4.29Å; L481-Y485 HydrophobicContact CG-CE2 4.35Å; L481-L513 HydrophobicContact CD1-CD2 3.9Å; L481-Y516 HydrophobicContact CD2-CD2 3.92Å; L481-Y516 HydrophobicContact CD2-CE2 3.96Å; L481-Y516 HydrophobicContact CD2-CG 4.37Å
482	N	58.7	Low	72.9	Confident	138 Å²	138	63.8 Å²	63.8	74%	0.738	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.8	46.4	164.1	-76.3	-27.1	0	0	0	115.9	Q479 Q480 Q484	Q479-N482 PolarHBondContact O-N 3.4Å; Q480-N482 VanDerWaalsContact C-N 3.25Å; Q480-N482 PolarHBondContact O-N 2.87Å; N482-Q484 PolarHBondContact O-N 2.9Å; N482-Q484 VanDerWaalsContact O-N 3.12Å
483	H	62.9	Low	73.1	Confident	84 Å²	84	59.3 Å²	59.3	39%	0.389	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	13.6	178.2	-61	-152.1	0	0	0	115.2	L481 Y485 K487 Q659	L481-H483 VanDerWaalsContact C-N 3.31Å; L481-H483 PolarHBondContact O-N 3.35Å; H483-Y485 PolarHBondContact O-N 3.4Å; H483-Y485 VanDerWaalsContact O-N 3.16Å; H483-K487 PolarHBondContact CD2-NZ 3.49Å; H483-K487 PolarHBondContact CE1-NZ 2.82Å; H483-K487 PolarHBondContact NE2-NZ 2.95Å; H483-Q659 PolarHBondContact O-NE2 3.19Å
484	Q	71.6	Confident	73.4	Confident	109 Å²	109	60.9 Å²	60.9	51%	0.509	30%	0.298	S	S	.	.			trans	-61.9	-23.7	-177.6	-175.5	173.5	37.8	0	0	113.9	L481 N482	L481-Q484 WeakPolarHBondContact O-CB 3.4Å; L481-Q484 PolarHBondContact O-N 2.91Å; N482-Q484 PolarHBondContact O-N 2.9Å; N482-Q484 VanDerWaalsContact O-N 3.12Å
485	Y	78	Confident	74	Confident	5 Å²	5	61.4 Å²	61.4	2%	0.02	30%	0.302	C	S	.	.	S	Bend	trans	-120.5	150.3	-176	-56.9	-85.6	0	0	0	111.1	I471 M473 H478 L481 H483 K487 W509 L513 Q659	I471-Y485 HydrophobicContact CD1-CD1 4.24Å; M473-Y485 HydrophobicContact CE-CD2 4.49Å; M473-Y485 HydrophobicContact CE-CG 4.17Å; M473-Y485 HydrophobicContact SD-CD2 4.47Å; H478-Y485 PolarHBondContact CE1-O 2.82Å; L481-Y485 HydrophobicContact CB-CD2 4.1Å; L481-Y485 HydrophobicContact CB-CE2 4.13Å; L481-Y485 HydrophobicContact CD1-CD2 4.13Å; L481-Y485 HydrophobicContact CD1-CE2 3.93Å; L481-Y485 HydrophobicContact CD2-CE2 4.29Å; L481-Y485 HydrophobicContact CG-CE2 4.35Å; H483-Y485 PolarHBondContact O-N 3.4Å; H483-Y485 VanDerWaalsContact O-N 3.16Å; Y485-K487 PolarHBondContact O-N 3.21Å; Y485-W509 HydrophobicContact CD1-CB 4.21Å; Y485-W509 AromaticContact CD1-CD1 3.86Å; Y485-W509 HydrophobicContact CD1-CD2 4.06Å; Y485-W509 AromaticContact CD1-CG 3.81Å; Y485-W509 HydrophobicContact CD1-CG 3.81Å; Y485-W509 HydrophobicContact CE1-CB 3.89Å; Y485-W509 AromaticContact CE1-CD1 3.48Å; Y485-W509 VanDerWaalsContact CE1-CD1 3.48Å; Y485-W509 HydrophobicContact CE1-CD2 4.38Å; Y485-W509 AromaticContact CE1-CG 3.67Å; Y485-W509 HydrophobicContact CE1-CG 3.67Å; Y485-L513 HydrophobicContact CD1-CD1 4.06Å; Y485-L513 HydrophobicContact CD1-CD2 4.3Å; Y485-L513 HydrophobicContact CD1-CG 4.34Å; Y485-L513 HydrophobicContact CD2-CD2 4.15Å; Y485-L513 HydrophobicContact CE1-CD1 4Å; Y485-L513 HydrophobicContact CE1-CD2 4.04Å; Y485-L513 HydrophobicContact CE1-CG 3.87Å; Y485-L513 HydrophobicContact CE2-CD2 3.9Å; Y485-L513 HydrophobicContact CG-CD2 4.37Å; Y485-Q659 PolarHBondContact O-NE2 3.5Å
486	P	77	Confident	75	Confident	6 Å²	6	54.5 Å²	54.5	4%	0.039	28%	0.275	C	S	.	.			trans	-49.2	128.7	175.3	-31.3	36.8	0	0	0	114.8	F490 W509 Q659	P486-F490 HydrophobicContact CB-CB 4.33Å; P486-F490 HydrophobicContact CB-CD1 3.38Å; P486-F490 HydrophobicContact CB-CE1 3.86Å; P486-F490 HydrophobicContact CB-CG 4.04Å; P486-F490 HydrophobicContact CG-CB 4.47Å; P486-F490 HydrophobicContact CG-CD1 3.66Å; P486-F490 HydrophobicContact CG-CE1 3.94Å; P486-F490 HydrophobicContact CG-CG 3.99Å; P486-F490 HydrophobicContact CG-CZ 4.48Å; P486-W509 VanDerWaalsContact CD-CH2 3.42Å; P486-W509 HydrophobicContact CG-CH2 3.58Å; P486-W509 HydrophobicContact CG-CZ3 3.79Å; P486-Q659 HydrophobicContact CB-CG 4.43Å; P486-Q659 HydrophobicContact CG-CG 4.28Å
487	K	75.2	Confident	75.9	Confident	85 Å²	85	55 Å²	55	37%	0.37	28%	0.278	S	S	.	.	S	Bend	trans	-79.9	-21	176.4	-56.7	-128.2	167.9	-169.9	0	114.6	H478 H483 Y485	H478-K487 WeakPolarHBondContact NE2-CA 3.29Å; H478-K487 WeakPolarHBondContact NE2-CD 3.37Å; H478-K487 WeakPolarHBondContact NE2-CG 3.22Å; H483-K487 PolarHBondContact CD2-NZ 3.49Å; H483-K487 PolarHBondContact CE1-NZ 2.82Å; H483-K487 PolarHBondContact NE2-NZ 2.95Å; Y485-K487 PolarHBondContact O-N 3.21Å
488	H	81	Confident	76.7	Confident	77 Å²	77	55 Å²	55	36%	0.356	28%	0.278	S	S	.	.	S	Bend	trans	-129.1	164.6	-173.7	-57.9	-64.9	0	0	0	108.8	F490 T653	H488-F490 PolarHBondContact O-N 2.83Å; H488-T653 HydrophobicContact CB-CG2 4.01Å
489	P	87.3	Confident	77.6	Confident	44 Å²	44	56.2 Å²	56.2	29%	0.286	29%	0.288	S	S	.	.			trans	-47.5	139.6	164.4	-24.6	33.5	0	0	0	110.7	G469 T470 L654 S655	G469-P489 CarbonylContact O-C 3.53Å; G469-P489 WeakPolarHBondContact O-CA 3.39Å; T470-P489 HydrophobicContact CG2-CB 3.89Å; T470-P489 HydrophobicContact CG2-CG 3.86Å; P489-L654 HydrophobicContact CB-CD2 3.81Å; P489-L654 WeakPolarHBondContact O-CA 3.27Å; P489-S655 PolarHBondContact O-N 3.13Å; P489-S655 PolarHBondContact O-OG 2.69Å; P489-S655 VanDerWaalsContact O-OG 3.13Å
490	F	90.2	Very high	78.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	143.5	-174.8	51.9	-83.5	0	0	0	111.8	T468 G469 I471 P486 H488 L492 L506 W509 S655 L657	T468-F490 CarbonylContact C-O 3.58Å; T468-F490 WeakPolarHBondContact CA-O 3.15Å; T468-F490 WeakPolarHBondContact CB-O 3.32Å; G469-F490 VanDerWaalsContact C-CE1 3.48Å; G469-F490 PolarHBondContact N-O 2.65Å; G469-F490 WeakPolarHBondContact O-CD1 3.39Å; G469-F490 WeakPolarHBondContact O-CE1 3.16Å; G469-F490 PolarHBondContact O-N 3.12Å; I471-F490 HydrophobicContact CD1-CE1 4.14Å; I471-F490 HydrophobicContact CD1-CZ 4.31Å; I471-F490 HydrophobicContact CG1-CE1 3.9Å; I471-F490 HydrophobicContact CG1-CZ 4.11Å; P486-F490 HydrophobicContact CB-CB 4.33Å; P486-F490 HydrophobicContact CB-CD1 3.38Å; P486-F490 HydrophobicContact CB-CE1 3.86Å; P486-F490 HydrophobicContact CB-CG 4.04Å; P486-F490 HydrophobicContact CG-CB 4.47Å; P486-F490 HydrophobicContact CG-CD1 3.66Å; P486-F490 HydrophobicContact CG-CE1 3.94Å; P486-F490 HydrophobicContact CG-CG 3.99Å; P486-F490 HydrophobicContact CG-CZ 4.48Å; H488-F490 PolarHBondContact O-N 2.83Å; F490-L492 HydrophobicContact CD2-CD2 4.13Å; F490-L492 HydrophobicContact CD2-CG 4.03Å; F490-L492 HydrophobicContact CE2-CD1 4.15Å; F490-L492 HydrophobicContact CE2-CD2 3.88Å; F490-L492 HydrophobicContact CE2-CG 3.96Å; F490-L506 HydrophobicContact CE2-CD2 4.11Å; F490-L506 HydrophobicContact CZ-CD2 4.34Å; F490-W509 HydrophobicContact CE2-CZ3 4.08Å; F490-W509 HydrophobicContact CZ-CZ3 4.1Å; F490-S655 CarbonylContact C-O 3.54Å; F490-S655 WeakPolarHBondContact CA-O 3.37Å; F490-S655 WeakPolarHBondContact CB-OG 3.44Å; F490-L657 HydrophobicContact CD2-CD1 3.65Å; F490-L657 HydrophobicContact CE2-CD1 3.76Å
491	V	90.6	Very high	79.6	Confident	12 Å²	12	54.1 Å²	54.1	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	127.2	178.2	177.4	0	0	0	0	110.1	T468 N494 V638 L654 S655	T468-V491 HydrophobicContact CG2-CG2 4.39Å; V491-N494 WeakPolarHBondContact CG1-OD1 3.27Å; V491-V638 HydrophobicContact CG1-CG2 4.43Å; V491-V638 HydrophobicContact CG2-CB 4.29Å; V491-V638 HydrophobicContact CG2-CG2 4.08Å; V491-L654 HydrophobicContact CG2-CD2 4.33Å; V491-S655 PolarHBondContact N-O 3.47Å
492	L	89.7	Confident	80.5	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-34.6	174.7	-75	168.1	0	0	0	112.1	I467 F490 T502 L506 L536 L657	I467-L492 HydrophobicContact CB-CB 4.47Å; I467-L492 HydrophobicContact CG2-CB 4.23Å; I467-L492 HydrophobicContact CG2-CD1 4.29Å; I467-L492 WeakPolarHBondContact O-CB 3.19Å; I467-L492 PolarHBondContact O-N 3.49Å; F490-L492 HydrophobicContact CD2-CD2 4.13Å; F490-L492 HydrophobicContact CD2-CG 4.03Å; F490-L492 HydrophobicContact CE2-CD1 4.15Å; F490-L492 HydrophobicContact CE2-CD2 3.88Å; F490-L492 HydrophobicContact CE2-CG 3.96Å; L492-T502 HydrophobicContact CD2-CG2 3.37Å; L492-L506 HydrophobicContact CD1-CD1 4.02Å; L492-L506 HydrophobicContact CD2-CD1 3.88Å; L492-L506 HydrophobicContact CD2-CD2 4.25Å; L492-L506 HydrophobicContact CD2-CG 4.28Å; L492-L536 HydrophobicContact CD1-CD2 3.36Å; L492-L657 HydrophobicContact CD2-CD1 3.92Å; L492-L657 HydrophobicContact CD2-CD2 4.24Å
493	S	86.2	Confident	81.8	Confident	10 Å²	10	49.7 Å²	49.7	7%	0.07	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	146.6	175.7	-170.1	0	0	0	0	112.1	V466 I467 S495 G496 F497	V466-S493 CarbonylContact C-O 3.57Å; V466-S493 WeakPolarHBondContact CA-O 3.29Å; I467-S493 PolarHBondContact N-O 3.39Å; I467-S493 PolarHBondContact O-N 2.69Å; I467-S493 VanDerWaalsContact O-N 3.13Å; S493-S495 PolarHBondContact OG-N 2.9Å; S493-S495 VanDerWaalsContact OG-N 3.14Å; S493-S495 PolarHBondContact OG-OG 2.62Å; S493-G496 PolarHBondContact OG-N 2.91Å; S493-F497 WeakPolarHBondContact CB-O 3.46Å; S493-F497 PolarHBondContact OG-N 2.86Å; S493-F497 PolarHBondContact OG-O 2.95Å
494	N	78.3	Confident	83	Confident	63 Å²	63	51 Å²	51	34%	0.337	27%	0.267	S	S	.	.	S	Bend	trans	-108.8	9.1	168.9	-67.3	0.5	0	0	0	112.2	H465 V491 V638	H465-N494 CarbonylContact O-C 3.54Å; V491-N494 WeakPolarHBondContact CG1-OD1 3.27Å; N494-V638 WeakPolarHBondContact OD1-CG2 3.33Å
495	S	78.2	Confident	83.9	Confident	66 Å²	66	48.8 Å²	48.8	46%	0.462	26%	0.255	S	S	.	.	S	Bend	trans	-127.6	-1.7	-179.8	61.8	0	0	0	0	113.9	H465 S493 F497	H465-S495 CarbonylContact O-C 3.59Å; H465-S495 PolarHBondContact O-N 2.86Å; H465-S495 VanDerWaalsContact O-N 3.16Å; S493-S495 PolarHBondContact OG-N 2.9Å; S493-S495 VanDerWaalsContact OG-N 3.14Å; S493-S495 PolarHBondContact OG-OG 2.62Å; S495-F497 PolarHBondContact O-N 2.81Å; S495-F497 PolarHBondContact OG-N 2.82Å
496	G	81.4	Confident	84.4	Confident	13 Å²	13	48.5 Å²	48.5	13%	0.134	25%	0.254	C	S	.	.	S	Bend	trans	82.4	-16.1	-168.4	0	0	0	0	0	115.1	H465 I467 S493	H465-G496 WeakPolarHBondContact CE1-CA 3.49Å; H465-G496 VanDerWaalsContact CG-CA 3.47Å; H465-G496 WeakPolarHBondContact ND1-CA 3.44Å; H465-G496 WeakPolarHBondContact NE2-CA 3.33Å; H465-G496 PolarHBondContact O-N 3.09Å; I467-G496 VanDerWaalsContact CD1-O 3.26Å; I467-G496 WeakPolarHBondContact CD1-O 3.48Å; S493-G496 PolarHBondContact OG-N 2.91Å
497	F	82.3	Confident	84.8	Confident	143 Å²	143	49.8 Å²	49.8	63%	0.627	26%	0.261	S	S	*	.	P	Polyproline II helix	trans	-87.3	120.9	179.5	-174.5	-101.8	0	0	0	111.3	S493 S495 T499	S493-F497 WeakPolarHBondContact CB-O 3.46Å; S493-F497 PolarHBondContact OG-N 2.86Å; S493-F497 PolarHBondContact OG-O 2.95Å; S495-F497 PolarHBondContact O-N 2.81Å; S495-F497 PolarHBondContact OG-N 2.82Å; F497-T499 HydrophobicContact CD1-CG2 4.39Å; F497-T499 HydrophobicContact CE1-CG2 4.23Å
498	I	82.9	Confident	85.4	Confident	18 Å²	18	50.9 Å²	50.9	9%	0.092	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-95.7	122.8	172.3	-52.4	178.6	0	0	0	108.1	I443 I467 T502 K503 L536	I443-I498 HydrophobicContact CD1-CD1 4.39Å; I467-I498 HydrophobicContact CD1-CD1 4Å; I467-I498 HydrophobicContact CD1-CG1 3.88Å; I467-I498 HydrophobicContact CG2-CD1 4.25Å; I498-T502 HydrophobicContact CG2-CG2 3.55Å; I498-K503 HydrophobicContact CG2-CG 3.93Å; I498-L536 HydrophobicContact CD1-CD1 4.18Å
499	T	83.4	Confident	85.7	Confident	54 Å²	54	48.4 Å²	48.4	33%	0.331	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-68.3	156.7	-178.3	67.7	0	0	0	0	112.4	F497 E501 T502 K503	F497-T499 HydrophobicContact CD1-CG2 4.39Å; F497-T499 HydrophobicContact CE1-CG2 4.23Å; T499-E501 VanDerWaalsContact C-N 3.34Å; T499-E501 PolarHBondContact O-N 3.09Å; T499-T502 WeakPolarHBondContact O-CA 3.43Å; T499-T502 WeakPolarHBondContact O-CB 3.25Å; T499-T502 PolarHBondContact O-N 2.85Å; T499-T502 VanDerWaalsContact O-N 3.08Å; T499-T502 WeakPolarHBondContact OG1-CB 3.48Å; T499-T502 PolarHBondContact OG1-N 2.85Å; T499-T502 VanDerWaalsContact OG1-N 3.15Å; T499-T502 PolarHBondContact OG1-OG1 3.09Å; T499-K503 PolarHBondContact O-N 3.49Å
500	S	84.2	Confident	85.6	Confident	73 Å²	73	47.7 Å²	47.7	51%	0.51	25%	0.249	S	C	.	.	H	α-helix	trans	-56.8	-44.8	174.1	46.3	0	0	0	0	112.4	T502 K503 Q504	S500-T502 VanDerWaalsContact C-N 3.31Å; S500-T502 PolarHBondContact O-N 3.21Å; S500-K503 PolarHBondContact O-N 2.95Å; S500-Q504 WeakPolarHBondContact O-CG 3.23Å; S500-Q504 PolarHBondContact O-N 3.04Å
501	E	84.7	Confident	85.2	Confident	97 Å²	97	51 Å²	51	45%	0.453	27%	0.271	S	S	.	.	H	α-helix	trans	-55.1	-44.9	171.6	-173.8	-155.8	163.7	0	0	111.7	T499 Q504 K505	T499-E501 VanDerWaalsContact C-N 3.34Å; T499-E501 PolarHBondContact O-N 3.09Å; E501-Q504 PolarHBondContact O-N 3.38Å; E501-K505 WeakPolarHBondContact O-CB 3.24Å; E501-K505 PolarHBondContact O-N 2.87Å
502	T	86.2	Confident	84.8	Confident	14 Å²	14	55 Å²	55	9%	0.086	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-42.4	178.2	-60.4	0	0	0	0	111.5	L492 I498 T499 S500 K505 L506 L657	L492-T502 HydrophobicContact CD2-CG2 3.37Å; I498-T502 HydrophobicContact CG2-CG2 3.55Å; T499-T502 WeakPolarHBondContact O-CA 3.43Å; T499-T502 WeakPolarHBondContact O-CB 3.25Å; T499-T502 PolarHBondContact O-N 2.85Å; T499-T502 VanDerWaalsContact O-N 3.08Å; T499-T502 WeakPolarHBondContact OG1-CB 3.48Å; T499-T502 PolarHBondContact OG1-N 2.85Å; T499-T502 VanDerWaalsContact OG1-N 3.15Å; T499-T502 PolarHBondContact OG1-OG1 3.09Å; S500-T502 VanDerWaalsContact C-N 3.31Å; S500-T502 PolarHBondContact O-N 3.21Å; T502-K505 PolarHBondContact O-N 2.96Å; T502-L506 HydrophobicContact CG2-CD1 4.38Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 2.94Å; T502-L657 HydrophobicContact CG2-CD2 3.76Å
503	K	87.6	Confident	84.3	Confident	53 Å²	53	54.4 Å²	54.4	23%	0.23	28%	0.284	C	S	.	.	H	α-helix	trans	-60.2	-47.7	172.8	-71.7	-165.9	173.3	-163.1	0	111	Y437 E439 C441 I498 T499 S500 K505 L506 N507	Y437-K503 PolarHBondContact OH-O 2.97Å; E439-K503 WeakPolarHBondContact O-CE 3.37Å; E439-K503 PolarHBondContact O-NZ 3.3Å; C441-K503 PolarHBondContact O-NZ 2.77Å; I498-K503 HydrophobicContact CG2-CG 3.93Å; T499-K503 PolarHBondContact O-N 3.49Å; S500-K503 PolarHBondContact O-N 2.95Å; K503-K505 VanDerWaalsContact C-N 3.33Å; K503-K505 PolarHBondContact O-N 3.34Å; K503-L506 PolarHBondContact O-N 3.16Å; K503-N507 VanDerWaalsContact O-CG 3.24Å; K503-N507 PolarHBondContact O-N 2.97Å; K503-N507 PolarHBondContact O-ND2 3.28Å
504	Q	87.8	Confident	83.8	Confident	112 Å²	112	55.6 Å²	55.6	52%	0.523	29%	0.29	S	S	.	.	H	α-helix	trans	-57.6	-42.4	176	-72.8	174	-2.1	0	0	112.6	S500 E501 N507 Q508	S500-Q504 WeakPolarHBondContact O-CG 3.23Å; S500-Q504 PolarHBondContact O-N 3.04Å; E501-Q504 PolarHBondContact O-N 3.38Å; Q504-N507 PolarHBondContact O-N 3.43Å; Q504-Q508 VanDerWaalsContact O-CG 3.32Å; Q504-Q508 WeakPolarHBondContact O-CG 3.49Å; Q504-Q508 PolarHBondContact O-N 3Å
505	K	88.8	Confident	83.6	Confident	62 Å²	62	58 Å²	58	27%	0.27	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-42.5	176.9	-165.5	-178.6	-171.9	-174	0	112	E501 T502 K503 Q508 W509 L657	E501-K505 WeakPolarHBondContact O-CB 3.24Å; E501-K505 PolarHBondContact O-N 2.87Å; T502-K505 PolarHBondContact O-N 2.96Å; K503-K505 VanDerWaalsContact C-N 3.33Å; K503-K505 PolarHBondContact O-N 3.34Å; K505-Q508 PolarHBondContact O-N 3.49Å; K505-W509 HydrophobicContact CD-CZ2 4.26Å; K505-W509 HydrophobicContact CG-CZ2 4.38Å; K505-W509 PolarHBondContact O-N 3.34Å; K505-L657 HydrophobicContact CD-CD2 4.25Å; K505-L657 HydrophobicContact CD-CG 4.27Å; K505-L657 PolarHBondContact NZ-O 3.03Å
506	L	88.7	Confident	83.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-41.5	174.9	-72	178.6	0	0	0	112.2	Y437 F490 L492 T502 K503 W509 N510 I534	Y437-L506 HydrophobicContact CD1-CB 4.48Å; Y437-L506 HydrophobicContact CD2-CD1 3.94Å; Y437-L506 HydrophobicContact CE1-CB 3.82Å; Y437-L506 HydrophobicContact CE2-CB 3.93Å; Y437-L506 HydrophobicContact CE2-CD1 3.51Å; Y437-L506 HydrophobicContact CE2-CG 4.38Å; F490-L506 HydrophobicContact CE2-CD2 4.11Å; F490-L506 HydrophobicContact CZ-CD2 4.34Å; L492-L506 HydrophobicContact CD1-CD1 4.02Å; L492-L506 HydrophobicContact CD2-CD1 3.88Å; L492-L506 HydrophobicContact CD2-CD2 4.25Å; L492-L506 HydrophobicContact CD2-CG 4.28Å; T502-L506 HydrophobicContact CG2-CD1 4.38Å; T502-L506 WeakPolarHBondContact O-CG 3.36Å; T502-L506 PolarHBondContact O-N 2.94Å; K503-L506 PolarHBondContact O-N 3.16Å; L506-W509 HydrophobicContact CD2-CE3 4Å; L506-W509 HydrophobicContact CD2-CZ3 4.34Å; L506-W509 PolarHBondContact O-N 3.38Å; L506-N510 WeakPolarHBondContact O-CB 3.31Å; L506-N510 PolarHBondContact O-N 2.85Å; L506-I534 HydrophobicContact CD2-CD1 4.18Å; L506-I534 HydrophobicContact CD2-CG2 4.27Å
507	N	87	Confident	82.4	Confident	32 Å²	32	60.6 Å²	60.6	17%	0.171	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-49.6	172.7	-68	-26.8	0	0	0	111.6	Y437 E439 K503 Q504 W509 N510 C511	Y437-N507 WeakPolarHBondContact CE1-OD1 3.39Å; Y437-N507 PolarHBondContact OH-OD1 3.47Å; Y437-N507 VanDerWaalsContact OH-OD1 3.06Å; E439-N507 PolarHBondContact OE1-ND2 2.97Å; K503-N507 VanDerWaalsContact O-CG 3.24Å; K503-N507 PolarHBondContact O-N 2.97Å; K503-N507 PolarHBondContact O-ND2 3.28Å; Q504-N507 PolarHBondContact O-N 3.43Å; N507-W509 VanDerWaalsContact C-N 3.25Å; N507-W509 PolarHBondContact O-N 2.85Å; N507-N510 PolarHBondContact O-N 3.39Å; N507-N510 VanDerWaalsContact O-N 3.17Å; N507-C511 PolarHBondContact O-N 2.87Å; N507-C511 PolarHBondContact O-SG 3.49Å
508	Q	87	Confident	81.4	Confident	108 Å²	108	58 Å²	58	51%	0.505	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-36.7	178.3	-73.7	177.9	31.8	0	0	112.3	Q504 K505 K512	Q504-Q508 VanDerWaalsContact O-CG 3.32Å; Q504-Q508 WeakPolarHBondContact O-CG 3.49Å; Q504-Q508 PolarHBondContact O-N 3Å; K505-Q508 PolarHBondContact O-N 3.49Å; Q508-K512 WeakPolarHBondContact O-CB 3.38Å; Q508-K512 WeakPolarHBondContact O-CD 3.35Å; Q508-K512 VanDerWaalsContact O-CG 3.24Å; Q508-K512 WeakPolarHBondContact O-CG 3.34Å; Q508-K512 PolarHBondContact O-N 3.48Å
509	W	87.4	Confident	80.3	Confident	25 Å²	25	63.5 Å²	63.5	10%	0.095	33%	0.327	C	S	.	.	H	α-helix	trans	-69.4	-47.8	173.1	-72.1	-10	0	0	0	111.8	I471 Y485 P486 F490 K505 L506 N507 C511 K512 L513 I534 L657	I471-W509 HydrophobicContact CD1-CE3 4.06Å; I471-W509 HydrophobicContact CD1-CZ3 4.36Å; Y485-W509 HydrophobicContact CD1-CB 4.21Å; Y485-W509 AromaticContact CD1-CD1 3.86Å; Y485-W509 HydrophobicContact CD1-CD2 4.06Å; Y485-W509 AromaticContact CD1-CG 3.81Å; Y485-W509 HydrophobicContact CD1-CG 3.81Å; Y485-W509 HydrophobicContact CE1-CB 3.89Å; Y485-W509 AromaticContact CE1-CD1 3.48Å; Y485-W509 VanDerWaalsContact CE1-CD1 3.48Å; Y485-W509 HydrophobicContact CE1-CD2 4.38Å; Y485-W509 AromaticContact CE1-CG 3.67Å; Y485-W509 HydrophobicContact CE1-CG 3.67Å; P486-W509 VanDerWaalsContact CD-CH2 3.42Å; P486-W509 HydrophobicContact CG-CH2 3.58Å; P486-W509 HydrophobicContact CG-CZ3 3.79Å; F490-W509 HydrophobicContact CE2-CZ3 4.08Å; F490-W509 HydrophobicContact CZ-CZ3 4.1Å; K505-W509 HydrophobicContact CD-CZ2 4.26Å; K505-W509 HydrophobicContact CG-CZ2 4.38Å; K505-W509 PolarHBondContact O-N 3.34Å; L506-W509 HydrophobicContact CD2-CE3 4Å; L506-W509 HydrophobicContact CD2-CZ3 4.34Å; L506-W509 PolarHBondContact O-N 3.38Å; N507-W509 VanDerWaalsContact C-N 3.25Å; N507-W509 PolarHBondContact O-N 2.85Å; W509-C511 PolarHBondContact O-N 3.36Å; W509-K512 PolarHBondContact O-N 2.86Å; W509-L513 HydrophobicContact CB-CD1 4.47Å; W509-L513 WeakPolarHBondContact O-CB 3.41Å; W509-L513 WeakPolarHBondContact O-CD1 3.46Å; W509-L513 WeakPolarHBondContact O-CG 3.41Å; W509-L513 PolarHBondContact O-N 3.43Å; W509-I534 HydrophobicContact CB-CD1 3.92Å; W509-L657 HydrophobicContact CH2-CD1 3.68Å; W509-L657 HydrophobicContact CZ3-CD1 3.63Å
510	N	84.5	Confident	78.9	Confident	30 Å²	30	62.2 Å²	62.2	16%	0.16	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-45.6	-178	-160.6	59.5	0	0	0	111.3	L506 N507 L513 L514 I534	L506-N510 WeakPolarHBondContact O-CB 3.31Å; L506-N510 PolarHBondContact O-N 2.85Å; N507-N510 PolarHBondContact O-N 3.39Å; N507-N510 VanDerWaalsContact O-N 3.17Å; N510-L513 PolarHBondContact O-N 2.89Å; N510-L514 WeakPolarHBondContact O-CB 3.39Å; N510-L514 WeakPolarHBondContact O-CG 3.39Å; N510-L514 PolarHBondContact O-N 3.18Å; N510-I534 HydrophobicContact CB-CD1 3.93Å; N510-I534 HydrophobicContact CB-CG1 4.33Å
511	C	82.4	Confident	76.9	Confident	70 Å²	70	66.2 Å²	66.2	47%	0.473	34%	0.335	S	S	.	.	H	α-helix	trans	-59.4	-50.8	175.1	-63.4	0	0	0	0	112.1	N507 W509 L513 L514 E515	N507-C511 PolarHBondContact O-N 2.87Å; N507-C511 PolarHBondContact O-SG 3.49Å; W509-C511 PolarHBondContact O-N 3.36Å; C511-L513 VanDerWaalsContact C-N 3.33Å; C511-L513 PolarHBondContact O-N 2.57Å; C511-L514 PolarHBondContact O-N 3.36Å; C511-E515 WeakPolarHBondContact O-CB 3.26Å; C511-E515 VanDerWaalsContact O-CG 3.28Å; C511-E515 WeakPolarHBondContact O-CG 3.38Å; C511-E515 PolarHBondContact O-N 2.84Å
512	K	81.9	Confident	75	Confident	94 Å²	94	66.6 Å²	66.6	41%	0.409	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-34.2	-178.5	-73.6	172.9	-177.9	170.5	0	113.5	Q508 W509 Y516	Q508-K512 WeakPolarHBondContact O-CB 3.38Å; Q508-K512 WeakPolarHBondContact O-CD 3.35Å; Q508-K512 VanDerWaalsContact O-CG 3.24Å; Q508-K512 WeakPolarHBondContact O-CG 3.34Å; Q508-K512 PolarHBondContact O-N 3.48Å; W509-K512 PolarHBondContact O-N 2.86Å; K512-Y516 WeakPolarHBondContact O-CB 3.26Å; K512-Y516 PolarHBondContact O-N 2.88Å
513	L	79.9	Confident	72.2	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-72.5	-41.2	176.9	-69.5	166.1	0	0	0	111.1	I471 M473 L481 Y485 W509 N510 C511 Y516 E517 V533	I471-L513 HydrophobicContact CD1-CD1 4.48Å; I471-L513 HydrophobicContact CG2-CD1 3.64Å; M473-L513 HydrophobicContact CG-CD2 4.31Å; M473-L513 HydrophobicContact SD-CD2 3.75Å; L481-L513 HydrophobicContact CD1-CD2 3.9Å; Y485-L513 HydrophobicContact CD1-CD1 4.06Å; Y485-L513 HydrophobicContact CD1-CD2 4.3Å; Y485-L513 HydrophobicContact CD1-CG 4.34Å; Y485-L513 HydrophobicContact CD2-CD2 4.15Å; Y485-L513 HydrophobicContact CE1-CD1 4Å; Y485-L513 HydrophobicContact CE1-CD2 4.04Å; Y485-L513 HydrophobicContact CE1-CG 3.87Å; Y485-L513 HydrophobicContact CE2-CD2 3.9Å; Y485-L513 HydrophobicContact CG-CD2 4.37Å; W509-L513 HydrophobicContact CB-CD1 4.47Å; W509-L513 WeakPolarHBondContact O-CB 3.41Å; W509-L513 WeakPolarHBondContact O-CD1 3.46Å; W509-L513 WeakPolarHBondContact O-CG 3.41Å; W509-L513 PolarHBondContact O-N 3.43Å; N510-L513 PolarHBondContact O-N 2.89Å; C511-L513 VanDerWaalsContact C-N 3.33Å; C511-L513 PolarHBondContact O-N 2.57Å; L513-Y516 WeakPolarHBondContact O-CB 3.35Å; L513-Y516 PolarHBondContact O-N 3.37Å; L513-Y516 VanDerWaalsContact O-N 3.14Å; L513-E517 WeakPolarHBondContact O-CG 3.26Å; L513-E517 PolarHBondContact O-N 2.89Å; L513-V533 HydrophobicContact CB-CB 4.13Å; L513-V533 HydrophobicContact CB-CG1 4.04Å; L513-V533 HydrophobicContact CB-CG2 3.9Å; L513-V533 HydrophobicContact CD1-CB 4.3Å; L513-V533 HydrophobicContact CD1-CG1 4.05Å
