A0A077ZIN7_TRITR Loading...

Isy1 and Fringe and Rab5ip domain containing prot ein

AlphaFold DB , UniProt , Accession A0A077ZIN7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 867 aa.

						>A0A077ZIN7_TRITR|A0A077ZIN7
MARNAEKAMTALARWRRMKMEEERGPIARRPALASECNDLRRAERWRMDVIREIARKIAQIQNPGLGEFKIRDLNDEINKLLKTKYHWEVRICELGGPDYKRIAPKMLDREGREVPGNRGYKYFGAAKDLPGIRELFEKPDAEEMKTKKRQVLHRLDASYYGYLDEDDGVILPLEKEQEMEAIAKAVQDWKDQKESPFDTFGEEEGIHLYEDSFDTTIEPEEYLSGEGPSAPVESQDTNKRTYEGLIPQVEVPMQKDIEEALLNRKKKELLEKYASEALLQQCLEARTLMGIVLFAATYATVFPDYFTRITFDLEQNADNFFAQHWSSMSVSSSPSLTTTELWKRAITPNADWSQKDDLLDAIYWLKQLVSALLGVLWGTLPLRGALAIAIYFLVCSCISHLYVTSFQRVDEEWIGGLAEVIKEGFSTAFATFLVVWILLVHLTHVDFPDVIGSWAVWPLLESLDKRLKGKNFKWVFFLQPTTRIDVKRLRDVLQTYDENDAHFLGHALKDDGPTIVHHFYREAKPLLYPNYRAGFALSRAAFLNLVSYLKNDWAPKTPFTIDAQFELALIAQSIGLELTDTTSFCTSFMRPDCVTQHYRKVGSCTASDVDFKDVIFAVRTWHQNHDTRVKVLKDTWAKGKELRLYFFSDVEDPTIPTVKLKTKNTKAGHCAKTMEILSFFEQYGREKSAFTWLVLTDDDTLLNAGNLLKLLECFDSSMPIHLGQRYGFNFNKHGTSGYDYITFGGGSVFSSSAIGNFVSACKCPKDDSPDDMFLGSCASVANVDLVHSSLFHQNRPYDYNDELLEKDSTVSFHSFWAMDPIKAYHTYLVTESTANDTVNEHENESDESIIIPLSKGGSTAEHDVEL
					

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(Predicted Aligned Error values between residue pairs)

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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	45.1	Very low	48.7	Very low	224 Å²	224	122.9 Å²	122.9	100%	1.103	68%	0.676	S	S	*	*				0	-5.5	0	-65.1	-175.8	-155.6	0	0	114.9	R3 N4	M1-R3 PolarHBondContact O-N 3.13Å; M1-R3 VanDerWaalsContact O-N 3.08Å; M1-N4 PolarHBondContact O-N 2.86Å
2	A	42.9	Very low	49.2	Very low	80 Å²	80	122.3 Å²	122.3	66%	0.661	67%	0.671	S	S	*	*	H	α-helix	trans	-51.8	-32.4	178	0	0	0	0	0	114.7	N4 A5	A2-N4 PolarHBondContact O-N 2.74Å; A2-N4 VanDerWaalsContact O-N 3.11Å; A2-A5 PolarHBondContact O-N 2.93Å
3	R	40.1	Very low	50.2	Low	215 Å²	215	115.5 Å²	115.5	81%	0.811	64%	0.64	S	S	*	*	H	α-helix	trans	-56.4	-26.3	179.5	-83.7	-176.2	173.8	173.7	-1.5	115.7	M1	M1-R3 PolarHBondContact O-N 3.13Å; M1-R3 VanDerWaalsContact O-N 3.08Å
4	N	45.3	Very low	51.2	Low	123 Å²	123	118.4 Å²	118.4	66%	0.658	64%	0.637	S	S	*	*	H	α-helix	trans	-83.9	-28.1	-179	-82.8	-6.3	0	0	0	113.3	M1 A2	M1-N4 PolarHBondContact O-N 2.86Å; A2-N4 PolarHBondContact O-N 2.74Å; A2-N4 VanDerWaalsContact O-N 3.11Å
5	A	48.2	Very low	51.8	Low	71 Å²	71	121.1 Å²	121.1	59%	0.587	63%	0.634	S	S	*	*	H	α-helix	trans	-71.3	-37.1	177.6	0	0	0	0	0	111.6	A2 K7 A8	A2-A5 PolarHBondContact O-N 2.93Å; A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.22Å; A5-A8 PolarHBondContact O-N 3.42Å
6	E	46.3	Very low	52.8	Low	144 Å²	144	124.7 Å²	124.7	67%	0.673	64%	0.637	S	S	*	*	H	α-helix	trans	-65.7	-35	177.2	-72.1	-176.5	155.5	0	0	112.8	A8 M9	E6-A8 PolarHBondContact O-N 2.76Å; E6-M9 PolarHBondContact O-N 3.46Å; E6-M9 VanDerWaalsContact O-N 3.08Å
7	K	50.3	Low	53.4	Low	146 Å²	146	127.7 Å²	127.7	64%	0.635	64%	0.638	S	S	*	*	H	α-helix	trans	-60.1	-33.3	176.4	-78.1	-175	177.1	-178.8	0	112.7	A5 M9 T10	A5-K7 VanDerWaalsContact C-N 3.35Å; A5-K7 PolarHBondContact O-N 3.22Å; K7-M9 VanDerWaalsContact C-N 3.28Å; K7-M9 PolarHBondContact O-N 2.79Å; K7-T10 WeakPolarHBondContact O-CG2 3.36Å; K7-T10 PolarHBondContact O-N 2.93Å; K7-T10 PolarHBondContact O-OG1 3.4Å
8	A	53.8	Low	53.9	Low	72 Å²	72	128.1 Å²	128.1	60%	0.595	64%	0.64	S	S	*	*	H	α-helix	trans	-71.7	-20.1	178.4	0	0	0	0	0	113.6	A5 E6 A13	A5-A8 PolarHBondContact O-N 3.42Å; E6-A8 PolarHBondContact O-N 2.76Å; A8-A13 WeakPolarHBondContact O-CB 3.45Å
9	M	50.9	Low	54.5	Low	131 Å²	131	125.5 Å²	125.5	65%	0.645	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	-3.2	-179.3	-74.1	-100.6	-85.1	0	0	113.7	E6 K7 R14	E6-M9 PolarHBondContact O-N 3.46Å; E6-M9 VanDerWaalsContact O-N 3.08Å; K7-M9 VanDerWaalsContact C-N 3.28Å; K7-M9 PolarHBondContact O-N 2.79Å; M9-R14 PolarHBondContact O-NE 3.48Å; M9-R14 VanDerWaalsContact O-NE 3.12Å; M9-R14 PolarHBondContact O-NH2 3.44Å
10	T	55.8	Low	54.7	Low	63 Å²	63	124.1 Å²	124.1	39%	0.387	62%	0.617	S	S	.	*	S	Bend	trans	-59.3	146.6	179.2	55.1	0	0	0	0	111.8	K7 L12 A13 R14	K7-T10 WeakPolarHBondContact O-CG2 3.36Å; K7-T10 PolarHBondContact O-N 2.93Å; K7-T10 PolarHBondContact O-OG1 3.4Å; T10-L12 PolarHBondContact O-N 3.12Å; T10-L12 VanDerWaalsContact O-N 3.13Å; T10-A13 PolarHBondContact O-N 3.38Å; T10-R14 PolarHBondContact O-N 3.07Å
11	A	57.1	Low	54.6	Low	83 Å²	83	122.1 Å²	122.1	69%	0.686	61%	0.606	S	S	*	*	H	α-helix	trans	-54	-32.3	175.8	0	0	0	0	0	112.1	R14 W15	A11-R14 PolarHBondContact O-N 3.46Å; A11-W15 WeakPolarHBondContact O-CB 3.2Å; A11-W15 PolarHBondContact O-N 2.93Å
12	L	54.7	Low	55.1	Low	116 Å²	116	118 Å²	118	61%	0.607	58%	0.584	S	S	*	*	H	α-helix	trans	-69.4	-37	178.1	-164.4	140.1	0	0	0	113.2	T10 W15 R16	T10-L12 PolarHBondContact O-N 3.12Å; T10-L12 VanDerWaalsContact O-N 3.13Å; L12-W15 PolarHBondContact O-N 3.08Å; L12-R16 WeakPolarHBondContact O-CB 3.47Å; L12-R16 PolarHBondContact O-N 3.2Å
13	A	62.4	Low	55.7	Low	33 Å²	33	121.5 Å²	121.5	27%	0.273	59%	0.586	S	S	.	*	H	α-helix	trans	-67.7	-39.2	173.5	0	0	0	0	0	111.6	A8 T10 R17	A8-A13 WeakPolarHBondContact O-CB 3.45Å; T10-A13 PolarHBondContact O-N 3.38Å; A13-R17 WeakPolarHBondContact O-CB 3.39Å; A13-R17 PolarHBondContact O-N 3.29Å
14	R	63.7	Low	56.4	Low	157 Å²	157	120 Å²	120	59%	0.592	58%	0.581	S	S	*	*	H	α-helix	trans	-64.2	-44.4	173.3	-60.4	-176.2	-146.3	-155.5	4.6	111.3	M9 T10 A11 R17 M18	M9-R14 PolarHBondContact O-NE 3.48Å; M9-R14 VanDerWaalsContact O-NE 3.12Å; M9-R14 PolarHBondContact O-NH2 3.44Å; T10-R14 PolarHBondContact O-N 3.07Å; A11-R14 PolarHBondContact O-N 3.46Å; R14-R17 PolarHBondContact O-N 3.31Å; R14-M18 WeakPolarHBondContact O-CB 3.43Å; R14-M18 PolarHBondContact O-N 2.97Å
15	W	60	Low	56.4	Low	159 Å²	159	115.5 Å²	115.5	60%	0.602	56%	0.564	S	S	*	*	H	α-helix	trans	-63.3	-42.7	177.2	-172.4	81.6	0	0	0	112.3	A11 L12 R17 M18 K19	A11-W15 WeakPolarHBondContact O-CB 3.2Å; A11-W15 PolarHBondContact O-N 2.93Å; L12-W15 PolarHBondContact O-N 3.08Å; W15-R17 PolarHBondContact O-N 2.86Å; W15-M18 PolarHBondContact O-N 2.91Å; W15-K19 HydrophobicContact CD2-CG 4.36Å; W15-K19 HydrophobicContact CE3-CG 4.5Å; W15-K19 HydrophobicContact CH2-CG 4.16Å; W15-K19 HydrophobicContact CZ2-CG 4Å; W15-K19 HydrophobicContact CZ3-CG 4.41Å; W15-K19 WeakPolarHBondContact O-CB 3.44Å; W15-K19 PolarHBondContact O-N 3.45Å
16	R	67.9	Low	56.4	Low	178 Å²	178	118.6 Å²	118.6	67%	0.672	58%	0.577	S	S	*	*	H	α-helix	trans	-59.9	-42.7	173.1	-99.4	-174.2	178.9	179.6	0.5	112.8	L12 K19 M20	L12-R16 WeakPolarHBondContact O-CB 3.47Å; L12-R16 PolarHBondContact O-N 3.2Å; R16-K19 PolarHBondContact O-N 3.05Å; R16-M20 WeakPolarHBondContact O-CB 3.48Å; R16-M20 WeakPolarHBondContact O-CG 3.47Å; R16-M20 PolarHBondContact O-N 2.88Å
17	R	62.7	Low	56.9	Low	176 Å²	176	117.2 Å²	117.2	66%	0.664	57%	0.574	S	S	*	*	H	α-helix	trans	-65.3	-44.1	177.5	-171.5	178.3	179.7	168.6	4.6	111.1	A13 R14 W15 K19 M20 E21	A13-R17 WeakPolarHBondContact O-CB 3.39Å; A13-R17 PolarHBondContact O-N 3.29Å; R14-R17 PolarHBondContact O-N 3.31Å; W15-R17 PolarHBondContact O-N 2.86Å; R17-K19 VanDerWaalsContact C-N 3.35Å; R17-K19 PolarHBondContact O-N 3.41Å; R17-M20 PolarHBondContact O-N 3.49Å; R17-E21 IonicContact NE-OE1 3.6Å; R17-E21 WeakPolarHBondContact O-CG 3.19Å; R17-E21 PolarHBondContact O-N 3.45Å
18	M	62.1	Low	57.4	Low	135 Å²	135	113.9 Å²	113.9	67%	0.665	57%	0.573	S	S	*	*	H	α-helix	trans	-62.3	-40.8	176.2	-159.4	178.8	-162	0	0	111.5	R14 W15 E21 E22	R14-M18 WeakPolarHBondContact O-CB 3.43Å; R14-M18 PolarHBondContact O-N 2.97Å; W15-M18 PolarHBondContact O-N 2.91Å; M18-E21 PolarHBondContact O-N 3.05Å; M18-E22 PolarHBondContact O-N 3.29Å
19	K	65.9	Low	58	Low	79 Å²	79	120.8 Å²	120.8	34%	0.343	58%	0.584	S	S	.	*	H	α-helix	trans	-66.3	-42.2	174.9	-91.6	-71.6	171.8	-155	0	113.5	W15 R16 R17 E21 E22 E23	W15-K19 HydrophobicContact CD2-CG 4.36Å; W15-K19 HydrophobicContact CE3-CG 4.5Å; W15-K19 HydrophobicContact CH2-CG 4.16Å; W15-K19 HydrophobicContact CZ2-CG 4Å; W15-K19 HydrophobicContact CZ3-CG 4.41Å; W15-K19 WeakPolarHBondContact O-CB 3.44Å; W15-K19 PolarHBondContact O-N 3.45Å; R16-K19 PolarHBondContact O-N 3.05Å; R17-K19 VanDerWaalsContact C-N 3.35Å; R17-K19 PolarHBondContact O-N 3.41Å; K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 2.9Å; K19-E22 IonicContact NZ-OE2 2.74Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 3.36Å; K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 2.94Å
20	M	58.1	Low	59.5	Low	96 Å²	96	118.7 Å²	118.7	47%	0.473	57%	0.569	S	S	.	*	H	α-helix	trans	-61.2	-36.1	172.9	-79.5	-86.4	-156.9	0	0	112	R16 R17 R24	R16-M20 WeakPolarHBondContact O-CB 3.48Å; R16-M20 WeakPolarHBondContact O-CG 3.47Å; R16-M20 PolarHBondContact O-N 2.88Å; R17-M20 PolarHBondContact O-N 3.49Å; M20-R24 WeakPolarHBondContact O-CB 3.34Å; M20-R24 WeakPolarHBondContact O-CG 3.43Å; M20-R24 PolarHBondContact O-N 3.4Å
21	E	54.2	Low	60.6	Low	84 Å²	84	117.1 Å²	117.1	39%	0.393	56%	0.559	S	S	.	*	H	α-helix	trans	-72.5	-33.4	175.6	-75.5	173.5	-174.8	0	0	112.2	R17 M18 K19 G25	R17-E21 IonicContact NE-OE1 3.6Å; R17-E21 WeakPolarHBondContact O-CG 3.19Å; R17-E21 PolarHBondContact O-N 3.45Å; M18-E21 PolarHBondContact O-N 3.05Å; K19-E21 VanDerWaalsContact C-N 3.26Å; K19-E21 PolarHBondContact O-N 2.9Å; E21-G25 CarbonylContact O-C 3.59Å; E21-G25 PolarHBondContact O-N 2.93Å
22	E	54.3	Low	61.5	Low	137 Å²	137	118 Å²	118	64%	0.64	57%	0.566	S	S	*	*	H	α-helix	trans	-68.8	-46.1	172.8	-131.1	179.6	-166.5	0	0	111.9	M18 K19	M18-E22 PolarHBondContact O-N 3.29Å; K19-E22 IonicContact NZ-OE2 2.74Å; K19-E22 PolarHBondContact NZ-OE2 3.22Å; K19-E22 PolarHBondContact O-N 3.36Å
23	E	55.3	Low	62.8	Low	153 Å²	153	117.2 Å²	117.2	72%	0.715	56%	0.563	S	S	*	*	H	α-helix	trans	-70.8	-36.2	-178.5	-75.9	177.8	179.6	0	0	113.2	K19	K19-E23 WeakPolarHBondContact O-CB 3.48Å; K19-E23 WeakPolarHBondContact O-CG 3.39Å; K19-E23 PolarHBondContact O-N 2.94Å
24	R	56.2	Low	63.9	Low	185 Å²	185	116.5 Å²	116.5	70%	0.698	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.4	-175.5	-67	-178.5	167.1	-176.7	-4.4	113.9	M20	M20-R24 WeakPolarHBondContact O-CB 3.34Å; M20-R24 WeakPolarHBondContact O-CG 3.43Å; M20-R24 PolarHBondContact O-N 3.4Å
25	G	44.8	Very low	64.8	Low	28 Å²	28	112.4 Å²	112.4	29%	0.289	55%	0.552	S	S	.	*			trans	63.2	175.3	-169.5	0	0	0	0	0	112.2	E21 I27	E21-G25 CarbonylContact O-C 3.59Å; E21-G25 PolarHBondContact O-N 2.93Å; G25-I27 PolarHBondContact O-N 3.44Å
26	P	47.4	Very low	66	Low	135 Å²	135	110.4 Å²	110.4	88%	0.877	55%	0.549	S	S	*	.			trans	-61.7	109.8	-177.9	24	-31.9	0	0	0	110.3	A28	P26-A28 PolarHBondContact O-N 3.25Å
27	I	57.5	Low	66.8	Low	116 Å²	116	102.3 Å²	102.3	60%	0.595	52%	0.52	S	S	*	.			trans	-55.3	112.2	169	-61.1	169	0	0	0	106.2	G25 R29	G25-I27 PolarHBondContact O-N 3.44Å; I27-R29 PolarHBondContact O-N 3.09Å
28	A	59.9	Low	67.9	Low	75 Å²	75	100 Å²	100	62%	0.62	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-50.5	119.9	174.2	0	0	0	0	0	107.4	P26 W46	P26-A28 PolarHBondContact O-N 3.25Å; A28-W46 HydrophobicContact CB-CH2 4.21Å; A28-W46 HydrophobicContact CB-CZ2 4.42Å; A28-W46 VanDerWaalsContact O-CH2 3.23Å; A28-W46 WeakPolarHBondContact O-CH2 3.44Å
29	R	68.1	Low	69.1	Low	218 Å²	218	96.9 Å²	96.9	82%	0.823	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-84.5	142.4	176.2	-72	-174.7	178.9	179.7	1.4	108.4	I27 W46	I27-R29 PolarHBondContact O-N 3.09Å; R29-W46 VanDerWaalsContact C-CH2 3.5Å
30	R	81.6	Confident	70.1	Confident	87 Å²	87	95.8 Å²	95.8	33%	0.328	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-56	127.8	169.1	-175.9	177	64.7	-159.5	-9	108.2	W46 E53 W88	R30-W46 HydrophobicContact CB-CD2 3.92Å; R30-W46 HydrophobicContact CB-CE3 3.49Å; R30-W46 VanDerWaalsContact CB-CE3 3.49Å; R30-W46 HydrophobicContact CB-CH2 4.34Å; R30-W46 HydrophobicContact CB-CZ3 3.74Å; R30-W46 HydrophobicContact CG-CB 4.24Å; R30-W46 HydrophobicContact CG-CD2 3.87Å; R30-W46 HydrophobicContact CG-CE3 3.83Å; R30-W46 HydrophobicContact CG-CG 4.05Å; R30-E53 IonicContact NH1-OE2 2.58Å; R30-W88 HydrophobicContact CG-CZ2 3.61Å
31	P	78.1	Confident	71.4	Confident	29 Å²	29	100.7 Å²	100.7	19%	0.188	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-60.4	149.1	175.2	24.8	-32	0	0	0	110.2	L33 E36 C37 W88	P31-L33 VanDerWaalsContact C-N 3.32Å; P31-L33 PolarHBondContact O-N 3.46Å; P31-E36 HydrophobicContact CB-CB 4.09Å; P31-E36 WeakPolarHBondContact CB-OE2 3.33Å; P31-C37 HydrophobicContact CG-CB 4.42Å; P31-W88 HydrophobicContact CG-CH2 3.69Å; P31-W88 HydrophobicContact CG-CZ2 4.04Å
32	A	76.8	Confident	73	Confident	101 Å²	101	104 Å²	104	84%	0.835	53%	0.526	S	S	*	.	S	Bend	trans	-66.8	-37.7	-174.7	0	0	0	0	0	111.4
33	L	82.5	Confident	74.7	Confident	101 Å²	101	97.5 Å²	97.5	53%	0.529	50%	0.496	S	S	.	.	S	Bend	trans	-106.7	132.3	172.9	-69.8	118	0	0	0	110.2	P31 S35 E36	P31-L33 VanDerWaalsContact C-N 3.32Å; P31-L33 PolarHBondContact O-N 3.46Å; L33-S35 PolarHBondContact O-N 3.48Å; L33-E36 HydrophobicContact CB-CG 4.17Å; L33-E36 PolarHBondContact O-N 3.26Å
34	A	84.6	Confident	76.3	Confident	17 Å²	17	92.8 Å²	92.8	14%	0.14	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-61	-30.2	176.7	0	0	0	0	0	112.1	E36 C37 H87 W88 R91	A34-E36 PolarHBondContact O-N 2.81Å; A34-C37 PolarHBondContact O-N 2.71Å; A34-C37 VanDerWaalsContact O-N 3.14Å; A34-H87 HydrophobicContact CB-CB 4.46Å; A34-W88 HydrophobicContact CB-CD2 3.83Å; A34-W88 HydrophobicContact CB-CE3 3.91Å; A34-W88 HydrophobicContact CB-CG 4.39Å; A34-W88 HydrophobicContact CB-CH2 4.19Å; A34-W88 HydrophobicContact CB-CZ2 4.09Å; A34-W88 HydrophobicContact CB-CZ3 4.09Å; A34-R91 HydrophobicContact CB-CB 4.13Å; A34-R91 HydrophobicContact CB-CG 4.46Å; A34-R91 WeakPolarHBondContact O-CG 3.32Å
35	S	83.3	Confident	77.8	Confident	71 Å²	71	91.9 Å²	91.9	50%	0.497	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.8	178.7	51.7	0	0	0	0	114.3	L33 C37	L33-S35 PolarHBondContact O-N 3.48Å; S35-C37 PolarHBondContact O-N 2.72Å
36	E	85.4	Confident	80	Confident	117 Å²	117	92 Å²	92	55%	0.547	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-73.9	-16.4	177.6	-66.2	172.3	-178.3	0	0	112.7	P31 L33 A34	P31-E36 HydrophobicContact CB-CB 4.09Å; P31-E36 WeakPolarHBondContact CB-OE2 3.33Å; L33-E36 HydrophobicContact CB-CG 4.17Å; L33-E36 PolarHBondContact O-N 3.26Å; A34-E36 PolarHBondContact O-N 2.81Å
37	C	85.1	Confident	82	Confident	9 Å²	9	86.1 Å²	86.1	6%	0.061	42%	0.423	C	S	.	.			trans	-91.3	112.5	177.8	-166.6	0	0	0	0	110	P31 A34 S35 D39 R42 W88 R91	P31-C37 HydrophobicContact CG-CB 4.42Å; A34-C37 PolarHBondContact O-N 2.71Å; A34-C37 VanDerWaalsContact O-N 3.14Å; S35-C37 PolarHBondContact O-N 2.72Å; C37-D39 PolarHBondContact SG-O 3.41Å; C37-D39 VanDerWaalsContact SG-O 3.36Å; C37-R42 VanDerWaalsContact SG-CB 3.52Å; C37-W88 HydrophobicContact CB-CH2 3.84Å; C37-W88 HydrophobicContact CB-CZ3 3.69Å; C37-R91 PolarHBondContact O-NE 3.01Å; C37-R91 PolarHBondContact O-NH2 3.14Å
38	N	85.6	Confident	83.4	Confident	127 Å²	127	84.4 Å²	84.4	68%	0.679	41%	0.413	S	S	*	.			trans	-98.5	-2.3	175.3	-65.4	-20.6	0	0	0	113.4	R91	N38-R91 PolarHBondContact OD1-NH2 3.43Å
39	D	86.6	Confident	84.7	Confident	70 Å²	70	83.4 Å²	83.4	37%	0.374	40%	0.397	S	S	.	.			trans	-100.3	117.7	177.7	175.4	0.7	0	0	0	109.6	C37 R41 R42 A43	C37-D39 PolarHBondContact SG-O 3.41Å; C37-D39 VanDerWaalsContact SG-O 3.36Å; D39-R41 VanDerWaalsContact C-N 3.33Å; D39-R41 PolarHBondContact O-N 3.35Å; D39-R41 PolarHBondContact OD1-N 3.5Å; D39-R42 HydrophobicContact CB-CB 4.07Å; D39-R42 HydrophobicContact CB-CG 4.21Å; D39-R42 PolarHBondContact O-N 3.33Å; D39-R42 WeakPolarHBondContact OD2-CD 3.44Å; D39-R42 VanDerWaalsContact OD2-CG 3.29Å; D39-R42 WeakPolarHBondContact OD2-CG 3.41Å; D39-R42 IonicContact OD2-NE 3.3Å; D39-A43 PolarHBondContact O-N 2.82Å
40	L	86.7	Confident	85.8	Confident	55 Å²	55	73 Å²	73	29%	0.288	36%	0.358	S	S	.	.	H	α-helix	trans	-56.7	-44.3	179.9	176.9	62.7	0	0	0	111.9	R42 A43 E44 I92 L95	L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 2.66Å; L40-A43 WeakPolarHBondContact O-CB 3.21Å; L40-A43 PolarHBondContact O-N 3.21Å; L40-A43 VanDerWaalsContact O-N 3.15Å; L40-E44 HydrophobicContact CD1-CG 4.36Å; L40-E44 WeakPolarHBondContact O-CG 2.96Å; L40-E44 PolarHBondContact O-N 3.19Å; L40-I92 HydrophobicContact CD1-CB 4.43Å; L40-I92 HydrophobicContact CD1-CG2 3.76Å; L40-L95 HydrophobicContact CB-CB 4.34Å; L40-L95 HydrophobicContact CD1-CB 4.08Å
41	R	86.3	Confident	86.1	Confident	200 Å²	200	70.7 Å²	70.7	76%	0.755	35%	0.352	S	S	*	.	H	α-helix	trans	-66.3	-36.9	-178.1	-72.4	-175.3	175.2	178.1	-0.5	111.7	D39 R45	D39-R41 VanDerWaalsContact C-N 3.33Å; D39-R41 PolarHBondContact O-N 3.35Å; D39-R41 PolarHBondContact OD1-N 3.5Å; R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 3.49Å; R41-R45 VanDerWaalsContact O-N 3.12Å
42	R	87.5	Confident	86.5	Confident	153 Å²	153	76 Å²	76	58%	0.577	37%	0.368	S	S	*	.	H	α-helix	trans	-67.6	-42.4	173.3	-77	177.9	-173.5	-166.1	-0.3	110.9	C37 D39 L40 E44 R45 W46	C37-R42 VanDerWaalsContact SG-CB 3.52Å; D39-R42 HydrophobicContact CB-CB 4.07Å; D39-R42 HydrophobicContact CB-CG 4.21Å; D39-R42 PolarHBondContact O-N 3.33Å; D39-R42 WeakPolarHBondContact OD2-CD 3.44Å; D39-R42 VanDerWaalsContact OD2-CG 3.29Å; D39-R42 WeakPolarHBondContact OD2-CG 3.41Å; D39-R42 IonicContact OD2-NE 3.3Å; L40-R42 VanDerWaalsContact C-N 3.32Å; L40-R42 PolarHBondContact O-N 2.66Å; R42-E44 PolarHBondContact O-N 3.41Å; R42-R45 WeakPolarHBondContact O-CB 3.49Å; R42-R45 PolarHBondContact O-N 2.9Å; R42-W46 VanDerWaalsContact O-CG 3.31Å; R42-W46 PolarHBondContact O-N 3.4Å
43	A	89.6	Confident	87.1	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.1	-44.1	178.4	0	0	0	0	0	112.1	D39 L40 R45 W46 R47 W88 I92 L95	D39-A43 PolarHBondContact O-N 2.82Å; L40-A43 WeakPolarHBondContact O-CB 3.21Å; L40-A43 PolarHBondContact O-N 3.21Å; L40-A43 VanDerWaalsContact O-N 3.15Å; A43-R45 PolarHBondContact O-N 2.89Å; A43-W46 PolarHBondContact O-N 3.15Å; A43-R47 PolarHBondContact O-N 3.15Å; A43-W88 HydrophobicContact CB-CE3 4Å; A43-W88 HydrophobicContact CB-CZ3 3.94Å; A43-I92 HydrophobicContact CB-CG1 3.72Å; A43-L95 HydrophobicContact CB-CD1 4.03Å
44	E	89	Confident	87.4	Confident	55 Å²	55	69.4 Å²	69.4	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-40.8	174.9	-70.1	-168.1	136	0	0	112.7	L40 R42 R47 M48 I92 Y100	L40-E44 HydrophobicContact CD1-CG 4.36Å; L40-E44 WeakPolarHBondContact O-CG 2.96Å; L40-E44 PolarHBondContact O-N 3.19Å; R42-E44 PolarHBondContact O-N 3.41Å; E44-R47 WeakPolarHBondContact O-CB 3.28Å; E44-R47 PolarHBondContact O-N 3Å; E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.23Å; E44-I92 HydrophobicContact CB-CD1 4.46Å; E44-I92 HydrophobicContact CG-CD1 3.97Å; E44-I92 HydrophobicContact CG-CG1 4.12Å; E44-I92 HydrophobicContact CG-CG2 4.19Å; E44-Y100 HydrophobicContact CG-CE2 4.48Å; E44-Y100 PolarHBondContact OE1-OH 3.44Å
45	R	88.5	Confident	87.5	Confident	165 Å²	165	70.9 Å²	70.9	62%	0.623	33%	0.329	S	S	*	.	H	α-helix	trans	-60.2	-46.3	174	-170.7	-177.5	-61.6	178.7	-0.5	111.2	R41 R42 A43 R47 M48 D49	R41-R45 WeakPolarHBondContact O-CB 3.48Å; R41-R45 PolarHBondContact O-N 3.49Å; R41-R45 VanDerWaalsContact O-N 3.12Å; R42-R45 WeakPolarHBondContact O-CB 3.49Å; R42-R45 PolarHBondContact O-N 2.9Å; A43-R45 PolarHBondContact O-N 2.89Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 3.28Å; R45-M48 PolarHBondContact O-N 3.23Å; R45-D49 PolarHBondContact O-N 3.28Å