514	L	76.1	Confident	69.6	Low	36 Å²	36	76.7 Å²	76.7	19%	0.188	40%	0.396	C	S	.	.	H	α-helix	trans	-67.2	-36.8	174	-69.4	177	0	0	0	112.8	N510 C511 Y516 S518 N531 V533	N510-L514 WeakPolarHBondContact O-CB 3.39Å; N510-L514 WeakPolarHBondContact O-CG 3.39Å; N510-L514 PolarHBondContact O-N 3.18Å; C511-L514 PolarHBondContact O-N 3.36Å; L514-Y516 VanDerWaalsContact C-N 3.32Å; L514-S518 VanDerWaalsContact O-CB 3.3Å; L514-S518 WeakPolarHBondContact O-CB 3.32Å; L514-S518 PolarHBondContact O-N 2.97Å; L514-S518 PolarHBondContact O-OG 3.43Å; L514-N531 HydrophobicContact CD2-CB 3.62Å; L514-V533 HydrophobicContact CD2-CG2 3.51Å; L514-V533 HydrophobicContact CG-CG2 3.9Å
515	E	73.7	Confident	67	Low	112 Å²	112	77.3 Å²	77.3	52%	0.523	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-41.6	168.2	-75.6	165.3	-163	0	0	111	C511 S518 N519	C511-E515 WeakPolarHBondContact O-CB 3.26Å; C511-E515 VanDerWaalsContact O-CG 3.28Å; C511-E515 WeakPolarHBondContact O-CG 3.38Å; C511-E515 PolarHBondContact O-N 2.84Å; E515-S518 PolarHBondContact O-N 2.76Å; E515-N519 WeakPolarHBondContact O-CB 3.48Å; E515-N519 PolarHBondContact O-N 3.48Å; E515-N519 VanDerWaalsContact O-N 3.07Å; E515-N519 PolarHBondContact O-ND2 3.44Å
516	Y	68.9	Low	64	Low	70 Å²	70	81.3 Å²	81.3	28%	0.275	43%	0.432	S	S	.	.	H	α-helix	trans	-65.9	-46.3	178	-164.8	-93.4	0	0	0	112.1	Q477 Q480 L481 K512 L513 L514 S518 N519 S520	Q477-Y516 HydrophobicContact CG-CD1 4.3Å; Q477-Y516 HydrophobicContact CG-CE1 4.04Å; Q480-Y516 PolarHBondContact OE1-OH 3.46Å; L481-Y516 HydrophobicContact CD2-CD2 3.92Å; L481-Y516 HydrophobicContact CD2-CE2 3.96Å; L481-Y516 HydrophobicContact CD2-CG 4.37Å; K512-Y516 WeakPolarHBondContact O-CB 3.26Å; K512-Y516 PolarHBondContact O-N 2.88Å; L513-Y516 WeakPolarHBondContact O-CB 3.35Å; L513-Y516 PolarHBondContact O-N 3.37Å; L513-Y516 VanDerWaalsContact O-N 3.14Å; L514-Y516 VanDerWaalsContact C-N 3.32Å; Y516-S518 VanDerWaalsContact C-N 3.32Å; Y516-S518 PolarHBondContact O-N 3.12Å; Y516-N519 PolarHBondContact O-N 3.08Å; Y516-S520 WeakPolarHBondContact O-CB 3.39Å; Y516-S520 PolarHBondContact O-N 3.07Å; Y516-S520 PolarHBondContact O-OG 3.33Å
517	E	65	Low	61.2	Low	65 Å²	65	88.6 Å²	88.6	30%	0.304	47%	0.471	S	S	.	.	H	α-helix	trans	-61.3	-40.9	176.1	-71.1	-176.3	154	0	0	111.8	Q477 L513 N519 S520	Q477-E517 PolarHBondContact NE2-OE1 3.08Å; L513-E517 WeakPolarHBondContact O-CG 3.26Å; L513-E517 PolarHBondContact O-N 2.89Å; E517-N519 VanDerWaalsContact C-N 3.32Å; E517-N519 PolarHBondContact O-N 2.82Å; E517-S520 PolarHBondContact O-N 3.07Å; E517-S520 PolarHBondContact O-OG 2.85Å
518	S	61.9	Low	58.5	Low	87 Å²	87	94.9 Å²	94.9	61%	0.608	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-30.8	176.8	-56.7	0	0	0	0	113.7	L514 E515 Y516	L514-S518 VanDerWaalsContact O-CB 3.3Å; L514-S518 WeakPolarHBondContact O-CB 3.32Å; L514-S518 PolarHBondContact O-N 2.97Å; L514-S518 PolarHBondContact O-OG 3.43Å; E515-S518 PolarHBondContact O-N 2.76Å; Y516-S518 VanDerWaalsContact C-N 3.32Å; Y516-S518 PolarHBondContact O-N 3.12Å
519	N	59.6	Low	56.1	Low	135 Å²	135	95.9 Å²	95.9	72%	0.722	51%	0.514	S	S	*	.	H	α-helix	trans	-93.1	-18.3	179.8	-75.3	-71.6	0	0	0	113.2	E515 Y516 E517	E515-N519 WeakPolarHBondContact O-CB 3.48Å; E515-N519 PolarHBondContact O-N 3.48Å; E515-N519 VanDerWaalsContact O-N 3.07Å; E515-N519 PolarHBondContact O-ND2 3.44Å; Y516-N519 PolarHBondContact O-N 3.08Å; E517-N519 VanDerWaalsContact C-N 3.32Å; E517-N519 PolarHBondContact O-N 2.82Å
520	S	53.9	Low	54.2	Low	27 Å²	27	97.4 Å²	97.4	19%	0.189	54%	0.537	C	S	.	.	S	Bend	trans	-86.1	113.3	176.2	73.2	0	0	0	0	110.4	Y516 E517 F522	Y516-S520 WeakPolarHBondContact O-CB 3.39Å; Y516-S520 PolarHBondContact O-N 3.07Å; Y516-S520 PolarHBondContact O-OG 3.33Å; E517-S520 PolarHBondContact O-N 3.07Å; E517-S520 PolarHBondContact O-OG 2.85Å; S520-F522 PolarHBondContact O-N 3.04Å
521	N	41.5	Very low	52.9	Low	156 Å²	156	100.8 Å²	100.8	83%	0.834	56%	0.555	S	S	*	*			trans	-71.1	45.6	176.3	-77.2	-33.1	0	0	0	113.4	N523	N521-N523 PolarHBondContact O-N 3.24Å; N521-N523 VanDerWaalsContact O-N 3.09Å
522	F	44.4	Very low	51.9	Low	106 Å²	106	99.2 Å²	99.2	47%	0.465	54%	0.543	S	S	.	.			trans	-78.9	87.3	170.2	-83.4	-66.9	0	0	0	109.9	K476 S520 T524	K476-F522 HydrophobicContact CD-CZ 4.48Å; S520-F522 PolarHBondContact O-N 3.04Å; F522-T524 PolarHBondContact O-N 3.26Å
523	N	29	Very low	51.8	Low	157 Å²	157	94.9 Å²	94.9	84%	0.84	53%	0.525	S	S	*	.			trans	-66.9	71.6	168.1	-75.9	-25.7	0	0	0	111.3	N521	N521-N523 PolarHBondContact O-N 3.24Å; N521-N523 VanDerWaalsContact O-N 3.09Å
524	T	33.2	Very low	52.1	Low	121 Å²	121	94.6 Å²	94.6	74%	0.742	52%	0.523	S	S	*	.			trans	-100.4	91.9	165	39.3	0	0	0	0	109.6	F522	F522-T524 PolarHBondContact O-N 3.26Å
525	T	31.4	Very low	52.7	Low	126 Å²	126	96.7 Å²	96.7	77%	0.773	53%	0.529	S	S	*	.			trans	-17.3	126.6	170.3	51	0	0	0	0	117.8
526	N	27.3	Very low	53.6	Low	145 Å²	145	91.4 Å²	91.4	78%	0.775	51%	0.505	S	S	*	.			trans	45.4	93	145.8	-63	-2.3	0	0	0	118.3
527	N	29.7	Very low	54.6	Low	154 Å²	154	90 Å²	90	82%	0.824	50%	0.5	S	S	*	.			trans	-151.1	117.8	138.3	-105.3	-38.3	0	0	0	110.4	N529	N527-N529 PolarHBondContact O-N 3.35Å
528	N	30.5	Very low	55.7	Low	164 Å²	164	86.9 Å²	86.9	88%	0.877	49%	0.486	S	S	*	.			trans	-78.9	30.1	-170.6	-76.3	-13.5	0	0	0	114.7	G530	N528-G530 PolarHBondContact O-N 2.94Å
529	N	36.5	Very low	57.2	Low	129 Å²	129	83 Å²	83	69%	0.69	46%	0.458	S	S	*	.	S	Bend	trans	-87.1	84.4	169	-78.1	-21.7	0	0	0	108.6	N527 N531	N527-N529 PolarHBondContact O-N 3.35Å; N529-N531 PolarHBondContact O-N 3.13Å
530	G	47	Very low	58.8	Low	56 Å²	56	76.5 Å²	76.5	58%	0.577	42%	0.424	S	S	*	.			trans	-56.7	118.4	-165.5	0	0	0	0	0	115.1	N528 V532	N528-G530 PolarHBondContact O-N 2.94Å; G530-V532 PolarHBondContact O-N 3.26Å
531	N	57.8	Low	60.7	Low	101 Å²	101	75.2 Å²	75.2	54%	0.54	42%	0.415	S	S	.	.			trans	43.4	57.9	148.6	-72.7	42.4	0	0	0	116.2	L514 N529	L514-N531 HydrophobicContact CD2-CB 3.62Å; N529-N531 PolarHBondContact O-N 3.13Å
532	V	60.5	Low	63.1	Low	38 Å²	38	67.8 Å²	67.8	23%	0.23	38%	0.375	C	S	.	.			trans	-119.6	108.1	164.2	177.8	0	0	0	0	109.5	P436 G530 I534 Y535	P436-V532 HydrophobicContact CB-CB 4.24Å; P436-V532 HydrophobicContact CB-CG1 3.65Å; P436-V532 HydrophobicContact CB-CG2 3.88Å; G530-V532 PolarHBondContact O-N 3.26Å; V532-I534 WeakPolarHBondContact CG1-O 3.36Å; V532-Y535 HydrophobicContact CG1-CE2 4.24Å; V532-Y535 WeakPolarHBondContact O-CE2 3.47Å
533	V	80.3	Confident	65.3	Low	2 Å²	2	63.6 Å²	63.6	1%	0.012	36%	0.356	C	S	.	.			trans	-87.8	-27.8	177.8	-152.8	0	0	0	0	111.5	I471 N472 L513 L514	I471-V533 CarbonylContact C-O 3.57Å; I471-V533 WeakPolarHBondContact CA-O 3.48Å; I471-V533 HydrophobicContact CG2-CG1 3.83Å; N472-V533 PolarHBondContact N-O 2.86Å; N472-V533 WeakPolarHBondContact O-CG1 3.36Å; L513-V533 HydrophobicContact CB-CB 4.13Å; L513-V533 HydrophobicContact CB-CG1 4.04Å; L513-V533 HydrophobicContact CB-CG2 3.9Å; L513-V533 HydrophobicContact CD1-CB 4.3Å; L513-V533 HydrophobicContact CD1-CG1 4.05Å; L514-V533 HydrophobicContact CD2-CG2 3.51Å; L514-V533 HydrophobicContact CG-CG2 3.9Å
534	I	86.4	Confident	68.1	Low	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.2	-176.9	-47.6	-170.5	0	0	0	110.6	Y437 T470 I471 L506 W509 N510 V532	Y437-I534 WeakPolarHBondContact CB-O 3.49Å; Y437-I534 HydrophobicContact CG-CB 4.41Å; Y437-I534 HydrophobicContact CG-CG2 4.4Å; Y437-I534 PolarHBondContact N-O 3.38Å; T470-I534 WeakPolarHBondContact O-CA 3.41Å; I471-I534 HydrophobicContact CG1-CG1 4.21Å; L506-I534 HydrophobicContact CD2-CD1 4.18Å; L506-I534 HydrophobicContact CD2-CG2 4.27Å; W509-I534 HydrophobicContact CB-CD1 3.92Å; N510-I534 HydrophobicContact CB-CD1 3.93Å; N510-I534 HydrophobicContact CB-CG1 4.33Å; V532-I534 WeakPolarHBondContact CG1-O 3.36Å
535	Y	89.3	Confident	70.7	Confident	79 Å²	79	51.4 Å²	51.4	31%	0.31	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	145.9	172.8	-69.2	-97.7	0	0	0	110.5	I435 G469 T470 N472 V532	I435-Y535 WeakPolarHBondContact O-CA 3.36Å; G469-Y535 CarbonylContact C-O 3.56Å; G469-Y535 WeakPolarHBondContact CA-O 3.28Å; T470-Y535 PolarHBondContact N-O 2.89Å; T470-Y535 PolarHBondContact O-N 2.99Å; N472-Y535 HydrophobicContact CB-CD2 4.4Å; N472-Y535 HydrophobicContact CB-CE2 4.2Å; V532-Y535 HydrophobicContact CG1-CE2 4.24Å; V532-Y535 WeakPolarHBondContact O-CE2 3.47Å
536	L	90.9	Very high	73.5	Confident	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.3	170.6	-56.4	-176.7	0	0	0	109.3	S434 I435 Y437 I443 I467 T468 L492 I498	S434-L536 CarbonylContact C-O 3.58Å; S434-L536 WeakPolarHBondContact CA-O 3.1Å; I435-L536 HydrophobicContact CG1-CB 3.94Å; I435-L536 PolarHBondContact N-O 2.86Å; I435-L536 PolarHBondContact O-N 2.87Å; Y437-L536 HydrophobicContact CD2-CD1 4Å; Y437-L536 HydrophobicContact CD2-CD2 4.11Å; Y437-L536 HydrophobicContact CD2-CG 4.12Å; I443-L536 HydrophobicContact CD1-CD1 3.55Å; I467-L536 HydrophobicContact CG2-CB 4.45Å; I467-L536 HydrophobicContact CG2-CD2 4.49Å; T468-L536 CarbonylContact O-C 3.51Å; T468-L536 WeakPolarHBondContact O-CA 3.49Å; L492-L536 HydrophobicContact CD1-CD2 3.36Å; I498-L536 HydrophobicContact CD1-CD1 4.18Å
537	Q	89.9	Confident	76.5	Confident	39 Å²	39	47 Å²	47	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119	166.1	-56.3	-179.9	-70.2	0	0	108.7	I467 T468 H539	I467-Q537 WeakPolarHBondContact CA-O 3.18Å; T468-Q537 PolarHBondContact N-O 3.27Å; T468-Q537 VanDerWaalsContact N-O 3.11Å; T468-Q537 PolarHBondContact O-N 3.08Å; T468-Q537 PolarHBondContact OG1-OE1 3.21Å; T468-Q537 VanDerWaalsContact OG1-OE1 3.13Å; Q537-H539 VanDerWaalsContact CB-NE2 3.31Å; Q537-H539 WeakPolarHBondContact CB-NE2 3.38Å; Q537-H539 PolarHBondContact O-CD2 3.34Å; Q537-H539 VanDerWaalsContact O-CD2 3.28Å
538	H	88.6	Confident	79.4	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104	-178.6	180	-166.2	0	0	0	108.2	E432 Y433 I443 W445 H465 N557	E432-H538 WeakPolarHBondContact CA-O 3.5Å; Y433-H538 PolarHBondContact N-O 2.86Å; Y433-H538 WeakPolarHBondContact O-CB 3.32Å; Y433-H538 PolarHBondContact O-N 3.41Å; I443-H538 HydrophobicContact CG2-CB 4.2Å; I443-H538 VanDerWaalsContact CG2-CD2 3.41Å; I443-H538 WeakPolarHBondContact CG2-CD2 3.24Å; I443-H538 WeakPolarHBondContact CG2-CE1 3.24Å; I443-H538 VanDerWaalsContact CG2-CG 3.48Å; I443-H538 WeakPolarHBondContact CG2-ND1 3.4Å; I443-H538 WeakPolarHBondContact CG2-NE2 3.44Å; W445-H538 AromaticContact CD1-CD2 3.65Å; W445-H538 AromaticContact CD1-CE1 3.81Å; W445-H538 AromaticContact CD1-NE2 3.02Å; W445-H538 AromaticContact CE2-CD2 3.94Å; W445-H538 AromaticContact CE2-NE2 3.76Å; W445-H538 AromaticContact CG-NE2 3.83Å; W445-H538 AromaticContact NE1-CD2 3.1Å; W445-H538 PolarHBondContact NE1-CD2 2.95Å; W445-H538 AromaticContact NE1-CE1 3.68Å; W445-H538 AromaticContact NE1-CG 3.89Å; W445-H538 AromaticContact NE1-NE2 2.95Å; W445-H538 PolarHBondContact NE1-NE2 2.9Å; H465-H538 AromaticContact CD2-CD2 3.75Å; H465-H538 AromaticContact CE1-CD2 3.78Å; H465-H538 AromaticContact CE1-NE2 3.39Å; H465-H538 PolarHBondContact CE1-NE2 2.97Å; H465-H538 AromaticContact NE2-CD2 3.1Å; H465-H538 PolarHBondContact NE2-CD2 3.41Å; H465-H538 AromaticContact NE2-NE2 3.23Å; H465-H538 PolarHBondContact NE2-NE2 3.16Å; H538-N557 PolarHBondContact ND1-OD1 3.36Å
539	H	93.1	Very high	82.4	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.019	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.3	-175.2	-54.4	-92.4	0	0	0	112.1	R430 M431 E432 H465 V466 T468 Q537 I541	R430-H539 WeakPolarHBondContact CD-ND1 3.32Å; R430-H539 HydrophobicContact CG-CB 4.38Å; M431-H539 CarbonylContact O-C 3.52Å; M431-H539 WeakPolarHBondContact O-CA 3.42Å; E432-H539 IonicContact OE2-ND1 2.81Å; H465-H539 WeakPolarHBondContact CA-O 3.35Å; V466-H539 HydrophobicContact CB-CB 4.27Å; V466-H539 PolarHBondContact N-O 3.43Å; V466-H539 WeakPolarHBondContact O-CA 3.18Å; V466-H539 WeakPolarHBondContact O-CB 3.33Å; V466-H539 PolarHBondContact O-CD2 3.48Å; V466-H539 PolarHBondContact O-N 3.27Å; T468-H539 PolarHBondContact OG1-NE2 3.11Å; Q537-H539 VanDerWaalsContact CB-NE2 3.31Å; Q537-H539 WeakPolarHBondContact CB-NE2 3.38Å; Q537-H539 PolarHBondContact O-CD2 3.34Å; Q537-H539 VanDerWaalsContact O-CD2 3.28Å; H539-I541 HydrophobicContact CB-CG1 4.48Å
540	L	94.7	Very high	85.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	111	162.9	177.2	59.1	0	0	0	108.9	R430 M431 W445 V457 F459 I463 E464 Y553	R430-L540 WeakPolarHBondContact CA-O 3.47Å; M431-L540 HydrophobicContact CB-CB 4.43Å; M431-L540 HydrophobicContact CE-CB 4.4Å; M431-L540 HydrophobicContact CE-CD2 3.62Å; M431-L540 HydrophobicContact CE-CG 3.92Å; M431-L540 PolarHBondContact N-O 2.97Å; M431-L540 PolarHBondContact O-N 3.02Å; W445-L540 HydrophobicContact CB-CD2 4.39Å; W445-L540 HydrophobicContact CD2-CB 3.64Å; W445-L540 HydrophobicContact CD2-CD2 3.74Å; W445-L540 HydrophobicContact CD2-CG 4.29Å; W445-L540 HydrophobicContact CE3-CB 4.11Å; W445-L540 HydrophobicContact CE3-CD2 3.7Å; W445-L540 HydrophobicContact CG-CB 4.1Å; W445-L540 HydrophobicContact CG-CD2 4.03Å; W445-L540 HydrophobicContact CH2-CB 4.06Å; W445-L540 HydrophobicContact CZ2-CB 3.58Å; W445-L540 HydrophobicContact CZ3-CB 4.29Å; W445-L540 HydrophobicContact CZ3-CD2 4.25Å; V457-L540 HydrophobicContact CG1-CD1 4.2Å; V457-L540 HydrophobicContact CG1-CD2 4.26Å; V457-L540 HydrophobicContact CG2-CD2 4.2Å; F459-L540 HydrophobicContact CD1-CD1 4.27Å; F459-L540 HydrophobicContact CE1-CD1 3.93Å; I463-L540 HydrophobicContact CG2-CD1 3.47Å; I463-L540 VanDerWaalsContact CG2-CD1 3.47Å; E464-L540 WeakPolarHBondContact O-CA 3.22Å; L540-Y553 HydrophobicContact CD2-CD1 3.63Å; L540-Y553 HydrophobicContact CD2-CE1 3.8Å
541	I	93.3	Very high	87.3	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126.4	179.8	-55.8	168.7	0	0	0	108.2	I429 R430 I463 E464 V466 H539 W543 M640 P641	I429-I541 WeakPolarHBondContact O-CA 3.23Å; R430-I541 HydrophobicContact CB-CG1 4.27Å; R430-I541 HydrophobicContact CG-CG1 3.84Å; I463-I541 CarbonylContact C-O 3.58Å; I463-I541 WeakPolarHBondContact CA-O 3.37Å; E464-I541 PolarHBondContact N-O 3.42Å; E464-I541 PolarHBondContact O-N 3.18Å; V466-I541 HydrophobicContact CB-CD1 4.41Å; V466-I541 HydrophobicContact CG2-CD1 3.9Å; H539-I541 HydrophobicContact CB-CG1 4.48Å; I541-W543 HydrophobicContact CG2-CD2 3.86Å; I541-W543 HydrophobicContact CG2-CG 4.03Å; I541-W543 HydrophobicContact CG2-CZ2 4.17Å; I541-M640 HydrophobicContact CD1-CE 4.44Å; I541-M640 HydrophobicContact CD1-SD 3.69Å; I541-P641 HydrophobicContact CG2-CG 3.97Å
542	I	92.4	Very high	89.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	105	169.6	-56.3	176.8	0	0	0	105.9	P428 I429 M431 I463 D549 L576	P428-I542 CarbonylContact C-O 3.57Å; P428-I542 WeakPolarHBondContact CA-O 3.23Å; I429-I542 HydrophobicContact CG2-CB 3.84Å; I429-I542 HydrophobicContact CG2-CD1 4.28Å; I429-I542 HydrophobicContact CG2-CG1 4.35Å; I429-I542 PolarHBondContact N-O 3.28Å; I429-I542 PolarHBondContact O-N 3.44Å; M431-I542 HydrophobicContact CE-CD1 4.02Å; I463-I542 HydrophobicContact CD1-CG1 4.47Å; I463-I542 HydrophobicContact CG1-CG1 4.13Å; I463-I542 HydrophobicContact CG1-CG2 4.21Å; I463-I542 HydrophobicContact CG2-CG1 4.25Å; I542-D549 HydrophobicContact CD1-CB 4.23Å; I542-L576 HydrophobicContact CD1-CD2 3.73Å
543	W	88.9	Confident	90.7	Very high	17 Å²	17	29 Å²	29	6%	0.064	15%	0.149	C	C	.	.	S	Bend	trans	-75.2	-23.7	-171.7	-76.7	106.5	0	0	0	115	P428 R462 E464 I541 R625 V639 P641	P428-W543 HydrophobicContact CB-CE3 4.24Å; R462-W543 WeakPolarHBondContact O-CB 3.45Å; R462-W543 VanDerWaalsContact O-CD1 3.26Å; R462-W543 PolarHBondContact O-N 3Å; E464-W543 PolarHBondContact OE2-NE1 3.09Å; I541-W543 HydrophobicContact CG2-CD2 3.86Å; I541-W543 HydrophobicContact CG2-CG 4.03Å; I541-W543 HydrophobicContact CG2-CZ2 4.17Å; W543-R625 HydrophobicContact CD2-CB 3.74Å; W543-R625 HydrophobicContact CD2-CG 3.69Å; W543-R625 HydrophobicContact CE3-CB 3.58Å; W543-R625 HydrophobicContact CE3-CG 3.95Å; W543-R625 HydrophobicContact CG-CB 4.21Å; W543-R625 HydrophobicContact CG-CG 4.15Å; W543-R625 HydrophobicContact CH2-CB 4.44Å; W543-R625 HydrophobicContact CH2-CG 4.2Å; W543-R625 HydrophobicContact CZ2-CG 3.96Å; W543-R625 HydrophobicContact CZ3-CB 3.95Å; W543-R625 HydrophobicContact CZ3-CG 4.2Å; W543-V639 VanDerWaalsContact CH2-O 3.27Å; W543-V639 WeakPolarHBondContact CH2-O 3.42Å; W543-P641 HydrophobicContact CH2-CB 4.29Å; W543-P641 HydrophobicContact CH2-CG 4.24Å; W543-P641 HydrophobicContact CZ3-CB 3.91Å; W543-P641 HydrophobicContact CZ3-CG 4.21Å
544	A	87.8	Confident	91.4	Very high	21 Å²	21	29.5 Å²	29.5	17%	0.174	15%	0.151	C	C	.	.	S	Bend	trans	-147.6	89.7	178	0	0	0	0	0	108.9	G426 R462	G426-A544 WeakPolarHBondContact O-CA 3.33Å; R462-A544 PolarHBondContact NH1-O 2.81Å
545	S	89.1	Confident	91.7	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	15%	0.151	C	C	.	.			trans	-68.8	134.5	-172.6	-51.1	0	0	0	0	111.8	E425 G426 F427 D549	E425-S545 CarbonylContact C-O 3.56Å; E425-S545 WeakPolarHBondContact CA-O 3.49Å; G426-S545 PolarHBondContact N-O 2.86Å; F427-S545 WeakPolarHBondContact O-CB 3.46Å; F427-S545 PolarHBondContact O-N 3.29Å; F427-S545 VanDerWaalsContact O-N 3.13Å; F427-S545 PolarHBondContact O-OG 3.21Å; S545-D549 WeakPolarHBondContact CA-OD2 3.44Å
546	K	90.3	Very high	91.6	Very high	105 Å²	105	25.8 Å²	25.8	46%	0.457	14%	0.137	S	C	.	.			trans	-112.1	160.2	172.1	-68.4	176.1	-179.2	-177.6	0	109.8	D548 D549 V578	K546-D548 PolarHBondContact O-N 3.42Å; K546-D549 PolarHBondContact N-OD2 3.18Å; K546-D549 WeakPolarHBondContact O-CB 3.47Å; K546-D549 PolarHBondContact O-N 3.46Å; K546-V578 WeakPolarHBondContact O-CG2 3.42Å
547	L	90.4	Very high	91.4	Very high	75 Å²	75	25.7 Å²	25.7	39%	0.393	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-52.1	-39.3	174.1	-61.4	173	0	0	0	113.1	E425 D549 A550 V578 K580	E425-L547 PolarHBondContact OE1-N 2.87Å; L547-D549 PolarHBondContact O-N 2.87Å; L547-A550 VanDerWaalsContact O-CB 3.29Å; L547-A550 WeakPolarHBondContact O-CB 3.21Å; L547-A550 PolarHBondContact O-N 2.97Å; L547-A550 VanDerWaalsContact O-N 3.1Å; L547-V578 HydrophobicContact CD2-CG1 4.35Å; L547-K580 HydrophobicContact CD1-CB 4.45Å; L547-K580 HydrophobicContact CD1-CD 4.31Å; L547-K580 HydrophobicContact CD1-CG 4.32Å; L547-K580 HydrophobicContact CD2-CB 4.04Å
548	D	90.9	Very high	90.9	Very high	95 Å²	95	27.1 Å²	27.1	51%	0.508	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-59.9	-21.9	174.2	-86.3	3.3	0	0	0	114.7	R268 K447 K546 A550	R268-D548 IonicContact CZ-OD2 2.72Å; R268-D548 IonicContact NH1-OD1 2.76Å; R268-D548 IonicContact NH1-OD2 2.7Å; R268-D548 PolarHBondContact NH1-OD2 3.44Å; R268-D548 IonicContact NH2-OD2 3.42Å; R268-D548 PolarHBondContact NH2-OD2 3.3Å; K447-D548 PolarHBondContact NZ-O 2.66Å; K546-D548 PolarHBondContact O-N 3.42Å; D548-A550 VanDerWaalsContact C-N 3.3Å
549	D	92.1	Very high	90.3	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.053	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-78.3	-15.5	178	-57.7	-40.9	0	0	0	111.8	K447 R462 I542 S545 K546 L547 Y553 V578	K447-D549 PolarHBondContact NZ-O 3.07Å; R462-D549 IonicContact CZ-OD1 3.12Å; R462-D549 IonicContact CZ-OD2 2.74Å; R462-D549 IonicContact NH1-OD1 3.9Å; R462-D549 PolarHBondContact NH1-OD1 2.81Å; R462-D549 IonicContact NH1-OD2 3.78Å; R462-D549 PolarHBondContact NH1-OD2 2.85Å; R462-D549 IonicContact NH2-OD1 2.69Å; R462-D549 PolarHBondContact NH2-OD1 3.26Å; R462-D549 IonicContact NH2-OD2 2.59Å; I542-D549 HydrophobicContact CD1-CB 4.23Å; S545-D549 WeakPolarHBondContact CA-OD2 3.44Å; K546-D549 PolarHBondContact N-OD2 3.18Å; K546-D549 WeakPolarHBondContact O-CB 3.47Å; K546-D549 PolarHBondContact O-N 3.46Å; L547-D549 PolarHBondContact O-N 2.87Å; D549-Y553 WeakPolarHBondContact O-CE2 3.37Å; D549-Y553 PolarHBondContact O-OH 3.19Å; D549-V578 HydrophobicContact CB-CG2 4.46Å
550	A	93.6	Very high	88.8	Confident	35 Å²	35	30.9 Å²	30.9	29%	0.289	17%	0.165	S	C	.	.			trans	-59.8	151.6	174.8	0	0	0	0	0	112.8	K447 L547 D548 L576 V578	K447-A550 WeakPolarHBondContact CE-O 3.43Å; K447-A550 PolarHBondContact NZ-O 3.17Å; L547-A550 VanDerWaalsContact O-CB 3.29Å; L547-A550 WeakPolarHBondContact O-CB 3.21Å; L547-A550 PolarHBondContact O-N 2.97Å; L547-A550 VanDerWaalsContact O-N 3.1Å; D548-A550 VanDerWaalsContact C-N 3.3Å; A550-L576 CarbonylContact C-O 3.6Å; A550-L576 VanDerWaalsContact CA-O 3.26Å; A550-L576 WeakPolarHBondContact CA-O 3.26Å; A550-L576 WeakPolarHBondContact CB-O 3.5Å; A550-V578 HydrophobicContact CB-CB 4.24Å; A550-V578 HydrophobicContact CB-CG2 4.04Å
551	G	93.5	Very high	86.9	Confident	27 Å²	27	33.1 Å²	33.1	28%	0.278	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	137.6	-171	176.9	0	0	0	0	0	114.3	L576	G551-L576 PolarHBondContact N-O 3.19Å; G551-L576 PolarHBondContact O-N 2.9Å
552	R	95	Very high	84.9	Confident	92 Å²	92	39.4 Å²	39.4	35%	0.347	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	127.2	-177.8	-61.7	171.5	66.7	-158.3	1.1	110.5	K447 L448 F554 E573 F574 I575	K447-R552 WeakPolarHBondContact CA-O 3.45Å; L448-R552 HydrophobicContact CB-CB 4.01Å; L448-R552 HydrophobicContact CD2-CB 4.35Å; L448-R552 PolarHBondContact N-O 3.28Å; R552-F554 HydrophobicContact CB-CE2 4.42Å; R552-E573 IonicContact CZ-OE1 2.84Å; R552-E573 IonicContact NE-OE1 3.25Å; R552-E573 PolarHBondContact NE-OE1 3.31Å; R552-E573 VanDerWaalsContact NH2-CD 3.28Å; R552-E573 IonicContact NH2-OE1 2.84Å; R552-E573 PolarHBondContact NH2-OE1 3.39Å; R552-E573 IonicContact NH2-OE2 3.31Å; R552-E573 PolarHBondContact NH2-OE2 3.28Å; R552-E573 VanDerWaalsContact NH2-OE2 3.14Å; R552-F574 CarbonylContact C-O 3.55Å; R552-F574 WeakPolarHBondContact CA-O 3.5Å; R552-I575 HydrophobicContact CG-CG1 4.34Å
553	Y	95.4	Very high	82.8	Confident	4 Å²	4	45 Å²	45	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.4	179.3	-72.9	-99.3	0	0	0	110.3	M431 Y446 K447 V457 L540 D549 E573 F574 L576	M431-Y553 HydrophobicContact CE-CD1 4.33Å; M431-Y553 HydrophobicContact CE-CD2 4.29Å; M431-Y553 HydrophobicContact CE-CE1 4.47Å; M431-Y553 HydrophobicContact CE-CE2 4.47Å; M431-Y553 HydrophobicContact CE-CG 4.22Å; M431-Y553 HydrophobicContact SD-CD2 4.12Å; M431-Y553 HydrophobicContact SD-CG 3.97Å; Y446-Y553 CarbonylContact O-C 3.58Å; Y446-Y553 VanDerWaalsContact O-CA 3.28Å; Y446-Y553 WeakPolarHBondContact O-CA 3.48Å; K447-Y553 HydrophobicContact CB-CD1 4.06Å; K447-Y553 HydrophobicContact CB-CE1 3.95Å; K447-Y553 HydrophobicContact CD-CE1 3.98Å; K447-Y553 HydrophobicContact CD-CE2 4.07Å; K447-Y553 HydrophobicContact CG-CD1 4.32Å; K447-Y553 HydrophobicContact CG-CE1 4.05Å; K447-Y553 HydrophobicContact CG-CE2 4.22Å; K447-Y553 PolarHBondContact NZ-OH 3.06Å; V457-Y553 HydrophobicContact CG1-CE1 4.32Å; V457-Y553 HydrophobicContact CG2-CD1 3.73Å; V457-Y553 HydrophobicContact CG2-CE1 3.77Å; L540-Y553 HydrophobicContact CD2-CD1 3.63Å; L540-Y553 HydrophobicContact CD2-CE1 3.8Å; D549-Y553 WeakPolarHBondContact O-CE2 3.37Å; D549-Y553 PolarHBondContact O-OH 3.19Å; Y553-E573 CarbonylContact O-C 3.36Å; Y553-E573 WeakPolarHBondContact O-CA 3.42Å; Y553-F574 PolarHBondContact N-O 3.16Å; Y553-F574 PolarHBondContact O-N 3.24Å; Y553-L576 HydrophobicContact CD2-CB 4.24Å; Y553-L576 HydrophobicContact CE2-CB 4.14Å; Y553-L576 HydrophobicContact CE2-CD2 4.13Å
554	F	93.7	Very high	80.8	Confident	12 Å²	12	51 Å²	51	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	119.7	176.6	-58.6	-91.8	0	0	0	109.2	W445 Y446 L448 R454 R552 K572 E573	W445-F554 WeakPolarHBondContact CA-O 3.13Å; Y446-F554 PolarHBondContact N-O 3.23Å; Y446-F554 PolarHBondContact O-N 3.22Å; L448-F554 HydrophobicContact CB-CE2 4.32Å; L448-F554 HydrophobicContact CD1-CE2 4.09Å; R454-F554 HydrophobicContact CG-CD2 4.35Å; R454-F554 HydrophobicContact CG-CE2 4.49Å; R552-F554 HydrophobicContact CB-CE2 4.42Å; F554-K572 WeakPolarHBondContact CA-O 3.41Å; F554-E573 HydrophobicContact CD1-CB 3.92Å; F554-E573 HydrophobicContact CD1-CG 4.14Å; F554-E573 HydrophobicContact CE1-CB 3.78Å; F554-E573 HydrophobicContact CE1-CG 3.64Å; F554-E573 HydrophobicContact CZ-CG 4.07Å
555	A	92.7	Very high	78.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	106.5	164.5	0	0	0	0	0	107.5	Y433 W445 E571 K572 F574	Y433-A555 HydrophobicContact CD1-CB 3.65Å; Y433-A555 HydrophobicContact CG-CB 4.28Å; W445-A555 HydrophobicContact CD2-CB 4.21Å; W445-A555 HydrophobicContact CE3-CB 3.98Å; W445-A555 HydrophobicContact CH2-CB 3.59Å; W445-A555 HydrophobicContact CZ2-CB 3.81Å; W445-A555 HydrophobicContact CZ3-CB 3.69Å; A555-E571 VanDerWaalsContact O-CA 3.24Å; A555-E571 WeakPolarHBondContact O-CA 3.45Å; A555-K572 PolarHBondContact N-O 3.31Å; A555-K572 PolarHBondContact O-N 2.91Å; A555-F574 HydrophobicContact CB-CE2 4Å
556	S	88.4	Confident	76.9	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.014	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	132.5	-173.2	-168.3	0	0	0	0	110.5	Q444 T569 E571	Q444-S556 PolarHBondContact N-O 2.75Å; Q444-S556 PolarHBondContact O-N 2.65Å; S556-T569 WeakPolarHBondContact OG-CG2 3.42Å; S556-E571 VanDerWaalsContact CB-OE1 3.24Å; S556-E571 WeakPolarHBondContact CB-OE1 3.35Å; S556-E571 PolarHBondContact OG-OE1 2.9Å
557	N	85.2	Confident	75.2	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	114.2	179.6	-41.2	-76.4	0	0	0	109	Y433 I435 E442 H538 Y559 T569 K570	Y433-N557 VanDerWaalsContact CD1-ND2 3.34Å; Y433-N557 WeakPolarHBondContact CD1-ND2 3.41Å; Y433-N557 WeakPolarHBondContact CE1-ND2 3.42Å; I435-N557 HydrophobicContact CD1-CB 4.24Å; I435-N557 WeakPolarHBondContact CD1-OD1 3.36Å; E442-N557 CarbonylContact O-C 3.56Å; E442-N557 VanDerWaalsContact O-CA 3.27Å; E442-N557 WeakPolarHBondContact O-CA 3.33Å; H538-N557 PolarHBondContact ND1-OD1 3.36Å; N557-Y559 HydrophobicContact CB-CE2 4.1Å; N557-T569 WeakPolarHBondContact O-CA 3.44Å; N557-K570 PolarHBondContact N-O 3.06Å; N557-K570 PolarHBondContact ND2-O 2.98Å; N557-K570 PolarHBondContact O-N 2.87Å
558	Q	80.7	Confident	74.1	Confident	68 Å²	68	61.9 Å²	61.9	32%	0.318	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.6	-176.6	-61.6	-175.9	28.1	0	0	109.8	C441 E442 T569	C441-Q558 WeakPolarHBondContact CA-O 3.4Å; E442-Q558 PolarHBondContact N-O 2.99Å; E442-Q558 PolarHBondContact O-N 3.02Å; Q558-T569 HydrophobicContact CG-CG2 3.93Å
559	Y	76.3	Confident	73.2	Confident	23 Å²	23	60.3 Å²	60.3	9%	0.09	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125.3	174.7	-56.2	-105.3	0	0	0	107.6	N438 C441 N557 S567 S568 K570	N438-Y559 HydrophobicContact CB-CD1 4.19Å; N438-Y559 HydrophobicContact CB-CE1 3.97Å; C441-Y559 HydrophobicContact CB-CD1 4.47Å; C441-Y559 HydrophobicContact CB-CE1 4.31Å; N557-Y559 HydrophobicContact CB-CE2 4.1Å; Y559-S567 WeakPolarHBondContact O-CA 3.49Å; Y559-S568 WeakPolarHBondContact CD2-O 3.21Å; Y559-S568 PolarHBondContact N-O 2.75Å; Y559-S568 PolarHBondContact O-N 3.03Å; Y559-K570 HydrophobicContact CE2-CB 4.2Å; Y559-K570 HydrophobicContact CE2-CD 4.17Å; Y559-K570 HydrophobicContact CE2-CG 4.19Å
560	P	61.4	Low	72.7	Confident	62 Å²	62	65.1 Å²	65.1	40%	0.403	37%	0.365	S	S	.	.			trans	-67.5	144.5	178.9	26.2	-32.4	0	0	0	111.6	Q440 N562	Q440-P560 HydrophobicContact CB-CG 3.61Å; Q440-P560 HydrophobicContact CG-CG 4.34Å; Q440-P560 VanDerWaalsContact O-CD 3.31Å; Q440-P560 WeakPolarHBondContact O-CD 3.13Å; P560-N562 PolarHBondContact O-N 3.23Å
561	S	53.7	Low	72.4	Confident	47 Å²	47	65.7 Å²	65.7	33%	0.329	36%	0.362	S	S	.	.			trans	-79.2	108	-176.6	49	0	0	0	0	111.7	T563 I566	S561-T563 VanDerWaalsContact C-N 3.27Å; S561-T563 PolarHBondContact O-N 3.2Å; S561-I566 WeakPolarHBondContact CB-O 3.49Å
562	N	50.6	Low	72.3	Confident	132 Å²	132	67.1 Å²	67.1	71%	0.706	36%	0.36	S	S	*	.	S	Bend	trans	-75.2	-13.1	175.3	-75	-40.1	0	0	0	113.8	P560	P560-N562 PolarHBondContact O-N 3.23Å
563	T	48.4	Very low	72.2	Confident	118 Å²	118	63.6 Å²	63.6	72%	0.724	35%	0.348	S	S	*	.	S	Bend	trans	-149.2	139.7	167.8	48.5	0	0	0	0	109.9	S561	S561-T563 VanDerWaalsContact C-N 3.27Å; S561-T563 PolarHBondContact O-N 3.2Å
564	N	48.2	Very low	72.2	Confident	142 Å²	142	63.5 Å²	63.5	76%	0.759	35%	0.347	S	S	*	.	S	Bend	trans	61.6	58.7	172.2	-55.9	-6.7	0	0	0	116.7	I566	N564-I566 PolarHBondContact O-N 3.22Å
565	D	45.3	Very low	72.2	Confident	160 Å²	160	65.1 Å²	65.1	86%	0.856	36%	0.356	S	S	*	.	S	Bend	trans	44.4	10.5	151.5	-67.1	-0.2	0	0	0	121.4
566	I	48.4	Very low	72.3	Confident	144 Å²	144	65.3 Å²	65.3	74%	0.738	36%	0.357	S	S	*	.			trans	-119.5	100.3	179.1	-57	175.7	0	0	0	108.4	S561 N564 S568	S561-I566 WeakPolarHBondContact CB-O 3.49Å; N564-I566 PolarHBondContact O-N 3.22Å; I566-S568 PolarHBondContact O-N 3.45Å; I566-S568 VanDerWaalsContact O-N 3.14Å
567	S	56.4	Low	72.6	Confident	59 Å²	59	68.7 Å²	68.7	41%	0.413	37%	0.373	S	S	.	.			trans	-62.6	113.4	173.7	47.6	0	0	0	0	110.2	Y559 T569	Y559-S567 WeakPolarHBondContact O-CA 3.49Å; S567-T569 PolarHBondContact O-N 3.17Å; S567-T569 VanDerWaalsContact O-N 3.09Å; S567-T569 PolarHBondContact O-OG1 3.38Å
568	S	65.8	Low	72.9	Confident	67 Å²	67	69.4 Å²	69.4	47%	0.469	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	112.1	179.1	65.8	0	0	0	0	108.8	Y559 I566	Y559-S568 WeakPolarHBondContact CD2-O 3.21Å; Y559-S568 PolarHBondContact N-O 2.75Å; Y559-S568 PolarHBondContact O-N 3.03Å; I566-S568 PolarHBondContact O-N 3.45Å; I566-S568 VanDerWaalsContact O-N 3.14Å
569	T	71.6	Confident	73.3	Confident	62 Å²	62	67.8 Å²	67.8	38%	0.38	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.6	177.9	-55.9	0	0	0	0	109.1	S556 N557 Q558 S567 E571	S556-T569 WeakPolarHBondContact OG-CG2 3.42Å; N557-T569 WeakPolarHBondContact O-CA 3.44Å; Q558-T569 HydrophobicContact CG-CG2 3.93Å; S567-T569 PolarHBondContact O-N 3.17Å; S567-T569 VanDerWaalsContact O-N 3.09Å; S567-T569 PolarHBondContact O-OG1 3.38Å; T569-E571 HydrophobicContact CG2-CG 3.68Å
570	K	82.6	Confident	73.7	Confident	111 Å²	111	72.7 Å²	72.7	48%	0.483	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.7	175.1	-69	-173.8	177.7	-179.9	0	109.7	N557 Y559	N557-K570 PolarHBondContact N-O 3.06Å; N557-K570 PolarHBondContact ND2-O 2.98Å; N557-K570 PolarHBondContact O-N 2.87Å; Y559-K570 HydrophobicContact CE2-CB 4.2Å; Y559-K570 HydrophobicContact CE2-CD 4.17Å; Y559-K570 HydrophobicContact CE2-CG 4.19Å
571	E	86.4	Confident	74.1	Confident	48 Å²	48	72 Å²	72	22%	0.224	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.8	-172.3	-48.4	-167.3	122.4	0	0	112.7	R454 A555 S556 T569	R454-E571 IonicContact CZ-OE1 2.68Å; R454-E571 IonicContact CZ-OE2 2.73Å; R454-E571 IonicContact NH1-OE1 2.76Å; R454-E571 PolarHBondContact NH1-OE1 3.04Å; R454-E571 IonicContact NH1-OE2 3.66Å; R454-E571 PolarHBondContact NH1-OE2 2.91Å; R454-E571 IonicContact NH2-OE1 3.88Å; R454-E571 IonicContact NH2-OE2 3.88Å; R454-E571 PolarHBondContact NH2-OE2 3.18Å; A555-E571 VanDerWaalsContact O-CA 3.24Å; A555-E571 WeakPolarHBondContact O-CA 3.45Å; S556-E571 VanDerWaalsContact CB-OE1 3.24Å; S556-E571 WeakPolarHBondContact CB-OE1 3.35Å; S556-E571 PolarHBondContact OG-OE1 2.9Å; T569-E571 HydrophobicContact CG2-CG 3.68Å
572	K	91.5	Very high	74.1	Confident	56 Å²	56	76.1 Å²	76.1	24%	0.243	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126	167.1	-171.9	169.1	-179.5	174.5	0	109.6	Y433 F554 A555 F574	Y433-K572 HydrophobicContact CD1-CB 3.67Å; Y433-K572 HydrophobicContact CD2-CB 4.1Å; Y433-K572 HydrophobicContact CD2-CD 4Å; Y433-K572 HydrophobicContact CE1-CB 3.71Å; Y433-K572 HydrophobicContact CE2-CB 4.16Å; Y433-K572 HydrophobicContact CE2-CD 4.4Å; Y433-K572 HydrophobicContact CG-CB 3.87Å; Y433-K572 HydrophobicContact CG-CD 4.28Å; F554-K572 WeakPolarHBondContact CA-O 3.41Å; A555-K572 PolarHBondContact N-O 3.31Å; A555-K572 PolarHBondContact O-N 2.91Å; K572-F574 HydrophobicContact CB-CE2 3.91Å; K572-F574 HydrophobicContact CB-CZ 4.38Å; K572-F574 HydrophobicContact CD-CE1 4.46Å; K572-F574 HydrophobicContact CD-CE2 4.12Å; K572-F574 HydrophobicContact CD-CZ 3.73Å; K572-F574 HydrophobicContact CG-CD2 4.46Å; K572-F574 HydrophobicContact CG-CE2 3.74Å; K572-F574 HydrophobicContact CG-CZ 3.87Å; K572-F574 WeakPolarHBondContact O-CD2 3.26Å
573	E	93.8	Very high	74.1	Confident	19 Å²	19	76.4 Å²	76.4	9%	0.089	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.4	176.7	-179.8	176.8	169.2	0	0	110.3	N417 K418 H419 R552 Y553 F554	N417-E573 WeakPolarHBondContact O-CB 3.4Å; N417-E573 PolarHBondContact O-N 3.44Å; K418-E573 CarbonylContact C-O 3.52Å; K418-E573 WeakPolarHBondContact CA-O 3.35Å; K418-E573 WeakPolarHBondContact CE-OE2 3.33Å; K418-E573 HydrophobicContact CG-CB 4.16Å; K418-E573 HydrophobicContact CG-CG 4.41Å; H419-E573 PolarHBondContact N-O 2.95Å; R552-E573 IonicContact CZ-OE1 2.84Å; R552-E573 IonicContact NE-OE1 3.25Å; R552-E573 PolarHBondContact NE-OE1 3.31Å; R552-E573 VanDerWaalsContact NH2-CD 3.28Å; R552-E573 IonicContact NH2-OE1 2.84Å; R552-E573 PolarHBondContact NH2-OE1 3.39Å; R552-E573 IonicContact NH2-OE2 3.31Å; R552-E573 PolarHBondContact NH2-OE2 3.28Å; R552-E573 VanDerWaalsContact NH2-OE2 3.14Å; Y553-E573 CarbonylContact O-C 3.36Å; Y553-E573 WeakPolarHBondContact O-CA 3.42Å; F554-E573 HydrophobicContact CD1-CB 3.92Å; F554-E573 HydrophobicContact CD1-CG 4.14Å; F554-E573 HydrophobicContact CE1-CB 3.78Å; F554-E573 HydrophobicContact CE1-CG 3.64Å; F554-E573 HydrophobicContact CZ-CG 4.07Å
574	F	94.8	Very high	73.6	Confident	1 Å²	1	75.4 Å²	75.4	0%	0.004	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138.4	173.3	-60.2	-102.4	0	0	0	109.3	H419 L421 M431 E432 W445 R552 Y553 A555 K572	H419-F574 HydrophobicContact CB-CD1 3.9Å; H419-F574 HydrophobicContact CB-CE1 4.19Å; H419-F574 AromaticContact ND1-CD1 3.84Å; H419-F574 AromaticContact ND1-CE1 3.7Å; H419-F574 CarbonylContact O-C 3.51Å; H419-F574 VanDerWaalsContact O-CA 3.22Å; H419-F574 WeakPolarHBondContact O-CA 3.24Å; L421-F574 HydrophobicContact CD1-CD1 4.2Å; M431-F574 HydrophobicContact CB-CD1 3.83Å; M431-F574 HydrophobicContact CB-CD2 4.48Å; M431-F574 HydrophobicContact CB-CE1 3.98Å; M431-F574 HydrophobicContact CB-CG 4.09Å; M431-F574 HydrophobicContact CB-CZ 4.39Å; M431-F574 HydrophobicContact CG-CB 4Å; M431-F574 HydrophobicContact CG-CD1 3.72Å; M431-F574 HydrophobicContact CG-CE1 4.36Å; M431-F574 HydrophobicContact CG-CG 3.9Å; M431-F574 HydrophobicContact SD-CB 3.64Å; M431-F574 HydrophobicContact SD-CD1 4.48Å; M431-F574 HydrophobicContact SD-CG 4.07Å; E432-F574 VanDerWaalsContact O-CZ 3.29Å; E432-F574 WeakPolarHBondContact O-CZ 3.4Å; W445-F574 AromaticContact CH2-CD2 3.85Å; W445-F574 HydrophobicContact CH2-CD2 3.85Å; W445-F574 AromaticContact CH2-CE2 3.56Å; W445-F574 HydrophobicContact CH2-CE2 3.56Å; W445-F574 HydrophobicContact CH2-CZ 4.08Å; W445-F574 AromaticContact CZ3-CD2 3.66Å; W445-F574 HydrophobicContact CZ3-CD2 3.66Å; W445-F574 AromaticContact CZ3-CE2 3.82Å; W445-F574 HydrophobicContact CZ3-CE2 3.82Å; W445-F574 HydrophobicContact CZ3-CG 4.44Å; R552-F574 CarbonylContact C-O 3.55Å; R552-F574 WeakPolarHBondContact CA-O 3.5Å; Y553-F574 PolarHBondContact N-O 3.16Å; Y553-F574 PolarHBondContact O-N 3.24Å; A555-F574 HydrophobicContact CB-CE2 4Å; K572-F574 HydrophobicContact CB-CE2 3.91Å; K572-F574 HydrophobicContact CB-CZ 4.38Å; K572-F574 HydrophobicContact CD-CE1 4.46Å; K572-F574 HydrophobicContact CD-CE2 4.12Å; K572-F574 HydrophobicContact CD-CZ 3.73Å; K572-F574 HydrophobicContact CG-CD2 4.46Å; K572-F574 HydrophobicContact CG-CE2 3.74Å; K572-F574 HydrophobicContact CG-CZ 3.87Å; K572-F574 WeakPolarHBondContact O-CD2 3.26Å
575	I	94.9	Very high	72.9	Confident	47 Å²	47	75.8 Å²	75.8	24%	0.241	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.4	178.3	-52.3	-174.6	0	0	0	107.4	H419 E420 L421 R552	H419-I575 PolarHBondContact O-N 3.43Å; E420-I575 WeakPolarHBondContact CA-O 3.44Å; E420-I575 HydrophobicContact CG-CB 4.19Å; E420-I575 HydrophobicContact CG-CD1 4.35Å; L421-I575 PolarHBondContact N-O 3.44Å; R552-I575 HydrophobicContact CG-CG1 4.34Å
576	L	94.6	Very high	72.7	Confident	4 Å²	4	70.9 Å²	70.9	2%	0.021	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	118.2	-177.5	-179.2	60.6	0	0	0	110.7	L421 V423 I429 M431 I542 A550 G551 Y553 V578	L421-L576 HydrophobicContact CB-CD1 4.18Å; L421-L576 WeakPolarHBondContact O-CA 3.45Å; V423-L576 HydrophobicContact CG1-CD1 3.93Å; I429-L576 HydrophobicContact CG1-CD1 4.09Å; I429-L576 HydrophobicContact CG2-CD1 4.13Å; I429-L576 HydrophobicContact CG2-CD2 4.19Å; M431-L576 HydrophobicContact CE-CD2 4.3Å; I542-L576 HydrophobicContact CD1-CD2 3.73Å; A550-L576 CarbonylContact C-O 3.6Å; A550-L576 VanDerWaalsContact CA-O 3.26Å; A550-L576 WeakPolarHBondContact CA-O 3.26Å; A550-L576 WeakPolarHBondContact CB-O 3.5Å; G551-L576 PolarHBondContact N-O 3.19Å; G551-L576 PolarHBondContact O-N 2.9Å; Y553-L576 HydrophobicContact CD2-CB 4.24Å; Y553-L576 HydrophobicContact CE2-CB 4.14Å; Y553-L576 HydrophobicContact CE2-CD2 4.13Å; L576-V578 HydrophobicContact CD2-CG2 4.32Å; L576-V578 HydrophobicContact CG-CG2 4.16Å
577	Q	93.8	Very high	72.9	Confident	73 Å²	73	65.5 Å²	65.5	34%	0.341	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.9	168	-169.9	-175	49	0	0	109	L421 S422 V423	L421-Q577 PolarHBondContact O-N 3.42Å; S422-Q577 WeakPolarHBondContact CA-O 3.36Å; V423-Q577 PolarHBondContact N-O 2.86Å
578	V	91.2	Very high	72.8	Confident	14 Å²	14	66 Å²	66	9%	0.085	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	122.9	172.1	-173.8	0	0	0	0	108.8	V423 E425 K546 L547 D549 A550 L576	V423-V578 HydrophobicContact CG1-CB 4.43Å; V423-V578 HydrophobicContact CG1-CG1 4.34Å; V423-V578 HydrophobicContact CG1-CG2 3.89Å; V423-V578 CarbonylContact O-C 3.44Å; V423-V578 WeakPolarHBondContact O-CA 3.49Å; E425-V578 HydrophobicContact CB-CG1 4.24Å; K546-V578 WeakPolarHBondContact O-CG2 3.42Å; L547-V578 HydrophobicContact CD2-CG1 4.35Å; D549-V578 HydrophobicContact CB-CG2 4.46Å; A550-V578 HydrophobicContact CB-CB 4.24Å; A550-V578 HydrophobicContact CB-CG2 4.04Å; L576-V578 HydrophobicContact CD2-CG2 4.32Å; L576-V578 HydrophobicContact CG-CG2 4.16Å
579	I	89.6	Confident	73	Confident	34 Å²	34	66.7 Å²	66.7	17%	0.174	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122.3	-173.6	-53.7	143.7	0	0	0	108.1	L401 V423 E425 S581	L401-I579 HydrophobicContact CD1-CD1 4.11Å; L401-I579 HydrophobicContact CD1-CG1 4.09Å; L401-I579 HydrophobicContact CD1-CG2 4.47Å; L401-I579 HydrophobicContact CD2-CD1 3.51Å; L401-I579 HydrophobicContact CD2-CG1 4.38Å; L401-I579 HydrophobicContact CG-CD1 3.79Å; L401-I579 HydrophobicContact CG-CG1 4.24Å; V423-I579 PolarHBondContact O-N 2.95Å; E425-I579 PolarHBondContact N-O 2.67Å; I579-S581 PolarHBondContact O-N 2.69Å
580	K	84.2	Confident	73.3	Confident	126 Å²	126	65.7 Å²	65.7	55%	0.548	37%	0.367	S	S	.	.			trans	-59.7	138.5	175.5	-165.9	175	-177.1	179.1	0	110.5	L547 N582	L547-K580 HydrophobicContact CD1-CB 4.45Å; L547-K580 HydrophobicContact CD1-CD 4.31Å; L547-K580 HydrophobicContact CD1-CG 4.32Å; L547-K580 HydrophobicContact CD2-CB 4.04Å; K580-N582 PolarHBondContact O-N 3.34Å
581	S	70.9	Confident	73.5	Confident	49 Å²	49	63.4 Å²	63.4	34%	0.343	37%	0.365	S	S	.	.			trans	-71.9	68.4	-177.9	179.2	0	0	0	0	112.9	I579 Q583	I579-S581 PolarHBondContact O-N 2.69Å; S581-Q583 PolarHBondContact O-N 3.27Å; S581-Q583 VanDerWaalsContact O-N 3.1Å
582	N	54	Low	73.6	Confident	132 Å²	132	61.5 Å²	61.5	71%	0.706	36%	0.357	S	S	*	.			trans	-82.9	69.7	179.1	-65.3	-8.8	0	0	0	111.1	K580	K580-N582 PolarHBondContact O-N 3.34Å
583	Q	50.9	Low	73.6	Confident	139 Å²	139	64 Å²	64	65%	0.65	37%	0.369	S	S	*	.			trans	-132.9	149	179.6	-70.9	-165.1	-5.3	0	0	114.9	S581	S581-Q583 PolarHBondContact O-N 3.27Å; S581-Q583 VanDerWaalsContact O-N 3.1Å
584	S	37.7	Very low	73.4	Confident	97 Å²	97	63.6 Å²	63.6	68%	0.678	37%	0.368	S	S	*	.			trans	-73.6	167.4	177.3	45.3	0	0	0	0	112.3	G586	S584-G586 PolarHBondContact O-N 3.07Å
585	P	33.7	Very low	73.2	Confident	150 Å²	150	67.6 Å²	67.6	97%	0.974	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	43.9	-169.8	31.5	-38.6	0	0	0	115.4
586	G	40	Very low	73.1	Confident	57 Å²	57	69.3 Å²	69.3	59%	0.588	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-24.2	-178.1	0	0	0	0	0	115.9	S584	S584-G586 PolarHBondContact O-N 3.07Å
587	S	51.7	Low	73	Confident	30 Å²	30	70.1 Å²	70.1	21%	0.21	40%	0.401	C	S	.	.	S	Bend	trans	-107.6	105	178.6	59.6	0	0	0	0	110.6	Q589	S587-Q589 PolarHBondContact O-N 3.12Å
588	P	56.2	Low	73	Confident	70 Å²	70	66.7 Å²	66.7	46%	0.455	39%	0.385	S	S	.	.			trans	-65.7	107.2	178.5	25.3	-33.4	0	0	0	110.4	N621	P588-N621 PolarHBondContact O-ND2 2.96Å
589	Q	68.6	Low	73.1	Confident	82 Å²	82	69.7 Å²	69.7	38%	0.383	40%	0.4	S	S	.	.			trans	-69.2	135	161.6	-73.4	169.2	-10.9	0	0	107.9	S587 N621 Y707	S587-Q589 PolarHBondContact O-N 3.12Å; Q589-N621 CarbonylContact C-O 3.51Å; Q589-N621 WeakPolarHBondContact CA-O 3.34Å; Q589-Y707 HydrophobicContact CB-CD2 4.19Å; Q589-Y707 HydrophobicContact CB-CE2 3.62Å; Q589-Y707 HydrophobicContact CG-CE2 4Å; Q589-Y707 PolarHBondContact NE2-OH 2.67Å; Q589-Y707 PolarHBondContact OE1-OH 3.32Å
590	C	78.8	Confident	73.2	Confident	40 Å²	40	69.4 Å²	69.4	27%	0.27	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	140.6	-174.2	57.5	0	0	0	0	113.1	N621 N705	C590-N621 PolarHBondContact N-O 2.94Å; C590-N621 PolarHBondContact O-N 2.8Å; C590-N621 PolarHBondContact SG-N 3.25Å; C590-N705 PolarHBondContact O-ND2 2.77Å
591	S	85.4	Confident	73.1	Confident	63 Å²	63	66.7 Å²	66.7	44%	0.441	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	150.3	165.1	-39.2	0	0	0	0	110.1	Y707	S591-Y707 WeakPolarHBondContact CB-O 3.22Å; S591-Y707 PolarHBondContact OG-O 3.16Å
592	P	89.6	Confident	72.8	Confident	9 Å²	9	70 Å²	70	6%	0.058	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.5	-173.3	-19	35.9	0	0	0	112.4	V618 T619 P624 A703 N705 G708 T710	P592-V618 HydrophobicContact CB-CG2 4.34Å; P592-T619 VanDerWaalsContact CA-O 3.26Å; P592-T619 WeakPolarHBondContact CA-O 3.42Å; P592-P624 HydrophobicContact CB-CB 3.78Å; P592-P624 HydrophobicContact CB-CG 4.3Å; P592-P624 HydrophobicContact CG-CB 3.72Å; P592-A703 HydrophobicContact CB-CB 4.21Å; P592-N705 WeakPolarHBondContact CD-OD1 3.16Å; P592-N705 HydrophobicContact CG-CB 4.13Å; P592-G708 WeakPolarHBondContact CD-O 3.49Å; P592-T710 HydrophobicContact CB-CG2 4.13Å; P592-T710 WeakPolarHBondContact O-CG2 3.24Å
593	E	90.5	Very high	73.2	Confident	107 Å²	107	66.7 Å²	66.7	50%	0.5	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.3	-174.9	-177.9	170.9	-147.3	0	0	109.4	I595 V618 T619	E593-I595 PolarHBondContact O-N 2.97Å; E593-V618 CarbonylContact O-C 3.47Å; E593-V618 WeakPolarHBondContact O-CA 3.47Å; E593-V618 WeakPolarHBondContact O-CG2 3.49Å; E593-T619 HydrophobicContact CB-CG2 4.12Å; E593-T619 PolarHBondContact N-O 3.39Å; E593-T619 PolarHBondContact O-N 3.05Å
594	F	91.3	Very high	73.1	Confident	11 Å²	11	64.9 Å²	64.9	5%	0.048	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	107.7	173	-74.5	-70.3	0	0	0	108.9	C616 I617 V618 C701 A703 T710 T712 I772	F594-C616 HydrophobicContact CD1-CB 4.11Å; F594-C616 HydrophobicContact CE1-CB 4.2Å; F594-I617 CarbonylContact C-O 3.56Å; F594-I617 WeakPolarHBondContact CA-O 3.32Å; F594-V618 HydrophobicContact CD1-CB 3.79Å; F594-V618 HydrophobicContact CD1-CG2 3.99Å; F594-V618 HydrophobicContact CE1-CB 3.74Å; F594-V618 HydrophobicContact CE1-CG2 3.87Å; F594-V618 HydrophobicContact CZ-CG2 4.36Å; F594-C701 HydrophobicContact CE1-CB 4.32Å; F594-C701 HydrophobicContact CZ-CB 4.1Å; F594-A703 HydrophobicContact CE1-CB 4.46Å; F594-A703 HydrophobicContact CE2-CB 4.27Å; F594-A703 HydrophobicContact CZ-CB 3.78Å; F594-T710 HydrophobicContact CD2-CG2 3.72Å; F594-T710 HydrophobicContact CE2-CG2 3.54Å; F594-T710 HydrophobicContact CZ-CG2 4.41Å; F594-T712 HydrophobicContact CD1-CG2 3.78Å; F594-T712 HydrophobicContact CD2-CG2 3.73Å; F594-T712 HydrophobicContact CE1-CG2 3.66Å; F594-T712 HydrophobicContact CE2-CG2 3.59Å; F594-T712 HydrophobicContact CG-CG2 3.83Å; F594-T712 HydrophobicContact CZ-CG2 3.58Å; F594-I772 HydrophobicContact CB-CD1 4.34Å
595	I	90.4	Very high	73.8	Confident	85 Å²	85	62.3 Å²	62.3	44%	0.436	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-43.5	171.6	-58.8	-178	0	0	0	109.3	E593 I617 T619 L670 T680	E593-I595 PolarHBondContact O-N 2.97Å; I595-I617 HydrophobicContact CB-CB 4.44Å; I595-I617 HydrophobicContact CB-CG2 4.18Å; I595-I617 PolarHBondContact N-O 3.46Å; I595-T619 HydrophobicContact CD1-CG2 3.91Å; I595-T619 HydrophobicContact CG1-CG2 3.93Å; I595-L670 HydrophobicContact CD1-CD1 3.58Å; I595-T680 HydrophobicContact CD1-CG2 3.8Å