46	W	90.2	Very high	87.8	Confident	32 Å²	32	74.7 Å²	74.7	12%	0.121	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-38.4	177	-65.4	129.6	0	0	0	112.7	A28 R29 R30 R42 A43 D49 V50 W88	A28-W46 HydrophobicContact CB-CH2 4.21Å; A28-W46 HydrophobicContact CB-CZ2 4.42Å; A28-W46 VanDerWaalsContact O-CH2 3.23Å; A28-W46 WeakPolarHBondContact O-CH2 3.44Å; R29-W46 VanDerWaalsContact C-CH2 3.5Å; R30-W46 HydrophobicContact CB-CD2 3.92Å; R30-W46 HydrophobicContact CB-CE3 3.49Å; R30-W46 VanDerWaalsContact CB-CE3 3.49Å; R30-W46 HydrophobicContact CB-CH2 4.34Å; R30-W46 HydrophobicContact CB-CZ3 3.74Å; R30-W46 HydrophobicContact CG-CB 4.24Å; R30-W46 HydrophobicContact CG-CD2 3.87Å; R30-W46 HydrophobicContact CG-CE3 3.83Å; R30-W46 HydrophobicContact CG-CG 4.05Å; R42-W46 VanDerWaalsContact O-CG 3.31Å; R42-W46 PolarHBondContact O-N 3.4Å; A43-W46 PolarHBondContact O-N 3.15Å; W46-D49 PolarHBondContact O-N 3.27Å; W46-V50 WeakPolarHBondContact O-CG2 3.45Å; W46-V50 PolarHBondContact O-N 2.82Å; W46-W88 HydrophobicContact CB-CD2 3.92Å; W46-W88 HydrophobicContact CB-CE3 4.03Å; W46-W88 HydrophobicContact CB-CH2 3.9Å; W46-W88 HydrophobicContact CB-CZ2 3.8Å; W46-W88 HydrophobicContact CB-CZ3 4.02Å; W46-W88 AromaticContact CD1-CH2 3.43Å; W46-W88 VanDerWaalsContact CD1-CH2 3.43Å; W46-W88 AromaticContact CD1-CZ3 3.76Å; W46-W88 AromaticContact CG-CH2 3.85Å; W46-W88 HydrophobicContact CG-CH2 3.85Å; W46-W88 HydrophobicContact CG-CZ2 4.01Å; W46-W88 HydrophobicContact CG-CZ3 4.24Å
47	R	90.1	Very high	88.1	Confident	11 Å²	11	70.7 Å²	70.7	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-47.5	172.6	-179.9	-175.5	172	-104.4	-3	111.4	A43 E44 R45 D49 V50 I51 W88 E89 I92 Y100	A43-R47 PolarHBondContact O-N 3.15Å; E44-R47 WeakPolarHBondContact O-CB 3.28Å; E44-R47 PolarHBondContact O-N 3Å; R45-R47 VanDerWaalsContact C-N 3.34Å; R45-R47 PolarHBondContact O-N 3.28Å; R47-D49 VanDerWaalsContact C-N 3.3Å; R47-D49 PolarHBondContact O-N 2.95Å; R47-V50 WeakPolarHBondContact O-CB 3.46Å; R47-V50 PolarHBondContact O-N 3.2Å; R47-I51 HydrophobicContact CG-CD1 4.09Å; R47-I51 WeakPolarHBondContact O-CG1 3.29Å; R47-I51 PolarHBondContact O-N 3.32Å; R47-W88 HydrophobicContact CB-CB 4.03Å; R47-W88 HydrophobicContact CG-CB 4.5Å; R47-E89 HydrophobicContact CG-CG 4.3Å; R47-E89 IonicContact CZ-OE1 3.9Å; R47-E89 VanDerWaalsContact CZ-OE1 3.23Å; R47-E89 IonicContact NE-OE1 3.01Å; R47-E89 PolarHBondContact NE-OE1 2.98Å; R47-E89 IonicContact NH2-OE1 3.93Å; R47-E89 PolarHBondContact NH2-OE1 3.08Å; R47-I92 HydrophobicContact CB-CD1 3.73Å; R47-I92 HydrophobicContact CG-CD1 4.25Å; R47-Y100 VanDerWaalsContact NH1-CE1 3.25Å
48	M	86.1	Confident	88.2	Confident	80 Å²	80	70.7 Å²	70.7	39%	0.394	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-39.2	178	-74.3	-61.8	127	0	0	112.3	E44 R45 V50 I51 R52	E44-M48 WeakPolarHBondContact O-CG 3.43Å; E44-M48 PolarHBondContact O-N 3.23Å; R45-M48 PolarHBondContact O-N 3.23Å; M48-V50 VanDerWaalsContact C-N 3.34Å; M48-V50 PolarHBondContact O-N 3.11Å; M48-I51 HydrophobicContact CE-CD1 3.9Å; M48-I51 PolarHBondContact O-N 3.21Å; M48-I51 HydrophobicContact SD-CD1 4.5Å; M48-R52 WeakPolarHBondContact O-CB 3.17Å; M48-R52 PolarHBondContact O-N 3.35Å
49	D	87.7	Confident	88.2	Confident	53 Å²	53	68.1 Å²	68.1	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-39.1	176	-71.5	-26.1	0	0	0	111.8	R45 W46 R47 R52 E53	R45-D49 PolarHBondContact O-N 3.28Å; W46-D49 PolarHBondContact O-N 3.27Å; R47-D49 VanDerWaalsContact C-N 3.3Å; R47-D49 PolarHBondContact O-N 2.95Å; D49-R52 PolarHBondContact O-N 3.41Å; D49-R52 IonicContact OD1-NH1 3.04Å; D49-R52 PolarHBondContact OD1-NH1 3.17Å; D49-E53 PolarHBondContact O-N 3.2Å
50	V	89.9	Confident	88.2	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-62.2	-45.9	173.8	-173.8	0	0	0	0	110.7	W46 R47 M48 R52 E53 I54 L81 T84 K85	W46-V50 WeakPolarHBondContact O-CG2 3.45Å; W46-V50 PolarHBondContact O-N 2.82Å; R47-V50 WeakPolarHBondContact O-CB 3.46Å; R47-V50 PolarHBondContact O-N 3.2Å; M48-V50 VanDerWaalsContact C-N 3.34Å; M48-V50 PolarHBondContact O-N 3.11Å; V50-R52 VanDerWaalsContact C-N 3.33Å; V50-R52 PolarHBondContact O-N 3.06Å; V50-E53 WeakPolarHBondContact O-CB 3.44Å; V50-E53 PolarHBondContact O-N 2.99Å; V50-E53 VanDerWaalsContact O-N 3.15Å; V50-I54 HydrophobicContact CG1-CD1 4Å; V50-I54 HydrophobicContact CG1-CG1 4.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.48Å; V50-L81 HydrophobicContact CG1-CB 4.26Å; V50-L81 HydrophobicContact CG1-CD2 4.24Å; V50-L81 WeakPolarHBondContact CG1-O 3.28Å; V50-T84 HydrophobicContact CG2-CG2 4.27Å; V50-K85 HydrophobicContact CG1-CB 3.87Å
51	I	88.3	Confident	88.3	Confident	38 Å²	38	66.6 Å²	66.6	20%	0.195	30%	0.298	C	S	.	.	H	α-helix	trans	-61.1	-43	179	-71.9	170.5	0	0	0	110.9	R47 M48 E53 I54 A55 K85 L108	R47-I51 HydrophobicContact CG-CD1 4.09Å; R47-I51 WeakPolarHBondContact O-CG1 3.29Å; R47-I51 PolarHBondContact O-N 3.32Å; M48-I51 HydrophobicContact CE-CD1 3.9Å; M48-I51 PolarHBondContact O-N 3.21Å; M48-I51 HydrophobicContact SD-CD1 4.5Å; I51-E53 VanDerWaalsContact C-N 3.27Å; I51-E53 PolarHBondContact O-N 3.4Å; I51-I54 PolarHBondContact O-N 2.89Å; I51-A55 PolarHBondContact O-N 3.09Å; I51-K85 HydrophobicContact CD1-CD 4.26Å; I51-K85 HydrophobicContact CD1-CG 4.43Å; I51-K85 HydrophobicContact CG1-CD 3.83Å; I51-K85 HydrophobicContact CG1-CG 3.98Å; I51-L108 HydrophobicContact CG2-CD1 4.18Å
52	R	86.8	Confident	88.1	Confident	142 Å²	142	61.5 Å²	61.5	54%	0.536	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-28.4	177.4	-164.3	-177.7	-66.7	134.8	-4.3	112.4	M48 D49 V50 R56	M48-R52 WeakPolarHBondContact O-CB 3.17Å; M48-R52 PolarHBondContact O-N 3.35Å; D49-R52 PolarHBondContact O-N 3.41Å; D49-R52 IonicContact OD1-NH1 3.04Å; D49-R52 PolarHBondContact OD1-NH1 3.17Å; V50-R52 VanDerWaalsContact C-N 3.33Å; V50-R52 PolarHBondContact O-N 3.06Å; R52-R56 WeakPolarHBondContact O-CG 3.36Å; R52-R56 PolarHBondContact O-N 3.49Å; R52-R56 PolarHBondContact O-NE 3.23Å; R52-R56 VanDerWaalsContact O-NE 3.16Å
53	E	89.4	Confident	87.8	Confident	63 Å²	63	58.7 Å²	58.7	29%	0.294	28%	0.28	S	S	.	.	H	α-helix	trans	-72.6	-43.9	172.4	-162.3	179.8	171.8	0	0	111.6	R30 D49 V50 I51 R56 K57 L81	R30-E53 IonicContact NH1-OE2 2.58Å; D49-E53 PolarHBondContact O-N 3.2Å; V50-E53 WeakPolarHBondContact O-CB 3.44Å; V50-E53 PolarHBondContact O-N 2.99Å; V50-E53 VanDerWaalsContact O-N 3.15Å; I51-E53 VanDerWaalsContact C-N 3.27Å; I51-E53 PolarHBondContact O-N 3.4Å; E53-R56 PolarHBondContact O-N 3.26Å; E53-K57 PolarHBondContact O-N 2.9Å; E53-L81 HydrophobicContact CB-CD1 4.05Å; E53-L81 HydrophobicContact CG-CD1 3.68Å; E53-L81 HydrophobicContact CG-CD2 4.44Å; E53-L81 WeakPolarHBondContact OE2-CD2 3.5Å
54	I	89.8	Confident	87.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-50.9	174.6	-67.3	162.9	0	0	0	110.5	V50 I51 R56 K57 I58 I78 L81 L82 K85 L108	V50-I54 HydrophobicContact CG1-CD1 4Å; V50-I54 HydrophobicContact CG1-CG1 4.49Å; V50-I54 WeakPolarHBondContact O-CG1 3.32Å; V50-I54 PolarHBondContact O-N 3.48Å; I51-I54 PolarHBondContact O-N 2.89Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.05Å; I54-K57 PolarHBondContact O-N 3.38Å; I54-K57 VanDerWaalsContact O-N 3.08Å; I54-I58 HydrophobicContact CG2-CD1 3.65Å; I54-I58 HydrophobicContact CG2-CG1 4.18Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.2Å; I54-I78 HydrophobicContact CG2-CG2 4.3Å; I54-L81 HydrophobicContact CD1-CB 4.02Å; I54-L81 HydrophobicContact CG1-CB 3.48Å; I54-L81 VanDerWaalsContact CG1-CB 3.48Å; I54-L81 HydrophobicContact CG1-CD1 4.1Å; I54-L81 HydrophobicContact CG1-CG 4.44Å; I54-L82 HydrophobicContact CD1-CD2 3.88Å; I54-L82 HydrophobicContact CD1-CG 4.17Å; I54-K85 HydrophobicContact CD1-CB 4.19Å; I54-K85 HydrophobicContact CD1-CD 4.39Å; I54-L108 HydrophobicContact CG2-CD1 4.15Å; I54-L108 HydrophobicContact CG2-CD2 4.07Å
55	A	86.4	Confident	87	Confident	48 Å²	48	63.9 Å²	63.9	40%	0.397	33%	0.33	S	S	.	.	H	α-helix	trans	-58.7	-40.2	-179.3	0	0	0	0	0	112.2	I51 A59	I51-A55 PolarHBondContact O-N 3.09Å; A55-A59 WeakPolarHBondContact O-CB 3.13Å; A55-A59 PolarHBondContact O-N 3.23Å
56	R	88.5	Confident	86.5	Confident	150 Å²	150	58.2 Å²	58.2	57%	0.566	31%	0.312	S	S	*	.	H	α-helix	trans	-66.1	-37.6	175.5	-81	-175.9	-75.3	177.8	-2.6	113	R52 E53 I54 Q60	R52-R56 WeakPolarHBondContact O-CG 3.36Å; R52-R56 PolarHBondContact O-N 3.49Å; R52-R56 PolarHBondContact O-NE 3.23Å; R52-R56 VanDerWaalsContact O-NE 3.16Å; E53-R56 PolarHBondContact O-N 3.26Å; I54-R56 VanDerWaalsContact C-N 3.29Å; I54-R56 PolarHBondContact O-N 3.05Å; R56-Q60 WeakPolarHBondContact O-CG 3.46Å; R56-Q60 PolarHBondContact O-N 3.19Å; R56-Q60 PolarHBondContact O-NE2 2.81Å
57	K	91.6	Very high	86.2	Confident	33 Å²	33	58.5 Å²	58.5	14%	0.143	33%	0.325	C	S	.	.	H	α-helix	trans	-74.9	-36.1	177.3	-70.7	-173.7	-173.5	-71.7	0	112.4	E53 I54 Q60 I61 L74 E77 I78 L81	E53-K57 PolarHBondContact O-N 2.9Å; I54-K57 PolarHBondContact O-N 3.38Å; I54-K57 VanDerWaalsContact O-N 3.08Å; K57-Q60 WeakPolarHBondContact O-CB 3.08Å; K57-Q60 PolarHBondContact O-N 3.22Å; K57-Q60 VanDerWaalsContact O-N 3.17Å; K57-I61 PolarHBondContact O-N 2.8Å; K57-L74 HydrophobicContact CG-CD2 4.44Å; K57-E77 HydrophobicContact CD-CB 3.95Å; K57-E77 WeakPolarHBondContact CE-OE2 3.49Å; K57-E77 IonicContact NZ-OE2 3.62Å; K57-E77 PolarHBondContact NZ-OE2 3.3Å; K57-I78 HydrophobicContact CB-CD1 3.99Å; K57-I78 HydrophobicContact CB-CG1 3.57Å; K57-I78 HydrophobicContact CD-CG1 4.38Å; K57-L81 HydrophobicContact CD-CD1 3.74Å
58	I	87.7	Confident	85.8	Confident	9 Å²	9	62.3 Å²	62.3	5%	0.046	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-47.2	172	-70.7	175.6	0	0	0	110	I54 Q60 I61 Q62 I78 L108 E111 F124	I54-I58 HydrophobicContact CG2-CD1 3.65Å; I54-I58 HydrophobicContact CG2-CG1 4.18Å; I54-I58 WeakPolarHBondContact O-CG1 3.4Å; I54-I58 PolarHBondContact O-N 3.2Å; I58-Q60 PolarHBondContact O-N 3.03Å; I58-Q60 VanDerWaalsContact O-N 3.13Å; I58-I61 WeakPolarHBondContact O-CG2 3.25Å; I58-I61 PolarHBondContact O-N 3.03Å; I58-I61 VanDerWaalsContact O-N 3.08Å; I58-Q62 WeakPolarHBondContact O-CG 3.46Å; I58-Q62 PolarHBondContact O-N 2.65Å; I58-I78 HydrophobicContact CG1-CD1 3.9Å; I58-I78 HydrophobicContact CG1-CG1 4.39Å; I58-I78 HydrophobicContact CG1-CG2 4.27Å; I58-L108 HydrophobicContact CD1-CD2 3.77Å; I58-E111 WeakPolarHBondContact CG2-OE2 3.27Å; I58-F124 HydrophobicContact CD1-CD1 4.13Å; I58-F124 HydrophobicContact CD1-CE1 4.34Å; I58-F124 HydrophobicContact CG1-CD1 4.4Å
59	A	85.2	Confident	85.9	Confident	73 Å²	73	65.8 Å²	65.8	60%	0.603	36%	0.356	S	S	*	.	H	α-helix	trans	-57.5	-31.7	175.3	0	0	0	0	0	112.8	A55	A55-A59 WeakPolarHBondContact O-CB 3.13Å; A55-A59 PolarHBondContact O-N 3.23Å
60	Q	86.5	Confident	85.8	Confident	93 Å²	93	68.2 Å²	68.2	44%	0.435	36%	0.364	S	S	.	.	H	α-helix	trans	-72.3	-47.8	173.6	-69.6	169.5	38.6	0	0	111.8	R56 K57 I58 Q62 N63 L66 L74	R56-Q60 WeakPolarHBondContact O-CG 3.46Å; R56-Q60 PolarHBondContact O-N 3.19Å; R56-Q60 PolarHBondContact O-NE2 2.81Å; K57-Q60 WeakPolarHBondContact O-CB 3.08Å; K57-Q60 PolarHBondContact O-N 3.22Å; K57-Q60 VanDerWaalsContact O-N 3.17Å; I58-Q60 PolarHBondContact O-N 3.03Å; I58-Q60 VanDerWaalsContact O-N 3.13Å; Q60-Q62 PolarHBondContact O-N 3.25Å; Q60-Q62 VanDerWaalsContact O-N 3.16Å; Q60-N63 PolarHBondContact O-N 3.24Å; Q60-N63 VanDerWaalsContact O-N 3.12Å; Q60-L66 WeakPolarHBondContact O-CD1 3.46Å; Q60-L74 HydrophobicContact CB-CD1 4.17Å
61	I	88.2	Confident	85.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-65.3	-19.9	-174.4	-150	171.8	0	0	0	114	K57 I58 N63 I71 L74 N75 I78 F124 A126 A127	K57-I61 PolarHBondContact O-N 2.8Å; I58-I61 WeakPolarHBondContact O-CG2 3.25Å; I58-I61 PolarHBondContact O-N 3.03Å; I58-I61 VanDerWaalsContact O-N 3.08Å; I61-N63 PolarHBondContact O-N 3.01Å; I61-I71 HydrophobicContact CD1-CG2 4.28Å; I61-I71 HydrophobicContact CG1-CG2 3.99Å; I61-L74 HydrophobicContact CB-CB 4.49Å; I61-L74 HydrophobicContact CD1-CB 4.04Å; I61-L74 HydrophobicContact CG1-CB 4.15Å; I61-N75 HydrophobicContact CD1-CB 3.67Å; I61-I78 HydrophobicContact CB-CD1 4.24Å; I61-I78 HydrophobicContact CD1-CD1 4.03Å; I61-I78 HydrophobicContact CG2-CD1 4.09Å; I61-F124 HydrophobicContact CG2-CB 3.95Å; I61-A126 WeakPolarHBondContact O-CB 3.43Å; I61-A126 PolarHBondContact O-N 2.94Å; I61-A127 HydrophobicContact CD1-CB 3.9Å
62	Q	83.2	Confident	85.9	Confident	93 Å²	93	71.2 Å²	71.2	44%	0.435	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.7	175.2	-64.7	-64.7	-7.9	0	0	113.3	I58 Q60 P64	I58-Q62 WeakPolarHBondContact O-CG 3.46Å; I58-Q62 PolarHBondContact O-N 2.65Å; Q60-Q62 PolarHBondContact O-N 3.25Å; Q60-Q62 VanDerWaalsContact O-N 3.16Å; Q62-P64 VanDerWaalsContact O-CD 3.24Å; Q62-P64 WeakPolarHBondContact O-CD 3.41Å
63	N	80.7	Confident	86.1	Confident	94 Å²	94	67.6 Å²	67.6	50%	0.503	37%	0.365	S	S	.	.			trans	-84.7	110.8	176.4	-174.8	-11	0	0	0	110.9	Q60 I61 G65 L66	Q60-N63 PolarHBondContact O-N 3.24Å; Q60-N63 VanDerWaalsContact O-N 3.12Å; I61-N63 PolarHBondContact O-N 3.01Å; N63-G65 PolarHBondContact O-N 3.45Å; N63-G65 VanDerWaalsContact O-N 3.15Å; N63-G65 PolarHBondContact OD1-N 3.29Å; N63-L66 HydrophobicContact CB-CD1 4.02Å; N63-L66 HydrophobicContact CB-CG 4.49Å; N63-L66 PolarHBondContact O-N 3.44Å
64	P	80	Confident	86.2	Confident	100 Å²	100	65 Å²	65	65%	0.649	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-66.1	-16.9	-179.6	28	-35	0	0	0	113.4	Q62 L66 A126	Q62-P64 VanDerWaalsContact O-CD 3.24Å; Q62-P64 WeakPolarHBondContact O-CD 3.41Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 2.99Å; P64-A126 HydrophobicContact CB-CB 4.28Å
65	G	81.2	Confident	86.3	Confident	65 Å²	65	65 Å²	65	67%	0.67	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-78	1.1	-178.2	0	0	0	0	0	116	N63 G67	N63-G65 PolarHBondContact O-N 3.45Å; N63-G65 VanDerWaalsContact O-N 3.15Å; N63-G65 PolarHBondContact OD1-N 3.29Å; G65-G67 PolarHBondContact O-N 3.11Å
66	L	79.9	Confident	86.6	Confident	45 Å²	45	65.7 Å²	65.7	24%	0.236	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-71.5	-12.1	-177.8	-83.7	154	0	0	0	114.4	Q60 N63 P64 K70 I71 L74	Q60-L66 WeakPolarHBondContact O-CD1 3.46Å; N63-L66 HydrophobicContact CB-CD1 4.02Å; N63-L66 HydrophobicContact CB-CG 4.49Å; N63-L66 PolarHBondContact O-N 3.44Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 2.99Å; L66-K70 HydrophobicContact CB-CB 4.49Å; L66-K70 HydrophobicContact CB-CD 4.37Å; L66-K70 HydrophobicContact CD2-CD 3.62Å; L66-K70 HydrophobicContact CD2-CG 4.35Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; L66-I71 HydrophobicContact CB-CG1 4.11Å; L66-L74 HydrophobicContact CD1-CD1 4.07Å
67	G	82.3	Confident	86.8	Confident	38 Å²	38	62.3 Å²	62.3	39%	0.392	34%	0.341	S	S	.	.			trans	83.8	141.5	-172.5	0	0	0	0	0	111.7	G65 F69 K70 I71	G65-G67 PolarHBondContact O-N 3.11Å; G67-F69 PolarHBondContact O-N 3.45Å; G67-K70 PolarHBondContact O-N 3.29Å; G67-K70 VanDerWaalsContact O-N 3.13Å; G67-I71 WeakPolarHBondContact O-CG1 3.43Å; G67-I71 PolarHBondContact O-N 3.31Å; G67-I71 VanDerWaalsContact O-N 3.07Å
68	E	83.3	Confident	86.8	Confident	91 Å²	91	60.7 Å²	60.7	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-53.7	-47.3	-172.6	164.7	165.6	-160.5	0	0	113.6	K70 I71 R72 L130	E68-K70 VanDerWaalsContact C-N 3.29Å; E68-K70 PolarHBondContact O-N 3.08Å; E68-I71 PolarHBondContact O-N 3.01Å; E68-R72 WeakPolarHBondContact O-CG 3.27Å; E68-R72 PolarHBondContact O-N 3.11Å; E68-R72 IonicContact OE1-CZ 3.24Å; E68-R72 VanDerWaalsContact OE1-CZ 3.25Å; E68-R72 IonicContact OE1-NE 3.85Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.55Å; E68-R72 PolarHBondContact OE1-NH2 3.3Å; E68-L130 HydrophobicContact CB-CD2 4.12Å; E68-L130 HydrophobicContact CG-CD2 3.67Å
69	F	86.4	Confident	87	Confident	154 Å²	154	60.6 Å²	60.6	68%	0.675	33%	0.333	S	S	*	.	H	α-helix	trans	-57.5	-43.8	-179.9	-177	-98	0	0	0	111.9	G67 R72 D73	G67-F69 PolarHBondContact O-N 3.45Å; F69-R72 PolarHBondContact O-N 3.04Å; F69-D73 WeakPolarHBondContact CE1-OD2 3.48Å; F69-D73 PolarHBondContact O-N 3.4Å
70	K	87.5	Confident	87.3	Confident	103 Å²	103	63.6 Å²	63.6	45%	0.448	33%	0.333	S	S	.	.	H	α-helix	trans	-71.5	-32.8	-179.6	-168.3	169.5	179.9	-174.3	0	112.5	L66 G67 E68 L74	L66-K70 HydrophobicContact CB-CB 4.49Å; L66-K70 HydrophobicContact CB-CD 4.37Å; L66-K70 HydrophobicContact CD2-CD 3.62Å; L66-K70 HydrophobicContact CD2-CG 4.35Å; L66-K70 WeakPolarHBondContact O-CB 3.24Å; G67-K70 PolarHBondContact O-N 3.29Å; G67-K70 VanDerWaalsContact O-N 3.13Å; E68-K70 VanDerWaalsContact C-N 3.29Å; E68-K70 PolarHBondContact O-N 3.08Å; K70-L74 HydrophobicContact CG-CD1 4.33Å; K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.37Å; K70-L74 PolarHBondContact O-N 2.99Å
71	I	89.6	Confident	87.6	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-65.9	-43.7	174	-67.4	168.2	0	0	0	110	I61 L66 G67 E68 L74 N75 A126 A127 L130	I61-I71 HydrophobicContact CD1-CG2 4.28Å; I61-I71 HydrophobicContact CG1-CG2 3.99Å; L66-I71 HydrophobicContact CB-CG1 4.11Å; G67-I71 WeakPolarHBondContact O-CG1 3.43Å; G67-I71 PolarHBondContact O-N 3.31Å; G67-I71 VanDerWaalsContact O-N 3.07Å; E68-I71 PolarHBondContact O-N 3.01Å; I71-L74 PolarHBondContact O-N 2.99Å; I71-N75 WeakPolarHBondContact O-CB 3.26Å; I71-N75 PolarHBondContact O-N 3.2Å; I71-A126 HydrophobicContact CD1-CB 4.1Å; I71-A127 HydrophobicContact CG2-CB 3.73Å; I71-L130 HydrophobicContact CG2-CD1 4.2Å; I71-L130 HydrophobicContact CG2-CD2 4.4Å; I71-L130 HydrophobicContact CG2-CG 4.35Å
72	R	89.4	Confident	87.6	Confident	93 Å²	93	60.8 Å²	60.8	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-59.9	-49.3	175.2	-69.6	176.8	-176.3	-86.2	1.5	111.4	E68 F69 L74 N75 D76 L130	E68-R72 WeakPolarHBondContact O-CG 3.27Å; E68-R72 PolarHBondContact O-N 3.11Å; E68-R72 IonicContact OE1-CZ 3.24Å; E68-R72 VanDerWaalsContact OE1-CZ 3.25Å; E68-R72 IonicContact OE1-NE 3.85Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.55Å; E68-R72 PolarHBondContact OE1-NH2 3.3Å; F69-R72 PolarHBondContact O-N 3.04Å; R72-L74 PolarHBondContact O-N 2.86Å; R72-N75 WeakPolarHBondContact O-CB 3.16Å; R72-N75 PolarHBondContact O-N 3.28Å; R72-D76 PolarHBondContact O-N 2.94Å; R72-L130 HydrophobicContact CG-CD1 3.51Å
73	D	91.2	Very high	88	Confident	66 Å²	66	62.4 Å²	62.4	35%	0.353	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-44.9	177.3	-74.6	-13.5	0	0	0	112.5	F69 N75 D76 E77	F69-D73 WeakPolarHBondContact CE1-OD2 3.48Å; F69-D73 PolarHBondContact O-N 3.4Å; D73-N75 VanDerWaalsContact C-N 3.32Å; D73-N75 PolarHBondContact O-N 3.34Å; D73-D76 PolarHBondContact O-N 3.03Å; D73-E77 WeakPolarHBondContact O-CB 3.33Å; D73-E77 WeakPolarHBondContact O-CG 3.33Å; D73-E77 PolarHBondContact O-N 3.4Å
74	L	91.6	Very high	88.4	Confident	8 Å²	8	60 Å²	60	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-63	-39.9	177.1	-78	172.6	0	0	0	111.6	K57 Q60 I61 L66 K70 I71 R72 E77 I78	K57-L74 HydrophobicContact CG-CD2 4.44Å; Q60-L74 HydrophobicContact CB-CD1 4.17Å; I61-L74 HydrophobicContact CB-CB 4.49Å; I61-L74 HydrophobicContact CD1-CB 4.04Å; I61-L74 HydrophobicContact CG1-CB 4.15Å; L66-L74 HydrophobicContact CD1-CD1 4.07Å; K70-L74 HydrophobicContact CG-CD1 4.33Å; K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.37Å; K70-L74 PolarHBondContact O-N 2.99Å; I71-L74 PolarHBondContact O-N 2.99Å; R72-L74 PolarHBondContact O-N 2.86Å; L74-E77 PolarHBondContact O-N 3.4Å; L74-I78 WeakPolarHBondContact O-CB 3.19Å; L74-I78 WeakPolarHBondContact O-CD1 3.36Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.36Å
75	N	92.4	Very high	89	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.011	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-42.4	177	-161.9	68.6	0	0	0	111.2	I61 I71 R72 D73 I78 N79 Y121 K122 Y123 F124 A127	I61-N75 HydrophobicContact CD1-CB 3.67Å; I71-N75 WeakPolarHBondContact O-CB 3.26Å; I71-N75 PolarHBondContact O-N 3.2Å; R72-N75 WeakPolarHBondContact O-CB 3.16Å; R72-N75 PolarHBondContact O-N 3.28Å; D73-N75 VanDerWaalsContact C-N 3.32Å; D73-N75 PolarHBondContact O-N 3.34Å; N75-I78 PolarHBondContact O-N 2.65Å; N75-N79 PolarHBondContact ND2-ND2 2.92Å; N75-N79 PolarHBondContact O-N 2.89Å; N75-N79 PolarHBondContact O-ND2 3.28Å; N75-Y121 WeakPolarHBondContact ND2-CE1 3.49Å; N75-Y121 PolarHBondContact ND2-OH 2.94Å; N75-Y121 VanDerWaalsContact ND2-OH 3.13Å; N75-K122 PolarHBondContact ND2-O 3.14Å; N75-K122 PolarHBondContact OD1-O 3.46Å; N75-Y123 WeakPolarHBondContact OD1-CA 3.35Å; N75-F124 PolarHBondContact OD1-N 3.44Å; N75-A127 HydrophobicContact CB-CB 4.02Å
76	D	92.2	Very high	89.4	Confident	61 Å²	61	59 Å²	59	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.3	-85.5	-26.9	0	0	0	112.2	R72 D73 N79 K80 Y121	R72-D76 PolarHBondContact O-N 2.94Å; D73-D76 PolarHBondContact O-N 3.03Å; D76-N79 PolarHBondContact O-N 2.73Å; D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.16Å; D76-K80 PolarHBondContact O-N 2.97Å; D76-Y121 VanDerWaalsContact OD1-CE2 3.29Å; D76-Y121 WeakPolarHBondContact OD1-CE2 3.47Å; D76-Y121 VanDerWaalsContact OD1-CZ 3.26Å; D76-Y121 PolarHBondContact OD1-OH 2.95Å
77	E	93	Very high	89.9	Confident	79 Å²	79	62.3 Å²	62.3	37%	0.369	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-41.2	176.5	-73.8	-179.7	163.4	0	0	112.1	K57 D73 L74 K80 L81	K57-E77 HydrophobicContact CD-CB 3.95Å; K57-E77 WeakPolarHBondContact CE-OE2 3.49Å; K57-E77 IonicContact NZ-OE2 3.62Å; K57-E77 PolarHBondContact NZ-OE2 3.3Å; D73-E77 WeakPolarHBondContact O-CB 3.33Å; D73-E77 WeakPolarHBondContact O-CG 3.33Å; D73-E77 PolarHBondContact O-N 3.4Å; L74-E77 PolarHBondContact O-N 3.4Å; E77-K80 PolarHBondContact O-N 3.09Å; E77-L81 WeakPolarHBondContact O-CG 3.29Å; E77-L81 PolarHBondContact O-N 3.2Å
78	I	91.9	Very high	90.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-47.1	174.9	-69.5	161.8	0	0	0	110.1	I54 K57 I58 I61 L74 N75 K80 L81 L82 F124	I54-I78 HydrophobicContact CG2-CG2 4.3Å; K57-I78 HydrophobicContact CB-CD1 3.99Å; K57-I78 HydrophobicContact CB-CG1 3.57Å; K57-I78 HydrophobicContact CD-CG1 4.38Å; I58-I78 HydrophobicContact CG1-CD1 3.9Å; I58-I78 HydrophobicContact CG1-CG1 4.39Å; I58-I78 HydrophobicContact CG1-CG2 4.27Å; I61-I78 HydrophobicContact CB-CD1 4.24Å; I61-I78 HydrophobicContact CD1-CD1 4.03Å; I61-I78 HydrophobicContact CG2-CD1 4.09Å; L74-I78 WeakPolarHBondContact O-CB 3.19Å; L74-I78 WeakPolarHBondContact O-CD1 3.36Å; L74-I78 WeakPolarHBondContact O-CG1 3.42Å; L74-I78 PolarHBondContact O-N 3.36Å; N75-I78 PolarHBondContact O-N 2.65Å; I78-K80 VanDerWaalsContact C-N 3.34Å; I78-K80 PolarHBondContact O-N 3.02Å; I78-L81 PolarHBondContact O-N 2.88Å; I78-L82 HydrophobicContact CG2-CD1 3.96Å; I78-L82 HydrophobicContact CG2-CG 4.42Å; I78-L82 WeakPolarHBondContact O-CG 3.35Å; I78-L82 PolarHBondContact O-N 3.49Å; I78-F124 HydrophobicContact CB-CD2 4.36Å; I78-F124 HydrophobicContact CG2-CD2 3.6Å; I78-F124 HydrophobicContact CG2-CE2 3.52Å; I78-F124 HydrophobicContact CG2-CG 4.25Å; I78-F124 HydrophobicContact CG2-CZ 4.11Å
79	N	91.1	Very high	90.8	Very high	7 Å²	7	57 Å²	57	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-37.3	177.4	-78.1	-67.9	0	0	0	112.4	N75 D76 L82 K83 Y121 K122	N75-N79 PolarHBondContact ND2-ND2 2.92Å; N75-N79 PolarHBondContact O-N 2.89Å; N75-N79 PolarHBondContact O-ND2 3.28Å; D76-N79 PolarHBondContact O-N 2.73Å; N79-L82 PolarHBondContact O-N 2.7Å; N79-K83 WeakPolarHBondContact O-CG 3.46Å; N79-K83 PolarHBondContact O-N 3.43Å; N79-K83 VanDerWaalsContact O-N 3.16Å; N79-Y121 HydrophobicContact CB-CD2 4.2Å; N79-Y121 HydrophobicContact CB-CE2 4Å; N79-K122 PolarHBondContact ND2-O 3.08Å; N79-K122 PolarHBondContact OD1-N 3.04Å; N79-K122 PolarHBondContact OD1-O 3.01Å
80	K	92.5	Very high	91	Very high	135 Å²	135	52 Å²	52	59%	0.587	24%	0.241	S	C	*	.	H	α-helix	trans	-62.9	-46.1	172.4	-74.5	170.8	-173.7	170.2	0	111.4	D76 E77 I78 L82 K83 T84	D76-K80 WeakPolarHBondContact O-CB 3.49Å; D76-K80 VanDerWaalsContact O-CG 3.3Å; D76-K80 WeakPolarHBondContact O-CG 3.16Å; D76-K80 PolarHBondContact O-N 2.97Å; E77-K80 PolarHBondContact O-N 3.09Å; I78-K80 VanDerWaalsContact C-N 3.34Å; I78-K80 PolarHBondContact O-N 3.02Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.17Å; K80-K83 WeakPolarHBondContact O-CB 3.47Å; K80-K83 PolarHBondContact O-N 3.24Å; K80-T84 PolarHBondContact O-N 3.48Å; K80-T84 PolarHBondContact O-OG1 3.37Å; K80-T84 VanDerWaalsContact O-OG1 3.11Å
81	L	91.9	Very high	91.1	Very high	12 Å²	12	48.9 Å²	48.9	6%	0.063	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-34.7	177.8	-71.6	171.6	0	0	0	112.5	V50 E53 I54 K57 E77 I78 K83 T84 K85	V50-L81 HydrophobicContact CG1-CB 4.26Å; V50-L81 HydrophobicContact CG1-CD2 4.24Å; V50-L81 WeakPolarHBondContact CG1-O 3.28Å; E53-L81 HydrophobicContact CB-CD1 4.05Å; E53-L81 HydrophobicContact CG-CD1 3.68Å; E53-L81 HydrophobicContact CG-CD2 4.44Å; E53-L81 WeakPolarHBondContact OE2-CD2 3.5Å; I54-L81 HydrophobicContact CD1-CB 4.02Å; I54-L81 HydrophobicContact CG1-CB 3.48Å; I54-L81 VanDerWaalsContact CG1-CB 3.48Å; I54-L81 HydrophobicContact CG1-CD1 4.1Å; I54-L81 HydrophobicContact CG1-CG 4.44Å; K57-L81 HydrophobicContact CD-CD1 3.74Å; E77-L81 WeakPolarHBondContact O-CG 3.29Å; E77-L81 PolarHBondContact O-N 3.2Å; I78-L81 PolarHBondContact O-N 2.88Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.4Å; L81-T84 CarbonylContact O-C 3.57Å; L81-T84 WeakPolarHBondContact O-CB 3.28Å; L81-T84 PolarHBondContact O-N 3.49Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 2.9Å
82	L	89.1	Confident	91.2	Very high	22 Å²	22	48.5 Å²	48.5	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-39.7	173.9	-75.6	166.9	0	0	0	111.5	I54 I78 N79 K80 K85 Y86 F124	I54-L82 HydrophobicContact CD1-CD2 3.88Å; I54-L82 HydrophobicContact CD1-CG 4.17Å; I78-L82 HydrophobicContact CG2-CD1 3.96Å; I78-L82 HydrophobicContact CG2-CG 4.42Å; I78-L82 WeakPolarHBondContact O-CG 3.35Å; I78-L82 PolarHBondContact O-N 3.49Å; N79-L82 PolarHBondContact O-N 2.7Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 3.17Å; L82-K85 WeakPolarHBondContact O-CB 3.49Å; L82-K85 PolarHBondContact O-N 3.17Å; L82-Y86 PolarHBondContact O-N 3.24Å; L82-F124 HydrophobicContact CD1-CE2 3.71Å; L82-F124 HydrophobicContact CD1-CZ 3.42Å; L82-F124 VanDerWaalsContact CD1-CZ 3.42Å
83	K	89.9	Confident	91.2	Very high	127 Å²	127	46.3 Å²	46.3	55%	0.552	22%	0.222	S	C	*	.	H	α-helix	trans	-63.2	-45	170.7	-68.3	177	-178.5	-178.8	0	111.3	N79 K80 L81 K85 Y86 H87	N79-K83 WeakPolarHBondContact O-CG 3.46Å; N79-K83 PolarHBondContact O-N 3.43Å; N79-K83 VanDerWaalsContact O-N 3.16Å; K80-K83 WeakPolarHBondContact O-CB 3.47Å; K80-K83 PolarHBondContact O-N 3.24Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.4Å; K83-K85 VanDerWaalsContact C-N 3.33Å; K83-K85 PolarHBondContact O-N 3.42Å; K83-Y86 WeakPolarHBondContact O-CB 3.23Å; K83-Y86 PolarHBondContact O-N 3.45Å; K83-H87 PolarHBondContact O-CD2 3.43Å; K83-H87 PolarHBondContact O-N 3.31Å
84	T	90.3	Very high	91.1	Very high	43 Å²	43	49.1 Å²	49.1	26%	0.264	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-41.8	175.5	-51.4	0	0	0	0	112	V50 K80 L81 Y86 H87 W88	V50-T84 HydrophobicContact CG2-CG2 4.27Å; K80-T84 PolarHBondContact O-N 3.48Å; K80-T84 PolarHBondContact O-OG1 3.37Å; K80-T84 VanDerWaalsContact O-OG1 3.11Å; L81-T84 CarbonylContact O-C 3.57Å; L81-T84 WeakPolarHBondContact O-CB 3.28Å; L81-T84 PolarHBondContact O-N 3.49Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.01Å; T84-H87 PolarHBondContact O-N 3.47Å; T84-W88 PolarHBondContact O-N 3.12Å
85	K	91.4	Very high	91.1	Very high	29 Å²	29	50.9 Å²	50.9	13%	0.126	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-47	175.2	-172.8	-156.4	72.8	170.6	0	110.3	V50 I51 I54 L81 L82 K83 H87 W88 E89	V50-K85 HydrophobicContact CG1-CB 3.87Å; I51-K85 HydrophobicContact CD1-CD 4.26Å; I51-K85 HydrophobicContact CD1-CG 4.43Å; I51-K85 HydrophobicContact CG1-CD 3.83Å; I51-K85 HydrophobicContact CG1-CG 3.98Å; I54-K85 HydrophobicContact CD1-CB 4.19Å; I54-K85 HydrophobicContact CD1-CD 4.39Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 2.9Å; L82-K85 WeakPolarHBondContact O-CB 3.49Å; L82-K85 PolarHBondContact O-N 3.17Å; K83-K85 VanDerWaalsContact C-N 3.33Å; K83-K85 PolarHBondContact O-N 3.42Å; K85-H87 VanDerWaalsContact C-N 3.35Å; K85-H87 PolarHBondContact O-N 3.26Å; K85-W88 PolarHBondContact O-N 3.16Å; K85-E89 VanDerWaalsContact CE-OE1 3.29Å; K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact CE-OE2 3.38Å; K85-E89 IonicContact NZ-OE1 2.62Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.07Å
86	Y	89.4	Confident	90.7	Very high	117 Å²	117	54.1 Å²	54.1	46%	0.459	28%	0.276	S	S	.	.	H	α-helix	trans	-58.9	-44	176.3	177.3	-101.2	0	0	0	112.1	L82 K83 T84 W88 E89 V90	L82-Y86 PolarHBondContact O-N 3.24Å; K83-Y86 WeakPolarHBondContact O-CB 3.23Å; K83-Y86 PolarHBondContact O-N 3.45Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.01Å; Y86-W88 VanDerWaalsContact C-N 3.34Å; Y86-W88 PolarHBondContact O-N 2.91Å; Y86-E89 PolarHBondContact O-N 3.49Å; Y86-V90 HydrophobicContact CD1-CG2 4.2Å; Y86-V90 HydrophobicContact CD2-CG2 4.45Å; Y86-V90 HydrophobicContact CE1-CG2 3.77Å; Y86-V90 HydrophobicContact CE2-CG2 4.05Å; Y86-V90 VanDerWaalsContact O-CG2 3.28Å; Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 3.43Å
87	H	91.3	Very high	90.6	Very high	113 Å²	113	52 Å²	52	52%	0.523	27%	0.269	S	S	.	.	H	α-helix	trans	-61.7	-39	175.8	-71.4	-63.4	0	0	0	113.1	A34 K83 T84 K85 R91	A34-H87 HydrophobicContact CB-CB 4.46Å; K83-H87 PolarHBondContact O-CD2 3.43Å; K83-H87 PolarHBondContact O-N 3.31Å; T84-H87 PolarHBondContact O-N 3.47Å; K85-H87 VanDerWaalsContact C-N 3.35Å; K85-H87 PolarHBondContact O-N 3.26Å; H87-R91 WeakPolarHBondContact O-CB 3.39Å; H87-R91 PolarHBondContact O-N 2.9Å
88	W	92.5	Very high	90.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.015	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-38.5	173.9	-76.8	107.5	0	0	0	112.6	R30 P31 A34 C37 A43 W46 R47 T84 K85 Y86 R91 I92	R30-W88 HydrophobicContact CG-CZ2 3.61Å; P31-W88 HydrophobicContact CG-CH2 3.69Å; P31-W88 HydrophobicContact CG-CZ2 4.04Å; A34-W88 HydrophobicContact CB-CD2 3.83Å; A34-W88 HydrophobicContact CB-CE3 3.91Å; A34-W88 HydrophobicContact CB-CG 4.39Å; A34-W88 HydrophobicContact CB-CH2 4.19Å; A34-W88 HydrophobicContact CB-CZ2 4.09Å; A34-W88 HydrophobicContact CB-CZ3 4.09Å; C37-W88 HydrophobicContact CB-CH2 3.84Å; C37-W88 HydrophobicContact CB-CZ3 3.69Å; A43-W88 HydrophobicContact CB-CE3 4Å; A43-W88 HydrophobicContact CB-CZ3 3.94Å; W46-W88 HydrophobicContact CB-CD2 3.92Å; W46-W88 HydrophobicContact CB-CE3 4.03Å; W46-W88 HydrophobicContact CB-CH2 3.9Å; W46-W88 HydrophobicContact CB-CZ2 3.8Å; W46-W88 HydrophobicContact CB-CZ3 4.02Å; W46-W88 AromaticContact CD1-CH2 3.43Å; W46-W88 VanDerWaalsContact CD1-CH2 3.43Å; W46-W88 AromaticContact CD1-CZ3 3.76Å; W46-W88 AromaticContact CG-CH2 3.85Å; W46-W88 HydrophobicContact CG-CH2 3.85Å; W46-W88 HydrophobicContact CG-CZ2 4.01Å; W46-W88 HydrophobicContact CG-CZ3 4.24Å; R47-W88 HydrophobicContact CB-CB 4.03Å; R47-W88 HydrophobicContact CG-CB 4.5Å; T84-W88 PolarHBondContact O-N 3.12Å; K85-W88 PolarHBondContact O-N 3.16Å; Y86-W88 VanDerWaalsContact C-N 3.34Å; Y86-W88 PolarHBondContact O-N 2.91Å; W88-R91 PolarHBondContact O-N 2.8Å; W88-I92 WeakPolarHBondContact O-CB 3.45Å; W88-I92 VanDerWaalsContact O-CD1 3.29Å; W88-I92 WeakPolarHBondContact O-CD1 2.98Å; W88-I92 WeakPolarHBondContact O-CG1 3.42Å; W88-I92 PolarHBondContact O-N 2.71Å
89	E	91.3	Very high	89.9	Confident	14 Å²	14	53 Å²	53	7%	0.065	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-45	175.3	-73.3	171	169.1	0	0	111.5	R47 K85 Y86 I92 C93 Y100	R47-E89 HydrophobicContact CG-CG 4.3Å; R47-E89 IonicContact CZ-OE1 3.9Å; R47-E89 VanDerWaalsContact CZ-OE1 3.23Å; R47-E89 IonicContact NE-OE1 3.01Å; R47-E89 PolarHBondContact NE-OE1 2.98Å; R47-E89 IonicContact NH2-OE1 3.93Å; R47-E89 PolarHBondContact NH2-OE1 3.08Å; K85-E89 VanDerWaalsContact CE-OE1 3.29Å; K85-E89 WeakPolarHBondContact CE-OE1 3.34Å; K85-E89 WeakPolarHBondContact CE-OE2 3.38Å; K85-E89 IonicContact NZ-OE1 2.62Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.07Å; Y86-E89 PolarHBondContact O-N 3.49Å; E89-I92 PolarHBondContact O-N 3.39Å; E89-C93 PolarHBondContact O-N 3.1Å; E89-C93 PolarHBondContact O-SG 2.89Å; E89-C93 VanDerWaalsContact O-SG 3.33Å; E89-Y100 HydrophobicContact CG-CD2 4.44Å
90	V	90.5	Very high	89.6	Confident	50 Å²	50	54.8 Å²	54.8	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-46.1	173.8	176	0	0	0	0	110.8	Y86 I92 C93 E94	Y86-V90 HydrophobicContact CD1-CG2 4.2Å; Y86-V90 HydrophobicContact CD2-CG2 4.45Å; Y86-V90 HydrophobicContact CE1-CG2 3.77Å; Y86-V90 HydrophobicContact CE2-CG2 4.05Å; Y86-V90 VanDerWaalsContact O-CG2 3.28Å; Y86-V90 WeakPolarHBondContact O-CG2 3.47Å; Y86-V90 PolarHBondContact O-N 3.43Å; V90-I92 VanDerWaalsContact C-N 3.29Å; V90-I92 PolarHBondContact O-N 2.83Å; V90-C93 WeakPolarHBondContact O-CB 3.4Å; V90-C93 PolarHBondContact O-N 2.96Å; V90-E94 HydrophobicContact CG1-CG 4.5Å; V90-E94 WeakPolarHBondContact O-CG 3.23Å; V90-E94 PolarHBondContact O-N 2.87Å
91	R	90	Very high	89	Confident	37 Å²	37	55.1 Å²	55.1	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-61.7	-38.3	178.3	-176.8	58.5	177.1	163.7	0.6	112.4	A34 C37 N38 H87 W88 E94 L95	A34-R91 HydrophobicContact CB-CB 4.13Å; A34-R91 HydrophobicContact CB-CG 4.46Å; A34-R91 WeakPolarHBondContact O-CG 3.32Å; C37-R91 PolarHBondContact O-NE 3.01Å; C37-R91 PolarHBondContact O-NH2 3.14Å; N38-R91 PolarHBondContact OD1-NH2 3.43Å; H87-R91 WeakPolarHBondContact O-CB 3.39Å; H87-R91 PolarHBondContact O-N 2.9Å; W88-R91 PolarHBondContact O-N 2.8Å; R91-E94 WeakPolarHBondContact CD-OE2 3.47Å; R91-E94 IonicContact CZ-OE2 2.68Å; R91-E94 IonicContact NH1-OE2 2.76Å; R91-E94 PolarHBondContact NH1-OE2 2.81Å; R91-E94 PolarHBondContact O-N 2.79Å; R91-L95 HydrophobicContact CG-CD1 4.14Å; R91-L95 HydrophobicContact CG-CG 4.47Å; R91-L95 VanDerWaalsContact O-CG 3.31Å; R91-L95 WeakPolarHBondContact O-CG 3.45Å; R91-L95 PolarHBondContact O-N 2.81Å
92	I	92.3	Very high	88.4	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-43.8	176.5	-72.1	158.7	0	0	0	110.3	L40 A43 E44 R47 W88 E89 V90 E94 L95 G96 G97 Y100	L40-I92 HydrophobicContact CD1-CB 4.43Å; L40-I92 HydrophobicContact CD1-CG2 3.76Å; A43-I92 HydrophobicContact CB-CG1 3.72Å; E44-I92 HydrophobicContact CB-CD1 4.46Å; E44-I92 HydrophobicContact CG-CD1 3.97Å; E44-I92 HydrophobicContact CG-CG1 4.12Å; E44-I92 HydrophobicContact CG-CG2 4.19Å; R47-I92 HydrophobicContact CB-CD1 3.73Å; R47-I92 HydrophobicContact CG-CD1 4.25Å; W88-I92 WeakPolarHBondContact O-CB 3.45Å; W88-I92 VanDerWaalsContact O-CD1 3.29Å; W88-I92 WeakPolarHBondContact O-CD1 2.98Å; W88-I92 WeakPolarHBondContact O-CG1 3.42Å; W88-I92 PolarHBondContact O-N 2.71Å; E89-I92 PolarHBondContact O-N 3.39Å; V90-I92 VanDerWaalsContact C-N 3.29Å; V90-I92 PolarHBondContact O-N 2.83Å; I92-E94 PolarHBondContact O-N 3.3Å; I92-L95 PolarHBondContact O-N 3.03Å; I92-G96 PolarHBondContact O-N 3.32Å; I92-G97 VanDerWaalsContact O-CA 3.26Å; I92-G97 WeakPolarHBondContact O-CA 3.1Å; I92-G97 PolarHBondContact O-N 3.29Å; I92-Y100 HydrophobicContact CD1-CD2 4.29Å; I92-Y100 HydrophobicContact CD1-CE2 4.03Å; I92-Y100 HydrophobicContact CG2-CD2 4.2Å; I92-Y100 HydrophobicContact CG2-CE2 3.87Å
93	C	89.6	Confident	87.8	Confident	47 Å²	47	69.2 Å²	69.2	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-44	173.1	-66	0	0	0	0	112.3	E89 V90 L95 G96 D99	E89-C93 PolarHBondContact O-N 3.1Å; E89-C93 PolarHBondContact O-SG 2.89Å; E89-C93 VanDerWaalsContact O-SG 3.33Å; V90-C93 WeakPolarHBondContact O-CB 3.4Å; V90-C93 PolarHBondContact O-N 2.96Å; C93-L95 VanDerWaalsContact C-N 3.3Å; C93-L95 PolarHBondContact O-N 2.97Å; C93-G96 PolarHBondContact O-N 2.94Å; C93-G96 VanDerWaalsContact O-N 3.08Å; C93-D99 VanDerWaalsContact SG-CA 3.51Å
94	E	89.8	Confident	87	Confident	124 Å²	124	64.3 Å²	64.3	58%	0.579	33%	0.329	S	S	*	.	H	α-helix	trans	-61.8	-35.3	177.4	-72.2	172.8	-176.6	0	0	112.9	V90 R91 I92 G96	V90-E94 HydrophobicContact CG1-CG 4.5Å; V90-E94 WeakPolarHBondContact O-CG 3.23Å; V90-E94 PolarHBondContact O-N 2.87Å; R91-E94 WeakPolarHBondContact CD-OE2 3.47Å; R91-E94 IonicContact CZ-OE2 2.68Å; R91-E94 IonicContact NH1-OE2 2.76Å; R91-E94 PolarHBondContact NH1-OE2 2.81Å; R91-E94 PolarHBondContact O-N 2.79Å; I92-E94 PolarHBondContact O-N 3.3Å; E94-G96 PolarHBondContact O-N 3.15Å
95	L	90.5	Very high	85.8	Confident	46 Å²	46	66.8 Å²	66.8	24%	0.241	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	8.4	176.4	-66.7	174.7	0	0	0	113.2	L40 A43 R91 I92 C93	L40-L95 HydrophobicContact CB-CB 4.34Å; L40-L95 HydrophobicContact CD1-CB 4.08Å; A43-L95 HydrophobicContact CB-CD1 4.03Å; R91-L95 HydrophobicContact CG-CD1 4.14Å; R91-L95 HydrophobicContact CG-CG 4.47Å; R91-L95 VanDerWaalsContact O-CG 3.31Å; R91-L95 WeakPolarHBondContact O-CG 3.45Å; R91-L95 PolarHBondContact O-N 2.81Å; I92-L95 PolarHBondContact O-N 3.03Å; C93-L95 VanDerWaalsContact C-N 3.3Å; C93-L95 PolarHBondContact O-N 2.97Å
96	G	85.2	Confident	84.6	Confident	69 Å²	69	72.8 Å²	72.8	71%	0.711	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	16.1	-178.8	0	0	0	0	0	114.3	I92 C93 E94	I92-G96 PolarHBondContact O-N 3.32Å; C93-G96 PolarHBondContact O-N 2.94Å; C93-G96 VanDerWaalsContact O-N 3.08Å; E94-G96 PolarHBondContact O-N 3.15Å
97	G	88.1	Confident	83	Confident	17 Å²	17	73.9 Å²	73.9	18%	0.175	38%	0.383	C	S	.	.			trans	-84	177.1	175	0	0	0	0	0	114.2	I92	I92-G97 VanDerWaalsContact O-CA 3.26Å; I92-G97 WeakPolarHBondContact O-CA 3.1Å; I92-G97 PolarHBondContact O-N 3.29Å
98	P	85.8	Confident	81.3	Confident	49 Å²	49	70.1 Å²	70.1	32%	0.318	37%	0.366	S	S	.	.			trans	-68.9	140	-175.9	26.4	-33.8	0	0	0	113.4	Y100 I103	P98-Y100 HydrophobicContact CG-CD2 4.48Å; P98-Y100 HydrophobicContact CG-CE1 4.18Å; P98-Y100 HydrophobicContact CG-CE2 3.8Å; P98-Y100 WeakPolarHBondContact O-CD2 3.47Å; P98-Y100 PolarHBondContact O-N 3.3Å; P98-I103 HydrophobicContact CB-CD1 3.97Å
99	D	85.6	Confident	79.7	Confident	52 Å²	52	72.4 Å²	72.4	28%	0.278	38%	0.378	S	S	.	.			trans	-74.3	86	174.6	-173.9	4.7	0	0	0	111.9	C93 K101 R102 I103	C93-D99 VanDerWaalsContact SG-CA 3.51Å; D99-K101 PolarHBondContact O-N 3.31Å; D99-K101 VanDerWaalsContact O-N 3.1Å; D99-K101 WeakPolarHBondContact OD1-CB 3.39Å; D99-K101 PolarHBondContact OD1-N 3.47Å; D99-R102 PolarHBondContact O-N 3.12Å; D99-R102 WeakPolarHBondContact OD2-CD 3.15Å; D99-R102 WeakPolarHBondContact OD2-CG 3.33Å; D99-R102 IonicContact OD2-NE 3.06Å; D99-R102 PolarHBondContact OD2-NE 3.16Å; D99-I103 WeakPolarHBondContact O-CG1 3.26Å; D99-I103 PolarHBondContact O-N 2.9Å
100	Y	84.5	Confident	78.2	Confident	43 Å²	43	82.6 Å²	82.6	17%	0.169	42%	0.416	C	S	.	.	H	α-helix	trans	-60.6	-15.5	176.7	-71.4	-63.4	0	0	0	113.7	E44 R47 E89 I92 P98 R102 A104	E44-Y100 HydrophobicContact CG-CE2 4.48Å; E44-Y100 PolarHBondContact OE1-OH 3.44Å; R47-Y100 VanDerWaalsContact NH1-CE1 3.25Å; E89-Y100 HydrophobicContact CG-CD2 4.44Å; I92-Y100 HydrophobicContact CD1-CD2 4.29Å; I92-Y100 HydrophobicContact CD1-CE2 4.03Å; I92-Y100 HydrophobicContact CG2-CD2 4.2Å; I92-Y100 HydrophobicContact CG2-CE2 3.87Å; P98-Y100 HydrophobicContact CG-CD2 4.48Å; P98-Y100 HydrophobicContact CG-CE1 4.18Å; P98-Y100 HydrophobicContact CG-CE2 3.8Å; P98-Y100 WeakPolarHBondContact O-CD2 3.47Å; P98-Y100 PolarHBondContact O-N 3.3Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-A104 HydrophobicContact CD1-CB 4.12Å; Y100-A104 WeakPolarHBondContact O-CA 3.42Å; Y100-A104 WeakPolarHBondContact O-CB 3.44Å; Y100-A104 PolarHBondContact O-N 3.08Å