596	E	91.3	Very high	74.6	Confident	84 Å²	84	62 Å²	62	39%	0.393	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.5	165.6	-66.5	180	-174.4	0	0	108.9	C616 I617	E596-C616 WeakPolarHBondContact O-CB 3.33Å; E596-I617 HydrophobicContact CB-CB 3.88Å; E596-I617 HydrophobicContact CB-CD1 4.36Å; E596-I617 HydrophobicContact CB-CG1 3.97Å; E596-I617 HydrophobicContact CG-CB 4.2Å; E596-I617 HydrophobicContact CG-CD1 3.92Å; E596-I617 HydrophobicContact CG-CG1 4.1Å; E596-I617 PolarHBondContact N-O 3.4Å; E596-I617 VanDerWaalsContact N-O 3.12Å; E596-I617 PolarHBondContact O-N 3.15Å; E596-I617 WeakPolarHBondContact OE1-CD1 3.49Å; E596-I617 VanDerWaalsContact OE2-CD1 3.31Å; E596-I617 WeakPolarHBondContact OE2-CD1 3.14Å
597	P	93.2	Very high	75.2	Confident	21 Å²	21	66.8 Å²	66.8	14%	0.136	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	175.1	171.5	27.4	-31.8	0	0	0	111.3	I599 T615 C616 T712 P770 I772	P597-I599 HydrophobicContact CG-CD1 4.13Å; P597-I599 HydrophobicContact CG-CG1 4.16Å; P597-I599 PolarHBondContact O-N 3.48Å; P597-I599 VanDerWaalsContact O-N 3.12Å; P597-T615 VanDerWaalsContact O-O 3.04Å; P597-C616 WeakPolarHBondContact O-CA 3.44Å; P597-T712 VanDerWaalsContact CA-OG1 3.32Å; P597-T712 WeakPolarHBondContact CA-OG1 3.45Å; P597-T712 WeakPolarHBondContact CB-OG1 3.41Å; P597-P770 HydrophobicContact CB-CB 3.95Å; P597-P770 HydrophobicContact CB-CG 3.83Å; P597-P770 HydrophobicContact CG-CB 4.04Å; P597-P770 HydrophobicContact CG-CG 3.35Å; P597-I772 HydrophobicContact CB-CD1 4.19Å; P597-I772 HydrophobicContact CB-CG1 4.12Å
598	L	94.4	Very high	75.7	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	107.6	174.8	-169.6	65.8	0	0	0	109.9	M614 T615 C616 T712 T714	L598-M614 HydrophobicContact CD1-CB 3.85Å; L598-M614 HydrophobicContact CG-CB 4.2Å; L598-T615 CarbonylContact C-O 3.57Å; L598-T615 WeakPolarHBondContact CA-O 3.31Å; L598-C616 HydrophobicContact CB-CB 4.32Å; L598-C616 HydrophobicContact CD1-CB 4.2Å; L598-T712 HydrophobicContact CB-CG2 3.84Å; L598-T712 PolarHBondContact N-OG1 2.98Å; L598-T714 HydrophobicContact CD2-CG2 3.94Å; L598-T714 HydrophobicContact CG-CG2 3.95Å; L598-T714 WeakPolarHBondContact O-CB 3.47Å
599	I	92.3	Very high	76.3	Confident	77 Å²	77	69.1 Å²	69.1	40%	0.395	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.6	-176.3	-65.7	160.8	0	0	0	109	P597 M614 T615	P597-I599 HydrophobicContact CG-CD1 4.13Å; P597-I599 HydrophobicContact CG-CG1 4.16Å; P597-I599 PolarHBondContact O-N 3.48Å; P597-I599 VanDerWaalsContact O-N 3.12Å; I599-M614 CarbonylContact O-C 3.59Å; I599-M614 WeakPolarHBondContact O-CA 3.09Å; I599-T615 PolarHBondContact N-O 3.29Å; I599-T615 PolarHBondContact O-N 2.91Å
600	V	91.3	Very high	76.8	Confident	28 Å²	28	67.7 Å²	67.7	17%	0.17	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	125.5	173.2	-169.7	0	0	0	0	108.8	I612 M614 T714 L716	V600-I612 HydrophobicContact CG1-CG2 3.8Å; V600-M614 HydrophobicContact CG2-CG 4.16Å; V600-T714 HydrophobicContact CG2-CG2 3.94Å; V600-L716 HydrophobicContact CB-CD2 4.48Å; V600-L716 HydrophobicContact CG1-CD2 3.99Å; V600-L716 HydrophobicContact CG2-CD2 3.59Å
601	Q	83.5	Confident	77.1	Confident	68 Å²	68	66.7 Å²	66.7	32%	0.318	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-84.1	142.5	-177.4	-60.7	-153.7	-24.8	0	0	111.9	M603 E613 T615	Q601-M603 PolarHBondContact O-N 3.36Å; Q601-E613 HydrophobicContact CB-CB 4.21Å; Q601-E613 HydrophobicContact CG-CB 4.38Å; Q601-E613 PolarHBondContact N-O 3.21Å; Q601-T615 VanDerWaalsContact CD-OG1 3.3Å; Q601-T615 VanDerWaalsContact NE2-CB 3.35Å; Q601-T615 PolarHBondContact NE2-OG1 3Å
602	P	64.5	Low	77.3	Confident	118 Å²	118	63.9 Å²	63.9	77%	0.766	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-58.4	128.6	174.2	-24	34.1	0	0	0	111.9	S604	P602-S604 PolarHBondContact O-N 2.75Å
603	M	60.9	Low	77.4	Confident	63 Å²	63	65.1 Å²	65.1	31%	0.31	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-55.6	123.2	179.2	-66.9	177	69.3	0	0	112	Q601 K724 F725	Q601-M603 PolarHBondContact O-N 3.36Å; M603-K724 HydrophobicContact SD-CB 4.26Å; M603-K724 HydrophobicContact SD-CD 4.02Å; M603-F725 HydrophobicContact CE-CD2 4.29Å; M603-F725 HydrophobicContact CE-CE1 3.98Å; M603-F725 HydrophobicContact CE-CE2 3.44Å; M603-F725 VanDerWaalsContact CE-CE2 3.44Å; M603-F725 HydrophobicContact CE-CZ 3.25Å; M603-F725 HydrophobicContact SD-CD2 4.33Å; M603-F725 HydrophobicContact SD-CE2 3.4Å; M603-F725 WeakPolarHBondContact SD-CE2 3.39Å; M603-F725 HydrophobicContact SD-CZ 3.76Å
604	S	50.6	Low	77.5	Confident	102 Å²	102	60 Å²	60	71%	0.713	35%	0.345	S	S	*	.			trans	-132.3	72.3	178.7	49.2	0	0	0	0	112.5	P602	P602-S604 PolarHBondContact O-N 2.75Å
605	S	52.5	Low	77.7	Confident	43 Å²	43	59.6 Å²	59.6	30%	0.301	34%	0.343	S	S	.	.			trans	-156.6	125.3	163.3	60.7	0	0	0	0	112.3	S608	S605-S608 VanDerWaalsContact CB-OG 3.25Å; S605-S608 WeakPolarHBondContact CB-OG 3.46Å
606	T	50	Low	77.9	Confident	143 Å²	143	55.6 Å²	55.6	88%	0.877	32%	0.322	S	S	*	.	S	Bend	trans	-101.5	-10.7	172.4	44.7	0	0	0	0	113.8
607	N	52.3	Low	78.1	Confident	157 Å²	157	52.2 Å²	52.2	84%	0.84	31%	0.307	S	S	*	.	S	Bend	trans	-131	19.9	-168	-72.9	-15.6	0	0	0	114.4
608	S	62.8	Low	78	Confident	72 Å²	72	51.2 Å²	51.2	50%	0.503	30%	0.3	S	S	.	.	S	Bend	trans	-147.3	162.7	-177.2	63.2	0	0	0	0	113.4	S605	S605-S608 VanDerWaalsContact CB-OG 3.25Å; S605-S608 WeakPolarHBondContact CB-OG 3.46Å
609	D	69.1	Low	77.8	Confident	77 Å²	77	51.7 Å²	51.7	41%	0.412	30%	0.303	S	S	.	.	S	Bend	trans	-39.2	123.4	166.1	-92.6	16.9	0	0	0	110.4	R689	D609-R689 IonicContact OD1-NH2 3.77Å; D609-R689 IonicContact OD2-CZ 2.84Å; D609-R689 IonicContact OD2-NE 2.89Å; D609-R689 PolarHBondContact OD2-NE 2.67Å; D609-R689 IonicContact OD2-NH2 2.76Å; D609-R689 PolarHBondContact OD2-NH2 3.18Å
610	P	77.9	Confident	77.5	Confident	53 Å²	53	48 Å²	48	34%	0.344	28%	0.284	S	S	.	.			trans	-82	145.5	-167.4	35.9	-38.8	0	0	0	110.6	R689 P690 F725	P610-R689 WeakPolarHBondContact O-CA 3.31Å; P610-R689 PolarHBondContact O-N 2.91Å; P610-P690 VanDerWaalsContact O-CD 3.25Å; P610-P690 WeakPolarHBondContact O-CD 3.4Å; P610-F725 HydrophobicContact CB-CD1 4.16Å; P610-F725 HydrophobicContact CB-CE1 3.6Å; P610-F725 HydrophobicContact CB-CZ 4.49Å; P610-F725 HydrophobicContact CG-CD1 4.13Å; P610-F725 HydrophobicContact CG-CE1 3.96Å
611	F	85.1	Confident	77.1	Confident	19 Å²	19	47.2 Å²	47.2	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	162	-172.6	63.2	-89.8	0	0	0	111.6	E613 R686 L687	F611-E613 HydrophobicContact CD2-CG 4.01Å; F611-E613 HydrophobicContact CE2-CG 4.09Å; F611-E613 WeakPolarHBondContact CE2-OE1 3.43Å; F611-R686 HydrophobicContact CB-CG 3.91Å; F611-R686 HydrophobicContact CD2-CG 3.97Å; F611-R686 HydrophobicContact CG-CG 4.14Å; F611-L687 VanDerWaalsContact CA-O 3.23Å; F611-L687 WeakPolarHBondContact CA-O 3.43Å; F611-L687 WeakPolarHBondContact CB-O 3.29Å
612	I	89.1	Confident	77.1	Confident	4 Å²	4	44 Å²	44	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138.4	167.6	-69.8	166.5	0	0	0	107.5	V600 R686 L687 P690 L716 H721 F722 F725	V600-I612 HydrophobicContact CG1-CG2 3.8Å; I612-R686 WeakPolarHBondContact O-CA 3.33Å; I612-L687 HydrophobicContact CB-CB 4.45Å; I612-L687 PolarHBondContact N-O 3.41Å; I612-L687 PolarHBondContact O-N 3.08Å; I612-P690 HydrophobicContact CD1-CB 3.96Å; I612-P690 HydrophobicContact CD1-CG 3.92Å; I612-P690 HydrophobicContact CG1-CB 4.47Å; I612-P690 HydrophobicContact CG1-CG 4.05Å; I612-L716 HydrophobicContact CD1-CD1 4.44Å; I612-L716 HydrophobicContact CG2-CD1 4.34Å; I612-L716 HydrophobicContact CG2-CD2 4.19Å; I612-H721 HydrophobicContact CD1-CB 4.25Å; I612-F722 HydrophobicContact CD1-CE1 4.37Å; I612-F722 HydrophobicContact CD1-CZ 4.28Å; I612-F725 HydrophobicContact CD1-CE2 4.25Å; I612-F725 HydrophobicContact CD1-CZ 4.29Å; I612-F725 HydrophobicContact CG1-CE2 4.29Å; I612-F725 HydrophobicContact CG1-CZ 4Å
613	E	91.6	Very high	78	Confident	35 Å²	35	38.9 Å²	38.9	16%	0.164	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.4	172.2	-88.2	175.3	-153.4	0	0	111.1	Q601 F611 T684 L685 R686	Q601-E613 HydrophobicContact CB-CB 4.21Å; Q601-E613 HydrophobicContact CG-CB 4.38Å; Q601-E613 PolarHBondContact N-O 3.21Å; F611-E613 HydrophobicContact CD2-CG 4.01Å; F611-E613 HydrophobicContact CE2-CG 4.09Å; F611-E613 WeakPolarHBondContact CE2-OE1 3.43Å; E613-T684 HydrophobicContact CB-CG2 4Å; E613-T684 HydrophobicContact CG-CG2 3.78Å; E613-L685 WeakPolarHBondContact CA-O 3.33Å; E613-R686 HydrophobicContact CG-CB 3.77Å; E613-R686 HydrophobicContact CG-CG 4.03Å; E613-R686 IonicContact OE1-CZ 2.71Å; E613-R686 IonicContact OE1-NE 3.75Å; E613-R686 PolarHBondContact OE1-NE 2.72Å; E613-R686 IonicContact OE1-NH2 2.75Å; E613-R686 PolarHBondContact OE1-NH2 3.11Å
614	M	94.4	Very high	79.3	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.1	175.8	-70.4	165.9	-82.8	0	0	108.5	L598 I599 V600 T684 L685 L687 Y699 T714 L716	L598-M614 HydrophobicContact CD1-CB 3.85Å; L598-M614 HydrophobicContact CG-CB 4.2Å; I599-M614 CarbonylContact O-C 3.59Å; I599-M614 WeakPolarHBondContact O-CA 3.09Å; V600-M614 HydrophobicContact CG2-CG 4.16Å; M614-T684 CarbonylContact O-C 3.58Å; M614-T684 WeakPolarHBondContact O-CA 3.42Å; M614-L685 HydrophobicContact CB-CB 4.47Å; M614-L685 HydrophobicContact CE-CD2 3.87Å; M614-L685 HydrophobicContact CE-CG 4.16Å; M614-L685 PolarHBondContact N-O 2.92Å; M614-L685 PolarHBondContact O-N 3.25Å; M614-L687 HydrophobicContact CE-CB 4.38Å; M614-Y699 HydrophobicContact CE-CD1 3.76Å; M614-Y699 HydrophobicContact CE-CD2 4.36Å; M614-Y699 HydrophobicContact CE-CE1 3.91Å; M614-Y699 HydrophobicContact CE-CE2 4.49Å; M614-Y699 HydrophobicContact CE-CG 4Å; M614-Y699 HydrophobicContact SD-CD1 3.89Å; M614-Y699 HydrophobicContact SD-CD2 3.85Å; M614-Y699 HydrophobicContact SD-CE2 4.48Å; M614-Y699 HydrophobicContact SD-CG 3.51Å; M614-Y699 VanDerWaalsContact SD-CG 3.51Å; M614-T714 HydrophobicContact CG-CG2 4.33Å; M614-T714 HydrophobicContact SD-CG2 4.14Å; M614-L716 HydrophobicContact CE-CD1 4.08Å; M614-L716 HydrophobicContact CG-CD2 4.34Å; M614-L716 HydrophobicContact SD-CD1 4.16Å; M614-L716 HydrophobicContact SD-CD2 3.91Å; M614-L716 HydrophobicContact SD-CG 4.17Å
615	T	94.9	Very high	81.2	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.1	-170.2	-68.4	0	0	0	0	110.9	P597 L598 I599 Q601 K682 I683 T684	P597-T615 VanDerWaalsContact O-O 3.04Å; L598-T615 CarbonylContact C-O 3.57Å; L598-T615 WeakPolarHBondContact CA-O 3.31Å; I599-T615 PolarHBondContact N-O 3.29Å; I599-T615 PolarHBondContact O-N 2.91Å; Q601-T615 VanDerWaalsContact CD-OG1 3.3Å; Q601-T615 VanDerWaalsContact NE2-CB 3.35Å; Q601-T615 PolarHBondContact NE2-OG1 3Å; T615-K682 HydrophobicContact CG2-CD 4.26Å; T615-K682 HydrophobicContact CG2-CG 3.84Å; T615-I683 WeakPolarHBondContact CA-O 3.49Å; T615-T684 WeakPolarHBondContact OG1-CG2 3.41Å; T615-T684 PolarHBondContact OG1-OG1 2.88Å
616	C	94.8	Very high	83.1	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.7	163.8	61.2	0	0	0	0	110.9	F594 E596 P597 L598 K682 I683 T712	F594-C616 HydrophobicContact CD1-CB 4.11Å; F594-C616 HydrophobicContact CE1-CB 4.2Å; E596-C616 WeakPolarHBondContact O-CB 3.33Å; P597-C616 WeakPolarHBondContact O-CA 3.44Å; L598-C616 HydrophobicContact CB-CB 4.32Å; L598-C616 HydrophobicContact CD1-CB 4.2Å; C616-K682 WeakPolarHBondContact O-CA 3.46Å; C616-I683 PolarHBondContact N-O 3.03Å; C616-I683 PolarHBondContact O-N 2.77Å; C616-T712 HydrophobicContact CB-CG2 4.38Å
617	I	94.2	Very high	85.2	Confident	13 Å²	13	24.7 Å²	24.7	7%	0.067	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.8	171.1	-57.4	-177.5	0	0	0	108.1	F594 I595 E596 L668 T680 R681 K682	F594-I617 CarbonylContact C-O 3.56Å; F594-I617 WeakPolarHBondContact CA-O 3.32Å; I595-I617 HydrophobicContact CB-CB 4.44Å; I595-I617 HydrophobicContact CB-CG2 4.18Å; I595-I617 PolarHBondContact N-O 3.46Å; E596-I617 HydrophobicContact CB-CB 3.88Å; E596-I617 HydrophobicContact CB-CD1 4.36Å; E596-I617 HydrophobicContact CB-CG1 3.97Å; E596-I617 HydrophobicContact CG-CB 4.2Å; E596-I617 HydrophobicContact CG-CD1 3.92Å; E596-I617 HydrophobicContact CG-CG1 4.1Å; E596-I617 PolarHBondContact N-O 3.4Å; E596-I617 VanDerWaalsContact N-O 3.12Å; E596-I617 PolarHBondContact O-N 3.15Å; E596-I617 WeakPolarHBondContact OE1-CD1 3.49Å; E596-I617 VanDerWaalsContact OE2-CD1 3.31Å; E596-I617 WeakPolarHBondContact OE2-CD1 3.14Å; I617-L668 HydrophobicContact CD1-CD2 3.87Å; I617-T680 HydrophobicContact CG2-CG2 3.5Å; I617-T680 VanDerWaalsContact CG2-CG2 3.5Å; I617-R681 WeakPolarHBondContact CA-O 3.47Å; I617-K682 HydrophobicContact CG1-CB 4.18Å; I617-K682 HydrophobicContact CG1-CG 4.3Å
618	V	92	Very high	87.1	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.7	-179.1	69.1	0	0	0	0	110.3	P592 E593 F594 P624 T680 R681 I683 A703	P592-V618 HydrophobicContact CB-CG2 4.34Å; E593-V618 CarbonylContact O-C 3.47Å; E593-V618 WeakPolarHBondContact O-CA 3.47Å; E593-V618 WeakPolarHBondContact O-CG2 3.49Å; F594-V618 HydrophobicContact CD1-CB 3.79Å; F594-V618 HydrophobicContact CD1-CG2 3.99Å; F594-V618 HydrophobicContact CE1-CB 3.74Å; F594-V618 HydrophobicContact CE1-CG2 3.87Å; F594-V618 HydrophobicContact CZ-CG2 4.36Å; V618-P624 HydrophobicContact CG1-CG 4.06Å; V618-P624 HydrophobicContact CG2-CG 4.05Å; V618-T680 CarbonylContact O-C 3.6Å; V618-T680 WeakPolarHBondContact O-CA 3.41Å; V618-R681 HydrophobicContact CG1-CB 4.41Å; V618-R681 PolarHBondContact N-O 3Å; V618-R681 PolarHBondContact O-N 3.26Å; V618-I683 HydrophobicContact CG1-CD1 3.93Å; V618-A703 HydrophobicContact CG2-CB 3.78Å
619	T	90.4	Very high	88.6	Confident	11 Å²	11	15.6 Å²	15.6	7%	0.067	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.7	172.6	-160.2	0	0	0	0	110.8	P592 E593 I595 C679 T680	P592-T619 VanDerWaalsContact CA-O 3.26Å; P592-T619 WeakPolarHBondContact CA-O 3.42Å; E593-T619 HydrophobicContact CB-CG2 4.12Å; E593-T619 PolarHBondContact N-O 3.39Å; E593-T619 PolarHBondContact O-N 3.05Å; I595-T619 HydrophobicContact CD1-CG2 3.91Å; I595-T619 HydrophobicContact CG1-CG2 3.93Å; T619-C679 WeakPolarHBondContact CA-O 3.32Å; T619-C679 PolarHBondContact OG1-O 3.4Å; T619-T680 WeakPolarHBondContact CB-OG1 3.47Å; T619-T680 PolarHBondContact OG1-OG1 3.28Å
620	G	85.7	Confident	89.6	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.4	158.8	177.6	0	0	0	0	0	112.8	P622 C679	G620-P622 CarbonylContact C-O 3.44Å; G620-C679 PolarHBondContact N-O 3.02Å; G620-C679 PolarHBondContact O-N 3.49Å
621	N	84	Confident	90.1	Very high	11 Å²	11	13 Å²	13	6%	0.059	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	108.4	175.9	-173.8	20.1	0	0	0	110.3	F427 P588 Q589 C590 N677 Y707	F427-N621 WeakPolarHBondContact CZ-OD1 3.21Å; P588-N621 PolarHBondContact O-ND2 2.96Å; Q589-N621 CarbonylContact C-O 3.51Å; Q589-N621 WeakPolarHBondContact CA-O 3.34Å; C590-N621 PolarHBondContact N-O 2.94Å; C590-N621 PolarHBondContact O-N 2.8Å; C590-N621 PolarHBondContact SG-N 3.25Å; N621-N677 PolarHBondContact ND2-O 2.92Å; N621-Y707 WeakPolarHBondContact O-CD2 3.05Å; N621-Y707 WeakPolarHBondContact O-CE2 3.48Å
622	P	82	Confident	89.9	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.073	C	C	.	.	S	Bend	cis	-68.4	169.4	1.6	31.1	-37.4	0	0	0	112.4	G426 F427 G620 N705 Y707	G426-P622 WeakPolarHBondContact O-CG 3.26Å; F427-P622 HydrophobicContact CB-CB 4.37Å; F427-P622 HydrophobicContact CD1-CB 3.63Å; F427-P622 HydrophobicContact CD2-CB 4.02Å; F427-P622 HydrophobicContact CE1-CB 3.78Å; F427-P622 HydrophobicContact CE2-CB 4.16Å; F427-P622 HydrophobicContact CG-CB 3.75Å; F427-P622 HydrophobicContact CZ-CB 4.05Å; G620-P622 CarbonylContact C-O 3.44Å; P622-N705 HydrophobicContact CG-CB 4.28Å; P622-N705 PolarHBondContact O-ND2 3.04Å; P622-Y707 VanDerWaalsContact CD-CE2 3.42Å
623	I	83.6	Confident	89.4	Confident	11 Å²	11	17.1 Å²	17.1	6%	0.056	9%	0.088	C	C	.	.			trans	-39.2	126.1	173.1	-74.6	150.4	0	0	0	111.8	P428 C679 R681	P428-I623 HydrophobicContact CG-CB 3.93Å; P428-I623 HydrophobicContact CG-CD1 4.19Å; P428-I623 HydrophobicContact CG-CG2 4.06Å; I623-C679 HydrophobicContact CG1-CB 3.77Å; I623-R681 VanDerWaalsContact CD1-NH2 3.3Å; I623-R681 VanDerWaalsContact CG2-NH2 3.28Å
624	P	88.6	Confident	89.1	Confident	2 Å²	2	18.5 Å²	18.5	1%	0.013	10%	0.1	C	C	.	.			trans	-72.9	136.7	175.8	27.5	-32.3	0	0	0	112.3	P592 V618 A703 W704	P592-P624 HydrophobicContact CB-CB 3.78Å; P592-P624 HydrophobicContact CB-CG 4.3Å; P592-P624 HydrophobicContact CG-CB 3.72Å; V618-P624 HydrophobicContact CG1-CG 4.06Å; V618-P624 HydrophobicContact CG2-CG 4.05Å; P624-A703 HydrophobicContact CB-CB 4.18Å; P624-W704 CarbonylContact C-O 3.58Å; P624-W704 WeakPolarHBondContact CA-O 3.5Å
625	R	91.2	Very high	88.9	Confident	20 Å²	20	18.8 Å²	18.8	8%	0.075	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	130.1	158.1	177.8	175.7	172.1	177.4	4.5	108.5	F461 E464 W543 A703 W704	F461-R625 PolarHBondContact O-NH1 3.38Å; E464-R625 IonicContact OE1-CZ 3.34Å; E464-R625 IonicContact OE1-NH1 2.98Å; E464-R625 PolarHBondContact OE1-NH1 2.69Å; E464-R625 IonicContact OE1-NH2 2.65Å; E464-R625 PolarHBondContact OE1-NH2 3.31Å; E464-R625 IonicContact OE2-CZ 2.69Å; E464-R625 IonicContact OE2-NE 2.74Å; E464-R625 IonicContact OE2-NH1 2.75Å; E464-R625 PolarHBondContact OE2-NH1 2.94Å; E464-R625 IonicContact OE2-NH2 2.64Å; E464-R625 PolarHBondContact OE2-NH2 3.39Å; W543-R625 HydrophobicContact CD2-CB 3.74Å; W543-R625 HydrophobicContact CD2-CG 3.69Å; W543-R625 HydrophobicContact CE3-CB 3.58Å; W543-R625 HydrophobicContact CE3-CG 3.95Å; W543-R625 HydrophobicContact CG-CB 4.21Å; W543-R625 HydrophobicContact CG-CG 4.15Å; W543-R625 HydrophobicContact CH2-CB 4.44Å; W543-R625 HydrophobicContact CH2-CG 4.2Å; W543-R625 HydrophobicContact CZ2-CG 3.96Å; W543-R625 HydrophobicContact CZ3-CB 3.95Å; W543-R625 HydrophobicContact CZ3-CG 4.2Å; R625-A703 CarbonylContact O-C 3.07Å; R625-A703 VanDerWaalsContact O-CA 3.31Å; R625-A703 WeakPolarHBondContact O-CA 3.23Å; R625-W704 HydrophobicContact CB-CD2 4.37Å; R625-W704 HydrophobicContact CG-CH2 4.27Å; R625-W704 HydrophobicContact CG-CZ2 3.99Å; R625-W704 PolarHBondContact N-O 3.34Å; R625-W704 PolarHBondContact O-N 2.9Å
626	C	92.4	Very high	88.5	Confident	1 Å²	1	22 Å²	22	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.1	-179.5	-61.8	0	0	0	0	111.4	V639 I683 R702	C626-V639 HydrophobicContact CB-CB 4.26Å; C626-V639 HydrophobicContact CB-CG1 4.28Å; C626-V639 HydrophobicContact CB-CG2 4.25Å; C626-I683 HydrophobicContact CB-CD1 3.64Å; C626-I683 VanDerWaalsContact SG-CD1 3.6Å; C626-R702 CarbonylContact C-O 3.52Å; C626-R702 WeakPolarHBondContact CA-O 3.12Å
627	L	92.3	Very high	88.3	Confident	29 Å²	29	22.2 Å²	22.2	15%	0.152	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.2	170.6	-74.4	-168.9	0	0	0	111.5	Y629 R702 W704	L627-Y629 HydrophobicContact CB-CD2 4.37Å; L627-Y629 HydrophobicContact CB-CE2 3.6Å; L627-Y629 HydrophobicContact CD1-CE2 4.46Å; L627-R702 PolarHBondContact N-O 2.89Å; L627-R702 PolarHBondContact O-N 3.37Å; L627-W704 HydrophobicContact CB-CH2 4.29Å; L627-W704 HydrophobicContact CB-CZ3 4.19Å; L627-W704 HydrophobicContact CD1-CH2 3.76Å; L627-W704 HydrophobicContact CD1-CZ3 4.44Å; L627-W704 HydrophobicContact CG-CH2 3.78Å; L627-W704 HydrophobicContact CG-CZ3 4.15Å
628	L	94.2	Very high	88.1	Confident	8 Å²	8	21.9 Å²	21.9	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.3	176.9	-67	164.5	0	0	0	110.3	I635 V637 V663 I683 L685 S700 C701	L628-I635 HydrophobicContact CB-CB 4.42Å; L628-I635 HydrophobicContact CB-CD1 4.24Å; L628-I635 PolarHBondContact O-N 2.72Å; L628-V637 HydrophobicContact CD1-CG2 4.24Å; L628-V663 HydrophobicContact CD1-CB 4.16Å; L628-V663 HydrophobicContact CD1-CG2 3.59Å; L628-I683 HydrophobicContact CD1-CG2 4.43Å; L628-L685 HydrophobicContact CD1-CB 4.08Å; L628-L685 HydrophobicContact CD1-CD1 4.24Å; L628-L685 HydrophobicContact CD1-CD2 4.44Å; L628-L685 HydrophobicContact CD1-CG 4.48Å; L628-S700 WeakPolarHBondContact CA-O 3.12Å; L628-C701 HydrophobicContact CD2-CB 3.86Å
629	Y	93.3	Very high	88	Confident	30 Å²	30	22.1 Å²	22.1	12%	0.118	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.4	-178.3	-62.6	-102.7	0	0	0	111.1	L627 S632 V633 P634 Y699 S700 R702	L627-Y629 HydrophobicContact CB-CD2 4.37Å; L627-Y629 HydrophobicContact CB-CE2 3.6Å; L627-Y629 HydrophobicContact CD1-CE2 4.46Å; Y629-S632 WeakPolarHBondContact CD1-O 3.48Å; Y629-V633 CarbonylContact C-O 3.54Å; Y629-V633 VanDerWaalsContact CA-O 3.24Å; Y629-V633 WeakPolarHBondContact CA-O 3.39Å; Y629-P634 HydrophobicContact CD1-CB 4.36Å; Y629-P634 HydrophobicContact CD1-CG 4.08Å; Y629-P634 HydrophobicContact CE1-CB 4.31Å; Y629-P634 HydrophobicContact CE1-CG 3.78Å; Y629-Y699 CarbonylContact O-C 3.49Å; Y629-Y699 WeakPolarHBondContact O-CA 3.49Å; Y629-S700 PolarHBondContact N-O 2.81Å; Y629-S700 PolarHBondContact O-N 3.48Å; Y629-R702 HydrophobicContact CD2-CG 3.92Å; Y629-R702 HydrophobicContact CE2-CB 4.04Å; Y629-R702 HydrophobicContact CE2-CG 3.67Å
630	R	90.6	Very high	87.9	Confident	59 Å²	59	22.2 Å²	22.2	22%	0.223	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.6	165.7	-176.2	-173.9	171.7	-133.3	-26.6	107.7	S632 V633 I635 Y661 E694 D695 I696 A697 Y699	R630-S632 VanDerWaalsContact C-N 3.29Å; R630-S632 PolarHBondContact O-N 3.18Å; R630-V633 PolarHBondContact N-O 3.18Å; R630-V633 WeakPolarHBondContact O-CB 3.28Å; R630-V633 PolarHBondContact O-N 3.11Å; R630-I635 HydrophobicContact CB-CD1 4.06Å; R630-I635 HydrophobicContact CB-CG1 3.97Å; R630-Y661 WeakPolarHBondContact CD-OH 3.47Å; R630-E694 PolarHBondContact NH1-O 3.12Å; R630-E694 PolarHBondContact NH2-O 3.14Å; R630-D695 PolarHBondContact NE-O 2.87Å; R630-I696 PolarHBondContact NH2-O 2.88Å; R630-A697 HydrophobicContact CG-CB 3.42Å; R630-A697 VanDerWaalsContact CG-CB 3.42Å; R630-Y699 HydrophobicContact CB-CD1 4.15Å; R630-Y699 HydrophobicContact CB-CE1 3.89Å; R630-Y699 WeakPolarHBondContact CD-OH 3.38Å; R630-Y699 HydrophobicContact CG-CD1 4.26Å; R630-Y699 HydrophobicContact CG-CE1 3.74Å; R630-Y699 HydrophobicContact CG-CE2 4.19Å; R630-Y699 PolarHBondContact NE-OH 2.76Å
631	N	87.4	Confident	87.9	Confident	18 Å²	18	22.2 Å²	22.2	10%	0.096	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	48	-176.4	-71.2	-15.3	0	0	0	113.2	V633 A697 T698 S793 S795	N631-V633 PolarHBondContact O-N 2.76Å; N631-A697 WeakPolarHBondContact OD1-CA 3.44Å; N631-A697 VanDerWaalsContact OD1-CB 3.26Å; N631-A697 WeakPolarHBondContact OD1-CB 3.43Å; N631-T698 PolarHBondContact N-O 3.39Å; N631-T698 PolarHBondContact OD1-N 3.45Å; N631-S793 CarbonylContact C-O 3.51Å; N631-S793 CarbonylContact O-C 3.58Å; N631-S795 PolarHBondContact ND2-N 3.42Å; N631-S795 PolarHBondContact ND2-OG 2.87Å; N631-S795 WeakPolarHBondContact OD1-CB 3.48Å