101	K	80.8	Confident	76.9	Confident	142 Å²	142	84.2 Å²	84.2	62%	0.617	42%	0.421	S	S	*	.	H	α-helix	trans	-69.2	-32.3	173.2	-170.3	179.9	177.9	179.7	0	112	D99	D99-K101 PolarHBondContact O-N 3.31Å; D99-K101 VanDerWaalsContact O-N 3.1Å; D99-K101 WeakPolarHBondContact OD1-CB 3.39Å; D99-K101 PolarHBondContact OD1-N 3.47Å
102	R	77.9	Confident	76.2	Confident	218 Å²	218	83 Å²	83	82%	0.823	42%	0.419	S	S	*	.	H	α-helix	trans	-90	-42.6	177	-66.7	179.5	-174.7	-151.9	-2.1	111.8	D99 Y100	D99-R102 PolarHBondContact O-N 3.12Å; D99-R102 WeakPolarHBondContact OD2-CD 3.15Å; D99-R102 WeakPolarHBondContact OD2-CG 3.33Å; D99-R102 IonicContact OD2-NE 3.06Å; D99-R102 PolarHBondContact OD2-NE 3.16Å; Y100-R102 VanDerWaalsContact C-N 3.3Å
103	I	77.8	Confident	75.6	Confident	113 Å²	113	90.2 Å²	90.2	58%	0.579	45%	0.447	S	S	*	.	H	α-helix	trans	-89	-37.1	-169	-59.4	163.9	0	0	0	111.8	P98 D99	P98-I103 HydrophobicContact CB-CD1 3.97Å; D99-I103 WeakPolarHBondContact O-CG1 3.26Å; D99-I103 PolarHBondContact O-N 2.9Å
104	A	71.4	Confident	75.2	Confident	24 Å²	24	91.7 Å²	91.7	20%	0.198	45%	0.449	C	S	.	.	S	Bend	trans	-72.5	134.1	-171.5	0	0	0	0	0	110.9	Y100 K106	Y100-A104 HydrophobicContact CD1-CB 4.12Å; Y100-A104 WeakPolarHBondContact O-CA 3.42Å; Y100-A104 WeakPolarHBondContact O-CB 3.44Å; Y100-A104 PolarHBondContact O-N 3.08Å; A104-K106 PolarHBondContact O-N 3.27Å
105	P	66.6	Low	74.6	Confident	95 Å²	95	86.2 Å²	86.2	62%	0.617	42%	0.424	S	S	*	.			trans	-54.2	127.2	171.9	-24.7	33.5	0	0	0	110.3	M107	P105-M107 HydrophobicContact CB-CB 4.44Å; P105-M107 HydrophobicContact CB-CE 4.07Å; P105-M107 HydrophobicContact CB-CG 3.46Å; P105-M107 VanDerWaalsContact CB-CG 3.46Å; P105-M107 PolarHBondContact O-N 3.17Å
106	K	66.4	Low	73.6	Confident	155 Å²	155	88.8 Å²	88.8	67%	0.674	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	34.2	173.1	-68.1	-174.7	-176.8	175.4	0	112.5	A104 L108 D109 R110	A104-K106 PolarHBondContact O-N 3.27Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.13Å; K106-D109 HydrophobicContact CB-CB 4.22Å; K106-D109 PolarHBondContact O-N 2.98Å; K106-D109 VanDerWaalsContact O-N 3.12Å; K106-R110 PolarHBondContact O-N 3.37Å
107	M	54	Low	72.9	Confident	140 Å²	140	89.1 Å²	89.1	69%	0.69	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-42.7	-173.8	-69.1	-74.1	172	0	0	111.4	P105	P105-M107 HydrophobicContact CB-CB 4.44Å; P105-M107 HydrophobicContact CB-CE 4.07Å; P105-M107 HydrophobicContact CB-CG 3.46Å; P105-M107 VanDerWaalsContact CB-CG 3.46Å; P105-M107 PolarHBondContact O-N 3.17Å
108	L	57.3	Low	72.1	Confident	34 Å²	34	93 Å²	93	18%	0.178	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-28	178.4	-68.5	168.5	0	0	0	113.1	I51 I54 I58 K106 R110	I51-L108 HydrophobicContact CG2-CD1 4.18Å; I54-L108 HydrophobicContact CG2-CD1 4.15Å; I54-L108 HydrophobicContact CG2-CD2 4.07Å; I58-L108 HydrophobicContact CD1-CD2 3.77Å; K106-L108 VanDerWaalsContact C-N 3.33Å; K106-L108 PolarHBondContact O-N 3.13Å; L108-R110 VanDerWaalsContact C-N 3.34Å
109	D	58.4	Low	71.3	Confident	51 Å²	51	102.2 Å²	102.2	27%	0.273	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-24.1	-179.1	-76.3	-32.7	0	0	0	112.4	K106 E111 G112 K122	K106-D109 HydrophobicContact CB-CB 4.22Å; K106-D109 PolarHBondContact O-N 2.98Å; K106-D109 VanDerWaalsContact O-N 3.12Å; D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.31Å; D109-G112 PolarHBondContact O-N 3.33Å; D109-K122 IonicContact OD1-NZ 3Å; D109-K122 PolarHBondContact OD1-NZ 3.4Å; D109-K122 IonicContact OD2-NZ 3.23Å
110	R	59	Low	70.9	Confident	228 Å²	228	102 Å²	102	86%	0.86	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.5	-179	-165.5	176.4	-179.4	-174.6	-0.4	112.5	K106 L108	K106-R110 PolarHBondContact O-N 3.37Å; L108-R110 VanDerWaalsContact C-N 3.34Å
111	E	64.2	Low	71	Confident	85 Å²	85	103 Å²	103	40%	0.397	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-26.1	179.8	-69.1	-170.6	-164.2	0	0	113.6	I58 D109 F124 K128	I58-E111 WeakPolarHBondContact CG2-OE2 3.27Å; D109-E111 VanDerWaalsContact C-N 3.27Å; D109-E111 PolarHBondContact O-N 3.31Å; E111-F124 HydrophobicContact CB-CD1 4.3Å; E111-K128 VanDerWaalsContact O-CE 3.25Å; E111-K128 WeakPolarHBondContact O-CE 3.39Å; E111-K128 PolarHBondContact O-NZ 2.62Å
112	G	74.9	Confident	71.3	Confident	11 Å²	11	97.7 Å²	97.7	11%	0.113	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.1	-179.7	0	0	0	0	0	112.1	D109 Y123 F124	D109-G112 PolarHBondContact O-N 3.33Å; G112-Y123 WeakPolarHBondContact CA-O 3.33Å; G112-F124 VanDerWaalsContact CA-CD1 3.49Å
113	R	80.3	Confident	71.9	Confident	151 Å²	151	89.2 Å²	89.2	57%	0.57	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	136.9	169.4	-74.3	-172.5	-179.7	-172.3	1.2	110.3	Y123 K128 F137	R113-Y123 PolarHBondContact N-O 3.4Å; R113-Y123 PolarHBondContact O-N 3.15Å; R113-K128 HydrophobicContact CB-CD 4.39Å; R113-K128 HydrophobicContact CG-CD 4.38Å; R113-F137 HydrophobicContact CB-CD1 4.42Å; R113-F137 HydrophobicContact CB-CE1 3.52Å; R113-F137 HydrophobicContact CB-CZ 3.57Å
114	E	81.1	Confident	72.3	Confident	78 Å²	78	83.9 Å²	83.9	36%	0.364	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.2	172.7	-63	-174.5	-164.9	0	0	109.1	G120 K122 F137	E114-G120 PolarHBondContact OE2-N 3.33Å; E114-K122 HydrophobicContact CG-CD 4.4Å; E114-K122 HydrophobicContact CG-CG 3.48Å; E114-K122 VanDerWaalsContact CG-CG 3.48Å; E114-K122 WeakPolarHBondContact OE1-CE 2.9Å; E114-K122 IonicContact OE1-NZ 3.8Å; E114-F137 WeakPolarHBondContact O-CE1 3.39Å
115	V	76.2	Confident	73.1	Confident	9 Å²	9	83.2 Å²	83.2	6%	0.055	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-74.5	139	176.9	-168.7	0	0	0	0	108.7	G117 N118 Y123 L136 F137	V115-G117 PolarHBondContact O-N 3.13Å; V115-G117 VanDerWaalsContact O-N 3.11Å; V115-N118 PolarHBondContact O-N 3.33Å; V115-N118 VanDerWaalsContact O-N 3.09Å; V115-Y123 HydrophobicContact CG2-CD2 3.64Å; V115-Y123 HydrophobicContact CG2-CE2 3.43Å; V115-Y123 VanDerWaalsContact CG2-CE2 3.43Å; V115-L136 HydrophobicContact CG1-CB 3.42Å; V115-L136 VanDerWaalsContact CG1-CB 3.42Å; V115-L136 HydrophobicContact CG1-CD1 3.9Å; V115-L136 HydrophobicContact CG1-CG 4.18Å; V115-F137 HydrophobicContact CG2-CE1 4.24Å; V115-F137 HydrophobicContact CG2-CE2 4.22Å; V115-F137 HydrophobicContact CG2-CZ 3.79Å
116	P	70.2	Confident	74.1	Confident	101 Å²	101	79.2 Å²	79.2	66%	0.656	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	120.1	176	-26.8	34.9	0	0	0	111.5
117	G	71.2	Confident	75.1	Confident	75 Å²	75	71.8 Å²	71.8	77%	0.773	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	-29.2	-179.4	0	0	0	0	0	115.6	V115 R119	V115-G117 PolarHBondContact O-N 3.13Å; V115-G117 VanDerWaalsContact O-N 3.11Å; G117-R119 PolarHBondContact O-N 3.07Å
118	N	70.1	Confident	76.7	Confident	99 Å²	99	67.4 Å²	67.4	53%	0.529	34%	0.339	S	S	.	.			trans	-100.9	80.6	-179	-76.2	-18.6	0	0	0	111.5	V115 G120	V115-N118 PolarHBondContact O-N 3.33Å; V115-N118 VanDerWaalsContact O-N 3.09Å; N118-G120 PolarHBondContact O-N 3.3Å
119	R	69.7	Low	78	Confident	243 Å²	243	70.9 Å²	70.9	92%	0.917	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	119.8	178.9	-70	-176.5	177.4	-178.4	0.1	111.1	G117	G117-R119 PolarHBondContact O-N 3.07Å
120	G	76	Confident	79.3	Confident	47 Å²	47	68.9 Å²	68.9	49%	0.485	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	1.4	170.8	0	0	0	0	0	117	E114 N118	E114-G120 PolarHBondContact OE2-N 3.33Å; N118-G120 PolarHBondContact O-N 3.3Å
121	Y	87.4	Confident	80.4	Confident	63 Å²	63	62.1 Å²	62.1	25%	0.247	33%	0.333	C	S	.	.			trans	-110.7	119.1	167.7	-169.7	-78.4	0	0	0	109.4	N75 D76 N79 Y123	N75-Y121 WeakPolarHBondContact ND2-CE1 3.49Å; N75-Y121 PolarHBondContact ND2-OH 2.94Å; N75-Y121 VanDerWaalsContact ND2-OH 3.13Å; D76-Y121 VanDerWaalsContact OD1-CE2 3.29Å; D76-Y121 WeakPolarHBondContact OD1-CE2 3.47Å; D76-Y121 VanDerWaalsContact OD1-CZ 3.26Å; D76-Y121 PolarHBondContact OD1-OH 2.95Å; N79-Y121 HydrophobicContact CB-CD2 4.2Å; N79-Y121 HydrophobicContact CB-CE2 4Å; Y121-Y123 HydrophobicContact CD1-CD2 4.28Å; Y121-Y123 HydrophobicContact CD1-CE1 4.47Å; Y121-Y123 AromaticContact CD1-CE2 3.74Å; Y121-Y123 HydrophobicContact CD1-CE2 3.74Å; Y121-Y123 AromaticContact CD1-CZ 3.87Å; Y121-Y123 HydrophobicContact CE1-CD1 4.32Å; Y121-Y123 HydrophobicContact CE1-CD2 4.42Å; Y121-Y123 AromaticContact CE1-CE1 3.81Å; Y121-Y123 HydrophobicContact CE1-CE1 3.81Å; Y121-Y123 AromaticContact CE1-CE2 3.93Å; Y121-Y123 HydrophobicContact CE1-CE2 3.93Å; Y121-Y123 AromaticContact CE1-CZ 3.61Å
122	K	88	Confident	81.3	Confident	31 Å²	31	59.7 Å²	59.7	14%	0.135	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.2	-171.8	-71.7	178.6	-175.6	-169.5	0	111.4	N75 N79 D109 E114 F124	N75-K122 PolarHBondContact ND2-O 3.14Å; N75-K122 PolarHBondContact OD1-O 3.46Å; N79-K122 PolarHBondContact ND2-O 3.08Å; N79-K122 PolarHBondContact OD1-N 3.04Å; N79-K122 PolarHBondContact OD1-O 3.01Å; D109-K122 IonicContact OD1-NZ 3Å; D109-K122 PolarHBondContact OD1-NZ 3.4Å; D109-K122 IonicContact OD2-NZ 3.23Å; E114-K122 HydrophobicContact CG-CD 4.4Å; E114-K122 HydrophobicContact CG-CG 3.48Å; E114-K122 VanDerWaalsContact CG-CG 3.48Å; E114-K122 WeakPolarHBondContact OE1-CE 2.9Å; E114-K122 IonicContact OE1-NZ 3.8Å; K122-F124 HydrophobicContact CB-CD2 4.26Å; K122-F124 HydrophobicContact CB-CE1 4.48Å; K122-F124 HydrophobicContact CB-CE2 3.43Å; K122-F124 VanDerWaalsContact CB-CE2 3.43Å; K122-F124 HydrophobicContact CB-CZ 3.54Å; K122-F124 HydrophobicContact CD-CZ 3.94Å; K122-F124 HydrophobicContact CG-CZ 4.37Å
123	Y	89.6	Confident	81.8	Confident	40 Å²	40	59.6 Å²	59.6	16%	0.157	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.6	172	-66.6	-90	0	0	0	109.7	N75 G112 R113 V115 Y121 A127 K128 I133 F137	N75-Y123 WeakPolarHBondContact OD1-CA 3.35Å; G112-Y123 WeakPolarHBondContact CA-O 3.33Å; R113-Y123 PolarHBondContact N-O 3.4Å; R113-Y123 PolarHBondContact O-N 3.15Å; V115-Y123 HydrophobicContact CG2-CD2 3.64Å; V115-Y123 HydrophobicContact CG2-CE2 3.43Å; V115-Y123 VanDerWaalsContact CG2-CE2 3.43Å; Y121-Y123 HydrophobicContact CD1-CD2 4.28Å; Y121-Y123 HydrophobicContact CD1-CE1 4.47Å; Y121-Y123 AromaticContact CD1-CE2 3.74Å; Y121-Y123 HydrophobicContact CD1-CE2 3.74Å; Y121-Y123 AromaticContact CD1-CZ 3.87Å; Y121-Y123 HydrophobicContact CE1-CD1 4.32Å; Y121-Y123 HydrophobicContact CE1-CD2 4.42Å; Y121-Y123 AromaticContact CE1-CE1 3.81Å; Y121-Y123 HydrophobicContact CE1-CE1 3.81Å; Y121-Y123 AromaticContact CE1-CE2 3.93Å; Y121-Y123 HydrophobicContact CE1-CE2 3.93Å; Y121-Y123 AromaticContact CE1-CZ 3.61Å; Y123-A127 HydrophobicContact CD1-CB 4.23Å; Y123-K128 WeakPolarHBondContact O-CE 3.24Å; Y123-I133 HydrophobicContact CD1-CD1 4.02Å; Y123-I133 HydrophobicContact CD1-CG1 4.47Å; Y123-I133 HydrophobicContact CD1-CG2 4Å; Y123-I133 HydrophobicContact CD2-CG2 4.28Å; Y123-I133 HydrophobicContact CE1-CD1 3.46Å; Y123-I133 VanDerWaalsContact CE1-CD1 3.46Å; Y123-I133 HydrophobicContact CE1-CG1 3.92Å; Y123-I133 HydrophobicContact CE1-CG2 4.2Å; Y123-I133 HydrophobicContact CE2-CG2 4.47Å; Y123-I133 HydrophobicContact CG-CG2 4.03Å; Y123-F137 HydrophobicContact CD2-CZ 4.4Å
124	F	87.2	Confident	81.8	Confident	1 Å²	1	58.5 Å²	58.5	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.2	-175.9	-63.1	-87.6	0	0	0	111.8	I58 I61 N75 I78 L82 E111 G112 K122 A126 A127	I58-F124 HydrophobicContact CD1-CD1 4.13Å; I58-F124 HydrophobicContact CD1-CE1 4.34Å; I58-F124 HydrophobicContact CG1-CD1 4.4Å; I61-F124 HydrophobicContact CG2-CB 3.95Å; N75-F124 PolarHBondContact OD1-N 3.44Å; I78-F124 HydrophobicContact CB-CD2 4.36Å; I78-F124 HydrophobicContact CG2-CD2 3.6Å; I78-F124 HydrophobicContact CG2-CE2 3.52Å; I78-F124 HydrophobicContact CG2-CG 4.25Å; I78-F124 HydrophobicContact CG2-CZ 4.11Å; L82-F124 HydrophobicContact CD1-CE2 3.71Å; L82-F124 HydrophobicContact CD1-CZ 3.42Å; L82-F124 VanDerWaalsContact CD1-CZ 3.42Å; E111-F124 HydrophobicContact CB-CD1 4.3Å; G112-F124 VanDerWaalsContact CA-CD1 3.49Å; K122-F124 HydrophobicContact CB-CD2 4.26Å; K122-F124 HydrophobicContact CB-CE1 4.48Å; K122-F124 HydrophobicContact CB-CE2 3.43Å; K122-F124 VanDerWaalsContact CB-CE2 3.43Å; K122-F124 HydrophobicContact CB-CZ 3.54Å; K122-F124 HydrophobicContact CD-CZ 3.94Å; K122-F124 HydrophobicContact CG-CZ 4.37Å; F124-A126 PolarHBondContact O-N 3.44Å; F124-A127 WeakPolarHBondContact O-CB 3.43Å; F124-A127 PolarHBondContact O-N 2.97Å
125	G	87.1	Confident	81.7	Confident	10 Å²	10	61.5 Å²	61.5	10%	0.103	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	51.8	-130.8	175.7	0	0	0	0	0	113.7	A127 K128	G125-A127 PolarHBondContact O-N 3.29Å; G125-K128 PolarHBondContact O-N 3.48Å; G125-K128 VanDerWaalsContact O-N 3.09Å
126	A	86.8	Confident	81.8	Confident	11 Å²	11	66.2 Å²	66.2	9%	0.091	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-61.3	-13.3	-179.8	0	0	0	0	0	114	I61 P64 I71 F124 K128 D129	I61-A126 WeakPolarHBondContact O-CB 3.43Å; I61-A126 PolarHBondContact O-N 2.94Å; P64-A126 HydrophobicContact CB-CB 4.28Å; I71-A126 HydrophobicContact CD1-CB 4.1Å; F124-A126 PolarHBondContact O-N 3.44Å; A126-K128 PolarHBondContact O-N 3.34Å; A126-D129 PolarHBondContact O-N 3.04Å
127	A	89.4	Confident	82.2	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-67.3	-17.9	174.1	0	0	0	0	0	113.2	I61 I71 N75 Y123 F124 G125 L130	I61-A127 HydrophobicContact CD1-CB 3.9Å; I71-A127 HydrophobicContact CG2-CB 3.73Å; N75-A127 HydrophobicContact CB-CB 4.02Å; Y123-A127 HydrophobicContact CD1-CB 4.23Å; F124-A127 WeakPolarHBondContact O-CB 3.43Å; F124-A127 PolarHBondContact O-N 2.97Å; G125-A127 PolarHBondContact O-N 3.29Å; A127-L130 HydrophobicContact CB-CD1 4.29Å
128	K	87.5	Confident	82.2	Confident	47 Å²	47	65 Å²	65	20%	0.204	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-74.7	-27.8	174.7	-63.6	175.2	-173.4	168.7	0	112.8	E111 R113 Y123 G125 A126 L130 R134 F137	E111-K128 VanDerWaalsContact O-CE 3.25Å; E111-K128 WeakPolarHBondContact O-CE 3.39Å; E111-K128 PolarHBondContact O-NZ 2.62Å; R113-K128 HydrophobicContact CB-CD 4.39Å; R113-K128 HydrophobicContact CG-CD 4.38Å; Y123-K128 WeakPolarHBondContact O-CE 3.24Å; G125-K128 PolarHBondContact O-N 3.48Å; G125-K128 VanDerWaalsContact O-N 3.09Å; A126-K128 PolarHBondContact O-N 3.34Å; K128-L130 VanDerWaalsContact C-N 3.3Å; K128-R134 WeakPolarHBondContact O-CA 3.43Å; K128-R134 PolarHBondContact O-N 3.4Å; K128-F137 HydrophobicContact CB-CE2 4.28Å; K128-F137 HydrophobicContact CG-CE2 4.24Å
129	D	84.3	Confident	81.7	Confident	107 Å²	107	68.8 Å²	68.8	57%	0.572	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-91.3	4.6	-178.9	-58.3	-45.8	0	0	0	112.5	A126	A126-D129 PolarHBondContact O-N 3.04Å
130	L	85.6	Confident	80.7	Confident	9 Å²	9	62.8 Å²	62.8	5%	0.047	33%	0.33	C	S	.	.	S	Bend	trans	-60.2	137.6	175.6	-76.5	175.1	0	0	0	110.2	E68 I71 R72 A127 K128 G132 I133 R134	E68-L130 HydrophobicContact CB-CD2 4.12Å; E68-L130 HydrophobicContact CG-CD2 3.67Å; I71-L130 HydrophobicContact CG2-CD1 4.2Å; I71-L130 HydrophobicContact CG2-CD2 4.4Å; I71-L130 HydrophobicContact CG2-CG 4.35Å; R72-L130 HydrophobicContact CG-CD1 3.51Å; A127-L130 HydrophobicContact CB-CD1 4.29Å; K128-L130 VanDerWaalsContact C-N 3.3Å; L130-G132 PolarHBondContact O-N 3.45Å; L130-I133 HydrophobicContact CB-CB 4.29Å; L130-I133 HydrophobicContact CB-CD1 3.56Å; L130-I133 HydrophobicContact CB-CG1 4.47Å; L130-I133 HydrophobicContact CD1-CD1 3.77Å; L130-I133 HydrophobicContact CG-CD1 4.32Å; L130-I133 PolarHBondContact O-N 2.91Å; L130-R134 PolarHBondContact O-N 3.28Å; L130-R134 VanDerWaalsContact O-N 3.11Å
131	P	81.9	Confident	79.4	Confident	87 Å²	87	68.5 Å²	68.5	57%	0.565	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	133.3	176	-25	33.2	0	0	0	111.4	I133	P131-I133 VanDerWaalsContact C-N 3.27Å; P131-I133 PolarHBondContact O-N 3.25Å
132	G	82.4	Confident	77.3	Confident	33 Å²	33	70 Å²	70	34%	0.34	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-34.4	-173.3	0	0	0	0	0	115.3	L130 L136	L130-G132 PolarHBondContact O-N 3.45Å; G132-L136 WeakPolarHBondContact O-CG 3.32Å
133	I	85.1	Confident	75.1	Confident	10 Å²	10	77.3 Å²	77.3	5%	0.051	41%	0.409	C	S	.	.	H	α-helix	trans	-77.5	-37.9	176.4	-68.7	146.4	0	0	0	110.7	Y123 L130 P131 E135 L136 F137	Y123-I133 HydrophobicContact CD1-CD1 4.02Å; Y123-I133 HydrophobicContact CD1-CG1 4.47Å; Y123-I133 HydrophobicContact CD1-CG2 4Å; Y123-I133 HydrophobicContact CD2-CG2 4.28Å; Y123-I133 HydrophobicContact CE1-CD1 3.46Å; Y123-I133 VanDerWaalsContact CE1-CD1 3.46Å; Y123-I133 HydrophobicContact CE1-CG1 3.92Å; Y123-I133 HydrophobicContact CE1-CG2 4.2Å; Y123-I133 HydrophobicContact CE2-CG2 4.47Å; Y123-I133 HydrophobicContact CG-CG2 4.03Å; L130-I133 HydrophobicContact CB-CB 4.29Å; L130-I133 HydrophobicContact CB-CD1 3.56Å; L130-I133 HydrophobicContact CB-CG1 4.47Å; L130-I133 HydrophobicContact CD1-CD1 3.77Å; L130-I133 HydrophobicContact CG-CD1 4.32Å; L130-I133 PolarHBondContact O-N 2.91Å; P131-I133 VanDerWaalsContact C-N 3.27Å; P131-I133 PolarHBondContact O-N 3.25Å; I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.5Å; I133-L136 PolarHBondContact O-N 3.12Å; I133-F137 HydrophobicContact CG2-CD2 4.04Å; I133-F137 HydrophobicContact CG2-CE2 3.62Å; I133-F137 VanDerWaalsContact O-CD2 3.31Å; I133-F137 WeakPolarHBondContact O-CD2 3.03Å; I133-F137 PolarHBondContact O-N 3.49Å
134	R	80.4	Confident	73	Confident	127 Å²	127	84.5 Å²	84.5	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-56.8	-46.4	175.1	-179.5	177.6	168.7	162.5	-1.5	112	K128 L130 L136 F137 E138	K128-R134 WeakPolarHBondContact O-CA 3.43Å; K128-R134 PolarHBondContact O-N 3.4Å; L130-R134 PolarHBondContact O-N 3.28Å; L130-R134 VanDerWaalsContact O-N 3.11Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.49Å; R134-F137 WeakPolarHBondContact O-CB 3.47Å; R134-F137 PolarHBondContact O-N 3.09Å; R134-E138 IonicContact CZ-OE1 3.98Å; R134-E138 IonicContact NE-OE1 2.66Å; R134-E138 PolarHBondContact NE-OE1 3.27Å; R134-E138 IonicContact NH2-OE1 3.25Å; R134-E138 PolarHBondContact NH2-OE1 3.36Å; R134-E138 PolarHBondContact O-N 2.9Å; R134-E138 VanDerWaalsContact O-N 3.12Å
135	E	79.4	Confident	70.8	Confident	141 Å²	141	92.4 Å²	92.4	66%	0.659	48%	0.483	S	S	*	.	H	α-helix	trans	-61.9	-33.6	178.8	-68	167.9	-156.2	0	0	111.9	I133 F137 E138	I133-E135 VanDerWaalsContact C-N 3.33Å; I133-E135 PolarHBondContact O-N 3.5Å; E135-F137 PolarHBondContact O-N 3.48Å; E135-E138 PolarHBondContact O-N 2.74Å; E135-E138 VanDerWaalsContact O-O 3.12Å
136	L	79	Confident	68.8	Low	108 Å²	108	101.6 Å²	101.6	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-72	-17.2	176	-62.5	167.8	0	0	0	113.2	V115 G132 I133 R134	V115-L136 HydrophobicContact CG1-CB 3.42Å; V115-L136 VanDerWaalsContact CG1-CB 3.42Å; V115-L136 HydrophobicContact CG1-CD1 3.9Å; V115-L136 HydrophobicContact CG1-CG 4.18Å; G132-L136 WeakPolarHBondContact O-CG 3.32Å; I133-L136 PolarHBondContact O-N 3.12Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.49Å
137	F	77.3	Confident	66.9	Low	45 Å²	45	104.2 Å²	104.2	20%	0.197	54%	0.536	C	S	.	.	H	α-helix	trans	-90.7	-26.1	172.6	-74.2	-59.5	0	0	0	113.2	R113 E114 V115 Y123 K128 I133 R134 E135 K139	R113-F137 HydrophobicContact CB-CD1 4.42Å; R113-F137 HydrophobicContact CB-CE1 3.52Å; R113-F137 HydrophobicContact CB-CZ 3.57Å; E114-F137 WeakPolarHBondContact O-CE1 3.39Å; V115-F137 HydrophobicContact CG2-CE1 4.24Å; V115-F137 HydrophobicContact CG2-CE2 4.22Å; V115-F137 HydrophobicContact CG2-CZ 3.79Å; Y123-F137 HydrophobicContact CD2-CZ 4.4Å; K128-F137 HydrophobicContact CB-CE2 4.28Å; K128-F137 HydrophobicContact CG-CE2 4.24Å; I133-F137 HydrophobicContact CG2-CD2 4.04Å; I133-F137 HydrophobicContact CG2-CE2 3.62Å; I133-F137 VanDerWaalsContact O-CD2 3.31Å; I133-F137 WeakPolarHBondContact O-CD2 3.03Å; I133-F137 PolarHBondContact O-N 3.49Å; R134-F137 WeakPolarHBondContact O-CB 3.47Å; R134-F137 PolarHBondContact O-N 3.09Å; E135-F137 PolarHBondContact O-N 3.48Å; F137-K139 PolarHBondContact O-N 3.46Å
138	E	71.5	Confident	64.8	Low	107 Å²	107	112.5 Å²	112.5	50%	0.5	57%	0.572	S	S	.	*	S	Bend	trans	-83.9	100.5	177.3	-71.5	176.2	-176.1	0	0	109.3	R134 E135 P140	R134-E138 IonicContact CZ-OE1 3.98Å; R134-E138 IonicContact NE-OE1 2.66Å; R134-E138 PolarHBondContact NE-OE1 3.27Å; R134-E138 IonicContact NH2-OE1 3.25Å; R134-E138 PolarHBondContact NH2-OE1 3.36Å; R134-E138 PolarHBondContact O-N 2.9Å; R134-E138 VanDerWaalsContact O-N 3.12Å; E135-E138 PolarHBondContact O-N 2.74Å; E135-E138 VanDerWaalsContact O-O 3.12Å; E138-P140 WeakPolarHBondContact O-CD 3.32Å
139	K	59.3	Low	63.3	Low	178 Å²	178	119.8 Å²	119.8	77%	0.774	60%	0.604	S	S	*	*			trans	-72.3	125.1	175	-65.1	178.8	179.4	179.6	0	108.9	F137	F137-K139 PolarHBondContact O-N 3.46Å
140	P	50.2	Low	61.9	Low	116 Å²	116	124.7 Å²	124.7	75%	0.753	61%	0.614	S	S	*	*			trans	-65.4	139.5	164	27.1	-30.2	0	0	0	108.7	E138 A142	E138-P140 WeakPolarHBondContact O-CD 3.32Å; P140-A142 PolarHBondContact O-N 3.32Å
141	D	48.4	Very low	60.5	Low	168 Å²	168	129.8 Å²	129.8	90%	0.898	64%	0.638	S	S	*	*			trans	-52.7	100.2	-171.4	-63.2	-45.5	0	0	0	111	E143	D141-E143 PolarHBondContact O-N 2.93Å
142	A	43.7	Very low	59.3	Low	94 Å²	94	128.3 Å²	128.3	78%	0.777	63%	0.627	S	S	*	*			trans	-79.2	108.9	-175.7	0	0	0	0	0	109.1	P140	P140-A142 PolarHBondContact O-N 3.32Å
143	E	41.4	Very low	58.3	Low	184 Å²	184	132.2 Å²	132.2	86%	0.86	64%	0.639	S	S	*	*			trans	-41.8	136.5	160.5	-64.7	173.1	167.9	0	0	110.6	D141 M145	D141-E143 PolarHBondContact O-N 2.93Å; E143-M145 PolarHBondContact O-N 3.31Å
144	E	45.3	Very low	57	Low	192 Å²	192	139.3 Å²	139.3	90%	0.897	67%	0.672	S	S	*	*			trans	-58.5	112.3	-168.7	-65.4	-173.2	158.8	0	0	112.1	K146	E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact O-N 3.07Å
145	M	41.8	Very low	56.1	Low	166 Å²	166	142.9 Å²	142.9	82%	0.818	69%	0.685	S	S	*	*			trans	-63.1	111	178.5	-158.1	179.5	84.3	0	0	109.3	E143 T147	E143-M145 PolarHBondContact O-N 3.31Å; M145-T147 PolarHBondContact O-N 3.01Å
146	K	43.4	Very low	55.5	Low	203 Å²	203	137.5 Å²	137.5	88%	0.883	66%	0.661	S	S	*	*			trans	-43.7	103	175.7	-68.1	-177	178.4	-178	0	110.7	E144	E144-K146 PolarHBondContact O-N 2.85Å; E144-K146 VanDerWaalsContact O-N 3.07Å
147	T	47.4	Very low	54.7	Low	67 Å²	67	135.2 Å²	135.2	41%	0.411	65%	0.649	S	S	.	*			trans	-66.3	138.5	-176.1	4.7	0	0	0	0	109.8	M145 K149 Q151	M145-T147 PolarHBondContact O-N 3.01Å; T147-K149 PolarHBondContact O-N 3.4Å; T147-Q151 HydrophobicContact CG2-CB 3.9Å
148	K	46.4	Very low	54.3	Low	174 Å²	174	134.9 Å²	134.9	76%	0.757	66%	0.655	S	S	*	*			trans	-60.1	135.1	174.4	-67.5	-179.1	178.6	-178.7	0	108.8	R150 Q151	K148-R150 PolarHBondContact O-N 2.94Å; K148-Q151 PolarHBondContact O-N 3.3Å
149	K	55.6	Low	54	Low	200 Å²	200	132.4 Å²	132.4	87%	0.87	65%	0.649	S	S	*	*	H	α-helix	trans	-33.5	-41.9	-176.6	-105.7	-177.6	173.7	-178.5	0	115.4	T147 Q151 V152 L153	T147-K149 PolarHBondContact O-N 3.4Å; K149-Q151 PolarHBondContact O-N 3.36Å; K149-V152 PolarHBondContact O-N 3.41Å; K149-L153 PolarHBondContact O-N 3.44Å
150	R	54.8	Low	54.4	Low	209 Å²	209	130.8 Å²	130.8	79%	0.789	64%	0.639	S	S	*	*	H	α-helix	trans	-67.8	-28.7	-179.8	-162.4	177.8	-176.3	-169.1	2.1	115.1	K148	K148-R150 PolarHBondContact O-N 2.94Å
151	Q	54.9	Low	55.5	Low	117 Å²	117	133.1 Å²	133.1	55%	0.547	63%	0.634	S	S	.	*	H	α-helix	trans	-82	-24.1	175.2	-79.5	178.6	-33.5	0	0	112.6	T147 K148 K149	T147-Q151 HydrophobicContact CG2-CB 3.9Å; K148-Q151 PolarHBondContact O-N 3.3Å; K149-Q151 PolarHBondContact O-N 3.36Å
152	V	57.7	Low	56.4	Low	56 Å²	56	126.1 Å²	126.1	34%	0.339	60%	0.602	S	S	.	*	H	α-helix	trans	-67.7	-43	172.9	-176.2	0	0	0	0	109.6	K149 H154 R155 L156	K149-V152 PolarHBondContact O-N 3.41Å; V152-H154 PolarHBondContact O-N 2.89Å; V152-H154 VanDerWaalsContact O-N 3.1Å; V152-R155 CarbonylContact O-C 3.53Å; V152-R155 PolarHBondContact O-N 3.31Å; V152-L156 HydrophobicContact CG1-CD2 3.77Å; V152-L156 WeakPolarHBondContact O-CD2 3.05Å; V152-L156 WeakPolarHBondContact O-CG 3.45Å; V152-L156 PolarHBondContact O-N 2.79Å
153	L	61.3	Low	57.4	Low	115 Å²	115	126 Å²	126	60%	0.602	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-55.8	-31.9	-179.9	-164.3	75.5	0	0	0	114.3	K149 L156	K149-L153 PolarHBondContact O-N 3.44Å; L153-L156 HydrophobicContact CD1-CD1 3.85Å
154	H	58.7	Low	58.6	Low	158 Å²	158	121.3 Å²	121.3	73%	0.731	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-84.7	-6.4	179.5	-83.3	-64.4	0	0	0	114.5	V152	V152-H154 PolarHBondContact O-N 2.89Å; V152-H154 VanDerWaalsContact O-N 3.1Å
155	R	60.7	Low	59.8	Low	203 Å²	203	116.4 Å²	116.4	77%	0.766	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-124.4	19.2	-177.7	-67.1	-174.8	177.3	175.5	-3.1	112.5	V152 D157	V152-R155 CarbonylContact O-C 3.53Å; V152-R155 PolarHBondContact O-N 3.31Å; R155-D157 PolarHBondContact O-N 3.43Å
156	L	66.6	Low	61	Low	28 Å²	28	112.7 Å²	112.7	15%	0.147	52%	0.523	C	S	.	.			trans	-68.9	119.7	174.4	-58.4	176.7	0	0	0	108.1	V152 L153 Y160 Y161	V152-L156 HydrophobicContact CG1-CD2 3.77Å; V152-L156 WeakPolarHBondContact O-CD2 3.05Å; V152-L156 WeakPolarHBondContact O-CG 3.45Å; V152-L156 PolarHBondContact O-N 2.79Å; L153-L156 HydrophobicContact CD1-CD1 3.85Å; L156-Y160 HydrophobicContact CB-CD1 3.78Å; L156-Y160 HydrophobicContact CB-CE1 4.44Å; L156-Y160 HydrophobicContact CB-CG 4.02Å; L156-Y160 HydrophobicContact CD1-CD1 3.55Å; L156-Y160 HydrophobicContact CD1-CE1 3.32Å; L156-Y160 HydrophobicContact CD1-CE2 4.47Å; L156-Y160 HydrophobicContact CD1-CG 4.25Å; L156-Y160 HydrophobicContact CD2-CD1 3.66Å; L156-Y160 HydrophobicContact CD2-CD2 3.43Å; L156-Y160 VanDerWaalsContact CD2-CD2 3.43Å; L156-Y160 HydrophobicContact CD2-CE1 3.89Å; L156-Y160 HydrophobicContact CD2-CE2 3.63Å; L156-Y160 HydrophobicContact CD2-CG 3.42Å; L156-Y160 VanDerWaalsContact CD2-CG 3.42Å; L156-Y160 HydrophobicContact CG-CD1 3.81Å; L156-Y160 HydrophobicContact CG-CD2 4.47Å; L156-Y160 HydrophobicContact CG-CE1 4.03Å; L156-Y160 HydrophobicContact CG-CG 4.05Å; L156-Y161 HydrophobicContact CB-CE2 3.85Å
157	D	62.6	Low	62.1	Low	60 Å²	60	107.6 Å²	107.6	32%	0.321	51%	0.505	S	S	.	.			trans	-93.1	179.9	174.2	58.5	14.4	0	0	0	110.5	R155 S159 Y160 Y161	R155-D157 PolarHBondContact O-N 3.43Å; D157-S159 VanDerWaalsContact CG-OG 3.29Å; D157-S159 PolarHBondContact O-N 3.28Å; D157-S159 WeakPolarHBondContact OD1-CB 3.44Å; D157-S159 PolarHBondContact OD1-N 3.43Å; D157-S159 PolarHBondContact OD1-OG 3Å; D157-S159 PolarHBondContact OD2-OG 3.44Å; D157-Y160 PolarHBondContact O-N 2.95Å; D157-Y160 VanDerWaalsContact O-N 3.16Å; D157-Y160 PolarHBondContact OD1-N 2.8Å; D157-Y160 VanDerWaalsContact OD1-N 3.12Å; D157-Y161 WeakPolarHBondContact O-CD2 3.47Å
158	A	68	Low	63.3	Low	37 Å²	37	109.1 Å²	109.1	31%	0.306	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.6	178.3	0	0	0	0	0	112.4	Y160 Y161 Y163 V252	A158-Y160 VanDerWaalsContact C-N 3.34Å; A158-Y160 PolarHBondContact O-N 3.3Å; A158-Y161 PolarHBondContact O-N 3.37Å; A158-Y161 VanDerWaalsContact O-N 3.14Å; A158-Y163 HydrophobicContact CB-CD1 4.4Å; A158-Y163 HydrophobicContact CB-CG 4.17Å; A158-Y163 WeakPolarHBondContact O-CB 3.43Å; A158-Y163 PolarHBondContact O-N 3.06Å; A158-Y163 VanDerWaalsContact O-N 3.16Å; A158-V252 HydrophobicContact CB-CG1 4.46Å
159	S	64.8	Low	64.6	Low	56 Å²	56	103 Å²	103	39%	0.392	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-62.5	-39.1	177.7	82.4	0	0	0	0	112.4	D157 Y161 G162	D157-S159 VanDerWaalsContact CG-OG 3.29Å; D157-S159 PolarHBondContact O-N 3.28Å; D157-S159 WeakPolarHBondContact OD1-CB 3.44Å; D157-S159 PolarHBondContact OD1-N 3.43Å; D157-S159 PolarHBondContact OD1-OG 3Å; D157-S159 PolarHBondContact OD2-OG 3.44Å; S159-Y161 PolarHBondContact O-N 2.88Å; S159-G162 PolarHBondContact O-N 3.47Å; S159-G162 VanDerWaalsContact O-N 3.12Å
160	Y	69.1	Low	65.7	Low	144 Å²	144	97.4 Å²	97.4	57%	0.565	48%	0.479	S	S	*	.	G	3₁₀ helix	trans	-62.8	-31	175.6	174.2	-91.3	0	0	0	113.4	L156 D157 A158 G162	L156-Y160 HydrophobicContact CB-CD1 3.78Å; L156-Y160 HydrophobicContact CB-CE1 4.44Å; L156-Y160 HydrophobicContact CB-CG 4.02Å; L156-Y160 HydrophobicContact CD1-CD1 3.55Å; L156-Y160 HydrophobicContact CD1-CE1 3.32Å; L156-Y160 HydrophobicContact CD1-CE2 4.47Å; L156-Y160 HydrophobicContact CD1-CG 4.25Å; L156-Y160 HydrophobicContact CD2-CD1 3.66Å; L156-Y160 HydrophobicContact CD2-CD2 3.43Å; L156-Y160 VanDerWaalsContact CD2-CD2 3.43Å; L156-Y160 HydrophobicContact CD2-CE1 3.89Å; L156-Y160 HydrophobicContact CD2-CE2 3.63Å; L156-Y160 HydrophobicContact CD2-CG 3.42Å; L156-Y160 VanDerWaalsContact CD2-CG 3.42Å; L156-Y160 HydrophobicContact CG-CD1 3.81Å; L156-Y160 HydrophobicContact CG-CD2 4.47Å; L156-Y160 HydrophobicContact CG-CE1 4.03Å; L156-Y160 HydrophobicContact CG-CG 4.05Å; D157-Y160 PolarHBondContact O-N 2.95Å; D157-Y160 VanDerWaalsContact O-N 3.16Å; D157-Y160 PolarHBondContact OD1-N 2.8Å; D157-Y160 VanDerWaalsContact OD1-N 3.12Å; A158-Y160 VanDerWaalsContact C-N 3.34Å; A158-Y160 PolarHBondContact O-N 3.3Å; Y160-G162 PolarHBondContact O-N 2.97Å
161	Y	72.1	Confident	66.8	Low	165 Å²	165	90 Å²	90	65%	0.647	46%	0.455	S	S	*	.	G	3₁₀ helix	trans	-85.4	12	178.8	-67.9	-76.3	0	0	0	113	L156 D157 A158 S159 Y163	L156-Y161 HydrophobicContact CB-CE2 3.85Å; D157-Y161 WeakPolarHBondContact O-CD2 3.47Å; A158-Y161 PolarHBondContact O-N 3.37Å; A158-Y161 VanDerWaalsContact O-N 3.14Å; S159-Y161 PolarHBondContact O-N 2.88Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å
162	G	67.6	Low	68	Low	21 Å²	21	88 Å²	88	22%	0.216	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.2	176.9	0	0	0	0	0	114.5	S159 Y160 L164 D165	S159-G162 PolarHBondContact O-N 3.47Å; S159-G162 VanDerWaalsContact O-N 3.12Å; Y160-G162 PolarHBondContact O-N 2.97Å; G162-L164 PolarHBondContact O-N 3.48Å; G162-D165 VanDerWaalsContact CA-CG 3.47Å; G162-D165 VanDerWaalsContact CA-OD2 3.29Å; G162-D165 WeakPolarHBondContact CA-OD2 3.33Å; G162-D165 PolarHBondContact O-N 2.94Å; G162-D165 VanDerWaalsContact O-N 3.08Å
163	Y	66.2	Low	69.2	Low	90 Å²	90	88.9 Å²	88.9	35%	0.353	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	-179.2	-167	-99.1	0	0	0	113.5	A158 Y161 Q249 V250 V252	A158-Y163 HydrophobicContact CB-CD1 4.4Å; A158-Y163 HydrophobicContact CB-CG 4.17Å; A158-Y163 WeakPolarHBondContact O-CB 3.43Å; A158-Y163 PolarHBondContact O-N 3.06Å; A158-Y163 VanDerWaalsContact O-N 3.16Å; Y161-Y163 VanDerWaalsContact C-N 3.34Å; Y163-Q249 HydrophobicContact CE1-CB 4.39Å; Y163-Q249 HydrophobicContact CE1-CG 4.07Å; Y163-Q249 PolarHBondContact O-NE2 3.49Å; Y163-Q249 VanDerWaalsContact O-NE2 3.13Å; Y163-V250 PolarHBondContact OH-O 3.47Å; Y163-V252 HydrophobicContact CD1-CG2 4.48Å; Y163-V252 HydrophobicContact CE1-CG2 3.85Å; Y163-V252 HydrophobicContact CE2-CG2 4.26Å
164	L	65	Low	70.3	Confident	87 Å²	87	88.1 Å²	88.1	46%	0.455	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	6.6	179.1	-58.3	176.8	0	0	0	112.9	G162 D167	G162-L164 PolarHBondContact O-N 3.48Å; L164-D167 VanDerWaalsContact CD2-OD2 3.27Å; L164-D167 WeakPolarHBondContact CD2-OD2 3.3Å; L164-D167 PolarHBondContact O-N 3.49Å
165	D	71	Confident	71.7	Confident	89 Å²	89	85.8 Å²	85.8	48%	0.476	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-33.9	-176.8	-71.9	-2.1	0	0	0	110.6	G162 D167 D168 I171	G162-D165 VanDerWaalsContact CA-CG 3.47Å; G162-D165 VanDerWaalsContact CA-OD2 3.29Å; G162-D165 WeakPolarHBondContact CA-OD2 3.33Å; G162-D165 PolarHBondContact O-N 2.94Å; G162-D165 VanDerWaalsContact O-N 3.08Å; D165-D167 PolarHBondContact O-N 3.34Å; D165-D168 VanDerWaalsContact O-CG 3.29Å; D165-D168 VanDerWaalsContact O-OD1 3.1Å; D165-I171 HydrophobicContact CB-CD1 3.92Å; D165-I171 WeakPolarHBondContact O-CD1 3.29Å
166	E	67.7	Low	72.9	Confident	88 Å²	88	82.3 Å²	82.3	41%	0.411	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-70.1	-19.6	175.4	-65.3	-179.7	-166.2	0	0	113.2	D168	E166-D168 VanDerWaalsContact C-N 3.32Å; E166-D168 PolarHBondContact O-N 3Å
167	D	66.3	Low	73.9	Confident	95 Å²	95	87 Å²	87	51%	0.508	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-80	-10.4	-176.9	-67.5	-32.2	0	0	0	113.4	L164 D165 G169 Q249	L164-D167 VanDerWaalsContact CD2-OD2 3.27Å; L164-D167 WeakPolarHBondContact CD2-OD2 3.3Å; L164-D167 PolarHBondContact O-N 3.49Å; D165-D167 PolarHBondContact O-N 3.34Å; D167-G169 PolarHBondContact O-N 3.4Å; D167-Q249 PolarHBondContact OD1-NE2 2.86Å; D167-Q249 PolarHBondContact OD2-NE2 3.44Å; D167-Q249 PolarHBondContact OD2-OE1 3.45Å
168	D	72.4	Confident	75.3	Confident	99 Å²	99	89.8 Å²	89.8	53%	0.529	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-72.9	-12.9	176.3	78	-3.1	0	0	0	113	D165 E166 V170	D165-D168 VanDerWaalsContact O-CG 3.29Å; D165-D168 VanDerWaalsContact O-OD1 3.1Å; E166-D168 VanDerWaalsContact C-N 3.32Å; E166-D168 PolarHBondContact O-N 3Å; D168-V170 PolarHBondContact O-N 3.37Å; D168-V170 WeakPolarHBondContact OD1-CB 3.21Å; D168-V170 PolarHBondContact OD1-N 3.4Å
169	G	72.9	Confident	76.3	Confident	45 Å²	45	90.8 Å²	90.8	46%	0.464	46%	0.461	S	S	.	.	S	Bend	trans	72.4	7.9	-180	0	0	0	0	0	114.6	D167 P173	D167-G169 PolarHBondContact O-N 3.4Å; G169-P173 VanDerWaalsContact O-CD 3.22Å; G169-P173 WeakPolarHBondContact O-CD 3.46Å; G169-P173 WeakPolarHBondContact O-CG 3.28Å
170	V	78.7	Confident	77.5	Confident	83 Å²	83	93.9 Å²	93.9	50%	0.503	47%	0.471	S	S	.	.	S	Bend	trans	-91.9	-38.1	-179.9	-177.5	0	0	0	0	111.3	D168 P173 L174	D168-V170 PolarHBondContact O-N 3.37Å; D168-V170 WeakPolarHBondContact OD1-CB 3.21Å; D168-V170 PolarHBondContact OD1-N 3.4Å; V170-P173 WeakPolarHBondContact O-CD 3.47Å; V170-L174 HydrophobicContact CG1-CD1 4.27Å; V170-L174 WeakPolarHBondContact O-CG 3.23Å
171	I	79	Confident	78.5	Confident	53 Å²	53	93.1 Å²	93.1	27%	0.272	47%	0.473	S	S	.	.	H	α-helix	trans	-69.3	-49.8	-175.6	-62.4	-179.4	0	0	0	111.8	D165 L174 E175	D165-I171 HydrophobicContact CB-CD1 3.92Å; D165-I171 WeakPolarHBondContact O-CD1 3.29Å; I171-L174 WeakPolarHBondContact O-CB 3.44Å; I171-L174 PolarHBondContact O-N 2.84Å; I171-E175 HydrophobicContact CG2-CG 3.97Å; I171-E175 PolarHBondContact O-N 2.97Å
172	L	79.7	Confident	79.3	Confident	75 Å²	75	88.2 Å²	88.2	39%	0.393	47%	0.466	S	S	.	.	H	α-helix	trans	-57.9	-42	-174.4	-64.1	172	0	0	0	114.3	L174 K176 L246	L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 2.93Å; L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 PolarHBondContact O-N 3.34Å; L172-L246 HydrophobicContact CD2-CD1 4.17Å
173	P	82.8	Confident	80.3	Confident	76 Å²	76	91.2 Å²	91.2	49%	0.494	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-38.7	173.4	-25.3	35.1	0	0	0	113.9	G169 V170 E177	G169-P173 VanDerWaalsContact O-CD 3.22Å; G169-P173 WeakPolarHBondContact O-CD 3.46Å; G169-P173 WeakPolarHBondContact O-CG 3.28Å; V170-P173 WeakPolarHBondContact O-CD 3.47Å; P173-E177 PolarHBondContact O-N 3.23Å; P173-E177 VanDerWaalsContact O-N 3.11Å
174	L	85.4	Confident	81.4	Confident	99 Å²	99	89.9 Å²	89.9	52%	0.518	48%	0.484	S	S	.	.	H	α-helix	trans	-69.7	-42	179.8	-66.9	173.7	0	0	0	111.3	V170 I171 L172 E177 Q178	V170-L174 HydrophobicContact CG1-CD1 4.27Å; V170-L174 WeakPolarHBondContact O-CG 3.23Å; I171-L174 WeakPolarHBondContact O-CB 3.44Å; I171-L174 PolarHBondContact O-N 2.84Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 2.93Å; L174-E177 PolarHBondContact O-N 3.45Å; L174-Q178 WeakPolarHBondContact O-CG 3.43Å; L174-Q178 PolarHBondContact O-N 3.44Å; L174-Q178 VanDerWaalsContact O-N 3.1Å
175	E	87.1	Confident	82.6	Confident	108 Å²	108	92.7 Å²	92.7	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.4	-71.1	-176.2	153.6	0	0	111.5	I171 E177 Q178 E179	I171-E175 HydrophobicContact CG2-CG 3.97Å; I171-E175 PolarHBondContact O-N 2.97Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 3.19Å; E175-Q178 PolarHBondContact O-N 2.9Å; E175-E179 WeakPolarHBondContact O-CB 3.29Å; E175-E179 PolarHBondContact O-N 3.37Å
176	K	86.8	Confident	83.4	Confident	130 Å²	130	91.1 Å²	91.1	57%	0.565	49%	0.492	S	S	*	.	H	α-helix	trans	-61.7	-39.6	176.7	-175.6	176.3	-178.1	176.4	0	112.7	L172 E179 M180	L172-K176 WeakPolarHBondContact O-CB 3.16Å; L172-K176 PolarHBondContact O-N 3.34Å; K176-E179 PolarHBondContact O-N 3.17Å; K176-M180 VanDerWaalsContact O-CG 3.29Å; K176-M180 WeakPolarHBondContact O-CG 3.34Å; K176-M180 PolarHBondContact O-N 2.93Å
177	E	87.6	Confident	84.3	Confident	127 Å²	127	90 Å²	90	59%	0.593	49%	0.491	S	S	*	.	H	α-helix	trans	-63.2	-45.1	175.7	-173.2	175.2	-173.8	0	0	111.1	P173 L174 E175 M180 E181	P173-E177 PolarHBondContact O-N 3.23Å; P173-E177 VanDerWaalsContact O-N 3.11Å; L174-E177 PolarHBondContact O-N 3.45Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 3.19Å; E177-M180 PolarHBondContact O-N 3.01Å; E177-E181 PolarHBondContact O-N 3.41Å
178	Q	90.6	Very high	85.1	Confident	119 Å²	119	89.8 Å²	89.8	56%	0.556	49%	0.487	S	S	*	.	H	α-helix	trans	-65.1	-39.5	176.2	-71.7	-62.7	-56.7	0	0	112.8	L174 E175 E181 A182	L174-Q178 WeakPolarHBondContact O-CG 3.43Å; L174-Q178 PolarHBondContact O-N 3.44Å; L174-Q178 VanDerWaalsContact O-N 3.1Å; E175-Q178 PolarHBondContact O-N 2.9Å; Q178-E181 PolarHBondContact O-N 2.98Å; Q178-A182 WeakPolarHBondContact O-CB 3.41Å; Q178-A182 PolarHBondContact O-N 3.21Å
179	E	89.6	Confident	85.6	Confident	57 Å²	57	89 Å²	89	27%	0.266	48%	0.483	S	S	.	.	H	α-helix	trans	-62.9	-44.8	176.7	-167.2	-148.7	161.6	0	0	111	E175 K176 E181 A182 I183	E175-E179 WeakPolarHBondContact O-CB 3.29Å; E175-E179 PolarHBondContact O-N 3.37Å; K176-E179 PolarHBondContact O-N 3.17Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.28Å; E179-A182 PolarHBondContact O-N 2.92Å; E179-I183 HydrophobicContact CG-CD1 3.94Å; E179-I183 WeakPolarHBondContact O-CB 3.24Å; E179-I183 VanDerWaalsContact O-CG1 3.27Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3Å; E179-I183 WeakPolarHBondContact OE1-CD1 3.29Å
180	M	89.9	Confident	86	Confident	122 Å²	122	93.6 Å²	93.6	60%	0.601	49%	0.486	S	S	*	.	H	α-helix	trans	-60	-40.3	176.3	-75	-179.6	62.3	0	0	112.1	K176 E177 A184	K176-M180 VanDerWaalsContact O-CG 3.29Å; K176-M180 WeakPolarHBondContact O-CG 3.34Å; K176-M180 PolarHBondContact O-N 2.93Å; E177-M180 PolarHBondContact O-N 3.01Å; M180-A184 WeakPolarHBondContact O-CB 3.34Å; M180-A184 PolarHBondContact O-N 3.21Å
181	E	89.5	Confident	86	Confident	128 Å²	128	94.5 Å²	94.5	60%	0.598	48%	0.483	S	S	*	.	H	α-helix	trans	-65.9	-43.9	175.4	-170.5	174.4	-176.5	0	0	111.5	E177 Q178 E179 I183 A184 K185	E177-E181 PolarHBondContact O-N 3.41Å; Q178-E181 PolarHBondContact O-N 2.98Å; E179-E181 VanDerWaalsContact C-N 3.3Å; E179-E181 PolarHBondContact O-N 3.28Å; E181-I183 PolarHBondContact O-N 3.29Å; E181-A184 PolarHBondContact O-N 3.34Å; E181-K185 WeakPolarHBondContact O-CB 3.47Å; E181-K185 PolarHBondContact O-N 3.35Å
182	A	90	Very high	86	Confident	61 Å²	61	96.2 Å²	96.2	50%	0.504	49%	0.493	S	S	.	.	H	α-helix	trans	-62.2	-42.7	176.1	0	0	0	0	0	112.2	Q178 E179 K185 A186	Q178-A182 WeakPolarHBondContact O-CB 3.41Å; Q178-A182 PolarHBondContact O-N 3.21Å; E179-A182 PolarHBondContact O-N 2.92Å; A182-K185 PolarHBondContact O-N 3.22Å; A182-A186 WeakPolarHBondContact O-CB 3.37Å; A182-A186 PolarHBondContact O-N 2.75Å