632	S	80.8	Confident	87.5	Confident	50 Å²	50	22.9 Å²	22.9	35%	0.35	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	4	-171.7	-54.3	0	0	0	0	117.2	Y629 R630 S793	Y629-S632 WeakPolarHBondContact CD1-O 3.48Å; R630-S632 VanDerWaalsContact C-N 3.29Å; R630-S632 PolarHBondContact O-N 3.18Å; S632-S793 WeakPolarHBondContact CB-OG 3.03Å; S632-S793 PolarHBondContact OG-OG 2.7Å; S632-S793 VanDerWaalsContact OG-OG 3.09Å
633	V	79.6	Confident	87	Confident	58 Å²	58	25 Å²	25	35%	0.352	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129	168.1	-175.3	0	0	0	0	108	Y629 R630 N631 I635	Y629-V633 CarbonylContact C-O 3.54Å; Y629-V633 VanDerWaalsContact CA-O 3.24Å; Y629-V633 WeakPolarHBondContact CA-O 3.39Å; R630-V633 PolarHBondContact N-O 3.18Å; R630-V633 WeakPolarHBondContact O-CB 3.28Å; R630-V633 PolarHBondContact O-N 3.11Å; N631-V633 PolarHBondContact O-N 2.76Å; V633-I635 PolarHBondContact O-N 2.99Å
634	P	85.6	Confident	86	Confident	64 Å²	64	26.5 Å²	26.5	42%	0.416	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	133.8	175.4	-21.6	31.3	0	0	0	111.1	Y629	Y629-P634 HydrophobicContact CD1-CB 4.36Å; Y629-P634 HydrophobicContact CD1-CG 4.08Å; Y629-P634 HydrophobicContact CE1-CB 4.31Å; Y629-P634 HydrophobicContact CE1-CG 3.78Å
635	I	89.9	Confident	84.3	Confident	7 Å²	7	31.5 Å²	31.5	4%	0.036	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-76.2	136.3	172.5	-60.5	-178.7	0	0	0	107.8	L628 R630 V633 V637 Y661 L685 Y699	L628-I635 HydrophobicContact CB-CB 4.42Å; L628-I635 HydrophobicContact CB-CD1 4.24Å; L628-I635 PolarHBondContact O-N 2.72Å; R630-I635 HydrophobicContact CB-CD1 4.06Å; R630-I635 HydrophobicContact CB-CG1 3.97Å; V633-I635 PolarHBondContact O-N 2.99Å; I635-V637 HydrophobicContact CB-CG2 4.3Å; I635-V637 HydrophobicContact CG2-CG1 4.37Å; I635-V637 HydrophobicContact CG2-CG2 3.9Å; I635-V637 PolarHBondContact O-N 2.78Å; I635-Y661 HydrophobicContact CD1-CD1 4.35Å; I635-Y661 HydrophobicContact CD1-CE1 4.28Å; I635-Y661 HydrophobicContact CG2-CD1 3.67Å; I635-Y661 HydrophobicContact CG2-CD2 3.73Å; I635-Y661 HydrophobicContact CG2-CE1 4.18Å; I635-Y661 HydrophobicContact CG2-CE2 4.25Å; I635-Y661 HydrophobicContact CG2-CG 3.41Å; I635-Y661 VanDerWaalsContact CG2-CG 3.41Å; I635-L685 HydrophobicContact CD1-CD2 3.51Å; I635-Y699 HydrophobicContact CD1-CD1 3.89Å; I635-Y699 HydrophobicContact CD1-CE1 4.05Å
636	P	86.9	Confident	82.4	Confident	68 Å²	68	35.9 Å²	35.9	44%	0.442	19%	0.192	S	C	.	.	S	Bend	trans	-76.6	63.6	-175.3	31.5	-36.5	0	0	0	112.5	S656 Y661	P636-S656 WeakPolarHBondContact O-CA 3.08Å; P636-S656 WeakPolarHBondContact O-CB 3.2Å; P636-Y661 HydrophobicContact CG-CD2 4.44Å
637	V	90.1	Very high	80.2	Confident	6 Å²	6	39 Å²	39	4%	0.036	22%	0.215	C	C	.	.			trans	-141.4	163.8	175	-63.7	0	0	0	0	109.1	L628 I635 V663	L628-V637 HydrophobicContact CD1-CG2 4.24Å; I635-V637 HydrophobicContact CB-CG2 4.3Å; I635-V637 HydrophobicContact CG2-CG1 4.37Å; I635-V637 HydrophobicContact CG2-CG2 3.9Å; I635-V637 PolarHBondContact O-N 2.78Å; V637-V663 HydrophobicContact CB-CB 4.28Å; V637-V663 HydrophobicContact CB-CG1 3.83Å; V637-V663 HydrophobicContact CG2-CB 4.07Å; V637-V663 HydrophobicContact CG2-CG1 4.03Å
638	V	88.9	Confident	78	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.03	25%	0.247	C	C	.	.			trans	-130.1	127.1	176.8	174.5	0	0	0	0	109.3	V466 V491 N494 M640 L654	V466-V638 HydrophobicContact CG1-CG2 4.08Å; V466-V638 HydrophobicContact CG2-CG2 4.42Å; V491-V638 HydrophobicContact CG1-CG2 4.43Å; V491-V638 HydrophobicContact CG2-CB 4.29Å; V491-V638 HydrophobicContact CG2-CG2 4.08Å; N494-V638 WeakPolarHBondContact OD1-CG2 3.33Å; V638-M640 HydrophobicContact CG1-CE 4.23Å; V638-M640 HydrophobicContact CG1-CG 4.44Å; V638-M640 HydrophobicContact CG1-SD 4.08Å; V638-M640 PolarHBondContact O-N 3.37Å; V638-L654 VanDerWaalsContact O-CD1 3.26Å; V638-L654 WeakPolarHBondContact O-CD1 3.38Å
639	V	91.1	Very high	75.7	Confident	6 Å²	6	47.4 Å²	47.4	4%	0.036	26%	0.26	C	S	.	.			trans	-79.3	113.9	163.6	-179.2	0	0	0	0	106.6	W543 C626 V663 T665 I683	W543-V639 VanDerWaalsContact CH2-O 3.27Å; W543-V639 WeakPolarHBondContact CH2-O 3.42Å; C626-V639 HydrophobicContact CB-CB 4.26Å; C626-V639 HydrophobicContact CB-CG1 4.28Å; C626-V639 HydrophobicContact CB-CG2 4.25Å; V639-V663 HydrophobicContact CG2-CG2 3.9Å; V639-T665 HydrophobicContact CG1-CG2 4.15Å; V639-I683 HydrophobicContact CG1-CD1 4.13Å; V639-I683 HydrophobicContact CG1-CG1 4.48Å; V639-I683 HydrophobicContact CG2-CD1 4.44Å; V639-I683 HydrophobicContact CG2-CG2 4.01Å
640	M	88.1	Confident	73.6	Confident	12 Å²	12	49.5 Å²	49.5	6%	0.059	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-78.5	150.6	-179.6	-74.2	-69.8	-175.7	0	0	112	V466 T468 I541 V638 F642 L654 R681	V466-M640 HydrophobicContact CG1-CE 4.07Å; T468-M640 HydrophobicContact CG2-CE 4.12Å; I541-M640 HydrophobicContact CD1-CE 4.44Å; I541-M640 HydrophobicContact CD1-SD 3.69Å; V638-M640 HydrophobicContact CG1-CE 4.23Å; V638-M640 HydrophobicContact CG1-CG 4.44Å; V638-M640 HydrophobicContact CG1-SD 4.08Å; V638-M640 PolarHBondContact O-N 3.37Å; M640-F642 PolarHBondContact O-N 3.21Å; M640-L654 HydrophobicContact CE-CD1 3.92Å; M640-L654 HydrophobicContact CG-CD1 3.49Å; M640-L654 VanDerWaalsContact CG-CD1 3.49Å; M640-R681 PolarHBondContact O-NH1 2.97Å
641	P	85.7	Confident	72.2	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-72	119.8	164.4	29.7	-30.5	0	0	0	109.4	P428 R430 I541 W543 L643	P428-P641 HydrophobicContact CB-CB 4.05Å; P428-P641 HydrophobicContact CG-CB 4.2Å; R430-P641 HydrophobicContact CB-CG 4.46Å; R430-P641 PolarHBondContact NH1-O 3.17Å; R430-P641 VanDerWaalsContact NH1-O 3.14Å; I541-P641 HydrophobicContact CG2-CG 3.97Å; W543-P641 HydrophobicContact CH2-CB 4.29Å; W543-P641 HydrophobicContact CH2-CG 4.24Å; W543-P641 HydrophobicContact CZ3-CB 3.91Å; W543-P641 HydrophobicContact CZ3-CG 4.21Å; P641-L643 HydrophobicContact CB-CD2 4.29Å; P641-L643 HydrophobicContact CG-CD2 4.36Å; P641-L643 PolarHBondContact O-N 2.86Å
642	F	75	Confident	71.7	Confident	26 Å²	26	51.5 Å²	51.5	11%	0.114	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-59.3	127.6	150.4	-50.3	-63.2	0	0	0	107.7	M640 N644 T665 L667 R681	M640-F642 PolarHBondContact O-N 3.21Å; F642-N644 WeakPolarHBondContact CB-O 3.48Å; F642-T665 HydrophobicContact CE2-CG2 4.38Å; F642-T665 HydrophobicContact CZ-CG2 3.92Å; F642-T665 WeakPolarHBondContact CZ-O 3.19Å; F642-L667 HydrophobicContact CE2-CB 4.47Å; F642-R681 HydrophobicContact CE2-CG 4.38Å; F642-R681 VanDerWaalsContact N-NH2 3.19Å; F642-R681 PolarHBondContact O-NH2 3.34Å; F642-R681 VanDerWaalsContact O-NH2 3.11Å
643	L	70.8	Confident	71.8	Confident	44 Å²	44	50.4 Å²	50.4	23%	0.23	29%	0.285	C	S	.	.	S	Bend	trans	-93.1	-38.9	175.9	-61	-176.8	0	0	0	111.3	F406 I429 R430 P641	F406-L643 HydrophobicContact CD2-CD1 4.36Å; F406-L643 HydrophobicContact CE2-CD1 3.55Å; F406-L643 HydrophobicContact CZ-CD1 3.86Å; I429-L643 HydrophobicContact CD1-CD1 4.03Å; I429-L643 HydrophobicContact CD1-CD2 4.33Å; R430-L643 HydrophobicContact CB-CD1 3.97Å; R430-L643 HydrophobicContact CB-CD2 4.35Å; R430-L643 HydrophobicContact CB-CG 4.47Å; P641-L643 HydrophobicContact CB-CD2 4.29Å; P641-L643 HydrophobicContact CG-CD2 4.36Å; P641-L643 PolarHBondContact O-N 2.86Å
644	N	63.7	Low	72.3	Confident	44 Å²	44	48.1 Å²	48.1	24%	0.235	27%	0.271	C	S	.	.	S	Bend	trans	-88.6	148.2	167.9	-63.4	-21.3	0	0	0	109.6	F406 F642	F406-N644 PolarHBondContact N-ND2 2.99Å; F642-N644 WeakPolarHBondContact CB-O 3.48Å
645	I	53	Low	72.5	Confident	107 Å²	107	45 Å²	45	55%	0.549	25%	0.251	S	S	.	.			trans	-114.1	77.1	172	-55	-179	0	0	0	105.9	L667	I645-L667 HydrophobicContact CG2-CD1 4.28Å; I645-L667 HydrophobicContact CG2-CD2 3.6Å
646	Q	50.6	Low	72.5	Confident	111 Å²	111	44.7 Å²	44.7	52%	0.519	25%	0.249	S	C	.	.			trans	-108.5	131.7	165.1	-56.4	-165.6	24	0	0	108.4	N648 D649	Q646-N648 PolarHBondContact O-N 3.05Å; Q646-D649 PolarHBondContact O-N 2.84Å; Q646-D649 VanDerWaalsContact O-N 3.09Å
647	S	47.3	Very low	72.5	Confident	68 Å²	68	42.8 Å²	42.8	48%	0.476	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-2.3	-168.3	48.2	0	0	0	0	115.4	D669	S647-D669 VanDerWaalsContact CB-OD1 3.25Å; S647-D669 WeakPolarHBondContact CB-OD1 3.48Å; S647-D669 VanDerWaalsContact CB-OD2 3.24Å; S647-D669 WeakPolarHBondContact CB-OD2 3.44Å
648	N	45.1	Very low	72.3	Confident	156 Å²	156	47 Å²	47	83%	0.834	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	8.1	174.2	-64.4	-40.1	0	0	0	113.4	Q646	Q646-N648 PolarHBondContact O-N 3.05Å
649	D	45.8	Very low	72.1	Confident	57 Å²	57	48.8 Å²	48.8	31%	0.305	27%	0.269	S	S	.	.			trans	-62.6	140.8	179	-90.9	-33.5	0	0	0	111.6	Q646	Q646-D649 PolarHBondContact O-N 2.84Å; Q646-D649 VanDerWaalsContact O-N 3.09Å
650	P	49.9	Very low	72.1	Confident	74 Å²	74	50.5 Å²	50.5	48%	0.481	28%	0.276	S	S	.	.			trans	-68	147.2	-165.6	25.1	-34.7	0	0	0	114.3	F408 S652	F408-P650 HydrophobicContact CD2-CG 4.15Å; F408-P650 HydrophobicContact CE2-CG 4.04Å; P650-S652 PolarHBondContact O-N 3.35Å
651	L	60.3	Low	72.3	Confident	92 Å²	92	51.1 Å²	51.1	48%	0.482	28%	0.278	S	S	.	.			trans	-49.8	99.7	176.3	-174	77.4	0	0	0	111.8	T653 T664	L651-T653 PolarHBondContact O-N 3.24Å; L651-T653 PolarHBondContact O-OG1 3.31Å; L651-T664 HydrophobicContact CD2-CG2 3.97Å; L651-T664 HydrophobicContact CG-CG2 4.35Å
652	S	77.4	Confident	72.5	Confident	27 Å²	27	51.9 Å²	51.9	19%	0.189	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	104.1	180	149.7	0	0	0	0	109.2	P650 T664 T665	P650-S652 PolarHBondContact O-N 3.35Å; S652-T664 WeakPolarHBondContact O-CA 3.15Å; S652-T665 PolarHBondContact N-O 3.41Å; S652-T665 PolarHBondContact O-N 3.39Å; S652-T665 WeakPolarHBondContact OG-CG2 3.34Å
653	T	83.8	Confident	73.4	Confident	27 Å²	27	50.7 Å²	50.7	17%	0.166	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.4	-171.6	-58.2	0	0	0	0	110.2	H488 L651 I662 V663 T664	H488-T653 HydrophobicContact CB-CG2 4.01Å; L651-T653 PolarHBondContact O-N 3.24Å; L651-T653 PolarHBondContact O-OG1 3.31Å; T653-I662 HydrophobicContact CG2-CG2 3.72Å; T653-V663 WeakPolarHBondContact CA-O 3.28Å; T653-T664 HydrophobicContact CG2-CG2 3.89Å
654	L	89.1	Confident	74.4	Confident	9 Å²	9	50 Å²	50	5%	0.047	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	-179.6	-86.9	161.5	0	0	0	110.8	T468 P489 V491 V638 M640 I662 V663	T468-L654 HydrophobicContact CG2-CD2 3.63Å; P489-L654 HydrophobicContact CB-CD2 3.81Å; P489-L654 WeakPolarHBondContact O-CA 3.27Å; V491-L654 HydrophobicContact CG2-CD2 4.33Å; V638-L654 VanDerWaalsContact O-CD1 3.26Å; V638-L654 WeakPolarHBondContact O-CD1 3.38Å; M640-L654 HydrophobicContact CE-CD1 3.92Å; M640-L654 HydrophobicContact CG-CD1 3.49Å; M640-L654 VanDerWaalsContact CG-CD1 3.49Å; L654-I662 WeakPolarHBondContact O-CA 3.48Å; L654-V663 HydrophobicContact CB-CG1 4.09Å; L654-V663 PolarHBondContact N-O 3.43Å; L654-V663 PolarHBondContact O-N 3.13Å
655	S	89.4	Confident	75.6	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	161.5	178.4	63.1	0	0	0	0	112.4	P489 F490 V491 Y661	P489-S655 PolarHBondContact O-N 3.13Å; P489-S655 PolarHBondContact O-OG 2.69Å; P489-S655 VanDerWaalsContact O-OG 3.13Å; F490-S655 CarbonylContact C-O 3.54Å; F490-S655 WeakPolarHBondContact CA-O 3.37Å; F490-S655 WeakPolarHBondContact CB-OG 3.44Å; V491-S655 PolarHBondContact N-O 3.47Å; S655-Y661 WeakPolarHBondContact CA-O 3.34Å
656	S	89.6	Confident	77.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.7	163.6	51	0	0	0	0	110.5	P636 T658 Q659 K660 Y661	P636-S656 WeakPolarHBondContact O-CA 3.08Å; P636-S656 WeakPolarHBondContact O-CB 3.2Å; S656-T658 PolarHBondContact O-N 3.34Å; S656-T658 PolarHBondContact OG-OG1 3.41Å; S656-Q659 PolarHBondContact O-N 3.5Å; S656-K660 PolarHBondContact OG-N 2.55Å; S656-Y661 PolarHBondContact N-O 2.95Å; S656-Y661 PolarHBondContact OG-N 3.12Å; S656-Y661 VanDerWaalsContact OG-N 3.09Å; S656-Y661 PolarHBondContact OG-O 3.28Å
657	L	87.1	Confident	78.5	Confident	28 Å²	28	40.6 Å²	40.6	15%	0.147	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-14.7	174	-176.2	64	0	0	0	114	F490 L492 T502 K505 W509	F490-L657 HydrophobicContact CD2-CD1 3.65Å; F490-L657 HydrophobicContact CE2-CD1 3.76Å; L492-L657 HydrophobicContact CD2-CD1 3.92Å; L492-L657 HydrophobicContact CD2-CD2 4.24Å; T502-L657 HydrophobicContact CG2-CD2 3.76Å; K505-L657 HydrophobicContact CD-CD2 4.25Å; K505-L657 HydrophobicContact CD-CG 4.27Å; K505-L657 PolarHBondContact NZ-O 3.03Å; W509-L657 HydrophobicContact CH2-CD1 3.68Å; W509-L657 HydrophobicContact CZ3-CD1 3.63Å
658	T	85.9	Confident	79.7	Confident	94 Å²	94	39.9 Å²	39.9	58%	0.577	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.4	174.3	56.2	0	0	0	0	113.7	S656 K660	S656-T658 PolarHBondContact O-N 3.34Å; S656-T658 PolarHBondContact OG-OG1 3.41Å; T658-K660 PolarHBondContact O-N 3.3Å
659	Q	86.3	Confident	80.4	Confident	43 Å²	43	36.5 Å²	36.5	20%	0.201	20%	0.203	C	C	.	.	S	Bend	trans	57.7	-0.6	-169.9	-54.6	-172	81.7	0	0	116	H483 Y485 P486 S656 Y661 N688	H483-Q659 PolarHBondContact O-NE2 3.19Å; Y485-Q659 PolarHBondContact O-NE2 3.5Å; P486-Q659 HydrophobicContact CB-CG 4.43Å; P486-Q659 HydrophobicContact CG-CG 4.28Å; S656-Q659 PolarHBondContact O-N 3.5Å; Q659-Y661 VanDerWaalsContact C-N 3.28Å; Q659-Y661 PolarHBondContact O-N 3.45Å; Q659-N688 PolarHBondContact O-ND2 2.89Å
660	K	89.6	Confident	80.8	Confident	41 Å²	41	38.3 Å²	38.3	18%	0.178	21%	0.212	C	C	.	.	S	Bend	trans	-59.5	-39.6	178.7	-174	80	-178.6	-166.5	0	111.6	S656 T658 L687 N688 R689 E694 D695	S656-K660 PolarHBondContact OG-N 2.55Å; T658-K660 PolarHBondContact O-N 3.3Å; K660-L687 HydrophobicContact CD-CD1 4.46Å; K660-L687 HydrophobicContact CG-CD1 4.13Å; K660-N688 PolarHBondContact O-N 3.14Å; K660-R689 PolarHBondContact NZ-O 3.44Å; K660-E694 IonicContact NZ-OE2 3.33Å; K660-E694 PolarHBondContact NZ-OE2 3.21Å; K660-D695 VanDerWaalsContact CE-CG 3.45Å; K660-D695 WeakPolarHBondContact CE-OD1 3.45Å; K660-D695 WeakPolarHBondContact CE-OD2 3.31Å; K660-D695 IonicContact NZ-OD1 3.23Å; K660-D695 IonicContact NZ-OD2 3.26Å; K660-D695 PolarHBondContact NZ-OD2 3.18Å
661	Y	92.4	Very high	80.4	Confident	26 Å²	26	40.6 Å²	40.6	10%	0.102	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	136.5	176.8	-52.2	-81.3	0	0	0	111.1	R630 I635 P636 S655 S656 Q659 L685 R686 L687 Y699	R630-Y661 WeakPolarHBondContact CD-OH 3.47Å; I635-Y661 HydrophobicContact CD1-CD1 4.35Å; I635-Y661 HydrophobicContact CD1-CE1 4.28Å; I635-Y661 HydrophobicContact CG2-CD1 3.67Å; I635-Y661 HydrophobicContact CG2-CD2 3.73Å; I635-Y661 HydrophobicContact CG2-CE1 4.18Å; I635-Y661 HydrophobicContact CG2-CE2 4.25Å; I635-Y661 HydrophobicContact CG2-CG 3.41Å; I635-Y661 VanDerWaalsContact CG2-CG 3.41Å; P636-Y661 HydrophobicContact CG-CD2 4.44Å; S655-Y661 WeakPolarHBondContact CA-O 3.34Å; S656-Y661 PolarHBondContact N-O 2.95Å; S656-Y661 PolarHBondContact OG-N 3.12Å; S656-Y661 VanDerWaalsContact OG-N 3.09Å; S656-Y661 PolarHBondContact OG-O 3.28Å; Q659-Y661 VanDerWaalsContact C-N 3.28Å; Q659-Y661 PolarHBondContact O-N 3.45Å; Y661-L685 HydrophobicContact CD1-CD1 4.18Å; Y661-R686 WeakPolarHBondContact CA-O 3.29Å; Y661-L687 HydrophobicContact CD1-CD1 3.9Å; Y661-L687 HydrophobicContact CE1-CD1 3.6Å; Y661-Y699 HydrophobicContact CE1-CE1 4.22Å
662	I	91.4	Very high	79.6	Confident	15 Å²	15	46.2 Å²	46.2	8%	0.077	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.2	166.2	-55.5	174.5	0	0	0	107.6	T653 L654 T664 R686 N688	T653-I662 HydrophobicContact CG2-CG2 3.72Å; L654-I662 WeakPolarHBondContact O-CA 3.48Å; I662-T664 HydrophobicContact CG2-CG2 4.31Å; I662-R686 HydrophobicContact CB-CB 4.37Å; I662-R686 PolarHBondContact N-O 3.02Å; I662-R686 PolarHBondContact O-N 3.25Å; I662-N688 WeakPolarHBondContact CD1-ND2 3.32Å
663	V	93.2	Very high	77.5	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.2	166.9	70.4	0	0	0	0	109.7	L628 V637 V639 T653 L654 I683 T684	L628-V663 HydrophobicContact CD1-CB 4.16Å; L628-V663 HydrophobicContact CD1-CG2 3.59Å; V637-V663 HydrophobicContact CB-CB 4.28Å; V637-V663 HydrophobicContact CB-CG1 3.83Å; V637-V663 HydrophobicContact CG2-CB 4.07Å; V637-V663 HydrophobicContact CG2-CG1 4.03Å; V639-V663 HydrophobicContact CG2-CG2 3.9Å; T653-V663 WeakPolarHBondContact CA-O 3.28Å; L654-V663 HydrophobicContact CB-CG1 4.09Å; L654-V663 PolarHBondContact N-O 3.43Å; L654-V663 PolarHBondContact O-N 3.13Å; V663-I683 HydrophobicContact CG2-CG2 3.87Å; V663-T684 WeakPolarHBondContact CA-O 3.41Å
664	T	90.9	Very high	75.3	Confident	29 Å²	29	56.1 Å²	56.1	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.6	168.9	61.9	0	0	0	0	108.6	L651 S652 T653 I662 T684	L651-T664 HydrophobicContact CD2-CG2 3.97Å; L651-T664 HydrophobicContact CG-CG2 4.35Å; S652-T664 WeakPolarHBondContact O-CA 3.15Å; T653-T664 HydrophobicContact CG2-CG2 3.89Å; I662-T664 HydrophobicContact CG2-CG2 4.31Å; T664-T684 PolarHBondContact N-O 3.39Å; T664-T684 PolarHBondContact O-N 3.24Å; T664-T684 WeakPolarHBondContact OG1-CB 3.35Å; T664-T684 PolarHBondContact OG1-O 3.36Å
665	T	90	Very high	73.1	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.8	173.1	-177.2	0	0	0	0	110.2	V639 F642 S652 K682	V639-T665 HydrophobicContact CG1-CG2 4.15Å; F642-T665 HydrophobicContact CE2-CG2 4.38Å; F642-T665 HydrophobicContact CZ-CG2 3.92Å; F642-T665 WeakPolarHBondContact CZ-O 3.19Å; S652-T665 PolarHBondContact N-O 3.41Å; S652-T665 PolarHBondContact O-N 3.39Å; S652-T665 WeakPolarHBondContact OG-CG2 3.34Å; T665-K682 VanDerWaalsContact CA-O 3.25Å; T665-K682 WeakPolarHBondContact CA-O 3.26Å; T665-K682 PolarHBondContact OG1-O 3.42Å
666	S	85.4	Confident	71.2	Confident	30 Å²	30	69.2 Å²	69.2	21%	0.21	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.6	177.1	61.5	0	0	0	0	110.2	R681 K682	S666-R681 WeakPolarHBondContact O-CA 3.5Å; S666-K682 PolarHBondContact N-O 2.96Å; S666-K682 VanDerWaalsContact N-O 3.08Å; S666-K682 PolarHBondContact O-N 3.06Å
667	L	79.5	Confident	69.6	Low	34 Å²	34	73.1 Å²	73.1	18%	0.178	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	148	166.8	-166.5	76	0	0	0	109.9	F642 I645 C679 T680	F642-L667 HydrophobicContact CE2-CB 4.47Å; I645-L667 HydrophobicContact CG2-CD1 4.28Å; I645-L667 HydrophobicContact CG2-CD2 3.6Å; L667-C679 VanDerWaalsContact CD1-SG 3.51Å; L667-T680 WeakPolarHBondContact CD1-O 3.4Å
668	L	71.9	Confident	68.6	Low	53 Å²	53	73.5 Å²	73.5	28%	0.277	39%	0.388	S	S	.	.			trans	-121.7	118.4	168.1	-93.3	76.2	0	0	0	111	I617 L670 T680 K682	I617-L668 HydrophobicContact CD1-CD2 3.87Å; L668-L670 PolarHBondContact O-N 3.02Å; L668-T680 HydrophobicContact CB-CG2 4.2Å; L668-T680 PolarHBondContact N-O 3.33Å; L668-K682 HydrophobicContact CD1-CB 3.41Å; L668-K682 VanDerWaalsContact CD1-CB 3.41Å; L668-K682 HydrophobicContact CD1-CD 4.49Å
669	D	59.5	Low	68	Low	85 Å²	85	69.5 Å²	69.5	46%	0.455	36%	0.364	S	S	.	.			trans	-74.7	87.8	167.4	-90.5	27.9	0	0	0	110.5	S647 N671	S647-D669 VanDerWaalsContact CB-OD1 3.25Å; S647-D669 WeakPolarHBondContact CB-OD1 3.48Å; S647-D669 VanDerWaalsContact CB-OD2 3.24Å; S647-D669 WeakPolarHBondContact CB-OD2 3.44Å; D669-N671 HydrophobicContact CB-CB 4.5Å; D669-N671 VanDerWaalsContact CG-ND2 3.29Å; D669-N671 PolarHBondContact O-N 3.29Å; D669-N671 PolarHBondContact OD2-ND2 3.48Å
670	L	53.9	Low	67.9	Low	94 Å²	94	67.8 Å²	67.8	49%	0.492	36%	0.356	S	S	.	.			trans	-74.6	43.5	167.4	-71.2	178.8	0	0	0	112.1	I595 L668 K672 T680	I595-L670 HydrophobicContact CD1-CD1 3.58Å; L668-L670 PolarHBondContact O-N 3.02Å; L670-K672 PolarHBondContact O-N 2.88Å; L670-T680 HydrophobicContact CD1-CG2 3.83Å; L670-T680 HydrophobicContact CG-CG2 4.42Å
671	N	41.1	Very low	67.8	Low	123 Å²	123	66 Å²	66	66%	0.658	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	59.3	-174.5	-81.2	-36.8	0	0	0	112.7	D669	D669-N671 HydrophobicContact CB-CB 4.5Å; D669-N671 VanDerWaalsContact CG-ND2 3.29Å; D669-N671 PolarHBondContact O-N 3.29Å; D669-N671 PolarHBondContact OD2-ND2 3.48Å
672	K	43.6	Very low	67.8	Low	209 Å²	209	68.2 Å²	68.2	91%	0.909	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.9	1.6	165.6	-79.9	-163.4	175.3	-179	0	115.6	L670	L670-K672 PolarHBondContact O-N 2.88Å
673	S	34.7	Very low	67.9	Low	89 Å²	89	67.5 Å²	67.5	62%	0.622	36%	0.355	S	S	*	.	S	Bend	trans	-153.1	87.7	-179	49.4	0	0	0	0	116.1	R675	S673-R675 VanDerWaalsContact C-N 3.26Å; S673-R675 PolarHBondContact O-N 3.22Å
674	N	36.7	Very low	67.9	Low	173 Å²	173	67.8 Å²	67.8	93%	0.925	36%	0.356	S	S	*	.	S	Bend	trans	39.8	13.1	149.2	-66.1	4.8	0	0	0	122.3
675	R	43.4	Very low	68.1	Low	183 Å²	183	66.5 Å²	66.5	69%	0.691	35%	0.348	S	S	*	.			trans	-111.6	63.8	170.5	-74.5	-173.1	172.5	-174.2	-0.8	110.5	S673 N677 S678	S673-R675 VanDerWaalsContact C-N 3.26Å; S673-R675 PolarHBondContact O-N 3.22Å; R675-N677 PolarHBondContact O-N 3.38Å; R675-S678 PolarHBondContact O-OG 3.45Å
676	S	48.3	Very low	68.2	Low	101 Å²	101	70.3 Å²	70.3	71%	0.706	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	20	-162.5	50.3	0	0	0	0	118
677	N	57.8	Low	68.5	Low	82 Å²	82	68.9 Å²	68.9	44%	0.439	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.3	2.8	-178.7	-82.5	-68.2	0	0	0	115.8	N621 R675	N621-N677 PolarHBondContact ND2-O 2.92Å; R675-N677 PolarHBondContact O-N 3.38Å
678	S	64.5	Low	68.9	Low	37 Å²	37	68.9 Å²	68.9	26%	0.259	35%	0.353	S	S	.	.			trans	-90.2	123.1	-179.9	53.5	0	0	0	0	112.8	R675 T680	R675-S678 PolarHBondContact O-OG 3.45Å; S678-T680 PolarHBondContact O-N 3.24Å
679	C	73.9	Confident	69.4	Low	10 Å²	10	73.3 Å²	73.3	7%	0.068	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	110.2	178.9	-177.1	0	0	0	0	110.6	T619 G620 I623 L667	T619-C679 WeakPolarHBondContact CA-O 3.32Å; T619-C679 PolarHBondContact OG1-O 3.4Å; G620-C679 PolarHBondContact N-O 3.02Å; G620-C679 PolarHBondContact O-N 3.49Å; I623-C679 HydrophobicContact CG1-CB 3.77Å; L667-C679 VanDerWaalsContact CD1-SG 3.51Å
680	T	85.3	Confident	70.7	Confident	6 Å²	6	69.7 Å²	69.7	4%	0.037	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	133.8	176.8	-55.1	0	0	0	0	110.9	I595 I617 V618 T619 L667 L668 L670 S678	I595-T680 HydrophobicContact CD1-CG2 3.8Å; I617-T680 HydrophobicContact CG2-CG2 3.5Å; I617-T680 VanDerWaalsContact CG2-CG2 3.5Å; V618-T680 CarbonylContact O-C 3.6Å; V618-T680 WeakPolarHBondContact O-CA 3.41Å; T619-T680 WeakPolarHBondContact CB-OG1 3.47Å; T619-T680 PolarHBondContact OG1-OG1 3.28Å; L667-T680 WeakPolarHBondContact CD1-O 3.4Å; L668-T680 HydrophobicContact CB-CG2 4.2Å; L668-T680 PolarHBondContact N-O 3.33Å; L670-T680 HydrophobicContact CD1-CG2 3.83Å; L670-T680 HydrophobicContact CG-CG2 4.42Å; S678-T680 PolarHBondContact O-N 3.24Å