183	I	88.8	Confident	85.8	Confident	84 Å²	84	99.4 Å²	99.4	43%	0.431	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-46	175.8	-69.4	165.7	0	0	0	110.5	E179 E181 K185 A186 V187	E179-I183 HydrophobicContact CG-CD1 3.94Å; E179-I183 WeakPolarHBondContact O-CB 3.24Å; E179-I183 VanDerWaalsContact O-CG1 3.27Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3Å; E179-I183 WeakPolarHBondContact OE1-CD1 3.29Å; E181-I183 PolarHBondContact O-N 3.29Å; I183-K185 VanDerWaalsContact C-N 3.28Å; I183-K185 PolarHBondContact O-N 2.95Å; I183-A186 PolarHBondContact O-N 2.89Å; I183-V187 HydrophobicContact CG2-CG2 4.2Å; I183-V187 WeakPolarHBondContact O-CB 3.44Å; I183-V187 VanDerWaalsContact O-CG2 3.32Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.38Å
184	A	89.5	Confident	84.9	Confident	63 Å²	63	102.8 Å²	102.8	52%	0.521	51%	0.513	S	S	.	.	H	α-helix	trans	-60	-41.8	179.6	0	0	0	0	0	111.5	M180 E181 V187 Q188	M180-A184 WeakPolarHBondContact O-CB 3.34Å; M180-A184 PolarHBondContact O-N 3.21Å; E181-A184 PolarHBondContact O-N 3.34Å; A184-V187 PolarHBondContact O-N 2.9Å; A184-Q188 WeakPolarHBondContact O-CB 3.33Å; A184-Q188 PolarHBondContact O-N 2.88Å
185	K	89.4	Confident	83.5	Confident	145 Å²	145	105.9 Å²	105.9	63%	0.63	53%	0.525	S	S	*	.	H	α-helix	trans	-61.2	-49	173.9	-172.8	179.4	179	-177.8	0	111.7	E181 A182 I183 V187 Q188 D189	E181-K185 WeakPolarHBondContact O-CB 3.47Å; E181-K185 PolarHBondContact O-N 3.35Å; A182-K185 PolarHBondContact O-N 3.22Å; I183-K185 VanDerWaalsContact C-N 3.28Å; I183-K185 PolarHBondContact O-N 2.95Å; K185-V187 VanDerWaalsContact C-N 3.32Å; K185-V187 PolarHBondContact O-N 2.76Å; K185-Q188 PolarHBondContact O-N 3.5Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; K185-D189 PolarHBondContact O-N 2.93Å
186	A	87.2	Confident	81.7	Confident	57 Å²	57	103.9 Å²	103.9	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-61.5	-37.9	177.8	0	0	0	0	0	112.9	A182 I183 W190	A182-A186 WeakPolarHBondContact O-CB 3.37Å; A182-A186 PolarHBondContact O-N 2.75Å; I183-A186 PolarHBondContact O-N 2.89Å; A186-W190 WeakPolarHBondContact O-CB 3.41Å; A186-W190 PolarHBondContact O-N 3.41Å
187	V	86.8	Confident	80	Confident	63 Å²	63	103.6 Å²	103.6	38%	0.382	53%	0.534	S	S	.	.	H	α-helix	trans	-68.4	-37	175.8	169.9	0	0	0	0	111.5	I183 A184 K185 W190 K191	I183-V187 HydrophobicContact CG2-CG2 4.2Å; I183-V187 WeakPolarHBondContact O-CB 3.44Å; I183-V187 VanDerWaalsContact O-CG2 3.32Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.38Å; A184-V187 PolarHBondContact O-N 2.9Å; K185-V187 VanDerWaalsContact C-N 3.32Å; K185-V187 PolarHBondContact O-N 2.76Å; V187-W190 PolarHBondContact O-N 2.97Å; V187-K191 WeakPolarHBondContact O-CG 3.41Å; V187-K191 PolarHBondContact O-N 3.2Å
188	Q	83.6	Confident	77.9	Confident	92 Å²	92	106 Å²	106	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-66.6	-47	175.7	-172.1	61.3	24	0	0	110.9	A184 K185 W190 K191 D192	A184-Q188 WeakPolarHBondContact O-CB 3.33Å; A184-Q188 PolarHBondContact O-N 2.88Å; K185-Q188 PolarHBondContact O-N 3.5Å; K185-Q188 VanDerWaalsContact O-N 3.15Å; Q188-W190 PolarHBondContact O-N 3.15Å; Q188-K191 PolarHBondContact O-N 3.3Å; Q188-D192 PolarHBondContact NE2-OD1 2.95Å; Q188-D192 VanDerWaalsContact O-CG 3.3Å; Q188-D192 PolarHBondContact O-N 2.93Å
189	D	83	Confident	75.3	Confident	82 Å²	82	108.1 Å²	108.1	44%	0.439	56%	0.558	S	S	.	*	H	α-helix	trans	-56	-39.3	174.8	-67.3	-20.4	0	0	0	111.3	K185 Q193	K185-D189 PolarHBondContact O-N 2.93Å; D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.25Å; D189-Q193 VanDerWaalsContact O-N 3.13Å
190	W	80.7	Confident	72.6	Confident	142 Å²	142	110.3 Å²	110.3	54%	0.538	58%	0.575	S	S	.	*	H	α-helix	trans	-66.7	-40.2	174.7	179.9	81.8	0	0	0	113.4	A186 V187 Q188 Q193 K194	A186-W190 WeakPolarHBondContact O-CB 3.41Å; A186-W190 PolarHBondContact O-N 3.41Å; V187-W190 PolarHBondContact O-N 2.97Å; Q188-W190 PolarHBondContact O-N 3.15Å; W190-Q193 PolarHBondContact O-N 3.21Å; W190-K194 HydrophobicContact CH2-CD 3.68Å; W190-K194 HydrophobicContact CZ2-CD 3.83Å; W190-K194 HydrophobicContact CZ3-CD 4.14Å; W190-K194 PolarHBondContact O-N 2.97Å; W190-K194 VanDerWaalsContact O-N 3.11Å
191	K	79.3	Confident	69.8	Low	102 Å²	102	114.4 Å²	114.4	44%	0.443	59%	0.59	S	S	.	*	H	α-helix	trans	-66.3	-42.1	176.4	-75.3	175.4	-176.1	171.7	0	111.6	V187 Q188 Q193 K194 E195	V187-K191 WeakPolarHBondContact O-CG 3.41Å; V187-K191 PolarHBondContact O-N 3.2Å; Q188-K191 PolarHBondContact O-N 3.3Å; K191-Q193 PolarHBondContact O-N 3.31Å; K191-K194 PolarHBondContact O-N 3.41Å; K191-E195 PolarHBondContact O-N 3.14Å
192	D	78.5	Confident	67.1	Low	88 Å²	88	112 Å²	112	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-62.7	-35.4	178.5	-66.6	-10	0	0	0	110.7	Q188	Q188-D192 PolarHBondContact NE2-OD1 2.95Å; Q188-D192 VanDerWaalsContact O-CG 3.3Å; Q188-D192 PolarHBondContact O-N 2.93Å
193	Q	75	Confident	64.2	Low	143 Å²	143	118.3 Å²	118.3	67%	0.668	62%	0.618	S	S	*	*	H	α-helix	trans	-67	-36.8	170.9	-73.3	176.3	19.6	0	0	112.9	D189 W190 K191 S196	D189-Q193 WeakPolarHBondContact O-CG 3.46Å; D189-Q193 PolarHBondContact O-N 3.25Å; D189-Q193 VanDerWaalsContact O-N 3.13Å; W190-Q193 PolarHBondContact O-N 3.21Å; K191-Q193 PolarHBondContact O-N 3.31Å; Q193-S196 VanDerWaalsContact O-CB 3.31Å; Q193-S196 WeakPolarHBondContact O-CB 3.19Å; Q193-S196 PolarHBondContact O-N 3.2Å
194	K	65.7	Low	61.3	Low	147 Å²	147	123.8 Å²	123.8	64%	0.639	64%	0.642	S	S	*	*	H	α-helix	trans	-79.6	-27.1	-176.4	-154.1	178.8	-173.3	176.3	0	114	W190 K191 S196	W190-K194 HydrophobicContact CH2-CD 3.68Å; W190-K194 HydrophobicContact CZ2-CD 3.83Å; W190-K194 HydrophobicContact CZ3-CD 4.14Å; W190-K194 PolarHBondContact O-N 2.97Å; W190-K194 VanDerWaalsContact O-N 3.11Å; K191-K194 PolarHBondContact O-N 3.41Å; K194-S196 VanDerWaalsContact C-N 3.26Å
195	E	54.4	Low	58.5	Low	164 Å²	164	130 Å²	130	77%	0.766	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-4.4	173.3	-76.3	-170.3	172.4	0	0	113.2	K191 P197	K191-E195 PolarHBondContact O-N 3.14Å; E195-P197 WeakPolarHBondContact O-CD 3.48Å
196	S	50.2	Low	55.6	Low	66 Å²	66	126.3 Å²	126.3	46%	0.462	66%	0.664	S	S	.	*	S	Bend	trans	-64.7	114.1	166	-178.5	0	0	0	0	110.2	Q193 K194 F198	Q193-S196 VanDerWaalsContact O-CB 3.31Å; Q193-S196 WeakPolarHBondContact O-CB 3.19Å; Q193-S196 PolarHBondContact O-N 3.2Å; K194-S196 VanDerWaalsContact C-N 3.26Å; S196-F198 PolarHBondContact O-N 2.74Å
197	P	51.6	Low	52.9	Low	123 Å²	123	130.7 Å²	130.7	80%	0.799	68%	0.678	S	S	*	*	S	Bend	trans	-73	14.7	-171.6	-20.2	35	0	0	0	116.2	E195	E195-P197 WeakPolarHBondContact O-CD 3.48Å
198	F	42.7	Very low	50	Low	177 Å²	177	135.7 Å²	135.7	78%	0.776	70%	0.697	S	S	*	*			trans	-132.9	86.6	175	-79.9	-90.6	0	0	0	108.9	S196	S196-F198 PolarHBondContact O-N 2.74Å
199	D	35.4	Very low	47.4	Very low	164 Å²	164	136.8 Å²	136.8	88%	0.877	71%	0.705	S	S	*	*				-153.7	135.2	127.7	-123.7	-26.7	0	0	0	113.4
200	T	33	Very low	44.9	Very low	104 Å²	104	142.8 Å²	142.8	64%	0.638	72%	0.723	S	S	*	*			trans	-118.8	127.5	-174.5	-3.4	0	0	0	0	105.9
201	F	31.1	Very low	42.3	Very low	208 Å²	208	143.9 Å²	143.9	91%	0.912	73%	0.734	S	S	*	*			trans	55.3	98.7	163.7	-66.5	-84.6	0	0	0	117.1
202	G	32.7	Very low	39.9	Very low	77 Å²	77	146 Å²	146	79%	0.794	75%	0.75	S	S	*	*			trans	-165.2	128	161.7	0	0	0	0	0	109.8
203	E	29.1	Very low	37.6	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	77%	0.766	S	S	*	*			trans	-59.3	160.3	-176.2	-70.9	162	148	0	0	113.5	E205	E203-E205 PolarHBondContact O-N 3.14Å
204	E	28.4	Very low	35.4	Very low	199 Å²	199	150.3 Å²	150.3	93%	0.93	78%	0.777	S	S	*	*			trans	-48.7	101.6	175.8	-64.5	171.1	154.1	0	0	112.6
205	E	30.2	Very low	33.7	Very low	193 Å²	193	149.3 Å²	149.3	90%	0.902	78%	0.779	S	S	*	*			trans	-89.8	107.6	156	-77.7	-171	169.4	0	0	108.4	E203	E203-E205 PolarHBondContact O-N 3.14Å
206	G	29.1	Very low	32.5	Very low	68 Å²	68	147.1 Å²	147.1	70%	0.701	78%	0.777	S	S	*	*			trans	-58.3	144	177.4	0	0	0	0	0	112.2	H208	G206-H208 PolarHBondContact O-N 3.4Å
207	I	29.5	Very low	31.4	Very low	150 Å²	150	149.2 Å²	149.2	77%	0.769	79%	0.787	S	S	*	*			trans	-63.4	104.3	175.5	-55.4	174.7	0	0	0	108.1	L209	I207-L209 VanDerWaalsContact C-N 3.3Å; I207-L209 HydrophobicContact CG2-CD1 4.38Å; I207-L209 HydrophobicContact CG2-CD2 4.24Å; I207-L209 HydrophobicContact CG2-CG 3.79Å; I207-L209 PolarHBondContact O-N 3.23Å
208	H	26.4	Very low	30.6	Very low	167 Å²	167	151.2 Å²	151.2	77%	0.773	79%	0.789	S	S	*	*			trans	-72.6	85.3	169.8	-137.5	-83.3	0	0	0	107.7	G206 Y210	G206-H208 PolarHBondContact O-N 3.4Å; H208-Y210 PolarHBondContact O-N 2.99Å
209	L	29.1	Very low	30	Very low	116 Å²	116	151.2 Å²	151.2	61%	0.607	79%	0.792	S	S	*	*			trans	-76.2	123.5	172	-77.6	162.5	0	0	0	108.5	I207	I207-L209 VanDerWaalsContact C-N 3.3Å; I207-L209 HydrophobicContact CG2-CD1 4.38Å; I207-L209 HydrophobicContact CG2-CD2 4.24Å; I207-L209 HydrophobicContact CG2-CG 3.79Å; I207-L209 PolarHBondContact O-N 3.23Å
210	Y	29.8	Very low	29.7	Very low	208 Å²	208	149.4 Å²	149.4	82%	0.816	79%	0.789	S	S	*	*			trans	83.6	79.8	170.5	-42.4	-71.3	0	0	0	116.7	H208	H208-Y210 PolarHBondContact O-N 2.99Å
211	E	26.5	Very low	29.8	Very low	165 Å²	165	154.1 Å²	154.1	77%	0.771	80%	0.804	S	S	*	*			trans	-136.8	128.9	135.2	-109.6	176.7	-175	0	0	109.8
212	D	28.6	Very low	29.7	Very low	146 Å²	146	152.9 Å²	152.9	78%	0.781	80%	0.801	S	S	*	*			trans	61.5	103.1	158.5	-62.5	-16.1	0	0	0	120.5
213	S	31.4	Very low	29.5	Very low	116 Å²	116	160.4 Å²	160.4	81%	0.811	81%	0.807	S	S	*	*				-170.6	103.5	110.4	33.3	0	0	0	0	111.9	D215	S213-D215 PolarHBondContact O-N 3.46Å
214	F	28.4	Very low	29.6	Very low	205 Å²	205	159.4 Å²	159.4	90%	0.899	81%	0.807	S	S	*	*			trans	-66.5	96.9	158.4	-145.7	-95.1	0	0	0	107.6
215	D	29.7	Very low	29.5	Very low	126 Å²	126	155.5 Å²	155.5	67%	0.674	80%	0.802	S	S	*	*			trans	-135.6	88.7	162.9	-155	-11.6	0	0	0	110.4	S213 T217	S213-D215 PolarHBondContact O-N 3.46Å; D215-T217 VanDerWaalsContact C-N 3.29Å; D215-T217 PolarHBondContact O-N 3.34Å
216	T	29.2	Very low	29.5	Very low	119 Å²	119	149.8 Å²	149.8	73%	0.73	79%	0.794	S	S	*	*			trans	-75	82.1	169.9	44	0	0	0	0	109.6
217	T	28.2	Very low	29.4	Very low	110 Å²	110	156 Å²	156	68%	0.675	81%	0.805	S	S	*	*			trans	-127.1	81.1	159.9	42.4	0	0	0	0	109.1	D215	D215-T217 VanDerWaalsContact C-N 3.29Å; D215-T217 PolarHBondContact O-N 3.34Å
218	I	33.8	Very low	29.3	Very low	164 Å²	164	152.4 Å²	152.4	84%	0.841	81%	0.805	S	S	*	*			trans	-99.9	105.7	168.9	-62.6	174	0	0	0	107.1
219	E	30	Very low	29.4	Very low	177 Å²	177	150.3 Å²	150.3	83%	0.827	81%	0.807	S	S	*	*			trans	-74.5	150.3	163.7	-71.7	-166.4	157.9	0	0	110.2
220	P	30.3	Very low	29.2	Very low	126 Å²	126	150.7 Å²	150.7	82%	0.818	82%	0.819	S	S	*	*			trans	-92.6	118.5	-164.5	33.1	-26.3	0	0	0	111.4
221	E	34	Very low	29.2	Very low	203 Å²	203	145.1 Å²	145.1	95%	0.949	82%	0.816	S	S	*	*			trans	-111.4	153.1	169.2	-83	-168.8	166	0	0	113.8
222	E	29.5	Very low	29.3	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	82%	0.819	S	S	*	*			trans	-81.2	140.7	-150.3	-122.9	167.7	162.3	0	0	113.9	L224	E222-L224 PolarHBondContact O-N 3.09Å
223	Y	29.1	Very low	29.1	Very low	235 Å²	235	143.2 Å²	143.2	92%	0.922	82%	0.823	S	S	*	*			trans	-54	123	169.5	-71.8	-100.3	0	0	0	111.7
224	L	31.1	Very low	28.8	Very low	171 Å²	171	146.2 Å²	146.2	90%	0.895	82%	0.824	S	S	*	*			trans	-108.6	109.5	163.8	-84.3	166.8	0	0	0	110.9	E222	E222-L224 PolarHBondContact O-N 3.09Å
225	S	25.8	Very low	28.6	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	81%	0.812	S	S	*	*			trans	-62.5	124.5	159.2	51.8	0	0	0	0	110.8
226	G	29.8	Very low	28.5	Very low	72 Å²	72	143.4 Å²	143.4	74%	0.742	82%	0.82	S	S	*	*			trans	-165.9	119.6	171.6	0	0	0	0	0	111.5
227	E	27.5	Very low	28.3	Very low	199 Å²	199	145 Å²	145	93%	0.93	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-57	132.2	-179.3	-66.3	169.3	153.1	0	0	112
228	G	27.8	Very low	28.5	Very low	75 Å²	75	146.6 Å²	146.6	77%	0.773	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-63.8	129.5	-174.9	0	0	0	0	0	113.3
229	P	29	Very low	28.2	Very low	123 Å²	123	145.6 Å²	145.6	80%	0.799	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-81.7	134.2	178.3	30.4	-30	0	0	0	111.7
230	S	24.3	Very low	28.2	Very low	124 Å²	124	146.8 Å²	146.8	87%	0.867	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-69	117.4	161.3	49.2	0	0	0	0	110.3
231	A	29.2	Very low	28	Very low	90 Å²	90	149 Å²	149	74%	0.744	82%	0.824	S	S	*	*			trans	-144.4	153.7	170.2	0	0	0	0	0	112.3
232	P	28.2	Very low	27.7	Very low	131 Å²	131	144.6 Å²	144.6	85%	0.851	81%	0.812	S	S	*	*			trans	-106	171.4	-153.9	36.4	-25.2	0	0	0	115.8
233	V	24.3	Very low	27.7	Very low	140 Å²	140	146.3 Å²	146.3	85%	0.848	81%	0.812	S	S	*	*			trans	-63.2	131.9	179.6	179	0	0	0	0	114.3
234	E	24.9	Very low	27.8	Very low	180 Å²	180	141.6 Å²	141.6	84%	0.841	80%	0.798	S	S	*	*			trans	-174.2	104.7	143.1	-104.5	174.7	-171	0	0	107.5
235	S	25.9	Very low	27.8	Very low	92 Å²	92	137 Å²	137	64%	0.643	79%	0.792	S	S	*	*				89.8	132.7	86.3	84.4	0	0	0	0	115.8
236	Q	27	Very low	28.1	Very low	179 Å²	179	136 Å²	136	84%	0.836	78%	0.777	S	S	*	*			trans	95.6	94.7	156.1	-58.2	-173.4	2.7	0	0	119.8
237	D	25.8	Very low	28.4	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	77%	0.767	S	S	*	*			trans	22.6	117.7	130.1	-70.1	-38.3	0	0	0	119
238	T	31.6	Very low	28.8	Very low	145 Å²	145	129.2 Å²	129.2	89%	0.89	73%	0.731	S	S	*	*				-154.6	124.1	126.7	23.7	0	0	0	0	111	K240	T238-K240 PolarHBondContact O-N 3.24Å
239	N	26.8	Very low	29.4	Very low	143 Å²	143	129.9 Å²	129.9	77%	0.765	71%	0.714	S	S	*	*			trans	-62.1	116.6	177.5	-76.9	-57.5	0	0	0	112.9
240	K	29.9	Very low	30.4	Very low	202 Å²	202	128.6 Å²	128.6	88%	0.878	70%	0.704	S	S	*	*			trans	-144.5	110.7	142.2	-83.9	-171.8	179.3	174.6	0	108.7	T238 T242	T238-K240 PolarHBondContact O-N 3.24Å; K240-T242 PolarHBondContact O-N 3.4Å
241	R	25.7	Very low	31.8	Very low	171 Å²	171	131 Å²	131	65%	0.645	70%	0.701	S	S	*	*			trans	-83.6	96.8	178.5	-66.1	171.9	175.3	-151.5	-14.5	108.3
242	T	27.9	Very low	33.2	Very low	111 Å²	111	130.1 Å²	130.1	68%	0.681	69%	0.687	S	S	*	*			trans	-83.1	123	159.5	17.4	0	0	0	0	107.6	K240 E244	K240-T242 PolarHBondContact O-N 3.4Å; T242-E244 VanDerWaalsContact C-N 3.32Å; T242-E244 PolarHBondContact O-N 3.09Å
243	Y	29.1	Very low	35	Very low	219 Å²	219	127.5 Å²	127.5	86%	0.859	67%	0.669	S	S	*	*			trans	-75.7	85.3	177.9	-82.6	-93.9	0	0	0	108.6
244	E	31.9	Very low	37.1	Very low	136 Å²	136	126.4 Å²	126.4	64%	0.636	66%	0.656	S	S	*	*			trans	-89.4	106.1	167.3	-69.2	-173.2	148.3	0	0	108.2	T242	T242-E244 VanDerWaalsContact C-N 3.32Å; T242-E244 PolarHBondContact O-N 3.09Å
245	G	31	Very low	39.3	Very low	75 Å²	75	122.9 Å²	122.9	77%	0.773	64%	0.64	S	S	*	*			trans	-77.3	134	-179.3	0	0	0	0	0	111.5
246	L	31.7	Very low	41.5	Very low	96 Å²	96	125.6 Å²	125.6	50%	0.503	64%	0.64	S	S	.	*			trans	-127.2	133.1	158.6	-83.1	156.4	0	0	0	108.2	L172	L172-L246 HydrophobicContact CD2-CD1 4.17Å
247	I	36.8	Very low	43.8	Very low	102 Å²	102	120.8 Å²	120.8	52%	0.523	62%	0.62	S	S	.	*			trans	-77.7	125.7	-171.1	-65.1	163.3	0	0	0	108.1	Q249	I247-Q249 PolarHBondContact O-N 2.83Å
248	P	36.8	Very low	46.2	Very low	28 Å²	28	116.8 Å²	116.8	18%	0.182	60%	0.598	C	S	.	*			trans	-56.7	123	176.1	-24.3	33.8	0	0	0	110.4	V250 I516 F520 W817	P248-V250 PolarHBondContact O-N 3.4Å; P248-I516 HydrophobicContact CB-CD1 4.41Å; P248-F520 HydrophobicContact CB-CE1 4.48Å; P248-F520 HydrophobicContact CB-CE2 4.18Å; P248-F520 HydrophobicContact CB-CZ 3.58Å; P248-F520 HydrophobicContact CG-CE1 3.8Å; P248-F520 HydrophobicContact CG-CE2 4.37Å; P248-F520 HydrophobicContact CG-CZ 3.36Å; P248-W817 HydrophobicContact CG-CH2 4.46Å; P248-W817 HydrophobicContact CG-CZ3 4.11Å
249	Q	39.5	Very low	48.5	Very low	88 Å²	88	115.4 Å²	115.4	41%	0.411	58%	0.582	S	S	.	*			trans	-56.2	105.7	179.6	-74.8	-175.7	-17.8	0	0	109.5	Y163 D167 I247 E251	Y163-Q249 HydrophobicContact CE1-CB 4.39Å; Y163-Q249 HydrophobicContact CE1-CG 4.07Å; Y163-Q249 PolarHBondContact O-NE2 3.49Å; Y163-Q249 VanDerWaalsContact O-NE2 3.13Å; D167-Q249 PolarHBondContact OD1-NE2 2.86Å; D167-Q249 PolarHBondContact OD2-NE2 3.44Å; D167-Q249 PolarHBondContact OD2-OE1 3.45Å; I247-Q249 PolarHBondContact O-N 2.83Å; Q249-E251 PolarHBondContact O-N 3.31Å
250	V	49.4	Very low	51.2	Low	97 Å²	97	113.3 Å²	113.3	59%	0.588	57%	0.567	S	S	*	*			trans	-61	120.5	159.7	175.4	0	0	0	0	105.5	Y163 P248 V252 F520	Y163-V250 PolarHBondContact OH-O 3.47Å; P248-V250 PolarHBondContact O-N 3.4Å; V250-V252 PolarHBondContact O-N 2.87Å; V250-F520 HydrophobicContact CG2-CD2 4.38Å; V250-F520 HydrophobicContact CG2-CE2 4.31Å
251	E	55.2	Low	53.5	Low	173 Å²	173	106.6 Å²	106.6	81%	0.808	55%	0.549	S	S	*	.			trans	-52.6	101.8	176.5	-67.3	-177	174.8	0	0	109.5	Q249 P253	Q249-E251 PolarHBondContact O-N 3.31Å; E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.35Å
252	V	58	Low	56.3	Low	73 Å²	73	102.7 Å²	102.7	44%	0.442	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-70.9	119.1	177.6	-179.2	0	0	0	0	106.4	A158 Y163 V250 M254	A158-V252 HydrophobicContact CB-CG1 4.46Å; Y163-V252 HydrophobicContact CD1-CG2 4.48Å; Y163-V252 HydrophobicContact CE1-CG2 3.85Å; Y163-V252 HydrophobicContact CE2-CG2 4.26Å; V250-V252 PolarHBondContact O-N 2.87Å; V252-M254 PolarHBondContact O-N 2.91Å
253	P	64.9	Low	59.1	Low	75 Å²	75	101.7 Å²	101.7	49%	0.487	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-55.7	134.6	-179.6	-24.9	34.1	0	0	0	110.5	E251 D257 I258	E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.35Å; P253-D257 HydrophobicContact CB-CB 3.9Å; P253-I258 HydrophobicContact CB-CG1 3.93Å
254	M	69.1	Low	61.7	Low	118 Å²	118	94.8 Å²	94.8	58%	0.581	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-62.2	156.1	176.3	-66.5	-72.5	-75.4	0	0	109.3	V252 K256 D257 I258	V252-M254 PolarHBondContact O-N 2.91Å; M254-K256 PolarHBondContact O-N 3.23Å; M254-D257 WeakPolarHBondContact CB-OD2 3.44Å; M254-D257 PolarHBondContact N-OD2 3.34Å; M254-D257 WeakPolarHBondContact O-CA 3.45Å; M254-D257 WeakPolarHBondContact O-CB 3.48Å; M254-D257 PolarHBondContact O-N 2.92Å; M254-I258 PolarHBondContact O-N 3.34Å
255	Q	70.7	Confident	64.2	Low	106 Å²	106	96.1 Å²	96.1	50%	0.495	51%	0.508	S	S	.	.	H	α-helix	trans	-50.1	-33.1	177.5	-172.3	67.1	12.5	0	0	112.4	E259	Q255-E259 WeakPolarHBondContact O-CB 3.3Å; Q255-E259 VanDerWaalsContact O-CG 3.28Å; Q255-E259 WeakPolarHBondContact O-CG 3.48Å; Q255-E259 PolarHBondContact O-N 3.26Å
256	K	72.7	Confident	66.7	Low	148 Å²	148	98.8 Å²	98.8	64%	0.643	50%	0.498	S	S	*	.	H	α-helix	trans	-70.9	-37.5	176.2	-169.9	179.1	176.1	-174.6	0	113.5	M254 I258 E259 E260	M254-K256 PolarHBondContact O-N 3.23Å; K256-I258 VanDerWaalsContact C-N 3.35Å; K256-E259 PolarHBondContact O-N 3.17Å; K256-E260 WeakPolarHBondContact O-CB 3.32Å; K256-E260 PolarHBondContact O-N 3.48Å
257	D	74.6	Confident	69	Low	79 Å²	79	99.5 Å²	99.5	42%	0.422	50%	0.497	S	S	.	.	H	α-helix	trans	-68.6	-39.3	176.3	-54.9	-34	0	0	0	110.1	P253 M254 E260 A261	P253-D257 HydrophobicContact CB-CB 3.9Å; M254-D257 WeakPolarHBondContact CB-OD2 3.44Å; M254-D257 PolarHBondContact N-OD2 3.34Å; M254-D257 WeakPolarHBondContact O-CA 3.45Å; M254-D257 WeakPolarHBondContact O-CB 3.48Å; M254-D257 PolarHBondContact O-N 2.92Å; D257-E260 PolarHBondContact O-N 2.98Å; D257-A261 WeakPolarHBondContact O-CB 3.42Å; D257-A261 PolarHBondContact O-N 3.29Å
258	I	77	Confident	71	Confident	67 Å²	67	101.2 Å²	101.2	34%	0.344	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-47	171.8	-58.8	174.8	0	0	0	110	P253 M254 K256 E260 A261 L262	P253-I258 HydrophobicContact CB-CG1 3.93Å; M254-I258 PolarHBondContact O-N 3.34Å; K256-I258 VanDerWaalsContact C-N 3.35Å; I258-E260 PolarHBondContact O-N 3.33Å; I258-A261 PolarHBondContact O-N 3.3Å; I258-L262 HydrophobicContact CG2-CD1 3.86Å; I258-L262 HydrophobicContact CG2-CG 4.3Å; I258-L262 VanDerWaalsContact O-CB 3.24Å; I258-L262 WeakPolarHBondContact O-CB 3.49Å; I258-L262 WeakPolarHBondContact O-CG 3.34Å; I258-L262 PolarHBondContact O-N 3.28Å
259	E	80.8	Confident	73	Confident	117 Å²	117	103.5 Å²	103.5	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-41.1	177.3	-78.9	179.3	-173.8	0	0	112.4	Q255 K256 L263	Q255-E259 WeakPolarHBondContact O-CB 3.3Å; Q255-E259 VanDerWaalsContact O-CG 3.28Å; Q255-E259 WeakPolarHBondContact O-CG 3.48Å; Q255-E259 PolarHBondContact O-N 3.26Å; K256-E259 PolarHBondContact O-N 3.17Å; E259-L263 WeakPolarHBondContact O-CB 3.5Å; E259-L263 PolarHBondContact O-N 3.04Å
260	E	81.9	Confident	74.9	Confident	99 Å²	99	103.8 Å²	103.8	46%	0.463	51%	0.513	S	S	.	.	H	α-helix	trans	-69.8	-43.9	177.8	-177.5	164.5	-171.7	0	0	112.1	K256 D257 I258 L263 N264	K256-E260 WeakPolarHBondContact O-CB 3.32Å; K256-E260 PolarHBondContact O-N 3.48Å; D257-E260 PolarHBondContact O-N 2.98Å; I258-E260 PolarHBondContact O-N 3.33Å; E260-L263 PolarHBondContact O-N 3.27Å; E260-N264 WeakPolarHBondContact O-CB 3.47Å; E260-N264 PolarHBondContact O-N 2.96Å; E260-N264 PolarHBondContact O-ND2 3.04Å
261	A	79.1	Confident	76.1	Confident	60 Å²	60	104.6 Å²	104.6	50%	0.496	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-43.9	174.4	0	0	0	0	0	111.2	D257 I258 L263 N264 R265	D257-A261 WeakPolarHBondContact O-CB 3.42Å; D257-A261 PolarHBondContact O-N 3.29Å; I258-A261 PolarHBondContact O-N 3.3Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.37Å; A261-N264 PolarHBondContact O-N 2.8Å; A261-R265 VanDerWaalsContact O-CB 3.27Å; A261-R265 WeakPolarHBondContact O-CB 3.49Å; A261-R265 PolarHBondContact O-N 2.95Å
262	L	84.4	Confident	76.9	Confident	89 Å²	89	102.9 Å²	102.9	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-39.5	174.2	-75.6	173.4	0	0	0	111.8	I258 K266	I258-L262 HydrophobicContact CG2-CD1 3.86Å; I258-L262 HydrophobicContact CG2-CG 4.3Å; I258-L262 VanDerWaalsContact O-CB 3.24Å; I258-L262 WeakPolarHBondContact O-CB 3.49Å; I258-L262 WeakPolarHBondContact O-CG 3.34Å; I258-L262 PolarHBondContact O-N 3.28Å; L262-K266 WeakPolarHBondContact O-CB 3.45Å; L262-K266 WeakPolarHBondContact O-CG 3.31Å; L262-K266 PolarHBondContact O-N 2.87Å
263	L	87.2	Confident	77.5	Confident	91 Å²	91	107.1 Å²	107.1	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-66.4	-44.6	176.6	-176.2	71.1	0	0	0	111.2	E259 E260 A261 K266 K267	E259-L263 WeakPolarHBondContact O-CB 3.5Å; E259-L263 PolarHBondContact O-N 3.04Å; E260-L263 PolarHBondContact O-N 3.27Å; A261-L263 VanDerWaalsContact C-N 3.35Å; A261-L263 PolarHBondContact O-N 3.37Å; L263-K266 PolarHBondContact O-N 3.37Å; L263-K267 HydrophobicContact CG-CD 4.44Å; L263-K267 WeakPolarHBondContact O-CB 3.49Å; L263-K267 VanDerWaalsContact O-CG 3.31Å; L263-K267 WeakPolarHBondContact O-CG 3.34Å; L263-K267 PolarHBondContact O-N 3.16Å
264	N	82.8	Confident	77.7	Confident	74 Å²	74	112.2 Å²	112.2	40%	0.396	53%	0.529	S	S	.	.	H	α-helix	trans	-66.9	-41.3	178.9	-74.5	-20.1	0	0	0	111.4	E260 A261 K267 K268	E260-N264 WeakPolarHBondContact O-CB 3.47Å; E260-N264 PolarHBondContact O-N 2.96Å; E260-N264 PolarHBondContact O-ND2 3.04Å; A261-N264 PolarHBondContact O-N 2.8Å; N264-K267 PolarHBondContact O-N 3.25Å; N264-K268 WeakPolarHBondContact O-CB 3.16Å; N264-K268 PolarHBondContact O-N 2.98Å
265	R	84.4	Confident	77.4	Confident	164 Å²	164	107.6 Å²	107.6	62%	0.619	51%	0.509	S	S	*	.	H	α-helix	trans	-59	-48.9	170.9	-177	177.3	174.5	164.2	5.7	111.4	A261 K267 K268 E269	A261-R265 VanDerWaalsContact O-CB 3.27Å; A261-R265 WeakPolarHBondContact O-CB 3.49Å; A261-R265 PolarHBondContact O-N 2.95Å; R265-K267 PolarHBondContact O-N 3.5Å; R265-K268 PolarHBondContact O-N 3.24Å; R265-E269 WeakPolarHBondContact CG-OE1 3.45Å; R265-E269 IonicContact CZ-OE1 2.77Å; R265-E269 IonicContact NE-OE1 2.63Å; R265-E269 PolarHBondContact NE-OE1 3.43Å; R265-E269 IonicContact NH2-OE1 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.49Å; R265-E269 PolarHBondContact O-N 3.05Å
266	K	83.9	Confident	77	Confident	130 Å²	130	106 Å²	106	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-62.3	-38.7	176.2	-78.7	-178.4	-179.7	176.4	0	112.7	L262 L263 L270	L262-K266 WeakPolarHBondContact O-CB 3.45Å; L262-K266 WeakPolarHBondContact O-CG 3.31Å; L262-K266 PolarHBondContact O-N 2.87Å; L263-K266 PolarHBondContact O-N 3.37Å; K266-L270 VanDerWaalsContact O-CB 3.26Å; K266-L270 WeakPolarHBondContact O-CB 3.18Å; K266-L270 WeakPolarHBondContact O-CG 3.48Å; K266-L270 PolarHBondContact O-N 2.98Å
267	K	80.6	Confident	76.7	Confident	112 Å²	112	106.8 Å²	106.8	49%	0.487	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-44.8	174.5	-77.3	171.9	-176.3	166.5	0	110.8	L263 N264 R265 L270 L271	L263-K267 HydrophobicContact CG-CD 4.44Å; L263-K267 WeakPolarHBondContact O-CB 3.49Å; L263-K267 VanDerWaalsContact O-CG 3.31Å; L263-K267 WeakPolarHBondContact O-CG 3.34Å; L263-K267 PolarHBondContact O-N 3.16Å; N264-K267 PolarHBondContact O-N 3.25Å; R265-K267 PolarHBondContact O-N 3.5Å; K267-L270 PolarHBondContact O-N 3.42Å; K267-L271 VanDerWaalsContact O-CB 3.3Å; K267-L271 WeakPolarHBondContact O-CB 3.25Å; K267-L271 PolarHBondContact O-N 3.03Å
268	K	77.1	Confident	76.5	Confident	137 Å²	137	105.8 Å²	105.8	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-48	177.2	-171.5	-180	176.5	-177.2	0	111.6	N264 R265 L270 L271 E272	N264-K268 WeakPolarHBondContact O-CB 3.16Å; N264-K268 PolarHBondContact O-N 2.98Å; R265-K268 PolarHBondContact O-N 3.24Å; K268-L270 VanDerWaalsContact C-N 3.32Å; K268-L270 PolarHBondContact O-N 3.29Å; K268-L271 PolarHBondContact O-N 3.09Å; K268-L271 VanDerWaalsContact O-N 3.12Å; K268-E272 WeakPolarHBondContact CE-OE1 3.43Å; K268-E272 WeakPolarHBondContact O-CG 3.24Å; K268-E272 PolarHBondContact O-N 3Å
269	E	80.2	Confident	76	Confident	76 Å²	76	106.8 Å²	106.8	36%	0.355	52%	0.524	S	S	.	.	H	α-helix	trans	-61.7	-37.6	176.1	-71.7	173.9	-170.9	0	0	112.3	R265 K273	R265-E269 WeakPolarHBondContact CG-OE1 3.45Å; R265-E269 IonicContact CZ-OE1 2.77Å; R265-E269 IonicContact NE-OE1 2.63Å; R265-E269 PolarHBondContact NE-OE1 3.43Å; R265-E269 IonicContact NH2-OE1 3.41Å; R265-E269 WeakPolarHBondContact O-CG 3.49Å; R265-E269 PolarHBondContact O-N 3.05Å; E269-K273 WeakPolarHBondContact O-CB 3.19Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.05Å
270	L	78.9	Confident	75.2	Confident	95 Å²	95	106 Å²	106	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-69.1	-38.5	173.7	-75.9	171.4	0	0	0	111.7	K266 K267 K268 K273 Y274	K266-L270 VanDerWaalsContact O-CB 3.26Å; K266-L270 WeakPolarHBondContact O-CB 3.18Å; K266-L270 WeakPolarHBondContact O-CG 3.48Å; K266-L270 PolarHBondContact O-N 2.98Å; K267-L270 PolarHBondContact O-N 3.42Å; K268-L270 VanDerWaalsContact C-N 3.32Å; K268-L270 PolarHBondContact O-N 3.29Å; L270-K273 PolarHBondContact O-N 3.36Å; L270-Y274 HydrophobicContact CB-CD2 4.37Å; L270-Y274 HydrophobicContact CD2-CD2 3.68Å; L270-Y274 HydrophobicContact CD2-CE2 3.44Å; L270-Y274 VanDerWaalsContact CD2-CE2 3.44Å; L270-Y274 VanDerWaalsContact O-CB 3.3Å; L270-Y274 WeakPolarHBondContact O-CB 3.37Å; L270-Y274 WeakPolarHBondContact O-CD2 3.21Å; L270-Y274 PolarHBondContact O-N 3.26Å
271	L	73.6	Confident	74.3	Confident	114 Å²	114	106.5 Å²	106.5	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-67.5	-40.6	177.8	-151.1	144.3	0	0	0	110.1	K267 K268 K273 A275	K267-L271 VanDerWaalsContact O-CB 3.3Å; K267-L271 WeakPolarHBondContact O-CB 3.25Å; K267-L271 PolarHBondContact O-N 3.03Å; K268-L271 PolarHBondContact O-N 3.09Å; K268-L271 VanDerWaalsContact O-N 3.12Å; L271-K273 PolarHBondContact O-N 2.78Å; L271-A275 HydrophobicContact CD2-CB 4.34Å; L271-A275 WeakPolarHBondContact O-CA 3.45Å; L271-A275 WeakPolarHBondContact O-CB 3.38Å; L271-A275 PolarHBondContact O-N 2.66Å
272	E	72	Confident	73.6	Confident	136 Å²	136	109.4 Å²	109.4	64%	0.636	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-38.2	172.1	-73.4	170.5	-171.5	0	0	112.6	K268	K268-E272 WeakPolarHBondContact CE-OE1 3.43Å; K268-E272 WeakPolarHBondContact O-CG 3.24Å; K268-E272 PolarHBondContact O-N 3Å
273	K	72.4	Confident	72.3	Confident	162 Å²	162	108.8 Å²	108.8	70%	0.704	53%	0.531	S	S	*	.	H	α-helix	trans	-78.6	-32.1	179.3	-78.1	-178.4	179.7	177.2	0	114.9	E269 L270 L271	E269-K273 WeakPolarHBondContact O-CB 3.19Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.05Å; L270-K273 PolarHBondContact O-N 3.36Å; L271-K273 PolarHBondContact O-N 2.78Å
274	Y	67.8	Low	70.9	Confident	182 Å²	182	109.7 Å²	109.7	71%	0.714	54%	0.536	S	S	*	.	H	α-helix	trans	-120.1	-2.3	-170	-66.1	-77.1	0	0	0	114.3	L270 S276	L270-Y274 HydrophobicContact CB-CD2 4.37Å; L270-Y274 HydrophobicContact CD2-CD2 3.68Å; L270-Y274 HydrophobicContact CD2-CE2 3.44Å; L270-Y274 VanDerWaalsContact CD2-CE2 3.44Å; L270-Y274 VanDerWaalsContact O-CB 3.3Å; L270-Y274 WeakPolarHBondContact O-CB 3.37Å; L270-Y274 WeakPolarHBondContact O-CD2 3.21Å; L270-Y274 PolarHBondContact O-N 3.26Å; Y274-S276 PolarHBondContact O-N 3.13Å
275	A	64.3	Low	69.7	Low	21 Å²	21	111 Å²	111	17%	0.174	54%	0.539	C	S	.	.			trans	-60.6	108.4	166	0	0	0	0	0	107.6	L271 E277 L280	L271-A275 HydrophobicContact CD2-CB 4.34Å; L271-A275 WeakPolarHBondContact O-CA 3.45Å; L271-A275 WeakPolarHBondContact O-CB 3.38Å; L271-A275 PolarHBondContact O-N 2.66Å; A275-E277 PolarHBondContact O-N 3.25Å; A275-L280 HydrophobicContact CB-CG 4.32Å
276	S	61.7	Low	68.3	Low	72 Å²	72	106 Å²	106	50%	0.503	53%	0.533	S	S	.	.			trans	-55.4	138.3	170.6	54	0	0	0	0	108.6	Y274 A278 L279	Y274-S276 PolarHBondContact O-N 3.13Å; S276-A278 PolarHBondContact O-N 2.95Å; S276-L279 WeakPolarHBondContact O-CB 3.4Å; S276-L279 PolarHBondContact O-N 3.47Å
277	E	65.5	Low	66.7	Low	165 Å²	165	109.5 Å²	109.5	77%	0.771	54%	0.543	S	S	*	.	H	α-helix	trans	-45.8	-37.3	176.2	-74.1	172.2	153.2	0	0	112.1	A275 L279 L280 Q281	A275-E277 PolarHBondContact O-N 3.25Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 2.77Å; E277-L280 PolarHBondContact O-N 2.75Å; E277-Q281 WeakPolarHBondContact O-CB 3.08Å; E277-Q281 PolarHBondContact O-N 2.86Å
278	A	70.7	Confident	65.1	Low	59 Å²	59	108.5 Å²	108.5	49%	0.488	55%	0.547	S	S	.	.	H	α-helix	trans	-55.7	-36.2	174.9	0	0	0	0	0	115.1	S276 Q282	S276-A278 PolarHBondContact O-N 2.95Å; A278-Q282 WeakPolarHBondContact O-CG 3.18Å; A278-Q282 PolarHBondContact O-N 2.5Å
279	L	67.2	Low	63.8	Low	87 Å²	87	109.1 Å²	109.1	46%	0.455	56%	0.556	S	S	.	*	H	α-helix	trans	-75.3	-38.8	-180	-175.4	69.5	0	0	0	111.3	S276 E277 Q281 C283	S276-L279 WeakPolarHBondContact O-CB 3.4Å; S276-L279 PolarHBondContact O-N 3.47Å; E277-L279 VanDerWaalsContact C-N 3.32Å; E277-L279 PolarHBondContact O-N 2.77Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; L279-C283 PolarHBondContact O-N 2.96Å; L279-C283 VanDerWaalsContact O-N 3.16Å
280	L	63.7	Low	62.1	Low	102 Å²	102	114 Å²	114	53%	0.534	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-39.1	173.3	-70.4	170.7	0	0	0	110.6	A275 E277 C283 L284	A275-L280 HydrophobicContact CB-CG 4.32Å; E277-L280 PolarHBondContact O-N 2.75Å; L280-C283 PolarHBondContact O-N 3.23Å; L280-L284 WeakPolarHBondContact O-CG 2.97Å; L280-L284 PolarHBondContact O-N 3.47Å; L280-L284 VanDerWaalsContact O-N 3.1Å
281	Q	63	Low	60.3	Low	108 Å²	108	112.2 Å²	112.2	51%	0.505	59%	0.586	S	S	.	*	H	α-helix	trans	-65.9	-43.6	178.3	-155	141.2	-3.4	0	0	112	E277 L279 C283 L284 E285	E277-Q281 WeakPolarHBondContact O-CB 3.08Å; E277-Q281 PolarHBondContact O-N 2.86Å; L279-Q281 VanDerWaalsContact C-N 3.29Å; Q281-C283 PolarHBondContact O-N 3.16Å; Q281-L284 PolarHBondContact O-N 3.45Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 2.86Å
282	Q	65.3	Low	59	Low	121 Å²	121	112.3 Å²	112.3	57%	0.565	59%	0.585	S	S	*	*	H	α-helix	trans	-62.5	-38.1	174.3	-76.7	178.5	-4.8	0	0	113.4	A278 L284 E285 A286	A278-Q282 WeakPolarHBondContact O-CG 3.18Å; A278-Q282 PolarHBondContact O-N 2.5Å; Q282-L284 VanDerWaalsContact C-N 3.32Å; Q282-L284 PolarHBondContact O-N 3.43Å; Q282-E285 PolarHBondContact O-N 2.82Å; Q282-A286 WeakPolarHBondContact O-CB 3.22Å; Q282-A286 PolarHBondContact O-N 2.97Å
283	C	56.9	Low	57.5	Low	77 Å²	77	110.7 Å²	110.7	52%	0.52	58%	0.584	S	S	.	*	H	α-helix	trans	-65.3	-35.3	174.4	-83.1	0	0	0	0	112.4	L279 L280 Q281 R287	L279-C283 PolarHBondContact O-N 2.96Å; L279-C283 VanDerWaalsContact O-N 3.16Å; L280-C283 PolarHBondContact O-N 3.23Å; Q281-C283 PolarHBondContact O-N 3.16Å; C283-R287 WeakPolarHBondContact O-CG 3.48Å; C283-R287 PolarHBondContact O-N 3.11Å
284	L	57.8	Low	55.9	Low	109 Å²	109	110.4 Å²	110.4	57%	0.571	59%	0.59	S	S	*	*	H	α-helix	trans	-72.6	-39.5	175.5	-72.4	166.1	0	0	0	111.9	L280 Q281 Q282 R287 T288	L280-L284 WeakPolarHBondContact O-CG 2.97Å; L280-L284 PolarHBondContact O-N 3.47Å; L280-L284 VanDerWaalsContact O-N 3.1Å; Q281-L284 PolarHBondContact O-N 3.45Å; Q281-L284 VanDerWaalsContact O-N 3.15Å; Q282-L284 VanDerWaalsContact C-N 3.32Å; Q282-L284 PolarHBondContact O-N 3.43Å; L284-R287 PolarHBondContact O-N 3Å; L284-T288 PolarHBondContact O-N 3.21Å; L284-T288 PolarHBondContact O-OG1 3.43Å
285	E	57.7	Low	54.6	Low	101 Å²	101	106.8 Å²	106.8	47%	0.472	58%	0.578	S	S	.	*	H	α-helix	trans	-60.8	-44.1	173.2	-75.9	174.2	-178.3	0	0	111.6	Q281 Q282 R287 T288 L289	Q281-E285 WeakPolarHBondContact O-CG 3.44Å; Q281-E285 PolarHBondContact O-N 2.86Å; Q282-E285 PolarHBondContact O-N 2.82Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.46Å; E285-T288 VanDerWaalsContact CA-OG1 3.25Å; E285-T288 WeakPolarHBondContact CA-OG1 3.35Å; E285-T288 PolarHBondContact O-N 3.39Å; E285-T288 PolarHBondContact O-OG1 3.21Å; E285-L289 PolarHBondContact O-N 2.9Å
286	A	54.4	Low	53.6	Low	59 Å²	59	107.2 Å²	107.2	49%	0.488	58%	0.582	S	S	.	*	H	α-helix	trans	-63.2	-35	177.1	0	0	0	0	0	112.6	Q282	Q282-A286 WeakPolarHBondContact O-CB 3.22Å; Q282-A286 PolarHBondContact O-N 2.97Å
287	R	51.3	Low	52.7	Low	204 Å²	204	107.2 Å²	107.2	77%	0.77	59%	0.586	S	S	*	*	H	α-helix	trans	-70.8	-36.2	175.6	-77.3	179.5	173.2	-175.3	-3.4	112.7	C283 L284 E285	C283-R287 WeakPolarHBondContact O-CG 3.48Å; C283-R287 PolarHBondContact O-N 3.11Å; L284-R287 PolarHBondContact O-N 3Å; E285-R287 VanDerWaalsContact C-N 3.29Å; E285-R287 PolarHBondContact O-N 3.46Å
288	T	46.6	Very low	51.5	Low	92 Å²	92	103.7 Å²	103.7	56%	0.564	58%	0.576	S	S	*	*	H	α-helix	trans	-74.8	-29.2	179.2	30.5	0	0	0	0	112.8	L284 E285 M290	L284-T288 PolarHBondContact O-N 3.21Å; L284-T288 PolarHBondContact O-OG1 3.43Å; E285-T288 VanDerWaalsContact CA-OG1 3.25Å; E285-T288 WeakPolarHBondContact CA-OG1 3.35Å; E285-T288 PolarHBondContact O-N 3.39Å; E285-T288 PolarHBondContact O-OG1 3.21Å; T288-M290 PolarHBondContact O-N 2.93Å
289	L	48.8	Very low	50.1	Low	150 Å²	150	105.1 Å²	105.1	79%	0.785	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-22.2	178.1	-122.4	139.8	0	0	0	114.1	E285	E285-L289 PolarHBondContact O-N 2.9Å
290	M	45.1	Very low	49	Very low	177 Å²	177	102.7 Å²	102.7	87%	0.872	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	2.8	-171.1	-77.6	-118.7	-76.5	0	0	116.2	T288	T288-M290 PolarHBondContact O-N 2.93Å
291	G	40.5	Very low	48.2	Very low	59 Å²	59	103.3 Å²	103.3	61%	0.608	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.2	-2.5	-177.5	0	0	0	0	0	125.7
292	I	45.6	Very low	47.4	Very low	115 Å²	115	101.4 Å²	101.4	59%	0.59	57%	0.566	S	S	*	*			trans	-129.2	-0.7	-160.4	-57	-178.2	0	0	0	117.1	L294 A296	I292-L294 PolarHBondContact O-N 3.42Å; I292-A296 HydrophobicContact CG2-CB 4.25Å; I292-A296 PolarHBondContact O-N 3.2Å
293	V	41.2	Very low	46.7	Very low	102 Å²	102	99.1 Å²	99.1	62%	0.618	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-31.4	-168.5	-176.4	0	0	0	0	115
294	L	38.7	Very low	46	Very low	157 Å²	157	99.3 Å²	99.3	82%	0.822	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-23.9	179.5	-74.4	168.3	0	0	0	114.1	I292	I292-L294 PolarHBondContact O-N 3.42Å
295	F	41.2	Very low	45.4	Very low	106 Å²	106	101.1 Å²	101.1	47%	0.465	56%	0.564	S	S	.	*	H	α-helix	trans	-83.7	-30.3	-174.2	-153.2	-98	0	0	0	112.7	A297 T298 Y299 L439 L443	F295-A297 PolarHBondContact O-N 3.04Å; F295-T298 PolarHBondContact O-OG1 2.86Å; F295-T298 VanDerWaalsContact O-OG1 3.06Å; F295-Y299 HydrophobicContact CE1-CD2 4.48Å; F295-Y299 WeakPolarHBondContact O-CB 3.29Å; F295-Y299 PolarHBondContact O-N 3.31Å; F295-L439 HydrophobicContact CE2-CD1 4.2Å; F295-L443 HydrophobicContact CE1-CD1 4.32Å; F295-L443 HydrophobicContact CZ-CD1 4.29Å
296	A	43.6	Very low	44.5	Very low	30 Å²	30	105.1 Å²	105.1	25%	0.248	58%	0.577	C	S	.	*	H	α-helix	trans	-66.7	-33.9	-178.5	0	0	0	0	0	113.3	I292 T298 Y299 A300 F307	I292-A296 HydrophobicContact CG2-CB 4.25Å; I292-A296 PolarHBondContact O-N 3.2Å; A296-T298 PolarHBondContact O-N 3.18Å; A296-Y299 PolarHBondContact O-N 2.8Å; A296-A300 WeakPolarHBondContact O-CB 3.41Å; A296-A300 PolarHBondContact O-N 3.46Å; A296-F307 HydrophobicContact CB-CE2 4.44Å
297	A	42.3	Very low	43.8	Very low	71 Å²	71	104.7 Å²	104.7	59%	0.587	56%	0.564	S	S	*	*	H	α-helix	trans	-66.9	-38.6	-177.1	0	0	0	0	0	112.6	F295	F295-A297 PolarHBondContact O-N 3.04Å
298	T	39	Very low	43.2	Very low	92 Å²	92	100.5 Å²	100.5	56%	0.564	56%	0.561	S	S	*	*	H	α-helix	trans	-73.4	-38.5	174.3	38.3	0	0	0	0	111.8	F295 A296 T301	F295-T298 PolarHBondContact O-OG1 2.86Å; F295-T298 VanDerWaalsContact O-OG1 3.06Å; A296-T298 PolarHBondContact O-N 3.18Å; T298-T301 PolarHBondContact O-N 3.33Å; T298-T301 PolarHBondContact O-OG1 3.31Å
299	Y	41.9	Very low	42.8	Very low	88 Å²	88	105.8 Å²	105.8	35%	0.345	57%	0.571	S	S	.	*	H	α-helix	trans	-68.2	-37.2	-177.4	-160.8	-93.5	0	0	0	113.2	F295 A296 T301 V302 F303 F307	F295-Y299 HydrophobicContact CE1-CD2 4.48Å; F295-Y299 WeakPolarHBondContact O-CB 3.29Å; F295-Y299 PolarHBondContact O-N 3.31Å; A296-Y299 PolarHBondContact O-N 2.8Å; Y299-T301 PolarHBondContact O-N 3.04Å; Y299-V302 PolarHBondContact O-N 3.22Å; Y299-F303 HydrophobicContact CE2-CD2 4.43Å; Y299-F303 PolarHBondContact O-N 2.99Å; Y299-F307 HydrophobicContact CD1-CD2 4.25Å
300	A	44.7	Very low	42.3	Very low	36 Å²	36	104.6 Å²	104.6	30%	0.298	56%	0.563	S	S	.	*	H	α-helix	trans	-63.8	-25.5	-179.6	0	0	0	0	0	114	A296 F307	A296-A300 WeakPolarHBondContact O-CB 3.41Å; A296-A300 PolarHBondContact O-N 3.46Å; A300-F307 HydrophobicContact CB-CD1 4.15Å; A300-F307 HydrophobicContact CB-CD2 4.04Å; A300-F307 HydrophobicContact CB-CE1 3.97Å; A300-F307 HydrophobicContact CB-CE2 3.85Å; A300-F307 HydrophobicContact CB-CG 4.18Å; A300-F307 HydrophobicContact CB-CZ 3.82Å
301	T	47.3	Very low	41.5	Very low	116 Å²	116	99.7 Å²	99.7	71%	0.712	54%	0.544	S	S	*	.	H	α-helix	trans	-81.4	-25.2	-178.6	62.8	0	0	0	0	113.6	T298 Y299	T298-T301 PolarHBondContact O-N 3.33Å; T298-T301 PolarHBondContact O-OG1 3.31Å; Y299-T301 PolarHBondContact O-N 3.04Å
302	V	45.8	Very low	41.3	Very low	68 Å²	68	106.1 Å²	106.1	41%	0.412	56%	0.555	S	S	.	*	H	α-helix	trans	-99.7	-32.1	-171.5	-172.1	0	0	0	0	112.2	Y299 V376	Y299-V302 PolarHBondContact O-N 3.22Å; V302-V376 HydrophobicContact CG1-CG1 4.42Å
303	F	50.7	Low	41	Very low	72 Å²	72	106.9 Å²	106.9	32%	0.316	56%	0.56	S	S	.	*			trans	-133.8	76.6	-174.8	-59.4	-72.4	0	0	0	112.8	Y299 D305 Y306 F307	Y299-F303 HydrophobicContact CE2-CD2 4.43Å; Y299-F303 PolarHBondContact O-N 2.99Å; F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 3.03Å; F303-Y306 PolarHBondContact O-N 3.36Å; F303-F307 PolarHBondContact O-N 3Å