681	R	86.9	Confident	72	Confident	3 Å²	3	66.8 Å²	66.8	1%	0.011	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.6	-177.5	-61.6	-179.2	177.5	-154	-4.3	111	I617 V618 I623 M640 F642 S666	I617-R681 WeakPolarHBondContact CA-O 3.47Å; V618-R681 HydrophobicContact CG1-CB 4.41Å; V618-R681 PolarHBondContact N-O 3Å; V618-R681 PolarHBondContact O-N 3.26Å; I623-R681 VanDerWaalsContact CD1-NH2 3.3Å; I623-R681 VanDerWaalsContact CG2-NH2 3.28Å; M640-R681 PolarHBondContact O-NH1 2.97Å; F642-R681 HydrophobicContact CE2-CG 4.38Å; F642-R681 VanDerWaalsContact N-NH2 3.19Å; F642-R681 PolarHBondContact O-NH2 3.34Å; F642-R681 VanDerWaalsContact O-NH2 3.11Å; S666-R681 WeakPolarHBondContact O-CA 3.5Å
682	K	91.6	Very high	73.7	Confident	73 Å²	73	62 Å²	62	32%	0.317	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.9	162.9	179.1	-177.8	-179.1	-174.8	0	108.3	T615 C616 I617 T665 S666 L668	T615-K682 HydrophobicContact CG2-CD 4.26Å; T615-K682 HydrophobicContact CG2-CG 3.84Å; C616-K682 WeakPolarHBondContact O-CA 3.46Å; I617-K682 HydrophobicContact CG1-CB 4.18Å; I617-K682 HydrophobicContact CG1-CG 4.3Å; T665-K682 VanDerWaalsContact CA-O 3.25Å; T665-K682 WeakPolarHBondContact CA-O 3.26Å; T665-K682 PolarHBondContact OG1-O 3.42Å; S666-K682 PolarHBondContact N-O 2.96Å; S666-K682 VanDerWaalsContact N-O 3.08Å; S666-K682 PolarHBondContact O-N 3.06Å; L668-K682 HydrophobicContact CD1-CB 3.41Å; L668-K682 VanDerWaalsContact CD1-CB 3.41Å; L668-K682 HydrophobicContact CD1-CD 4.49Å
683	I	93.5	Very high	75.2	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.8	175.5	-57.5	172.9	0	0	0	106.7	T615 C616 V618 C626 L628 V639 V663	T615-I683 WeakPolarHBondContact CA-O 3.49Å; C616-I683 PolarHBondContact N-O 3.03Å; C616-I683 PolarHBondContact O-N 2.77Å; V618-I683 HydrophobicContact CG1-CD1 3.93Å; C626-I683 HydrophobicContact CB-CD1 3.64Å; C626-I683 VanDerWaalsContact SG-CD1 3.6Å; L628-I683 HydrophobicContact CD1-CG2 4.43Å; V639-I683 HydrophobicContact CG1-CD1 4.13Å; V639-I683 HydrophobicContact CG1-CG1 4.48Å; V639-I683 HydrophobicContact CG2-CD1 4.44Å; V639-I683 HydrophobicContact CG2-CG2 4.01Å; V663-I683 HydrophobicContact CG2-CG2 3.87Å
684	T	94.2	Very high	77.4	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124.4	179.1	-63.1	0	0	0	0	109.4	E613 M614 T615 V663 T664	E613-T684 HydrophobicContact CB-CG2 4Å; E613-T684 HydrophobicContact CG-CG2 3.78Å; M614-T684 CarbonylContact O-C 3.58Å; M614-T684 WeakPolarHBondContact O-CA 3.42Å; T615-T684 WeakPolarHBondContact OG1-CG2 3.41Å; T615-T684 PolarHBondContact OG1-OG1 2.88Å; V663-T684 WeakPolarHBondContact CA-O 3.41Å; T664-T684 PolarHBondContact N-O 3.39Å; T664-T684 PolarHBondContact O-N 3.24Å; T664-T684 WeakPolarHBondContact OG1-CB 3.35Å; T664-T684 PolarHBondContact OG1-O 3.36Å
685	L	95	Very high	79.9	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109.5	171.8	173.4	62	0	0	0	108.5	E613 M614 L628 I635 Y661 Y699	E613-L685 WeakPolarHBondContact CA-O 3.33Å; M614-L685 HydrophobicContact CB-CB 4.47Å; M614-L685 HydrophobicContact CE-CD2 3.87Å; M614-L685 HydrophobicContact CE-CG 4.16Å; M614-L685 PolarHBondContact N-O 2.92Å; M614-L685 PolarHBondContact O-N 3.25Å; L628-L685 HydrophobicContact CD1-CB 4.08Å; L628-L685 HydrophobicContact CD1-CD1 4.24Å; L628-L685 HydrophobicContact CD1-CD2 4.44Å; L628-L685 HydrophobicContact CD1-CG 4.48Å; I635-L685 HydrophobicContact CD1-CD2 3.51Å; Y661-L685 HydrophobicContact CD1-CD1 4.18Å; L685-Y699 HydrophobicContact CD2-CD1 3.92Å; L685-Y699 HydrophobicContact CD2-CE1 4.38Å
686	R	92.6	Very high	81.9	Confident	83 Å²	83	39.9 Å²	39.9	31%	0.313	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.9	167.3	-177.8	-179	-73.5	-155.3	-6.5	109.9	F611 I612 E613 Y661 I662 N688	F611-R686 HydrophobicContact CB-CG 3.91Å; F611-R686 HydrophobicContact CD2-CG 3.97Å; F611-R686 HydrophobicContact CG-CG 4.14Å; I612-R686 WeakPolarHBondContact O-CA 3.33Å; E613-R686 HydrophobicContact CG-CB 3.77Å; E613-R686 HydrophobicContact CG-CG 4.03Å; E613-R686 IonicContact OE1-CZ 2.71Å; E613-R686 IonicContact OE1-NE 3.75Å; E613-R686 PolarHBondContact OE1-NE 2.72Å; E613-R686 IonicContact OE1-NH2 2.75Å; E613-R686 PolarHBondContact OE1-NH2 3.11Å; Y661-R686 WeakPolarHBondContact CA-O 3.29Å; I662-R686 HydrophobicContact CB-CB 4.37Å; I662-R686 PolarHBondContact N-O 3.02Å; I662-R686 PolarHBondContact O-N 3.25Å; R686-N688 WeakPolarHBondContact CD-OD1 3.36Å; R686-N688 WeakPolarHBondContact CG-OD1 3.45Å
687	L	91.3	Very high	83.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.5	169.3	178	67.3	0	0	0	108.5	F611 I612 M614 K660 Y661 P690 D695 L716	F611-L687 VanDerWaalsContact CA-O 3.23Å; F611-L687 WeakPolarHBondContact CA-O 3.43Å; F611-L687 WeakPolarHBondContact CB-O 3.29Å; I612-L687 HydrophobicContact CB-CB 4.45Å; I612-L687 PolarHBondContact N-O 3.41Å; I612-L687 PolarHBondContact O-N 3.08Å; M614-L687 HydrophobicContact CE-CB 4.38Å; K660-L687 HydrophobicContact CD-CD1 4.46Å; K660-L687 HydrophobicContact CG-CD1 4.13Å; Y661-L687 HydrophobicContact CD1-CD1 3.9Å; Y661-L687 HydrophobicContact CE1-CD1 3.6Å; L687-P690 HydrophobicContact CD2-CB 3.64Å; L687-P690 HydrophobicContact CG-CB 3.94Å; L687-D695 HydrophobicContact CD2-CB 3.76Å; L687-L716 HydrophobicContact CD2-CD1 3.97Å
688	N	87.9	Confident	85.4	Confident	33 Å²	33	33.8 Å²	33.8	18%	0.176	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.4	-179.4	-67.4	-41.3	0	0	0	111.1	Q659 K660 I662 R686	Q659-N688 PolarHBondContact O-ND2 2.89Å; K660-N688 PolarHBondContact O-N 3.14Å; I662-N688 WeakPolarHBondContact CD1-ND2 3.32Å; R686-N688 WeakPolarHBondContact CD-OD1 3.36Å; R686-N688 WeakPolarHBondContact CG-OD1 3.45Å
689	R	82.9	Confident	86.8	Confident	147 Å²	147	32 Å²	32	56%	0.555	16%	0.161	S	C	*	.	S	Bend	trans	47.2	60.4	178.8	-57	178.6	-175	175.6	-2.2	111.4	D609 P610 K660	D609-R689 IonicContact OD1-NH2 3.77Å; D609-R689 IonicContact OD2-CZ 2.84Å; D609-R689 IonicContact OD2-NE 2.89Å; D609-R689 PolarHBondContact OD2-NE 2.67Å; D609-R689 IonicContact OD2-NH2 2.76Å; D609-R689 PolarHBondContact OD2-NH2 3.18Å; P610-R689 WeakPolarHBondContact O-CA 3.31Å; P610-R689 PolarHBondContact O-N 2.91Å; K660-R689 PolarHBondContact NZ-O 3.44Å
690	P	85.5	Confident	87.8	Confident	9 Å²	9	31.9 Å²	31.9	6%	0.058	16%	0.16	C	C	.	.			trans	-72.1	142.3	-177.6	34.6	-37.6	0	0	0	110.1	P610 I612 L687 D695 F722 F725	P610-P690 VanDerWaalsContact O-CD 3.25Å; P610-P690 WeakPolarHBondContact O-CD 3.4Å; I612-P690 HydrophobicContact CD1-CB 3.96Å; I612-P690 HydrophobicContact CD1-CG 3.92Å; I612-P690 HydrophobicContact CG1-CB 4.47Å; I612-P690 HydrophobicContact CG1-CG 4.05Å; L687-P690 HydrophobicContact CD2-CB 3.64Å; L687-P690 HydrophobicContact CG-CB 3.94Å; P690-D695 VanDerWaalsContact CA-OD2 3.24Å; P690-D695 WeakPolarHBondContact CA-OD2 3.34Å; P690-F722 HydrophobicContact CB-CE1 3.89Å; P690-F725 HydrophobicContact CG-CD1 3.87Å; P690-F725 HydrophobicContact CG-CE1 3.19Å; P690-F725 HydrophobicContact CG-CE2 4.27Å; P690-F725 HydrophobicContact CG-CZ 3.43Å; P690-F725 VanDerWaalsContact CG-CZ 3.43Å
691	S	80.6	Confident	88.3	Confident	32 Å²	32	31.6 Å²	31.6	22%	0.224	16%	0.159	C	C	.	.			trans	-124.3	138.4	176.8	-174.8	0	0	0	0	111.2	S693 E694 D695 F722	S691-S693 PolarHBondContact O-N 3.28Å; S691-S693 PolarHBondContact OG-N 3.46Å; S691-S693 PolarHBondContact OG-OG 2.94Å; S691-E694 PolarHBondContact O-N 3.46Å; S691-E694 VanDerWaalsContact O-N 3.16Å; S691-D695 PolarHBondContact N-OD2 3.12Å; S691-D695 PolarHBondContact O-N 3.34Å; S691-F722 WeakPolarHBondContact O-CE1 3.43Å
692	S	77.7	Confident	88.7	Confident	23 Å²	23	35 Å²	35	16%	0.161	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.2	175.2	51.6	0	0	0	0	112.3	E694 I696 D726	S692-E694 VanDerWaalsContact C-N 3.32Å; S692-E694 PolarHBondContact O-N 3.2Å; S692-I696 WeakPolarHBondContact O-CD1 3.46Å; S692-I696 WeakPolarHBondContact O-CG1 3.28Å; S692-D726 VanDerWaalsContact CB-OD2 3.29Å; S692-D726 WeakPolarHBondContact CB-OD2 3.34Å; S692-D726 PolarHBondContact OG-OD1 2.83Å; S692-D726 PolarHBondContact OG-OD2 2.79Å
693	S	76.1	Confident	88.7	Confident	69 Å²	69	31.5 Å²	31.5	48%	0.483	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-32	172.5	59.5	0	0	0	0	113.9	S691	S691-S693 PolarHBondContact O-N 3.28Å; S691-S693 PolarHBondContact OG-N 3.46Å; S691-S693 PolarHBondContact OG-OG 2.94Å
694	E	81	Confident	88.5	Confident	70 Å²	70	34.7 Å²	34.7	33%	0.327	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-37.4	-160.1	-82.1	156.2	-128.8	0	0	114.3	R630 K660 S691 S692	R630-E694 PolarHBondContact NH1-O 3.12Å; R630-E694 PolarHBondContact NH2-O 3.14Å; K660-E694 IonicContact NZ-OE2 3.33Å; K660-E694 PolarHBondContact NZ-OE2 3.21Å; S691-E694 PolarHBondContact O-N 3.46Å; S691-E694 VanDerWaalsContact O-N 3.16Å; S692-E694 VanDerWaalsContact C-N 3.32Å; S692-E694 PolarHBondContact O-N 3.2Å
695	D	87.4	Confident	88	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.011	17%	0.172	C	C	.	.			trans	-102.3	-11.1	-161.8	-69.1	-59.4	0	0	0	114.7	R630 K660 L687 P690 S691 A697 Y699 F722	R630-D695 PolarHBondContact NE-O 2.87Å; K660-D695 VanDerWaalsContact CE-CG 3.45Å; K660-D695 WeakPolarHBondContact CE-OD1 3.45Å; K660-D695 WeakPolarHBondContact CE-OD2 3.31Å; K660-D695 IonicContact NZ-OD1 3.23Å; K660-D695 IonicContact NZ-OD2 3.26Å; K660-D695 PolarHBondContact NZ-OD2 3.18Å; L687-D695 HydrophobicContact CD2-CB 3.76Å; P690-D695 VanDerWaalsContact CA-OD2 3.24Å; P690-D695 WeakPolarHBondContact CA-OD2 3.34Å; S691-D695 PolarHBondContact N-OD2 3.12Å; S691-D695 PolarHBondContact O-N 3.34Å; D695-A697 PolarHBondContact O-N 3.3Å; D695-Y699 WeakPolarHBondContact O-CE2 3.47Å; D695-Y699 PolarHBondContact O-OH 3.43Å; D695-F722 HydrophobicContact CB-CE1 4.38Å; D695-F722 HydrophobicContact CB-CZ 4Å
696	I	86.2	Confident	87.2	Confident	49 Å²	49	36.7 Å²	36.7	25%	0.251	18%	0.181	S	C	.	.			trans	-52.4	122.5	170.7	-64.8	176.9	0	0	0	109	R630 S692 V718 F722	R630-I696 PolarHBondContact NH2-O 2.88Å; S692-I696 WeakPolarHBondContact O-CD1 3.46Å; S692-I696 WeakPolarHBondContact O-CG1 3.28Å; I696-V718 HydrophobicContact CD1-CG2 3.44Å; I696-V718 VanDerWaalsContact CD1-CG2 3.44Å; I696-F722 HydrophobicContact CG1-CD2 4.17Å; I696-F722 HydrophobicContact CG1-CE2 3.74Å; I696-F722 HydrophobicContact CG1-CZ 4.29Å
697	A	88.7	Confident	86.6	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.017	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	163.8	-175.1	0	0	0	0	0	111.7	R630 N631 D695 Y699 L716	R630-A697 HydrophobicContact CG-CB 3.42Å; R630-A697 VanDerWaalsContact CG-CB 3.42Å; N631-A697 WeakPolarHBondContact OD1-CA 3.44Å; N631-A697 VanDerWaalsContact OD1-CB 3.26Å; N631-A697 WeakPolarHBondContact OD1-CB 3.43Å; D695-A697 PolarHBondContact O-N 3.3Å; A697-Y699 HydrophobicContact CB-CD2 4.14Å; A697-Y699 HydrophobicContact CB-CE2 3.7Å; A697-L716 PolarHBondContact O-N 3.32Å
698	T	90.6	Very high	86	Confident	52 Å²	52	38.3 Å²	38.3	32%	0.319	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120	157.4	-47.3	0	0	0	0	109.2	N631 T714 V715	N631-T698 PolarHBondContact N-O 3.39Å; N631-T698 PolarHBondContact OD1-N 3.45Å; T698-T714 CarbonylContact C-O 3.55Å; T698-T714 WeakPolarHBondContact CA-O 3.15Å; T698-T714 WeakPolarHBondContact CG2-O 3.33Å; T698-V715 HydrophobicContact CG2-CG2 4.22Å
699	Y	94.3	Very high	86.1	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	143.4	170.8	-70.1	-101.2	0	0	0	109.4	M614 Y629 R630 I635 Y661 L685 D695 A697 S713 T714 L716	M614-Y699 HydrophobicContact CE-CD1 3.76Å; M614-Y699 HydrophobicContact CE-CD2 4.36Å; M614-Y699 HydrophobicContact CE-CE1 3.91Å; M614-Y699 HydrophobicContact CE-CE2 4.49Å; M614-Y699 HydrophobicContact CE-CG 4Å; M614-Y699 HydrophobicContact SD-CD1 3.89Å; M614-Y699 HydrophobicContact SD-CD2 3.85Å; M614-Y699 HydrophobicContact SD-CE2 4.48Å; M614-Y699 HydrophobicContact SD-CG 3.51Å; M614-Y699 VanDerWaalsContact SD-CG 3.51Å; Y629-Y699 CarbonylContact O-C 3.49Å; Y629-Y699 WeakPolarHBondContact O-CA 3.49Å; R630-Y699 HydrophobicContact CB-CD1 4.15Å; R630-Y699 HydrophobicContact CB-CE1 3.89Å; R630-Y699 WeakPolarHBondContact CD-OH 3.38Å; R630-Y699 HydrophobicContact CG-CD1 4.26Å; R630-Y699 HydrophobicContact CG-CE1 3.74Å; R630-Y699 HydrophobicContact CG-CE2 4.19Å; R630-Y699 PolarHBondContact NE-OH 2.76Å; I635-Y699 HydrophobicContact CD1-CD1 3.89Å; I635-Y699 HydrophobicContact CD1-CE1 4.05Å; Y661-Y699 HydrophobicContact CE1-CE1 4.22Å; L685-Y699 HydrophobicContact CD2-CD1 3.92Å; L685-Y699 HydrophobicContact CD2-CE1 4.38Å; D695-Y699 WeakPolarHBondContact O-CE2 3.47Å; D695-Y699 PolarHBondContact O-OH 3.43Å; A697-Y699 HydrophobicContact CB-CD2 4.14Å; A697-Y699 HydrophobicContact CB-CE2 3.7Å; Y699-S713 CarbonylContact O-C 3.59Å; Y699-S713 VanDerWaalsContact O-CA 3.26Å; Y699-S713 WeakPolarHBondContact O-CA 3.48Å; Y699-T714 PolarHBondContact N-O 2.96Å; Y699-T714 PolarHBondContact O-N 2.94Å; Y699-T714 VanDerWaalsContact O-O 3.09Å; Y699-L716 HydrophobicContact CD2-CD1 3.94Å; Y699-L716 HydrophobicContact CD2-CG 3.74Å; Y699-L716 HydrophobicContact CE2-CB 4.28Å; Y699-L716 HydrophobicContact CE2-CD1 3.39Å; Y699-L716 HydrophobicContact CE2-CG 3.63Å
700	S	95.3	Very high	86.4	Confident	7 Å²	7	35 Å²	35	5%	0.049	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.1	179.3	60.5	0	0	0	0	113	L628 Y629 T712 S713	L628-S700 WeakPolarHBondContact CA-O 3.12Å; Y629-S700 PolarHBondContact N-O 2.81Å; Y629-S700 PolarHBondContact O-N 3.48Å; S700-T712 CarbonylContact C-O 3.58Å; S700-T712 VanDerWaalsContact CA-O 3.26Å; S700-T712 WeakPolarHBondContact CA-O 3.26Å; S700-T712 VanDerWaalsContact CB-O 3.32Å; S700-T712 WeakPolarHBondContact CB-O 3.44Å; S700-S713 VanDerWaalsContact CB-OG 3.28Å; S700-S713 WeakPolarHBondContact CB-OG 3.39Å
701	C	95.2	Very high	86.7	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.7	170.2	-172.6	0	0	0	0	108.8	F594 L628 I711 T712	F594-C701 HydrophobicContact CE1-CB 4.32Å; F594-C701 HydrophobicContact CZ-CB 4.1Å; L628-C701 HydrophobicContact CD2-CB 3.86Å; C701-I711 WeakPolarHBondContact O-CA 3.4Å; C701-T712 HydrophobicContact CB-CG2 4.07Å; C701-T712 PolarHBondContact N-O 3.34Å; C701-T712 PolarHBondContact O-N 2.69Å; C701-T712 VanDerWaalsContact O-N 3.09Å
702	R	94.3	Very high	87.3	Confident	74 Å²	74	34.7 Å²	34.7	28%	0.279	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.2	174.9	-56.6	-172.3	-168.6	170.2	-0.1	108.5	C626 L627 Y629 W704 I711	C626-R702 CarbonylContact C-O 3.52Å; C626-R702 WeakPolarHBondContact CA-O 3.12Å; L627-R702 PolarHBondContact N-O 2.89Å; L627-R702 PolarHBondContact O-N 3.37Å; Y629-R702 HydrophobicContact CD2-CG 3.92Å; Y629-R702 HydrophobicContact CE2-CB 4.04Å; Y629-R702 HydrophobicContact CE2-CG 3.67Å; R702-W704 HydrophobicContact CB-CE3 4.44Å; R702-W704 HydrophobicContact CB-CZ3 4.18Å; R702-I711 HydrophobicContact CG-CB 4.32Å; R702-I711 HydrophobicContact CG-CD1 3.78Å; R702-I711 HydrophobicContact CG-CG1 3.89Å
703	A	92.2	Very high	88.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.1	-178.8	0	0	0	0	0	110.5	P592 F594 V618 P624 R625 R709 T710	P592-A703 HydrophobicContact CB-CB 4.21Å; F594-A703 HydrophobicContact CE1-CB 4.46Å; F594-A703 HydrophobicContact CE2-CB 4.27Å; F594-A703 HydrophobicContact CZ-CB 3.78Å; V618-A703 HydrophobicContact CG2-CB 3.78Å; P624-A703 HydrophobicContact CB-CB 4.18Å; R625-A703 CarbonylContact O-C 3.07Å; R625-A703 VanDerWaalsContact O-CA 3.31Å; R625-A703 WeakPolarHBondContact O-CA 3.23Å; A703-R709 CarbonylContact O-C 3.56Å; A703-R709 WeakPolarHBondContact O-CA 3.47Å; A703-T710 HydrophobicContact CB-CG2 4.02Å; A703-T710 PolarHBondContact N-O 3.07Å; A703-T710 PolarHBondContact O-N 3.18Å
704	W	89.6	Confident	88.9	Confident	67 Å²	67	33 Å²	33	25%	0.254	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	153	176.8	68.1	98.3	0	0	0	113.2	P624 R625 L627 R702 G708 R709	P624-W704 CarbonylContact C-O 3.58Å; P624-W704 WeakPolarHBondContact CA-O 3.5Å; R625-W704 HydrophobicContact CB-CD2 4.37Å; R625-W704 HydrophobicContact CG-CH2 4.27Å; R625-W704 HydrophobicContact CG-CZ2 3.99Å; R625-W704 PolarHBondContact N-O 3.34Å; R625-W704 PolarHBondContact O-N 2.9Å; L627-W704 HydrophobicContact CB-CH2 4.29Å; L627-W704 HydrophobicContact CB-CZ3 4.19Å; L627-W704 HydrophobicContact CD1-CH2 3.76Å; L627-W704 HydrophobicContact CD1-CZ3 4.44Å; L627-W704 HydrophobicContact CG-CH2 3.78Å; L627-W704 HydrophobicContact CG-CZ3 4.15Å; R702-W704 HydrophobicContact CB-CE3 4.44Å; R702-W704 HydrophobicContact CB-CZ3 4.18Å; W704-G708 VanDerWaalsContact CA-O 3.25Å; W704-G708 WeakPolarHBondContact CA-O 3.39Å; W704-G708 WeakPolarHBondContact CB-O 3.29Å; W704-R709 HydrophobicContact CB-CB 3.65Å
705	N	83.6	Confident	89.3	Confident	22 Å²	22	33.9 Å²	33.9	12%	0.118	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	-166.5	167.7	69	10.7	0	0	0	109.1	C590 P592 P622 Y707 G708	C590-N705 PolarHBondContact O-ND2 2.77Å; P592-N705 WeakPolarHBondContact CD-OD1 3.16Å; P592-N705 HydrophobicContact CG-CB 4.13Å; P622-N705 HydrophobicContact CG-CB 4.28Å; P622-N705 PolarHBondContact O-ND2 3.04Å; N705-Y707 PolarHBondContact O-N 3.48Å; N705-Y707 WeakPolarHBondContact OD1-CA 3.3Å; N705-Y707 PolarHBondContact OD1-N 2.6Å; N705-G708 PolarHBondContact N-O 2.96Å; N705-G708 PolarHBondContact OD1-N 2.87Å
706	C	77.9	Confident	89.3	Confident	29 Å²	29	33.8 Å²	33.8	20%	0.196	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12	177.5	46.7	0	0	0	0	115.1	Y779	C706-Y779 WeakPolarHBondContact O-CE2 3.38Å; C706-Y779 PolarHBondContact O-OH 2.9Å
707	Y	80.6	Confident	88.9	Confident	91 Å²	91	32.7 Å²	32.7	36%	0.357	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.5	-178.6	-56	-65.5	0	0	0	114.1	Q589 S591 N621 P622 N705	Q589-Y707 HydrophobicContact CB-CD2 4.19Å; Q589-Y707 HydrophobicContact CB-CE2 3.62Å; Q589-Y707 HydrophobicContact CG-CE2 4Å; Q589-Y707 PolarHBondContact NE2-OH 2.67Å; Q589-Y707 PolarHBondContact OE1-OH 3.32Å; S591-Y707 WeakPolarHBondContact CB-O 3.22Å; S591-Y707 PolarHBondContact OG-O 3.16Å; N621-Y707 WeakPolarHBondContact O-CD2 3.05Å; N621-Y707 WeakPolarHBondContact O-CE2 3.48Å; P622-Y707 VanDerWaalsContact CD-CE2 3.42Å; N705-Y707 PolarHBondContact O-N 3.48Å; N705-Y707 WeakPolarHBondContact OD1-CA 3.3Å; N705-Y707 PolarHBondContact OD1-N 2.6Å
708	G	79.4	Confident	88	Confident	25 Å²	25	36 Å²	36	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	155.3	-176.2	174.8	0	0	0	0	0	114.8	P592 W704 N705	P592-G708 WeakPolarHBondContact CD-O 3.49Å; W704-G708 VanDerWaalsContact CA-O 3.25Å; W704-G708 WeakPolarHBondContact CA-O 3.39Å; W704-G708 WeakPolarHBondContact CB-O 3.29Å; N705-G708 PolarHBondContact N-O 2.96Å; N705-G708 PolarHBondContact OD1-N 2.87Å
709	R	88.9	Confident	86.8	Confident	101 Å²	101	41.1 Å²	41.1	38%	0.381	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	144.7	-177.4	71.6	-169.3	-172.1	-140.2	-6.7	112	A703 W704 L775 E777	A703-R709 CarbonylContact O-C 3.56Å; A703-R709 WeakPolarHBondContact O-CA 3.47Å; W704-R709 HydrophobicContact CB-CB 3.65Å; R709-L775 HydrophobicContact CG-CB 3.89Å; R709-L775 HydrophobicContact CG-CD1 4.28Å; R709-L775 PolarHBondContact O-N 3Å; R709-E777 IonicContact CZ-OE1 2.76Å; R709-E777 IonicContact CZ-OE2 3.31Å; R709-E777 IonicContact NH1-OE1 3.75Å; R709-E777 IonicContact NH1-OE2 2.98Å; R709-E777 PolarHBondContact NH1-OE2 2.91Å; R709-E777 IonicContact NH2-OE1 2.72Å; R709-E777 PolarHBondContact NH2-OE1 3.06Å; R709-E777 IonicContact NH2-OE2 3.55Å; R709-E777 PolarHBondContact NH2-OE2 2.84Å; R709-E777 VanDerWaalsContact NH2-OE2 3.12Å
710	T	88.6	Confident	85.4	Confident	9 Å²	9	46.5 Å²	46.5	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.5	178.8	-175.6	0	0	0	0	110.9	P592 F594 A703	P592-T710 HydrophobicContact CB-CG2 4.13Å; P592-T710 WeakPolarHBondContact O-CG2 3.24Å; F594-T710 HydrophobicContact CD2-CG2 3.72Å; F594-T710 HydrophobicContact CE2-CG2 3.54Å; F594-T710 HydrophobicContact CZ-CG2 4.41Å; A703-T710 HydrophobicContact CB-CG2 4.02Å; A703-T710 PolarHBondContact N-O 3.07Å; A703-T710 PolarHBondContact O-N 3.18Å
711	I	92.4	Very high	84.2	Confident	36 Å²	36	48.1 Å²	48.1	19%	0.185	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	140.3	176.4	-175.6	172	0	0	0	110.5	C701 R702 I772 T773	C701-I711 WeakPolarHBondContact O-CA 3.4Å; R702-I711 HydrophobicContact CG-CB 4.32Å; R702-I711 HydrophobicContact CG-CD1 3.78Å; R702-I711 HydrophobicContact CG-CG1 3.89Å; I711-I772 WeakPolarHBondContact O-CA 3.23Å; I711-T773 PolarHBondContact N-O 2.78Å; I711-T773 PolarHBondContact O-N 3.1Å
712	T	94.1	Very high	83	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.4	166	-177.9	0	0	0	0	109.4	F594 P597 L598 C616 S700 C701	F594-T712 HydrophobicContact CD1-CG2 3.78Å; F594-T712 HydrophobicContact CD2-CG2 3.73Å; F594-T712 HydrophobicContact CE1-CG2 3.66Å; F594-T712 HydrophobicContact CE2-CG2 3.59Å; F594-T712 HydrophobicContact CG-CG2 3.83Å; F594-T712 HydrophobicContact CZ-CG2 3.58Å; P597-T712 VanDerWaalsContact CA-OG1 3.32Å; P597-T712 WeakPolarHBondContact CA-OG1 3.45Å; P597-T712 WeakPolarHBondContact CB-OG1 3.41Å; L598-T712 HydrophobicContact CB-CG2 3.84Å; L598-T712 PolarHBondContact N-OG1 2.98Å; C616-T712 HydrophobicContact CB-CG2 4.38Å; S700-T712 CarbonylContact C-O 3.58Å; S700-T712 VanDerWaalsContact CA-O 3.26Å; S700-T712 WeakPolarHBondContact CA-O 3.26Å; S700-T712 VanDerWaalsContact CB-O 3.32Å; S700-T712 WeakPolarHBondContact CB-O 3.44Å; C701-T712 HydrophobicContact CB-CG2 4.07Å; C701-T712 PolarHBondContact N-O 3.34Å; C701-T712 PolarHBondContact O-N 2.69Å; C701-T712 VanDerWaalsContact O-N 3.09Å
713	S	93.7	Very high	81.2	Confident	31 Å²	31	49.1 Å²	49.1	22%	0.217	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.5	-176.4	-49.9	0	0	0	0	112.3	Y699 S700 L771	Y699-S713 CarbonylContact O-C 3.59Å; Y699-S713 VanDerWaalsContact O-CA 3.26Å; Y699-S713 WeakPolarHBondContact O-CA 3.48Å; S700-S713 VanDerWaalsContact CB-OG 3.28Å; S700-S713 WeakPolarHBondContact CB-OG 3.39Å; S713-L771 PolarHBondContact N-O 3.35Å
714	T	92.2	Very high	79.5	Confident	26 Å²	26	56.6 Å²	56.6	16%	0.16	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	165.3	171.8	-162.7	0	0	0	0	110.3	L598 V600 M614 T698 Y699	L598-T714 HydrophobicContact CD2-CG2 3.94Å; L598-T714 HydrophobicContact CG-CG2 3.95Å; L598-T714 WeakPolarHBondContact O-CB 3.47Å; V600-T714 HydrophobicContact CG2-CG2 3.94Å; M614-T714 HydrophobicContact CG-CG2 4.33Å; M614-T714 HydrophobicContact SD-CG2 4.14Å; T698-T714 CarbonylContact C-O 3.55Å; T698-T714 WeakPolarHBondContact CA-O 3.15Å; T698-T714 WeakPolarHBondContact CG2-O 3.33Å; Y699-T714 PolarHBondContact N-O 2.96Å; Y699-T714 PolarHBondContact O-N 2.94Å; Y699-T714 VanDerWaalsContact O-O 3.09Å
715	V	89.4	Confident	77.9	Confident	87 Å²	87	55.3 Å²	55.3	53%	0.527	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.4	-178.5	-178	0	0	0	0	108.7	T698	T698-V715 HydrophobicContact CG2-CG2 4.22Å
716	L	87.5	Confident	76.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.6	170.1	-57.2	-173.3	0	0	0	109.8	V600 I612 M614 L687 A697 Y699 H721 F722	V600-L716 HydrophobicContact CB-CD2 4.48Å; V600-L716 HydrophobicContact CG1-CD2 3.99Å; V600-L716 HydrophobicContact CG2-CD2 3.59Å; I612-L716 HydrophobicContact CD1-CD1 4.44Å; I612-L716 HydrophobicContact CG2-CD1 4.34Å; I612-L716 HydrophobicContact CG2-CD2 4.19Å; M614-L716 HydrophobicContact CE-CD1 4.08Å; M614-L716 HydrophobicContact CG-CD2 4.34Å; M614-L716 HydrophobicContact SD-CD1 4.16Å; M614-L716 HydrophobicContact SD-CD2 3.91Å; M614-L716 HydrophobicContact SD-CG 4.17Å; L687-L716 HydrophobicContact CD2-CD1 3.97Å; A697-L716 PolarHBondContact O-N 3.32Å; Y699-L716 HydrophobicContact CD2-CD1 3.94Å; Y699-L716 HydrophobicContact CD2-CG 3.74Å; Y699-L716 HydrophobicContact CE2-CB 4.28Å; Y699-L716 HydrophobicContact CE2-CD1 3.39Å; Y699-L716 HydrophobicContact CE2-CG 3.63Å; L716-H721 VanDerWaalsContact CD2-CD2 3.44Å; L716-H721 WeakPolarHBondContact CD2-CD2 3.27Å; L716-F722 HydrophobicContact CB-CE2 4.12Å
717	S	79.3	Confident	74.1	Confident	27 Å²	27	60.8 Å²	60.8	19%	0.189	32%	0.323	C	S	.	.			trans	-102.6	155.5	179.7	106.5	0	0	0	0	112.2	Q719 D720 H721 F722	S717-Q719 VanDerWaalsContact C-N 3.34Å; S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 PolarHBondContact OG-N 3.35Å; S717-D720 WeakPolarHBondContact CB-OD2 3.4Å; S717-D720 PolarHBondContact OG-N 3.03Å; S717-D720 VanDerWaalsContact OG-N 3.12Å; S717-D720 PolarHBondContact OG-OD2 3.28Å; S717-H721 PolarHBondContact O-N 3.12Å; S717-F722 VanDerWaalsContact O-CD2 3.31Å; S717-F722 WeakPolarHBondContact O-CD2 3.39Å
718	V	69.7	Low	71.9	Confident	72 Å²	72	61.2 Å²	61.2	44%	0.436	34%	0.336	S	S	.	.	H	α-helix	trans	-55.6	-51.3	171.9	-176.9	0	0	0	0	110.8	I696 D720 F722 T723	I696-V718 HydrophobicContact CD1-CG2 3.44Å; I696-V718 VanDerWaalsContact CD1-CG2 3.44Å; V718-D720 PolarHBondContact O-N 3.25Å; V718-F722 PolarHBondContact O-N 2.96Å; V718-T723 PolarHBondContact O-N 3.25Å
719	Q	64.8	Low	69.6	Low	158 Å²	158	67.3 Å²	67.3	74%	0.738	36%	0.362	S	S	*	.	H	α-helix	trans	-65.5	-44	-166.2	-66.9	168.5	-16.4	0	0	111.1	S717 T723	S717-Q719 VanDerWaalsContact C-N 3.34Å; S717-Q719 PolarHBondContact O-N 2.94Å; S717-Q719 PolarHBondContact OG-N 3.35Å; Q719-T723 WeakPolarHBondContact O-CG2 3.36Å; Q719-T723 PolarHBondContact O-OG1 3.48Å
720	D	65.1	Low	66.9	Low	115 Å²	115	71 Å²	71	62%	0.615	38%	0.384	S	S	*	.	H	α-helix	trans	-85.3	-24.5	-171.7	-55.3	-64.4	0	0	0	113.5	S717 V718	S717-D720 WeakPolarHBondContact CB-OD2 3.4Å; S717-D720 PolarHBondContact OG-N 3.03Å; S717-D720 VanDerWaalsContact OG-N 3.12Å; S717-D720 PolarHBondContact OG-OD2 3.28Å; V718-D720 PolarHBondContact O-N 3.25Å
721	H	69.3	Low	64.1	Low	40 Å²	40	79.5 Å²	79.5	19%	0.185	42%	0.42	C	S	.	.	H	α-helix	trans	-132.8	-38.9	-166.9	-52.5	-22.4	0	0	0	115.1	I612 L716 S717 F725	I612-H721 HydrophobicContact CD1-CB 4.25Å; L716-H721 VanDerWaalsContact CD2-CD2 3.44Å; L716-H721 WeakPolarHBondContact CD2-CD2 3.27Å; S717-H721 PolarHBondContact O-N 3.12Å; H721-F725 WeakPolarHBondContact O-CD2 3.4Å; H721-F725 VanDerWaalsContact O-CE2 3.31Å; H721-F725 WeakPolarHBondContact O-CE2 3.47Å
722	F	69.5	Low	61.2	Low	0 Å²	0	83.8 Å²	83.8	0%	0	45%	0.45	C	S	.	.	G	3₁₀ helix	trans	-87.4	-12.6	-174.8	-66.7	-87.8	0	0	0	114.1	I612 P690 S691 D695 I696 L716 S717 V718 K724 F725 D726	I612-F722 HydrophobicContact CD1-CE1 4.37Å; I612-F722 HydrophobicContact CD1-CZ 4.28Å; P690-F722 HydrophobicContact CB-CE1 3.89Å; S691-F722 WeakPolarHBondContact O-CE1 3.43Å; D695-F722 HydrophobicContact CB-CE1 4.38Å; D695-F722 HydrophobicContact CB-CZ 4Å; I696-F722 HydrophobicContact CG1-CD2 4.17Å; I696-F722 HydrophobicContact CG1-CE2 3.74Å; I696-F722 HydrophobicContact CG1-CZ 4.29Å; L716-F722 HydrophobicContact CB-CE2 4.12Å; S717-F722 VanDerWaalsContact O-CD2 3.31Å; S717-F722 WeakPolarHBondContact O-CD2 3.39Å; V718-F722 PolarHBondContact O-N 2.96Å; F722-K724 PolarHBondContact O-N 3.17Å; F722-F725 PolarHBondContact O-N 2.77Å; F722-D726 PolarHBondContact O-N 3.21Å
723	T	57.7	Low	58	Low	96 Å²	96	91.5 Å²	91.5	59%	0.589	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-53.3	-21.9	179.8	44.7	0	0	0	0	115.6	V718 Q719	V718-T723 PolarHBondContact O-N 3.25Å; Q719-T723 WeakPolarHBondContact O-CG2 3.36Å; Q719-T723 PolarHBondContact O-OG1 3.48Å
724	K	56.9	Low	55	Low	156 Å²	156	97.8 Å²	97.8	68%	0.678	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-90.6	-16.2	175.1	-69.2	-178.2	178.9	176.5	0	115	M603 F722	M603-K724 HydrophobicContact SD-CB 4.26Å; M603-K724 HydrophobicContact SD-CD 4.02Å; F722-K724 PolarHBondContact O-N 3.17Å
725	F	55.7	Low	52	Low	40 Å²	40	103.5 Å²	103.5	18%	0.175	55%	0.551	C	S	.	*	T	Hydrogen-bonded Turn	trans	-91	-37.8	-175.8	-64.2	-101.3	0	0	0	111.8	M603 P610 I612 P690 H721 F722 C727	M603-F725 HydrophobicContact CE-CD2 4.29Å; M603-F725 HydrophobicContact CE-CE1 3.98Å; M603-F725 HydrophobicContact CE-CE2 3.44Å; M603-F725 VanDerWaalsContact CE-CE2 3.44Å; M603-F725 HydrophobicContact CE-CZ 3.25Å; M603-F725 HydrophobicContact SD-CD2 4.33Å; M603-F725 HydrophobicContact SD-CE2 3.4Å; M603-F725 WeakPolarHBondContact SD-CE2 3.39Å; M603-F725 HydrophobicContact SD-CZ 3.76Å; P610-F725 HydrophobicContact CB-CD1 4.16Å; P610-F725 HydrophobicContact CB-CE1 3.6Å; P610-F725 HydrophobicContact CB-CZ 4.49Å; P610-F725 HydrophobicContact CG-CD1 4.13Å; P610-F725 HydrophobicContact CG-CE1 3.96Å; I612-F725 HydrophobicContact CD1-CE2 4.25Å; I612-F725 HydrophobicContact CD1-CZ 4.29Å; I612-F725 HydrophobicContact CG1-CE2 4.29Å; I612-F725 HydrophobicContact CG1-CZ 4Å; P690-F725 HydrophobicContact CG-CD1 3.87Å; P690-F725 HydrophobicContact CG-CE1 3.19Å; P690-F725 HydrophobicContact CG-CE2 4.27Å; P690-F725 HydrophobicContact CG-CZ 3.43Å; P690-F725 VanDerWaalsContact CG-CZ 3.43Å; H721-F725 WeakPolarHBondContact O-CD2 3.4Å; H721-F725 VanDerWaalsContact O-CE2 3.31Å; H721-F725 WeakPolarHBondContact O-CE2 3.47Å; F722-F725 PolarHBondContact O-N 2.77Å; F725-C727 PolarHBondContact O-N 2.95Å
726	D	47.1	Very low	49.3	Very low	71 Å²	71	105.7 Å²	105.7	38%	0.38	56%	0.56	S	S	.	*	S	Bend	trans	-81.9	40.9	-171.7	-66.7	-31.6	0	0	0	114.3	S692 F722 K874	S692-D726 VanDerWaalsContact CB-OD2 3.29Å; S692-D726 WeakPolarHBondContact CB-OD2 3.34Å; S692-D726 PolarHBondContact OG-OD1 2.83Å; S692-D726 PolarHBondContact OG-OD2 2.79Å; F722-D726 PolarHBondContact O-N 3.21Å; D726-K874 PolarHBondContact O-NZ 3.31Å
727	C	34	Very low	46.6	Very low	96 Å²	96	111.4 Å²	111.4	65%	0.649	59%	0.591	S	S	*	*			trans	-111.3	124.4	179.9	-149	0	0	0	0	111.6	F725 L729	F725-C727 PolarHBondContact O-N 2.95Å; C727-L729 PolarHBondContact O-N 3.37Å
728	P	34.2	Very low	44.4	Very low	99 Å²	99	116.5 Å²	116.5	64%	0.643	62%	0.616	S	S	*	*			trans	-79	113.4	-174.2	29	-30.2	0	0	0	111.4	E730	P728-E730 PolarHBondContact O-N 2.87Å
729	L	32.6	Very low	42.6	Very low	154 Å²	154	119.8 Å²	119.8	81%	0.806	63%	0.631	S	S	*	*			trans	-71.1	121.5	176	-79.1	166.4	0	0	0	112.7	C727	C727-L729 PolarHBondContact O-N 3.37Å
730	E	32.1	Very low	40.9	Very low	177 Å²	177	119.2 Å²	119.2	83%	0.827	63%	0.631	S	S	*	*			trans	69.2	148.2	146.8	-56.4	-166.2	138.6	0	0	121.4	P728	P728-E730 PolarHBondContact O-N 2.87Å
731	K	27.9	Very low	39.3	Very low	189 Å²	189	119.6 Å²	119.6	82%	0.822	64%	0.637	S	S	*	*			trans	-104.3	141.1	177.5	-58.2	169.3	-177.2	170.8	0	108.4	N733	K731-N733 PolarHBondContact O-N 3.49Å
732	P	31.9	Very low	37.3	Very low	126 Å²	126	126.2 Å²	126.2	82%	0.818	67%	0.666	S	S	*	*			trans	-68.5	121.8	165.5	28.9	-32	0	0	0	109.7
733	N	26.8	Very low	35.5	Very low	161 Å²	161	133.5 Å²	133.5	86%	0.861	70%	0.703	S	S	*	*			trans	-68.8	136.5	166	-76.4	-38.3	0	0	0	109.6	K731	K731-N733 PolarHBondContact O-N 3.49Å
734	L	31.8	Very low	34.2	Very low	163 Å²	163	135.1 Å²	135.1	85%	0.853	71%	0.708	S	S	*	*			trans	-148.5	100.5	162.9	-109.3	163	0	0	0	108.1
735	N	28.2	Very low	33	Very low	146 Å²	146	133.5 Å²	133.5	78%	0.781	71%	0.714	S	S	*	*			trans	-63.4	134.4	156.7	-80.3	-11.9	0	0	0	107.5
736	D	33.2	Very low	31.9	Very low	134 Å²	134	139.5 Å²	139.5	72%	0.717	75%	0.746	S	S	*	*				-165.6	118.7	116.5	-100.9	-18.4	0	0	0	112.3
737	N	32	Very low	31.1	Very low	120 Å²	120	144.1 Å²	144.1	64%	0.642	77%	0.765	S	S	*	*			trans	59.7	105.9	134.8	-55.1	-33.8	0	0	0	120.7
738	N	31.1	Very low	31.1	Very low	134 Å²	134	145 Å²	145	72%	0.717	77%	0.773	S	S	*	*				97.2	133.2	124.3	-63.1	-13.7	0	0	0	120.8
739	N	32.8	Very low	30.8	Very low	141 Å²	141	144.9 Å²	144.9	75%	0.754	78%	0.779	S	S	*	*			trans	76.6	137	153.2	-58.3	-15.7	0	0	0	119.2
740	I	28.9	Very low	30.7	Very low	146 Å²	146	144.2 Å²	144.2	75%	0.749	78%	0.781	S	S	*	*			cis	-166.4	170.5	-27.4	-128.5	166.8	0	0	0	108
741	V	31.3	Very low	30.5	Very low	122 Å²	122	142.7 Å²	142.7	74%	0.739	78%	0.779	S	S	*	*			trans	70.9	102.8	-177.2	-170	0	0	0	0	113.1
742	K	27.7	Very low	30.6	Very low	180 Å²	180	140 Å²	140	78%	0.783	78%	0.779	S	S	*	*				61	120.2	59.8	-77.8	-161.1	170.2	-165	0	116.4
743	I	32	Very low	30.3	Very low	153 Å²	153	138.6 Å²	138.6	79%	0.785	77%	0.772	S	S	*	*				-170.5	105.4	116.1	-90.9	152.5	0	0	0	108.9
744	D	30.3	Very low	30.5	Very low	130 Å²	130	139.8 Å²	139.8	70%	0.695	77%	0.772	S	S	*	*			trans	35.9	133.3	141.4	-46.3	-24.1	0	0	0	123.4
745	P	32.3	Very low	30.2	Very low	122 Å²	122	136.8 Å²	136.8	79%	0.792	77%	0.765	S	S	*	*			trans	-108.2	165.4	170.4	41	-33.5	0	0	0	114.6
746	I	32.2	Very low	30.1	Very low	166 Å²	166	134 Å²	134	85%	0.851	76%	0.762	S	S	*	*			trans	-144.4	151.2	171.8	-61.3	178	0	0	0	107
747	Q	30	Very low	30.1	Very low	168 Å²	168	136.1 Å²	136.1	79%	0.785	77%	0.767	S	S	*	*			cis	-179.6	170.9	-40.3	-126.3	-179.8	-5.7	0	0	106.1
748	S	32.8	Very low	29.9	Very low	115 Å²	115	136.4 Å²	136.4	80%	0.804	77%	0.769	S	S	*	*			trans	63.2	124.8	-173.3	75.8	0	0	0	0	114.6
749	A	29.2	Very low	29.9	Very low	95 Å²	95	137.2 Å²	137.2	79%	0.785	77%	0.774	S	S	*	*			cis	67.9	114	-0.3	0	0	0	0	0	118.1
750	V	30.7	Very low	29.6	Very low	140 Å²	140	137.8 Å²	137.8	85%	0.848	78%	0.776	S	S	*	*			trans	-154.8	138.3	145.4	140.2	0	0	0	0	107.3
751	N	26.7	Very low	29.6	Very low	145 Å²	145	138 Å²	138	78%	0.775	78%	0.779	S	S	*	*			trans	-89.8	176	174.6	-56	-49.3	0	0	0	109.6
752	T	30.2	Very low	29.4	Very low	133 Å²	133	137.7 Å²	137.7	82%	0.816	78%	0.777	S	S	*	*				-179.5	154.7	76.8	-57.6	0	0	0	0	110.4
753	S	25.3	Very low	29.4	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	78%	0.784	S	S	*	*			trans	-85.1	148.5	-178.2	54.2	0	0	0	0	115.5
754	Q	31	Very low	29.2	Very low	186 Å²	186	136.1 Å²	136.1	87%	0.869	78%	0.783	S	S	*	*			trans	169.5	156.7	143.8	-96	158	17	0	0	109.2
755	S	26.3	Very low	28.9	Very low	99 Å²	99	140.4 Å²	140.4	69%	0.692	79%	0.789	S	S	*	*			cis	-176.9	134.1	-38.9	48.2	0	0	0	0	108.4
756	A	25.7	Very low	28.6	Very low	89 Å²	89	143.9 Å²	143.9	74%	0.736	79%	0.792	S	S	*	*			trans	52.4	115.3	166.4	0	0	0	0	0	119.5
757	H	33.1	Very low	28.3	Very low	177 Å²	177	144.1 Å²	144.1	82%	0.819	79%	0.789	S	S	*	*				-164.3	161.1	99.9	-111	-77.2	0	0	0	113
758	N	27.5	Very low	28.2	Very low	127 Å²	127	145.1 Å²	145.1	68%	0.679	79%	0.794	S	S	*	*			trans	-59.8	147.3	-173.6	-41.2	-19.1	0	0	0	114
759	N	31	Very low	27.9	Very low	151 Å²	151	144.6 Å²	144.6	81%	0.807	79%	0.791	S	S	*	*				-167.9	166	99.5	-90.2	-10.6	0	0	0	110.6
760	D	26.5	Very low	27.9	Very low	152 Å²	152	142.9 Å²	142.9	81%	0.813	77%	0.771	S	S	*	*			trans	-64.9	147.2	-176.7	-51.4	-91.3	0	0	0	113.2
761	D	30.1	Very low	28	Very low	151 Å²	151	142.6 Å²	142.6	81%	0.807	76%	0.764	S	S	*	*				-153.6	159.8	117.7	-136	-34.3	0	0	0	113.3
762	T	26.8	Very low	28.2	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	75%	0.745	S	S	*	*			trans	-82.1	127.3	-162.7	49.2	0	0	0	0	114.6
763	L	28	Very low	28.2	Very low	176 Å²	176	136.2 Å²	136.2	92%	0.921	73%	0.727	S	S	*	*			trans	-113	100	164.3	-97.7	168.8	0	0	0	110.7	R765	L763-R765 PolarHBondContact O-N 3Å
764	V	26.7	Very low	28.3	Very low	125 Å²	125	137.5 Å²	137.5	76%	0.758	73%	0.725	S	S	*	*			trans	-68.6	111.1	-175.7	177.9	0	0	0	0	111	K766	V764-K766 PolarHBondContact O-N 2.68Å
765	R	25.2	Very low	28.1	Very low	220 Å²	220	132.1 Å²	132.1	83%	0.83	70%	0.702	S	S	*	*			trans	-65.7	121.9	159.8	-79.7	-173.7	173.8	-177.1	-1.2	109	L763 E767	L763-R765 PolarHBondContact O-N 3Å; R765-E767 PolarHBondContact O-N 3.37Å; R765-E767 VanDerWaalsContact O-N 3.13Å
766	K	25.2	Very low	28.1	Very low	195 Å²	195	134.6 Å²	134.6	85%	0.848	71%	0.707	S	S	*	*			trans	-85.9	80.5	179.4	-155.7	-179.7	-172.1	-174.3	0	109.4	V764 E768	V764-K766 PolarHBondContact O-N 2.68Å; K766-E768 PolarHBondContact O-N 2.98Å
767	E	26	Very low	28.2	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	70%	0.701	S	S	*	*			trans	-66.5	112.8	175.8	-64.5	-173.4	155	0	0	110.1	R765 S769	R765-E767 PolarHBondContact O-N 3.37Å; R765-E767 VanDerWaalsContact O-N 3.13Å; E767-S769 PolarHBondContact O-N 2.94Å
768	E	28.2	Very low	27.9	Very low	188 Å²	188	133.8 Å²	133.8	88%	0.879	70%	0.701	S	S	*	*			trans	-73.2	111.5	170.6	-65.9	-148.5	138.1	0	0	109.5	K766	K766-E768 PolarHBondContact O-N 2.98Å
769	S	25.8	Very low	27.9	Very low	105 Å²	105	136.2 Å²	136.2	73%	0.734	70%	0.702	S	S	*	*			trans	-75.3	131.3	-174.9	42.6	0	0	0	0	111.7	E767 L771	E767-S769 PolarHBondContact O-N 2.94Å; S769-L771 PolarHBondContact O-N 2.83Å
770	P	29.3	Very low	27.7	Very low	58 Å²	58	137 Å²	137	38%	0.377	71%	0.707	S	S	.	*			trans	-66.6	131.5	-174.1	25.8	-35.8	0	0	0	112.4	P597 I772	P597-P770 HydrophobicContact CB-CB 3.95Å; P597-P770 HydrophobicContact CB-CG 3.83Å; P597-P770 HydrophobicContact CG-CB 4.04Å; P597-P770 HydrophobicContact CG-CG 3.35Å; P770-I772 PolarHBondContact O-N 3.23Å
771	L	34	Very low	27.6	Very low	134 Å²	134	133 Å²	133	70%	0.702	70%	0.701	S	S	*	*			trans	-74.5	113.8	-176.3	-73.2	165.6	0	0	0	111.9	S713 S769	S713-L771 PolarHBondContact N-O 3.35Å; S769-L771 PolarHBondContact O-N 2.83Å
772	I	31.5	Very low	27.5	Very low	75 Å²	75	134 Å²	134	39%	0.385	70%	0.704	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.3	136.4	162.6	-59.1	176	0	0	0	108.2	F594 P597 I711 P770	F594-I772 HydrophobicContact CB-CD1 4.34Å; P597-I772 HydrophobicContact CB-CD1 4.19Å; P597-I772 HydrophobicContact CB-CG1 4.12Å; I711-I772 WeakPolarHBondContact O-CA 3.23Å; P770-I772 PolarHBondContact O-N 3.23Å
773	T	29.1	Very low	27.5	Very low	70 Å²	70	132.7 Å²	132.7	43%	0.429	70%	0.7	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.9	113.6	174.2	-61	0	0	0	0	110.8	I711 L775	I711-T773 PolarHBondContact N-O 2.78Å; I711-T773 PolarHBondContact O-N 3.1Å; T773-L775 HydrophobicContact CG2-CD2 4.2Å; T773-L775 HydrophobicContact CG2-CG 4.45Å
774	I	27.7	Very low	27.4	Very low	123 Å²	123	130.1 Å²	130.1	63%	0.631	68%	0.684	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.9	134.5	173.1	-55.6	175.5	0	0	0	108.4	N776	I774-N776 WeakPolarHBondContact CG2-OD1 3.16Å
775	L	26.8	Very low	27.3	Very low	74 Å²	74	128 Å²	128	39%	0.387	67%	0.668	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.1	89.7	178.8	-67.6	172.9	0	0	0	110	R709 T773 E777	R709-L775 HydrophobicContact CG-CB 3.89Å; R709-L775 HydrophobicContact CG-CD1 4.28Å; R709-L775 PolarHBondContact O-N 3Å; T773-L775 HydrophobicContact CG2-CD2 4.2Å; T773-L775 HydrophobicContact CG2-CG 4.45Å; L775-E777 PolarHBondContact O-N 2.75Å
776	N	25.9	Very low	27.4	Very low	150 Å²	150	124.1 Å²	124.1	80%	0.802	66%	0.657	S	S	*	*			trans	-75.2	113.3	174.2	-72.4	5.6	0	0	0	110.5	I774	I774-N776 WeakPolarHBondContact CG2-OD1 3.16Å
777	E	27.6	Very low	27.3	Very low	132 Å²	132	119.7 Å²	119.7	62%	0.617	63%	0.634	S	S	*	*			trans	-125.4	115.9	161.1	-82.3	163.9	-163.6	0	0	106.3	R709 L775	R709-E777 IonicContact CZ-OE1 2.76Å; R709-E777 IonicContact CZ-OE2 3.31Å; R709-E777 IonicContact NH1-OE1 3.75Å; R709-E777 IonicContact NH1-OE2 2.98Å; R709-E777 PolarHBondContact NH1-OE2 2.91Å; R709-E777 IonicContact NH2-OE1 2.72Å; R709-E777 PolarHBondContact NH2-OE1 3.06Å; R709-E777 IonicContact NH2-OE2 3.55Å; R709-E777 PolarHBondContact NH2-OE2 2.84Å; R709-E777 VanDerWaalsContact NH2-OE2 3.12Å; L775-E777 PolarHBondContact O-N 2.75Å
778	S	27.9	Very low	27.3	Very low	117 Å²	117	119.8 Å²	119.8	82%	0.818	63%	0.633	S	S	*	*			trans	-75.8	135.9	-179.7	46.5	0	0	0	0	110.7	D780	S778-D780 PolarHBondContact O-N 2.96Å
779	Y	26	Very low	27.1	Very low	178 Å²	178	117.5 Å²	117.5	70%	0.698	62%	0.622	S	S	*	*			trans	-69.9	109.2	175.4	-90.4	-101.1	0	0	0	111.4	C706	C706-Y779 WeakPolarHBondContact O-CE2 3.38Å; C706-Y779 PolarHBondContact O-OH 2.9Å
780	D	27	Very low	27	Very low	169 Å²	169	116.9 Å²	116.9	90%	0.904	62%	0.616	S	S	*	*			trans	-122.8	138.4	140.2	-98.4	-49.2	0	0	0	107.4	S778	S778-D780 PolarHBondContact O-N 2.96Å
781	G	24.5	Very low	26.8	Very low	67 Å²	67	121 Å²	121	69%	0.691	63%	0.628	S	S	*	*			trans	-95.9	136.5	-159.7	0	0	0	0	0	115.2
782	I	27.7	Very low	26.4	Very low	171 Å²	171	123 Å²	123	88%	0.877	63%	0.627	S	S	*	*			trans	-161.4	159.6	149.3	-104.2	151.5	0	0	0	110.3
783	S	26.8	Very low	26.1	Very low	88 Å²	88	121.7 Å²	121.7	62%	0.615	62%	0.624	S	S	*	*			trans	-75.3	168.1	179.6	46.4	0	0	0	0	113.3
784	E	26	Very low	25.9	Very low	123 Å²	123	120.8 Å²	120.8	58%	0.575	62%	0.621	S	S	*	*			cis	-155.9	-173.6	-10.6	-124.5	-167.4	-134.6	0	0	110.6
785	L	25.6	Very low	25.8	Very low	81 Å²	81	116.6 Å²	116.6	42%	0.424	60%	0.603	S	S	.	*			trans	52.5	105.3	151.9	-75.9	160.3	0	0	0	120.9	E275 M279	E275-L785 HydrophobicContact CB-CD1 4.21Å; M279-L785 HydrophobicContact CE-CB 4.48Å; M279-L785 HydrophobicContact CG-CD1 4.44Å
786	K	27.2	Very low	25.8	Very low	138 Å²	138	117.1 Å²	117.1	60%	0.6	61%	0.605	S	S	*	*				-151	131	116.2	-103.1	-172.8	-171	-166.9	0	111	M279 D358	M279-K786 HydrophobicContact CE-CG 3.74Å; D358-K786 IonicContact OD1-NZ 3.13Å; D358-K786 PolarHBondContact OD1-NZ 3.3Å; D358-K786 IonicContact OD2-NZ 2.67Å; D358-K786 PolarHBondContact OD2-NZ 3.21Å
787	R	22.7	Very low	25.7	Very low	101 Å²	101	116 Å²	116	38%	0.381	60%	0.598	S	S	.	*			trans	-128.1	157.7	169.9	-138.8	-179.8	-165.7	-125.8	9.6	106.3	F459 D460 I463	F459-R787 WeakPolarHBondContact O-CD 3.35Å; F459-R787 PolarHBondContact O-NE 3.35Å; F459-R787 VanDerWaalsContact O-NE 3.11Å; D460-R787 VanDerWaalsContact O-CZ 3.22Å; D460-R787 PolarHBondContact O-NE 3.13Å; D460-R787 PolarHBondContact O-NH2 2.96Å; I463-R787 PolarHBondContact O-NH2 3.41Å; I463-R787 VanDerWaalsContact O-NH2 3.13Å
788	F	26.3	Very low	25.5	Very low	173 Å²	173	117.9 Å²	117.9	76%	0.759	61%	0.607	S	S	*	*			trans	69	139.8	-167.1	-56.4	-88.3	0	0	0	112.9
789	E	24.1	Very low	25.4	Very low	141 Å²	141	119.3 Å²	119.3	66%	0.659	60%	0.603	S	S	*	*			cis	-135.6	166.2	2.7	-106.2	141.3	-100.8	0	0	110.2	K283	K283-E789 IonicContact NZ-OE1 2.96Å; K283-E789 PolarHBondContact NZ-OE1 2.84Å
790	P	23	Very low	25.3	Very low	92 Å²	92	117.4 Å²	117.4	60%	0.597	61%	0.605	S	S	*	*			trans	-91.1	169.6	-176	37	-36	0	0	0	114.2
791	K	25.2	Very low	25.4	Very low	145 Å²	145	115 Å²	115	63%	0.63	60%	0.598	S	S	*	*			trans	80.5	148.7	174.9	-49.3	158	152	-158.2	0	113.8
792	Y	25.4	Very low	25.4	Very low	175 Å²	175	120.3 Å²	120.3	69%	0.686	61%	0.605	S	S	*	*			cis	-134.5	159	-4.1	-65.1	-87.1	0	0	0	110.6
793	S	25.1	Very low	25.4	Very low	47 Å²	47	119 Å²	119	33%	0.329	60%	0.599	S	S	.	*			trans	-156.7	79.8	149.2	73.9	0	0	0	0	111.4	N631 S632	N631-S793 CarbonylContact C-O 3.51Å; N631-S793 CarbonylContact O-C 3.58Å; S632-S793 WeakPolarHBondContact CB-OG 3.03Å; S632-S793 PolarHBondContact OG-OG 2.7Å; S632-S793 VanDerWaalsContact OG-OG 3.09Å
794	S	25.7	Very low	25.3	Very low	51 Å²	51	121.1 Å²	121.1	36%	0.357	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-59.7	148.1	176.8	65.9	0	0	0	0	111.4	R85	R85-S794 WeakPolarHBondContact CD-OG 3.35Å; R85-S794 PolarHBondContact NH1-OG 2.87Å
795	S	25.8	Very low	25.2	Very low	36 Å²	36	121.4 Å²	121.4	25%	0.252	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-50.7	139	177.1	41.3	0	0	0	0	112.4	N631 I797	N631-S795 PolarHBondContact ND2-N 3.42Å; N631-S795 PolarHBondContact ND2-OG 2.87Å; N631-S795 WeakPolarHBondContact OD1-CB 3.48Å; S795-I797 PolarHBondContact O-N 2.76Å
796	I	25.9	Very low	25.1	Very low	85 Å²	85	122.8 Å²	122.8	44%	0.436	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-67.2	120.5	157.4	-64.7	172.1	0	0	0	106.1	E798	I796-E798 HydrophobicContact CG2-CG 3.97Å
797	I	25.3	Very low	25	Very low	126 Å²	126	124.2 Å²	124.2	65%	0.646	64%	0.635	S	S	*	*			trans	-85.1	114.2	158.8	-60.7	176.7	0	0	0	105.3	S795 I799	S795-I797 PolarHBondContact O-N 2.76Å; I797-I799 VanDerWaalsContact C-N 3.29Å; I797-I799 HydrophobicContact CG2-CG1 3.9Å; I797-I799 PolarHBondContact O-N 3.03Å
798	E	23.2	Very low	25.1	Very low	172 Å²	172	124.5 Å²	124.5	80%	0.804	65%	0.648	S	S	*	*			trans	-75.4	88.2	168.3	-70.3	-171	147.3	0	0	108.2	I796 L800	I796-E798 HydrophobicContact CG2-CG 3.97Å; E798-L800 PolarHBondContact O-N 2.84Å
799	I	25.7	Very low	25.2	Very low	146 Å²	146	123.1 Å²	123.1	75%	0.749	65%	0.648	S	S	*	*			trans	-73.2	106	159.2	-57.7	-178.6	0	0	0	105.7	I797	I797-I799 VanDerWaalsContact C-N 3.29Å; I797-I799 HydrophobicContact CG2-CG1 3.9Å; I797-I799 PolarHBondContact O-N 3.03Å
800	L	23.8	Very low	25.2	Very low	139 Å²	139	123.9 Å²	123.9	73%	0.728	65%	0.654	S	S	*	*			trans	-56.6	130.3	170.8	-75.9	163.2	0	0	0	109	E798 E802	E798-L800 PolarHBondContact O-N 2.84Å; L800-E802 VanDerWaalsContact C-N 3.28Å; L800-E802 PolarHBondContact O-N 2.91Å
801	P	28.2	Very low	25.5	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	66%	0.662	S	S	*	*			trans	-74.5	87.1	168.5	30.9	-32.3	0	0	0	108.9	N803	P801-N803 PolarHBondContact O-N 3.18Å
802	E	24.3	Very low	25.8	Very low	179 Å²	179	128.2 Å²	128.2	84%	0.836	67%	0.67	S	S	*	*			trans	-62.4	83.2	154.2	-79.7	172.9	-166.3	0	0	108.4	L800	L800-E802 VanDerWaalsContact C-N 3.28Å; L800-E802 PolarHBondContact O-N 2.91Å
803	N	28.6	Very low	25.8	Very low	142 Å²	142	124.2 Å²	124.2	76%	0.759	67%	0.673	S	S	*	*			trans	-152.8	95.8	163.9	-100.8	-51.3	0	0	0	109.3	P801 C805	P801-N803 PolarHBondContact O-N 3.18Å; N803-C805 VanDerWaalsContact C-N 3.31Å; N803-C805 PolarHBondContact O-N 2.96Å
804	Q	23.9	Very low	26.1	Very low	134 Å²	134	128.4 Å²	128.4	63%	0.626	70%	0.697	S	S	*	*			trans	-68.3	85.8	167	-71.5	-177	-6.5	0	0	109.9	I806	Q804-I806 HydrophobicContact CB-CD1 4.06Å; Q804-I806 HydrophobicContact CB-CG1 4.04Å; Q804-I806 PolarHBondContact O-N 3.26Å
805	C	23.7	Very low	26.3	Very low	128 Å²	128	129.9 Å²	129.9	87%	0.865	71%	0.712	S	S	*	*			trans	-72.4	81.3	159.6	-77.7	0	0	0	0	108.8	N803 D807	N803-C805 VanDerWaalsContact C-N 3.31Å; N803-C805 PolarHBondContact O-N 2.96Å; C805-D807 PolarHBondContact O-N 2.88Å
806	I	24.6	Very low	26.3	Very low	110 Å²	110	135.2 Å²	135.2	56%	0.564	74%	0.736	S	S	*	*			trans	-71.1	119.6	177.8	-76.4	160.8	0	0	0	109.9	Q804 V808	Q804-I806 HydrophobicContact CB-CD1 4.06Å; Q804-I806 HydrophobicContact CB-CG1 4.04Å; Q804-I806 PolarHBondContact O-N 3.26Å; I806-V808 VanDerWaalsContact C-N 3.26Å; I806-V808 HydrophobicContact CG2-CB 3.73Å; I806-V808 HydrophobicContact CG2-CG2 3.28Å; I806-V808 PolarHBondContact O-N 3.33Å
807	D	24.9	Very low	26.3	Very low	168 Å²	168	139.6 Å²	139.6	90%	0.898	75%	0.752	S	S	*	*			trans	-75.4	76.3	166.5	-122.8	-32.4	0	0	0	109.5	C805	C805-D807 PolarHBondContact O-N 2.88Å
808	V	24.1	Very low	26.6	Very low	108 Å²	108	139.8 Å²	139.8	66%	0.655	75%	0.751	S	S	*	*			trans	-104.7	89	168.9	161.7	0	0	0	0	109.2	I806 M810	I806-V808 VanDerWaalsContact C-N 3.26Å; I806-V808 HydrophobicContact CG2-CB 3.73Å; I806-V808 HydrophobicContact CG2-CG2 3.28Å; I806-V808 PolarHBondContact O-N 3.33Å; V808-M810 HydrophobicContact CG1-CG 4.48Å
809	N	27.9	Very low	26.8	Very low	143 Å²	143	136.7 Å²	136.7	77%	0.765	74%	0.743	S	S	*	*			trans	-82.4	110.6	162.1	-163.9	-19.8	0	0	0	108.3	K811	N809-K811 PolarHBondContact O-N 3.3Å
810	M	24.7	Very low	26.8	Very low	158 Å²	158	136.2 Å²	136.2	78%	0.778	74%	0.741	S	S	*	*			trans	-65.4	127.1	-175.7	-68.4	176.8	65.9	0	0	112.2	V808	V808-M810 HydrophobicContact CG1-CG 4.48Å
811	K	30.4	Very low	27.1	Very low	180 Å²	180	136.3 Å²	136.3	78%	0.783	74%	0.741	S	S	*	*			trans	-159.3	128	147.6	-107.3	137.8	-169.5	172.5	0	114.4	N809	N809-K811 PolarHBondContact O-N 3.3Å
812	N	30.8	Very low	27.1	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	73%	0.734	S	S	*	*			trans	62	82.3	145.5	-57	3.2	0	0	0	119.5
813	A	25.6	Very low	27.3	Very low	92 Å²	92	135.1 Å²	135.1	76%	0.76	72%	0.724	S	S	*	*				50.6	144.9	111.3	0	0	0	0	0	122.7
814	T	31.2	Very low	27.2	Very low	135 Å²	135	134.2 Å²	134.2	83%	0.828	72%	0.719	S	S	*	*			trans	70.9	89.5	153.6	39.7	0	0	0	0	120.5
815	A	29	Very low	27.5	Very low	81 Å²	81	133.7 Å²	133.7	67%	0.669	72%	0.72	S	S	*	*				94.1	114	107.1	0	0	0	0	0	122
816	I	26.4	Very low	27.7	Very low	149 Å²	149	132.9 Å²	132.9	76%	0.764	71%	0.711	S	S	*	*				79.3	108.1	124.6	-66.3	173.8	0	0	0	119.3
817	K	26.8	Very low	27.8	Very low	176 Å²	176	134.7 Å²	134.7	77%	0.765	72%	0.72	S	S	*	*			trans	68.3	151.7	140.5	-77.7	-175.4	168.3	-145.3	0	119.6
818	Q	30.2	Very low	28	Very low	131 Å²	131	135 Å²	135	61%	0.612	72%	0.716	S	S	*	*			cis	-160.1	139.1	-14.2	-138.1	176.4	-64.6	0	0	111.6
819	T	27.8	Very low	28.1	Very low	106 Å²	106	135 Å²	135	65%	0.65	72%	0.721	S	S	*	*			trans	58.8	151.6	144.4	40.8	0	0	0	0	124.7
820	I	26.8	Very low	28.4	Very low	137 Å²	137	133.1 Å²	133.1	70%	0.703	72%	0.716	S	S	*	*			trans	102	107	133.7	-90.8	159.4	0	0	0	120.7
821	L	28.3	Very low	28.6	Very low	140 Å²	140	134.1 Å²	134.1	73%	0.733	72%	0.716	S	S	*	*			trans	64.6	152.4	140.5	-50.8	179	0	0	0	119.7
822	K	28.3	Very low	28.4	Very low	142 Å²	142	135.7 Å²	135.7	62%	0.617	72%	0.717	S	S	*	*			cis	-163.4	151.4	-15	-123.8	177.7	174	-123.6	0	111.9
823	E	28.8	Very low	28.2	Very low	131 Å²	131	134.6 Å²	134.6	61%	0.612	71%	0.712	S	S	*	*			trans	52	143.6	136.4	-80.3	160.9	-162	0	0	125.1
824	N	28.2	Very low	28.2	Very low	123 Å²	123	137.3 Å²	137.3	66%	0.658	71%	0.712	S	S	*	*			trans	71.7	151.9	143.7	-69.6	32.2	0	0	0	119.2
825	D	30.2	Very low	28.2	Very low	123 Å²	123	136.9 Å²	136.9	66%	0.658	71%	0.711	S	S	*	*			cis	-157.6	133.3	-4.9	-108.5	-17.8	0	0	0	108.5
826	V	26.7	Very low	28.2	Very low	111 Å²	111	136.9 Å²	136.9	67%	0.673	72%	0.719	S	S	*	*				83.5	134	94.1	166.7	0	0	0	0	116.7
827	I	26.5	Very low	28	Very low	147 Å²	147	137.8 Å²	137.8	75%	0.754	73%	0.725	S	S	*	*			trans	71.3	147.6	164.9	-80.7	166.1	0	0	0	116.2
828	E	28.5	Very low	27.9	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	72%	0.723	S	S	*	*			cis	-134.6	-144.9	5.6	-147.7	159.4	-136.4	0	0	114.9
829	S	26.4	Very low	27.6	Very low	107 Å²	107	137 Å²	137	75%	0.748	73%	0.729	S	S	*	*			trans	-144.1	-164.5	-149.9	81.1	0	0	0	0	115
830	P	35.6	Very low	27.4	Very low	103 Å²	103	140.7 Å²	140.7	67%	0.669	74%	0.736	S	S	*	*			trans	-121.5	178.9	-130.9	43.9	-29.2	0	0	0	116.7
831	K	28.2	Very low	27.3	Very low	179 Å²	179	144 Å²	144	78%	0.778	75%	0.745	S	S	*	*			trans	-172.2	137.4	153.9	-96.4	131.6	-160.8	166.1	0	114.4
832	R	26	Very low	27.1	Very low	213 Å²	213	141.8 Å²	141.8	80%	0.804	74%	0.741	S	S	*	*				49.8	149.1	125.1	-59.2	-176.1	-176.7	165.1	-0.6	120.2
833	N	26.5	Very low	27.1	Very low	125 Å²	125	145.7 Å²	145.7	67%	0.668	75%	0.753	S	S	*	*			cis	-168.5	131.6	0.8	-118.6	15.1	0	0	0	114.7
834	I	26.9	Very low	26.9	Very low	149 Å²	149	146.2 Å²	146.2	76%	0.764	76%	0.76	S	S	*	*			trans	56.5	-176.8	148.7	-6.3	-177.7	0	0	0	118.5
835	P	30.8	Very low	27	Very low	125 Å²	125	150.6 Å²	150.6	81%	0.812	77%	0.769	S	S	*	*				-121.9	165.2	-119.2	42.7	-25.9	0	0	0	117.2
836	G	28.6	Very low	26.8	Very low	81 Å²	81	151.7 Å²	151.7	84%	0.835	78%	0.775	S	S	*	*			trans	-131.1	138.4	171.2	0	0	0	0	0	112.5
837	L	23	Very low	26.9	Very low	169 Å²	169	152.8 Å²	152.8	89%	0.885	78%	0.782	S	S	*	*			trans	-109.2	171.8	-175.6	-122.4	162.3	0	0	0	110.5
838	I	24.5	Very low	26.8	Very low	143 Å²	143	151.7 Å²	151.7	73%	0.733	78%	0.783	S	S	*	*			trans	92.8	107.1	159.6	-65	152.6	0	0	0	119.6
839	M	23.1	Very low	26.8	Very low	147 Å²	147	148.7 Å²	148.7	72%	0.724	78%	0.781	S	S	*	*			trans	62.5	121.5	136.9	-65.2	175.4	65.1	0	0	124.3
840	K	23.8	Very low	26.7	Very low	183 Å²	183	150.8 Å²	150.8	80%	0.796	78%	0.784	S	S	*	*				46.6	116.7	129.6	-58.6	-174.8	-179.3	-176.2	0	119.4
841	K	25.2	Very low	26.4	Very low	207 Å²	207	153.3 Å²	153.3	90%	0.9	79%	0.79	S	S	*	*				-160	159.3	105.7	-109.4	170.1	-176	-179.2	0	112.9
842	S	23.3	Very low	26.2	Very low	93 Å²	93	150.3 Å²	150.3	65%	0.65	79%	0.792	S	S	*	*			trans	-75.9	150.6	177.5	48	0	0	0	0	112.8
843	Y	28.6	Very low	26.4	Very low	224 Å²	224	145.1 Å²	145.1	88%	0.878	79%	0.788	S	S	*	*			trans	-149.3	117.5	145.3	-93	-70.3	0	0	0	109.6
844	D	24.6	Very low	26.3	Very low	142 Å²	142	146.9 Å²	146.9	76%	0.759	79%	0.793	S	S	*	*			trans	-80.8	155.4	160.8	-56.6	-69.3	0	0	0	109.4
845	Y	30.6	Very low	26.3	Very low	215 Å²	215	146.2 Å²	146.2	84%	0.843	80%	0.795	S	S	*	*			trans	-157	110.6	149.5	-116.6	-73.2	0	0	0	110.3
846	D	24.5	Very low	26.1	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	79%	0.786	S	S	*	*			trans	-66.9	143.5	161.7	-77.9	-59.2	0	0	0	110
847	T	29.5	Very low	26	Very low	133 Å²	133	149.8 Å²	149.8	82%	0.816	79%	0.787	S	S	*	*			trans	-147.8	109	147.6	-36	0	0	0	0	110
848	T	23.7	Very low	26.1	Very low	124 Å²	124	149.1 Å²	149.1	76%	0.761	78%	0.776	S	S	*	*			trans	-77.6	146.7	169.8	47.8	0	0	0	0	110.1
849	S	30.2	Very low	26.3	Very low	113 Å²	113	148.6 Å²	148.6	79%	0.79	78%	0.775	S	S	*	*			trans	-145.3	118.1	159.1	52.9	0	0	0	0	109.7
850	N	24.3	Very low	26.3	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	78%	0.782	S	S	*	*			trans	-85	128	174.3	-67.3	-42.9	0	0	0	109
851	I	28.9	Very low	26.5	Very low	155 Å²	155	150 Å²	150	80%	0.795	78%	0.779	S	S	*	*			trans	-128.1	96.5	156.5	-59.2	-177	0	0	0	107.7
852	S	23	Very low	26.4	Very low	117 Å²	117	146.4 Å²	146.4	82%	0.818	78%	0.775	S	S	*	*			trans	-83.5	134.3	166	-53.3	0	0	0	0	109.2
853	S	30.9	Very low	26.5	Very low	104 Å²	104	147.9 Å²	147.9	73%	0.727	78%	0.779	S	S	*	*			trans	-141.9	112.1	163.5	44.6	0	0	0	0	110.7
854	E	24.3	Very low	26.2	Very low	162 Å²	162	144.1 Å²	144.1	76%	0.757	78%	0.775	S	S	*	*			trans	-74.8	130.7	169.4	-63.5	171.5	119	0	0	109.3	K31	K31-E854 IonicContact NZ-OE1 2.93Å; K31-E854 PolarHBondContact NZ-OE1 3Å
855	V	26.6	Very low	26.3	Very low	135 Å²	135	145.4 Å²	145.4	82%	0.818	78%	0.78	S	S	*	*			trans	-141.9	112.7	157.2	-178	0	0	0	0	110.4
856	D	26.5	Very low	26	Very low	116 Å²	116	140.1 Å²	140.1	62%	0.62	77%	0.774	S	S	*	*			trans	34.2	110.4	155.7	-78.3	25	0	0	0	122.4	K858	D856-K858 IonicContact OD2-NZ 3.27Å; D856-K858 PolarHBondContact OD2-NZ 3.46Å
857	I	26	Very low	26.1	Very low	165 Å²	165	138.4 Å²	138.4	85%	0.846	77%	0.774	S	S	*	*			trans	-57	130.9	141.2	-59.9	160.8	0	0	0	109.7
858	K	27.2	Very low	26	Very low	155 Å²	155	137.5 Å²	137.5	67%	0.674	77%	0.773	S	S	*	*			trans	-156.1	145.3	150.4	-102.3	126	-162.2	173.4	0	113.8	D856	D856-K858 IonicContact OD2-NZ 3.27Å; D856-K858 PolarHBondContact OD2-NZ 3.46Å
859	N	28.1	Very low	26.3	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	78%	0.777	S	S	*	*			trans	63	82.9	157.4	-56.5	-4.8	0	0	0	118.3
860	Y	22.6	Very low	26.2	Very low	221 Å²	221	144.8 Å²	144.8	87%	0.867	78%	0.783	S	S	*	*				-49.6	139	126.9	-92.3	-111.8	0	0	0	109.1
861	N	28.6	Very low	26.4	Very low	139 Å²	139	146.2 Å²	146.2	74%	0.743	79%	0.785	S	S	*	*			trans	-144.4	112.4	159.3	-112.6	-24.4	0	0	0	110.3	V863	N861-V863 PolarHBondContact O-N 3.12Å
862	T	23.1	Very low	26.4	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	79%	0.787	S	S	*	*			trans	-75.5	114.9	-179.4	-28.2	0	0	0	0	109.6
863	V	24.8	Very low	26.6	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	79%	0.788	S	S	*	*			trans	-130	107.3	172.4	-178.1	0	0	0	0	109.8	N861	N861-V863 PolarHBondContact O-N 3.12Å
864	N	23.3	Very low	26.4	Very low	146 Å²	146	147.7 Å²	147.7	78%	0.781	78%	0.781	S	S	*	*			trans	-64.9	143.2	162.7	-66.6	-55	0	0	0	109.6
865	I	25.4	Very low	26.8	Very low	168 Å²	168	145.7 Å²	145.7	86%	0.862	77%	0.774	S	S	*	*			trans	-164.3	156.9	139.6	-104.9	150.8	0	0	0	111.6
866	S	25	Very low	26.8	Very low	105 Å²	105	145.3 Å²	145.3	73%	0.734	77%	0.772	S	S	*	*			trans	-81.9	150.4	-158.9	52.9	0	0	0	0	117.5
867	S	25.4	Very low	27.1	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	78%	0.78	S	S	*	*			trans	-42.7	140.3	163.2	56.7	0	0	0	0	118.9
868	S	28	Very low	27.4	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	76%	0.757	S	S	*	*				-165.3	135.7	124.2	60.1	0	0	0	0	108.8
869	K	30	Very low	27.8	Very low	194 Å²	194	141.9 Å²	141.9	84%	0.843	76%	0.755	S	S	*	*			cis	83.4	75.6	43.1	-83.1	-163.5	173.2	-179.1	0	116.9
870	Q	29	Very low	28.2	Very low	195 Å²	195	141.8 Å²	141.8	91%	0.911	75%	0.754	S	S	*	*			trans	-171.4	143.7	135	-100.5	155	72.1	0	0	107.1
871	Q	28.3	Very low	28.8	Very low	183 Å²	183	134.8 Å²	134.8	86%	0.855	74%	0.737	S	S	*	*			cis	-124.1	164.3	28.5	-62.4	169.7	-27.1	0	0	113.5
872	T	27.9	Very low	29.1	Very low	136 Å²	136	132.9 Å²	132.9	83%	0.834	73%	0.726	S	S	*	*			trans	-147.7	120.3	173.8	50.5	0	0	0	0	111.3
873	T	28.4	Very low	29.7	Very low	137 Å²	137	136.1 Å²	136.1	84%	0.84	72%	0.724	S	S	*	*			trans	-152.8	144.7	169.3	30.1	0	0	0	0	110.6
874	K	27	Very low	30.1	Very low	133 Å²	133	137.4 Å²	137.4	58%	0.578	72%	0.722	S	S	*	*	S	Bend	trans	67	173.3	-163.3	-63.6	-172.7	179.3	-178	0	113.7	D726	D726-K874 PolarHBondContact O-NZ 3.31Å
875	I	31.1	Very low	30.6	Very low	121 Å²	121	136.8 Å²	136.8	62%	0.621	71%	0.714	S	S	*	*			trans	54	52.1	-170.5	-40.1	-177.9	0	0	0	113.5	E878	I875-E878 WeakPolarHBondContact CA-OE2 2.95Å
876	T	28.2	Very low	31.1	Very low	126 Å²	126	135.4 Å²	135.4	77%	0.773	71%	0.707	S	S	*	*	S	Bend	trans	-130.5	22.5	167.5	8	0	0	0	0	112.4
877	K	31.1	Very low	31.4	Very low	180 Å²	180	136.7 Å²	136.7	78%	0.783	71%	0.706	S	S	*	*	S	Bend	trans	-124.9	-33.8	170.9	-73.4	-171.7	174.2	-177.1	0	113.6	V879 I880	K877-V879 PolarHBondContact O-N 2.89Å; K877-I880 PolarHBondContact O-N 3.48Å
878	E	33.2	Very low	31.6	Very low	77 Å²	77	135.6 Å²	135.6	36%	0.36	69%	0.694	S	S	.	*	H	α-helix	trans	-69.5	-31.9	-175.9	-66	134	112.3	0	0	114.5	I875 I880 S881 L882	I875-E878 WeakPolarHBondContact CA-OE2 2.95Å; E878-I880 PolarHBondContact O-N 3.21Å; E878-I880 VanDerWaalsContact O-N 3.08Å; E878-S881 PolarHBondContact O-N 2.91Å; E878-L882 PolarHBondContact O-N 3.43Å; E878-L882 VanDerWaalsContact O-N 3.11Å
879	V	35.9	Very low	31.7	Very low	107 Å²	107	139 Å²	139	65%	0.648	70%	0.695	S	S	*	*	H	α-helix	trans	-68.2	-8.3	-178.3	-174.9	0	0	0	0	113	K877	K877-V879 PolarHBondContact O-N 2.89Å
880	I	35.5	Very low	31.5	Very low	130 Å²	130	136.3 Å²	136.3	67%	0.667	69%	0.685	S	S	*	*	H	α-helix	trans	-96.9	-35.3	171.3	-64.3	176.6	0	0	0	111	K877 E878 R883	K877-I880 PolarHBondContact O-N 3.48Å; E878-I880 PolarHBondContact O-N 3.21Å; E878-I880 VanDerWaalsContact O-N 3.08Å; I880-R883 PolarHBondContact O-N 3.06Å
881	S	35.6	Very low	31.5	Very low	74 Å²	74	135.8 Å²	135.8	52%	0.517	68%	0.682	S	S	.	*	H	α-helix	trans	-66.1	-42.8	177.4	-156.2	0	0	0	0	112.3	E878 R883 E884	E878-S881 PolarHBondContact O-N 2.91Å; S881-R883 PolarHBondContact O-N 3.27Å; S881-E884 PolarHBondContact O-N 3.23Å
882	L	35	Very low	31.6	Very low	99 Å²	99	133.4 Å²	133.4	52%	0.518	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.6	-0.5	177.9	-70.8	169.5	0	0	0	114.2	E878 I886	E878-L882 PolarHBondContact O-N 3.43Å; E878-L882 VanDerWaalsContact O-N 3.11Å; L882-I886 WeakPolarHBondContact O-CD1 3.13Å
883	R	35.4	Very low	31.6	Very low	198 Å²	198	131.8 Å²	131.8	75%	0.747	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-5.5	176.8	-151.4	173.7	-175.1	-154.3	-3	113.7	I880 S881 N887	I880-R883 PolarHBondContact O-N 3.06Å; S881-R883 PolarHBondContact O-N 3.27Å; R883-N887 PolarHBondContact O-ND2 2.99Å; R883-N887 VanDerWaalsContact O-ND2 3.15Å
884	E	32.9	Very low	31.5	Very low	152 Å²	152	132.8 Å²	132.8	71%	0.71	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-32.8	177.9	-61.3	-167.2	145.4	0	0	112.6	S881 I886 N887	S881-E884 PolarHBondContact O-N 3.23Å; E884-I886 VanDerWaalsContact C-N 3.32Å; E884-I886 PolarHBondContact O-N 3.01Å; E884-N887 PolarHBondContact O-N 3.15Å
885	E	34	Very low	31.6	Very low	133 Å²	133	133.7 Å²	133.7	62%	0.621	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-70.7	-21.7	178.1	-63.9	-157.2	126.3	0	0	114.6	N887	E885-N887 VanDerWaalsContact C-N 3.27Å; E885-N887 PolarHBondContact O-N 2.67Å
886	I	36.8	Very low	31.5	Very low	139 Å²	139	134.8 Å²	134.8	71%	0.713	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-77	-12.6	-178.3	-66	177.4	0	0	0	112.2	L882 E884 V888	L882-I886 WeakPolarHBondContact O-CD1 3.13Å; E884-I886 VanDerWaalsContact C-N 3.32Å; E884-I886 PolarHBondContact O-N 3.01Å; I886-V888 PolarHBondContact O-N 2.63Å
887	N	31.4	Very low	31.5	Very low	131 Å²	131	135.7 Å²	135.7	70%	0.701	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-92.9	20.5	-174.1	-69	-44.1	0	0	0	115.4	R883 E884 E885	R883-N887 PolarHBondContact O-ND2 2.99Å; R883-N887 VanDerWaalsContact O-ND2 3.15Å; E884-N887 PolarHBondContact O-N 3.15Å; E885-N887 VanDerWaalsContact C-N 3.27Å; E885-N887 PolarHBondContact O-N 2.67Å
888	V	30	Very low	31.4	Very low	88 Å²	88	132.7 Å²	132.7	53%	0.533	69%	0.694	S	S	.	*	G	3₁₀ helix	trans	-114.2	-9	-174.4	-173.2	0	0	0	0	114	I886	I886-V888 PolarHBondContact O-N 2.63Å
889	F	28.4	Very low	31.1	Very low	186 Å²	186	138.4 Å²	138.4	82%	0.816	72%	0.721	S	S	*	*	S	Bend	trans	-123.3	46.9	-178.1	-90.2	-81.6	0	0	0	115.2
890	E	27	Very low	30.8	Very low	137 Å²	137	138 Å²	138	64%	0.64	72%	0.723	S	S	*	*			trans	-130.9	87.1	157.5	-80.3	-157.2	129.4	0	0	111.1
891	H	28.9	Very low	30.5	Very low	184 Å²	184	138.9 Å²	138.9	85%	0.852	73%	0.729	S	S	*	*			trans	-169	151.8	156.4	-105.9	-63	0	0	0	111.7
892	I	29	Very low	30.1	Very low	134 Å²	134	145.6 Å²	145.6	69%	0.687	74%	0.744	S	S	*	*			trans	65.6	79.9	-177.8	-46.4	177.5	0	0	0	110.9
893	S	28	Very low	29.7	Very low	102 Å²	102	147 Å²	147	71%	0.713	75%	0.752	S	S	*	*				69.1	134.2	54.2	-43.5	0	0	0	0	113.3
894	D	27.2	Very low	29.5	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	76%	0.755	S	S	*	*			trans	-59.2	139.9	173	-48.6	-96.9	0	0	0	111.5
895	D	29.1	Very low	29.2	Very low	152 Å²	152	142.7 Å²	142.7	81%	0.813	75%	0.75	S	S	*	*			trans	-169.5	165.3	134.1	-118.7	-32.6	0	0	0	113.5
896	N	29.2	Very low	29	Very low	145 Å²	145	145 Å²	145	78%	0.775	76%	0.758	S	S	*	*			trans	84.3	66.8	168.7	-54.4	-70.4	0	0	0	119.6
897	T	27.1	Very low	28.6	Very low	145 Å²	145	149.6 Å²	149.6	89%	0.89	77%	0.766	S	S	*	*			trans	-124	74.8	143.1	55	0	0	0	0	112
898	S	29.9	Very low	28.4	Very low	116 Å²	116	154.5 Å²	154.5	81%	0.811	78%	0.775	S	S	*	*			trans	-169.1	97.7	155.6	37.8	0	0	0	0	112.4	S900	S898-S900 PolarHBondContact O-N 3.4Å
899	Q	27.7	Very low	28.3	Very low	197 Å²	197	158.7 Å²	158.7	92%	0.921	79%	0.793	S	S	*	*			trans	-79.8	112.1	157.8	-74.6	178	-52	0	0	109
900	S	29.8	Very low	28.2	Very low	99 Å²	99	154.7 Å²	154.7	69%	0.692	79%	0.788	S	S	*	*			trans	172.6	142.5	134.1	42.5	0	0	0	0	112.2	S898	S898-S900 PolarHBondContact O-N 3.4Å
901	N	27.5	Very low	28.3	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	79%	0.794	S	S	*	*			trans	38.4	118.2	138.2	-55.2	-15	0	0	0	117.6
902	Y	27.1	Very low	28.3	Very low	216 Å²	216	154.8 Å²	154.8	85%	0.847	79%	0.793	S	S	*	*				-161.5	-174.8	51.7	-152.8	-109.3	0	0	0	113.4
903	N	26.6	Very low	28.3	Very low	127 Å²	127	153.4 Å²	153.4	68%	0.679	80%	0.795	S	S	*	*			trans	-79.6	171.6	-169.4	-79.9	-66.3	0	0	0	116.7
904	Q	31	Very low	28.6	Very low	174 Å²	174	155.1 Å²	155.1	81%	0.813	80%	0.801	S	S	*	*			trans	90.7	75.5	150.4	-77.8	171	22.5	0	0	122.4
905	S	28.3	Very low	28.6	Very low	87 Å²	87	150.7 Å²	150.7	61%	0.608	79%	0.793	S	S	*	*				80.4	142.2	109.6	81.9	0	0	0	0	123.4
906	K	28.8	Very low	28.8	Very low	181 Å²	181	150 Å²	150	79%	0.787	80%	0.797	S	S	*	*			trans	70.1	141.1	155.5	-64.4	155.8	-174.2	165.6	0	115.7
907	R	29.1	Very low	28.8	Very low	235 Å²	235	152.2 Å²	152.2	89%	0.887	80%	0.799	S	S	*	*			cis	-153.4	164.7	7.5	-122.3	165	-174.6	173.4	-1.1	111.5
908	R	26	Very low	28.9	Very low	235 Å²	235	153.5 Å²	153.5	89%	0.887	80%	0.799	S	S	*	*			trans	-62.7	159.5	178.1	-62.2	169.4	170.8	150.5	-5.3	114.5
909	I	29.6	Very low	28.6	Very low	176 Å²	176	156.9 Å²	156.9	90%	0.903	80%	0.799	S	S	*	*				-161.4	160.5	119.8	-96.1	151.4	0	0	0	109.3
910	S	24.5	Very low	28.7	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	80%	0.798	S	S	*	*			trans	-153.6	157.8	-166	55.1	0	0	0	0	113
911	L	29.9	Very low	28.6	Very low	148 Å²	148	156.3 Å²	156.3	78%	0.775	79%	0.793	S	S	*	*			trans	168.3	133.3	154.5	-86.6	150.7	0	0	0	107.1
912	Q	28.4	Very low	28.8	Very low	176 Å²	176	158.7 Å²	158.7	82%	0.822	79%	0.791	S	S	*	*				59.5	135.5	69.6	-62	-177.1	-13.6	0	0	114.1
913	S	29.6	Very low	28.9	Very low	104 Å²	104	157.9 Å²	157.9	73%	0.727	79%	0.786	S	S	*	*			cis	-156.1	-163.9	-5.8	43.4	0	0	0	0	108.8
914	T	33.5	Very low	29.3	Very low	138 Å²	138	159.9 Å²	159.9	85%	0.847	79%	0.791	S	S	*	*			cis	-162.9	-169.2	19.3	-22.2	0	0	0	0	111.3
915	G	27.4	Very low	29.5	Very low	65 Å²	65	157.5 Å²	157.5	67%	0.67	78%	0.784	S	S	*	*			trans	-100.8	-155.1	168.5	0	0	0	0	0	114.1
916	P	34.2	Very low	29.7	Very low	137 Å²	137	163.3 Å²	163.3	89%	0.89	79%	0.793	S	S	*	*			cis	-141.1	-149.4	18.5	44.3	-22.7	0	0	0	116.4
917	K	29.5	Very low	30	Very low	191 Å²	191	160.3 Å²	160.3	83%	0.83	79%	0.79	S	S	*	*			trans	-112.1	159.3	-172.7	-56.5	171.5	177.7	174.7	0	114.6
918	I	28.3	Very low	30.3	Very low	172 Å²	172	154.9 Å²	154.9	88%	0.882	78%	0.778	S	S	*	*			trans	-140.6	158.4	158.8	-64	-173.6	0	0	0	110.9
919	F	24.5	Very low	30.6	Very low	187 Å²	187	152.6 Å²	152.6	82%	0.82	77%	0.77	S	S	*	*			trans	-127	164.2	-177.1	-114.4	-96.9	0	0	0	111.2
920	I	29.9	Very low	30.8	Very low	175 Å²	175	154.1 Å²	154.1	90%	0.897	76%	0.764	S	S	*	*			trans	164.8	170.2	138.9	-84.8	159.3	0	0	0	112.7
921	D	27.5	Very low	31.1	Very low	109 Å²	109	154.2 Å²	154.2	58%	0.583	77%	0.765	S	S	*	*			trans	-127.5	163.3	-154.1	162.1	44.9	0	0	0	113.7
922	R	31.5	Very low	31.2	Very low	199 Å²	199	152 Å²	152	75%	0.751	76%	0.762	S	S	*	*			trans	131.5	102.9	142.2	-65.9	-172.1	179.4	176.2	1.3	121.8
923	R	29.4	Very low	31.4	Very low	199 Å²	199	149 Å²	149	75%	0.751	76%	0.755	S	S	*	*				44.5	124.6	122.1	-55.6	176	-172.4	-166.8	-0.3	122.7
924	H	35.4	Very low	31.4	Very low	169 Å²	169	149 Å²	149	78%	0.782	76%	0.755	S	S	*	*				-174.2	136.9	113	-92.7	-16.3	0	0	0	110.7
925	N	33.4	Very low	31.4	Very low	124 Å²	124	146.6 Å²	146.6	66%	0.663	74%	0.744	S	S	*	*				69.7	137.3	73.1	-103.4	-8.9	0	0	0	114
926	R	32.8	Very low	31.7	Very low	208 Å²	208	150.2 Å²	150.2	79%	0.785	75%	0.749	S	S	*	*			cis	-169.6	175.5	2.2	-154.5	173.5	-168.4	-175.1	3.1	111.5
927	T	35.9	Very low	31.5	Very low	118 Å²	118	150.1 Å²	150.1	72%	0.724	74%	0.739	S	S	*	*			trans	76.4	154.4	167.8	79.6	0	0	0	0	115.9
928	N	34.3	Very low	31.5	Very low	122 Å²	122	146.7 Å²	146.7	65%	0.652	73%	0.734	S	S	*	*			cis	-166	172.5	-1.7	-112.6	-7.4	0	0	0	107.3
929	R	34.1	Very low	31.6	Very low	186 Å²	186	147 Å²	147	70%	0.702	73%	0.732	S	S	*	*			cis	-168.2	146.5	-14	-125	171.1	-171.9	-175.5	0.7	109.3
930	R	32.8	Very low	31.8	Very low	208 Å²	208	148.1 Å²	148.1	79%	0.785	75%	0.746	S	S	*	*			trans	58.8	126.5	155.9	-64.3	176.5	173.9	175.1	-5	119.5
931	S	31.3	Very low	31.9	Very low	103 Å²	103	146.8 Å²	146.8	72%	0.72	74%	0.738	S	S	*	*			cis	79.8	132.4	37.2	78.7	0	0	0	0	114.6
932	S	30.8	Very low	32.1	Very low	102 Å²	102	148.8 Å²	148.8	71%	0.713	75%	0.746	S	S	*	*			cis	-157.8	-150.9	0.6	41.1	0	0	0	0	109.1
933	T	32.5	Very low	32.2	Very low	112 Å²	112	146 Å²	146	69%	0.687	75%	0.746	S	S	*	*			cis	-170.1	159.7	16.7	-25.3	0	0	0	0	111.4
934	S	31.3	Very low	32.3	Very low	104 Å²	104	142.9 Å²	142.9	73%	0.727	75%	0.746	S	S	*	*			trans	57.2	148.9	148.9	55.7	0	0	0	0	122.1
935	S	31.8	Very low	32.2	Very low	88 Å²	88	141.3 Å²	141.3	62%	0.615	74%	0.743	S	S	*	*			cis	178.9	165.9	-12.9	52.3	0	0	0	0	110.8
936	N	34.1	Very low	32.1	Very low	142 Å²	142	142.4 Å²	142.4	76%	0.759	75%	0.749	S	S	*	*			trans	71.5	157.3	157.5	-61.9	-5.7	0	0	0	117.2
937	I	31	Very low	32	Very low	135 Å²	135	137.7 Å²	137.7	69%	0.692	75%	0.746	S	S	*	*			cis	-157	119.8	-13.6	-110.2	165.7	0	0	0	105.9
938	T	27.8	Very low	31.7	Very low	119 Å²	119	139.2 Å²	139.2	73%	0.73	75%	0.748	S	S	*	*				78	153.9	111	-33.7	0	0	0	0	116.7
939	E	30.3	Very low	31.5	Very low	178 Å²	178	140.7 Å²	140.7	83%	0.832	76%	0.756	S	S	*	*			trans	75.4	85.8	165.8	-51.6	-166.9	159.9	0	0	118.9
940	L	30.2	Very low	31.3	Very low	211 Å²	211	136.5 Å²	136.5	100%	1.105	76%	0.761	S	S	*	*				-156.3	0	99.1	-115.1	164	0	0	0	111.3

Retrieved 940 of 940 residues in 393.8 ms (Link to these results)

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