304	P	42.7	Very low	40.7	Very low	82 Å²	82	107.1 Å²	107.1	53%	0.532	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-33.1	-178.8	23.2	-31.7	0	0	0	113.6	Y306 F307 T308	P304-Y306 VanDerWaalsContact C-N 3.28Å; P304-Y306 PolarHBondContact O-N 3.33Å; P304-F307 PolarHBondContact O-N 3.47Å; P304-T308 PolarHBondContact O-OG1 2.98Å
305	D	44.3	Very low	40.8	Very low	147 Å²	147	108.3 Å²	108.3	79%	0.786	56%	0.559	S	S	*	*	H	α-helix	trans	-72.7	-18	-175.5	-70.2	-17.5	0	0	0	114	F303	F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 3.03Å
306	Y	39.3	Very low	40.7	Very low	185 Å²	185	111.3 Å²	111.3	73%	0.725	57%	0.574	S	S	*	*	H	α-helix	trans	-101.9	-16.1	175.1	-85.4	-91.4	0	0	0	113.1	F303 P304	F303-Y306 PolarHBondContact O-N 3.36Å; P304-Y306 VanDerWaalsContact C-N 3.28Å; P304-Y306 PolarHBondContact O-N 3.33Å
307	F	39.5	Very low	40.6	Very low	50 Å²	50	115.2 Å²	115.2	22%	0.219	59%	0.591	C	S	.	*	H	α-helix	trans	-79.8	-19.6	-178.3	-164	-102.4	0	0	0	113.5	A296 Y299 A300 F303 P304 R309 I310 T311	A296-F307 HydrophobicContact CB-CE2 4.44Å; Y299-F307 HydrophobicContact CD1-CD2 4.25Å; A300-F307 HydrophobicContact CB-CD1 4.15Å; A300-F307 HydrophobicContact CB-CD2 4.04Å; A300-F307 HydrophobicContact CB-CE1 3.97Å; A300-F307 HydrophobicContact CB-CE2 3.85Å; A300-F307 HydrophobicContact CB-CG 4.18Å; A300-F307 HydrophobicContact CB-CZ 3.82Å; F303-F307 PolarHBondContact O-N 3Å; P304-F307 PolarHBondContact O-N 3.47Å; F307-R309 PolarHBondContact O-N 3.27Å; F307-I310 PolarHBondContact O-N 3.08Å; F307-T311 HydrophobicContact CE1-CG2 3.86Å; F307-T311 HydrophobicContact CZ-CG2 4.09Å
308	T	38.3	Very low	40.6	Very low	116 Å²	116	113.9 Å²	113.9	71%	0.712	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	7.5	-173.4	9.6	0	0	0	0	115.6	P304	P304-T308 PolarHBondContact O-OG1 2.98Å
309	R	39.2	Very low	40.7	Very low	203 Å²	203	115.4 Å²	115.4	77%	0.766	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-3.1	173.9	-80	-171	178.7	177.4	6.5	115.6	F307	F307-R309 PolarHBondContact O-N 3.27Å
310	I	37.5	Very low	40.8	Very low	124 Å²	124	116.6 Å²	116.6	64%	0.636	60%	0.597	S	S	*	*	S	Bend	trans	-108.3	-1.4	-174.4	-68.1	-179.8	0	0	0	114.4	F307	F307-I310 PolarHBondContact O-N 3.08Å
311	T	29.1	Very low	40.8	Very low	74 Å²	74	120.5 Å²	120.5	45%	0.454	61%	0.608	S	S	.	*			trans	-128.9	104.1	-177.8	55	0	0	0	0	113.3	F307	F307-T311 HydrophobicContact CE1-CG2 3.86Å; F307-T311 HydrophobicContact CZ-CG2 4.09Å
312	F	36.3	Very low	40.4	Very low	194 Å²	194	119.7 Å²	119.7	85%	0.851	60%	0.595	S	S	*	*	S	Bend	trans	-127.8	-4.7	147.4	-162.5	-102.6	0	0	0	114.7
313	D	38.3	Very low	40.5	Very low	131 Å²	131	120 Å²	120	70%	0.701	60%	0.604	S	S	*	*	S	Bend	trans	-138.4	14.4	179.2	-89.6	-37.9	0	0	0	116.7
314	L	35.8	Very low	40	Very low	107 Å²	107	123.6 Å²	123.6	56%	0.56	62%	0.622	S	S	*	*	S	Bend	trans	-83.9	-14.2	174.9	-84.8	166.1	0	0	0	114.5	Q316	L314-Q316 PolarHBondContact O-N 3.27Å
315	E	39.7	Very low	39.8	Very low	183 Å²	183	125.1 Å²	125.1	86%	0.855	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-22	-170.1	-129.9	175.2	-171.8	0	0	113.9
316	Q	39.9	Very low	39.4	Very low	168 Å²	168	127.5 Å²	127.5	79%	0.785	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-19.3	-178	-91.1	-171.3	1.4	0	0	115.9	L314	L314-Q316 PolarHBondContact O-N 3.27Å
317	N	40.8	Very low	39.2	Very low	112 Å²	112	123.5 Å²	123.5	60%	0.599	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	-17.6	-172.3	-81	-21.6	0	0	0	115.1	F321	N317-F321 PolarHBondContact O-N 3.48Å
318	A	42	Very low	39.1	Very low	44 Å²	44	125.8 Å²	125.8	36%	0.364	64%	0.641	S	S	.	*	H	α-helix	trans	-63.5	-44	177.2	0	0	0	0	0	111.8	N320 F321 F322	A318-N320 VanDerWaalsContact C-N 3.27Å; A318-N320 PolarHBondContact O-N 3.4Å; A318-F321 PolarHBondContact O-N 2.92Å; A318-F321 VanDerWaalsContact O-N 3.17Å; A318-F322 HydrophobicContact CB-CD2 4.49Å; A318-F322 VanDerWaalsContact O-CD2 3.27Å; A318-F322 WeakPolarHBondContact O-CD2 3.42Å; A318-F322 PolarHBondContact O-N 2.98Å; A318-F322 VanDerWaalsContact O-N 3.12Å
319	D	41.7	Very low	38.7	Very low	124 Å²	124	128.2 Å²	128.2	66%	0.663	65%	0.647	S	S	*	*	H	α-helix	trans	-60.4	-36.6	-177.3	-72.1	-12	0	0	0	112.6	A323	D319-A323 WeakPolarHBondContact O-CB 3.29Å; D319-A323 PolarHBondContact O-N 3.28Å
320	N	45	Very low	38.3	Very low	112 Å²	112	124 Å²	124	60%	0.599	65%	0.648	S	S	*	*	H	α-helix	trans	-74.5	-32.6	179.6	-74.4	-30.9	0	0	0	113	A318	A318-N320 VanDerWaalsContact C-N 3.27Å; A318-N320 PolarHBondContact O-N 3.4Å
321	F	44.2	Very low	38.2	Very low	119 Å²	119	124.7 Å²	124.7	52%	0.522	66%	0.658	S	S	.	*	H	α-helix	trans	-73.2	-45.1	178.3	-178.4	-98.5	0	0	0	112	N317 A318 A323 Q324 H325	N317-F321 PolarHBondContact O-N 3.48Å; A318-F321 PolarHBondContact O-N 2.92Å; A318-F321 VanDerWaalsContact O-N 3.17Å; F321-A323 VanDerWaalsContact C-N 3.31Å; F321-A323 PolarHBondContact O-N 3.22Å; F321-Q324 PolarHBondContact O-N 3.42Å; F321-H325 AromaticContact CD2-ND1 3.96Å; F321-H325 AromaticContact CE2-CE1 3.85Å; F321-H325 AromaticContact CE2-ND1 3.71Å; F321-H325 PolarHBondContact O-N 3.13Å
322	F	39.3	Very low	38.3	Very low	99 Å²	99	126.9 Å²	126.9	43%	0.434	68%	0.676	S	S	.	*	H	α-helix	trans	-64.5	-35	178.4	-80.5	-72.1	0	0	0	112.2	A318 Q324 W326	A318-F322 HydrophobicContact CB-CD2 4.49Å; A318-F322 VanDerWaalsContact O-CD2 3.27Å; A318-F322 WeakPolarHBondContact O-CD2 3.42Å; A318-F322 PolarHBondContact O-N 2.98Å; A318-F322 VanDerWaalsContact O-N 3.12Å; F322-Q324 PolarHBondContact O-N 3.35Å; F322-W326 HydrophobicContact CD1-CE3 4.2Å; F322-W326 HydrophobicContact CD1-CZ3 4.29Å; F322-W326 HydrophobicContact CE1-CZ3 4.33Å
323	A	46.6	Very low	38.6	Very low	74 Å²	74	122.2 Å²	122.2	61%	0.612	67%	0.667	S	S	*	*	H	α-helix	trans	-66.5	-32.9	177.1	0	0	0	0	0	113.6	D319 F321	D319-A323 WeakPolarHBondContact O-CB 3.29Å; D319-A323 PolarHBondContact O-N 3.28Å; F321-A323 VanDerWaalsContact C-N 3.31Å; F321-A323 PolarHBondContact O-N 3.22Å
324	Q	41.1	Very low	38.9	Very low	148 Å²	148	121.5 Å²	121.5	69%	0.692	67%	0.673	S	S	*	*	H	α-helix	trans	-82.9	-41.5	-175.5	-95.6	-177.1	-13.7	0	0	114.1	F321 F322 S327	F321-Q324 PolarHBondContact O-N 3.42Å; F322-Q324 PolarHBondContact O-N 3.35Å; Q324-S327 PolarHBondContact O-OG 3.06Å
325	H	37.8	Very low	39.7	Very low	114 Å²	114	120.8 Å²	120.8	53%	0.528	68%	0.675	S	S	.	*	H	α-helix	trans	-91.7	-23.7	-167.9	-73.2	82.3	0	0	0	115	F321 S327 S328	F321-H325 AromaticContact CD2-ND1 3.96Å; F321-H325 AromaticContact CE2-CE1 3.85Å; F321-H325 AromaticContact CE2-ND1 3.71Å; F321-H325 PolarHBondContact O-N 3.13Å; H325-S327 VanDerWaalsContact C-N 3.25Å; H325-S327 PolarHBondContact O-N 3.29Å; H325-S328 PolarHBondContact O-OG 3.48Å
326	W	35.7	Very low	40.7	Very low	197 Å²	197	115.4 Å²	115.4	75%	0.746	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-73	-16.4	-179	-146.1	-69.2	0	0	0	113.7	F322 S328	F322-W326 HydrophobicContact CD1-CE3 4.2Å; F322-W326 HydrophobicContact CD1-CZ3 4.29Å; F322-W326 HydrophobicContact CE1-CZ3 4.33Å; W326-S328 PolarHBondContact O-N 3.43Å
327	S	35.4	Very low	42.2	Very low	101 Å²	101	108 Å²	108	71%	0.706	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-72.4	-7.7	-176.8	64.1	0	0	0	0	115	Q324 H325	Q324-S327 PolarHBondContact O-OG 3.06Å; H325-S327 VanDerWaalsContact C-N 3.25Å; H325-S327 PolarHBondContact O-N 3.29Å
328	S	37.1	Very low	44.1	Very low	98 Å²	98	105.9 Å²	105.9	69%	0.685	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-104.3	-4.1	-174.2	69.1	0	0	0	0	116.1	H325 W326	H325-S328 PolarHBondContact O-OG 3.48Å; W326-S328 PolarHBondContact O-N 3.43Å
329	M	29.6	Very low	45.8	Very low	167 Å²	167	108.8 Å²	108.8	82%	0.823	63%	0.628	S	S	*	*			trans	-111.2	72.4	178.6	-76.2	-179.6	134.8	0	0	111.3
330	S	32.3	Very low	47.8	Very low	114 Å²	114	107.9 Å²	107.9	80%	0.797	63%	0.627	S	S	*	*			trans	-97.8	98.2	165.2	50.6	0	0	0	0	109.2
331	V	33.6	Very low	49.7	Very low	139 Å²	139	106.7 Å²	106.7	84%	0.842	62%	0.618	S	S	*	*			trans	-93.2	125.5	163.1	173.2	0	0	0	0	108.2	S333	V331-S333 PolarHBondContact O-N 2.9Å
332	S	32.3	Very low	51.7	Low	119 Å²	119	101.9 Å²	101.9	83%	0.832	60%	0.597	S	S	*	*			trans	-84.3	95.9	-174.6	58.9	0	0	0	0	111.9
333	S	43.2	Very low	54	Low	96 Å²	96	101.5 Å²	101.5	67%	0.671	59%	0.593	S	S	*	*			trans	-164.4	109.3	144.8	50.7	0	0	0	0	104.9	V331 P335	V331-S333 PolarHBondContact O-N 2.9Å; S333-P335 WeakPolarHBondContact O-CD 3.44Å
334	S	42.9	Very low	56	Low	116 Å²	116	105 Å²	105	81%	0.811	59%	0.594	S	S	*	*			trans	-56.5	115.5	175.3	47.9	0	0	0	0	107.7	S336	S334-S336 PolarHBondContact O-N 3.31Å
335	P	52.7	Low	58.2	Low	93 Å²	93	101.6 Å²	101.6	60%	0.604	58%	0.575	S	S	*	*			trans	-55.3	142.3	169.1	25.5	-33.2	0	0	0	108.3	S333 L337	S333-P335 WeakPolarHBondContact O-CD 3.44Å; P335-L337 VanDerWaalsContact CB-O 3.29Å; P335-L337 WeakPolarHBondContact CB-O 3.48Å; P335-L337 WeakPolarHBondContact CG-O 3.47Å; P335-L337 PolarHBondContact O-N 2.85Å
336	S	60.5	Low	60.6	Low	70 Å²	70	96.4 Å²	96.4	49%	0.49	55%	0.552	S	S	.	*	S	Bend	trans	-51.6	-36.9	177.6	49.8	0	0	0	0	111.4	S334 D358	S334-S336 PolarHBondContact O-N 3.31Å; S336-D358 PolarHBondContact OG-OD1 3.45Å
337	L	72.9	Confident	63.2	Low	11 Å²	11	92.5 Å²	92.5	6%	0.058	55%	0.545	C	S	.	.	S	Bend	trans	-116	138.3	171.4	-80.5	74.4	0	0	0	110.4	P335 E341 R345 D358	P335-L337 VanDerWaalsContact CB-O 3.29Å; P335-L337 WeakPolarHBondContact CB-O 3.48Å; P335-L337 WeakPolarHBondContact CG-O 3.47Å; P335-L337 PolarHBondContact O-N 2.85Å; L337-E341 HydrophobicContact CB-CB 4.1Å; L337-E341 HydrophobicContact CD2-CB 4.11Å; L337-E341 HydrophobicContact CG-CB 4.15Å; L337-R345 HydrophobicContact CD2-CG 4.29Å; L337-D358 HydrophobicContact CD1-CB 4.42Å; L337-D358 WeakPolarHBondContact CD1-OD2 3.5Å
338	T	80	Confident	65.7	Low	68 Å²	68	90.7 Å²	90.7	42%	0.417	53%	0.529	S	S	.	.			trans	-62.2	154.3	162.7	56.5	0	0	0	0	110.5	T340 E341 L342	T338-T340 PolarHBondContact O-N 3.09Å; T338-T340 VanDerWaalsContact O-N 3.15Å; T338-T340 PolarHBondContact OG1-OG1 3.29Å; T338-E341 PolarHBondContact N-OE2 2.8Å; T338-E341 WeakPolarHBondContact O-CB 3.33Å; T338-E341 PolarHBondContact O-N 2.82Å; T338-E341 WeakPolarHBondContact OG1-CB 3.28Å; T338-E341 WeakPolarHBondContact OG1-CG 3.29Å; T338-E341 PolarHBondContact OG1-N 3.28Å; T338-E341 PolarHBondContact OG1-OE2 3.43Å; T338-L342 PolarHBondContact O-N 2.88Å
339	T	78.6	Confident	68.2	Low	106 Å²	106	89.7 Å²	89.7	65%	0.65	52%	0.52	S	S	*	.	H	α-helix	trans	-55.1	-35.8	178.2	50.8	0	0	0	0	112.3	L342 W343	T339-L342 PolarHBondContact O-N 3.46Å; T339-W343 PolarHBondContact O-N 3.48Å; T339-W343 VanDerWaalsContact O-N 3.11Å
340	T	82.7	Confident	71	Confident	104 Å²	104	85.2 Å²	85.2	64%	0.638	50%	0.5	S	S	*	.	H	α-helix	trans	-67.6	-40	176	49.2	0	0	0	0	112.6	T338 K344	T338-T340 PolarHBondContact O-N 3.09Å; T338-T340 VanDerWaalsContact O-N 3.15Å; T338-T340 PolarHBondContact OG1-OG1 3.29Å; T340-K344 VanDerWaalsContact O-CB 3.27Å; T340-K344 WeakPolarHBondContact O-CB 3.42Å; T340-K344 PolarHBondContact O-N 2.97Å
341	E	84.5	Confident	73.6	Confident	88 Å²	88	80.4 Å²	80.4	41%	0.411	47%	0.467	S	S	.	.	H	α-helix	trans	-67.8	-41.1	174.3	-74.5	166.3	151.6	0	0	111.9	L337 T338 K344 R345	L337-E341 HydrophobicContact CB-CB 4.1Å; L337-E341 HydrophobicContact CD2-CB 4.11Å; L337-E341 HydrophobicContact CG-CB 4.15Å; T338-E341 PolarHBondContact N-OE2 2.8Å; T338-E341 WeakPolarHBondContact O-CB 3.33Å; T338-E341 PolarHBondContact O-N 2.82Å; T338-E341 WeakPolarHBondContact OG1-CB 3.28Å; T338-E341 WeakPolarHBondContact OG1-CG 3.29Å; T338-E341 PolarHBondContact OG1-N 3.28Å; T338-E341 PolarHBondContact OG1-OE2 3.43Å; E341-K344 PolarHBondContact O-N 2.97Å; E341-R345 WeakPolarHBondContact O-CG 3.45Å; E341-R345 PolarHBondContact O-N 2.88Å
342	L	87.6	Confident	75.9	Confident	18 Å²	18	80.6 Å²	80.6	9%	0.094	46%	0.463	C	S	.	.	H	α-helix	trans	-56.3	-53.8	176	-178.2	71.2	0	0	0	110.3	T338 T339 K344 R345 A346 W353 D358 D361 A362	T338-L342 PolarHBondContact O-N 2.88Å; T339-L342 PolarHBondContact O-N 3.46Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-K344 PolarHBondContact O-N 3.31Å; L342-R345 PolarHBondContact O-N 3.38Å; L342-A346 VanDerWaalsContact O-CB 3.25Å; L342-A346 WeakPolarHBondContact O-CB 3.31Å; L342-A346 PolarHBondContact O-N 3.37Å; L342-W353 HydrophobicContact CD1-CZ3 4.14Å; L342-D358 VanDerWaalsContact CD1-O 3.24Å; L342-D358 WeakPolarHBondContact CD1-O 3.48Å; L342-D361 HydrophobicContact CD1-CB 4.47Å; L342-D361 HydrophobicContact CD2-CB 4.41Å; L342-A362 HydrophobicContact CD1-CB 3.99Å; L342-A362 HydrophobicContact CG-CB 4.47Å
343	W	87.8	Confident	78.4	Confident	91 Å²	91	75.9 Å²	75.9	35%	0.345	43%	0.427	S	S	.	.	H	α-helix	trans	-63.2	-40	178.2	-81	106.7	0	0	0	112.5	T339 R345 A346 I347 W365 L369	T339-W343 PolarHBondContact O-N 3.48Å; T339-W343 VanDerWaalsContact O-N 3.11Å; W343-R345 VanDerWaalsContact C-N 3.35Å; W343-R345 PolarHBondContact O-N 3.32Å; W343-A346 PolarHBondContact O-N 3.22Å; W343-I347 WeakPolarHBondContact O-CG1 3.16Å; W343-I347 PolarHBondContact O-N 2.89Å; W343-W365 HydrophobicContact CH2-CB 4.3Å; W343-W365 HydrophobicContact CZ2-CB 3.94Å; W343-L369 HydrophobicContact CH2-CB 4.48Å; W343-L369 HydrophobicContact CH2-CD1 3.89Å; W343-L369 HydrophobicContact CZ3-CD1 4.33Å
344	K	87.1	Confident	80.1	Confident	146 Å²	146	75.7 Å²	75.7	64%	0.635	43%	0.426	S	S	*	.	H	α-helix	trans	-60.3	-43.9	176.8	-173.3	180	179.7	-176.4	0	111.6	T340 E341 L342 I347 T348	T340-K344 VanDerWaalsContact O-CB 3.27Å; T340-K344 WeakPolarHBondContact O-CB 3.42Å; T340-K344 PolarHBondContact O-N 2.97Å; E341-K344 PolarHBondContact O-N 2.97Å; L342-K344 VanDerWaalsContact C-N 3.35Å; L342-K344 PolarHBondContact O-N 3.31Å; K344-I347 WeakPolarHBondContact O-CG1 3.26Å; K344-T348 WeakPolarHBondContact O-CB 3.4Å; K344-T348 PolarHBondContact O-N 3.15Å; K344-T348 PolarHBondContact O-OG1 2.94Å
345	R	87.6	Confident	82	Confident	78 Å²	78	74.9 Å²	74.9	29%	0.294	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-41.3	174.4	-67.7	-163.9	-163.2	177.1	10.6	111.5	L337 E341 L342 W343 I347 T348 A351 D352 W353 Q408	L337-R345 HydrophobicContact CD2-CG 4.29Å; E341-R345 WeakPolarHBondContact O-CG 3.45Å; E341-R345 PolarHBondContact O-N 2.88Å; L342-R345 PolarHBondContact O-N 3.38Å; W343-R345 VanDerWaalsContact C-N 3.35Å; W343-R345 PolarHBondContact O-N 3.32Å; R345-I347 PolarHBondContact O-N 3.1Å; R345-T348 PolarHBondContact O-N 3.45Å; R345-A351 HydrophobicContact CB-CB 3.96Å; R345-A351 HydrophobicContact CG-CB 4.47Å; R345-A351 VanDerWaalsContact O-CB 3.28Å; R345-A351 WeakPolarHBondContact O-CB 3.28Å; R345-D352 PolarHBondContact NH1-O 3.28Å; R345-W353 HydrophobicContact CB-CH2 3.67Å; R345-W353 HydrophobicContact CB-CZ2 3.91Å; R345-W353 HydrophobicContact CB-CZ3 4.16Å; R345-Q408 PolarHBondContact O-NE2 2.9Å
346	A	89.1	Confident	83.5	Confident	5 Å²	5	73 Å²	73	4%	0.041	39%	0.392	C	S	.	.	H	α-helix	trans	-57.8	-35.9	-179.9	0	0	0	0	0	113	L342 W343 W353 A362 Y403 F407 Q408	L342-A346 VanDerWaalsContact O-CB 3.25Å; L342-A346 WeakPolarHBondContact O-CB 3.31Å; L342-A346 PolarHBondContact O-N 3.37Å; W343-A346 PolarHBondContact O-N 3.22Å; A346-W353 HydrophobicContact CB-CH2 4.36Å; A346-A362 HydrophobicContact CB-CB 3.95Å; A346-Y403 VanDerWaalsContact CA-OH 3.26Å; A346-Y403 WeakPolarHBondContact CA-OH 3.45Å; A346-Y403 WeakPolarHBondContact O-CE2 3.44Å; A346-Y403 PolarHBondContact O-OH 2.84Å; A346-F407 WeakPolarHBondContact O-CE1 3.3Å; A346-Q408 PolarHBondContact O-NE2 3.12Å
347	I	90.1	Very high	84.6	Confident	115 Å²	115	74.8 Å²	74.8	59%	0.59	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-4.8	177.8	71.2	-176.3	0	0	0	113.9	W343 K344 R345 F407	W343-I347 WeakPolarHBondContact O-CG1 3.16Å; W343-I347 PolarHBondContact O-N 2.89Å; K344-I347 WeakPolarHBondContact O-CG1 3.26Å; R345-I347 PolarHBondContact O-N 3.1Å; I347-F407 WeakPolarHBondContact O-CZ 3.48Å
348	T	88.2	Confident	85.3	Confident	62 Å²	62	74.6 Å²	74.6	38%	0.38	40%	0.395	S	S	.	.	S	Bend	trans	-87.7	123.8	175.5	-61.2	0	0	0	0	108.3	K344 R345 A351 Q408	K344-T348 WeakPolarHBondContact O-CB 3.4Å; K344-T348 PolarHBondContact O-N 3.15Å; K344-T348 PolarHBondContact O-OG1 2.94Å; R345-T348 PolarHBondContact O-N 3.45Å; T348-A351 PolarHBondContact O-N 3.26Å; T348-Q408 PolarHBondContact O-NE2 2.9Å
349	P	89	Confident	85.7	Confident	77 Å²	77	71.4 Å²	71.4	50%	0.5	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	139.4	173.8	-19.2	30.4	0	0	0	110.9	A351 F407	P349-A351 VanDerWaalsContact C-N 3.29Å; P349-A351 PolarHBondContact O-N 2.8Å; P349-F407 WeakPolarHBondContact CA-O 3.3Å; P349-F407 HydrophobicContact CB-CE2 4.38Å; P349-F407 HydrophobicContact CB-CZ 4.39Å; P349-F407 HydrophobicContact CG-CE2 3.88Å; P349-F407 HydrophobicContact CG-CZ 3.88Å
350	N	87.7	Confident	86.2	Confident	74 Å²	74	67 Å²	67	40%	0.396	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	45.2	-178	-48.5	-40.7	0	0	0	113.3	F407 Q408 R409	N350-F407 PolarHBondContact N-O 3.1Å; N350-F407 VanDerWaalsContact N-O 3.09Å; N350-F407 PolarHBondContact OD1-O 3.22Å; N350-Q408 PolarHBondContact OD1-O 3.21Å; N350-R409 VanDerWaalsContact OD1-CB 3.25Å; N350-R409 WeakPolarHBondContact OD1-CB 3.44Å; N350-R409 WeakPolarHBondContact OD1-CD 3.35Å; N350-R409 WeakPolarHBondContact OD1-CG 3.41Å
351	A	86.4	Confident	86.4	Confident	13 Å²	13	65.8 Å²	65.8	11%	0.107	34%	0.337	C	S	.	.			trans	-67.6	148.8	177.1	0	0	0	0	0	111	R345 T348 P349 W353	R345-A351 HydrophobicContact CB-CB 3.96Å; R345-A351 HydrophobicContact CG-CB 4.47Å; R345-A351 VanDerWaalsContact O-CB 3.28Å; R345-A351 WeakPolarHBondContact O-CB 3.28Å; T348-A351 PolarHBondContact O-N 3.26Å; P349-A351 VanDerWaalsContact C-N 3.29Å; P349-A351 PolarHBondContact O-N 2.8Å; A351-W353 HydrophobicContact CB-CZ2 4.32Å; A351-W353 PolarHBondContact O-N 3.45Å; A351-W353 PolarHBondContact O-NE1 2.95Å
352	D	81.9	Confident	86.6	Confident	143 Å²	143	61.8 Å²	61.8	77%	0.765	32%	0.319	S	S	*	.			trans	-76	108.7	175.2	-71.3	-31.8	0	0	0	110.5	R345	R345-D352 PolarHBondContact NH1-O 3.28Å
353	W	85	Confident	86.7	Confident	20 Å²	20	61 Å²	61	8%	0.076	32%	0.315	C	S	.	.			trans	-97.6	95.3	174.5	-60.7	100.1	0	0	0	110	L342 R345 A346 A351 D358 L359 A362 Q408 W414	L342-W353 HydrophobicContact CD1-CZ3 4.14Å; R345-W353 HydrophobicContact CB-CH2 3.67Å; R345-W353 HydrophobicContact CB-CZ2 3.91Å; R345-W353 HydrophobicContact CB-CZ3 4.16Å; A346-W353 HydrophobicContact CB-CH2 4.36Å; A351-W353 HydrophobicContact CB-CZ2 4.32Å; A351-W353 PolarHBondContact O-N 3.45Å; A351-W353 PolarHBondContact O-NE1 2.95Å; W353-D358 HydrophobicContact CE3-CB 4.03Å; W353-D358 HydrophobicContact CZ3-CB 4.17Å; W353-D358 WeakPolarHBondContact CZ3-O 3.39Å; W353-L359 HydrophobicContact CB-CB 4.28Å; W353-L359 HydrophobicContact CD2-CB 3.81Å; W353-L359 HydrophobicContact CD2-CD1 3.85Å; W353-L359 HydrophobicContact CD2-CG 4.33Å; W353-L359 HydrophobicContact CE3-CB 3.83Å; W353-L359 HydrophobicContact CE3-CD1 4.42Å; W353-L359 HydrophobicContact CG-CB 3.99Å; W353-L359 HydrophobicContact CG-CD1 4.14Å; W353-L359 HydrophobicContact CG-CD2 4.36Å; W353-L359 HydrophobicContact CG-CG 4.39Å; W353-L359 HydrophobicContact CZ2-CD1 4Å; W353-L359 HydrophobicContact CZ3-CB 4.48Å; W353-A362 HydrophobicContact CH2-CB 3.58Å; W353-A362 HydrophobicContact CZ2-CB 4.34Å; W353-A362 HydrophobicContact CZ3-CB 4.07Å; W353-Q408 VanDerWaalsContact NE1-CD 3.31Å; W353-W414 HydrophobicContact CB-CH2 4.22Å; W353-W414 HydrophobicContact CB-CZ3 4.47Å; W353-W414 WeakPolarHBondContact O-CH2 3.43Å
354	S	79.6	Confident	86.9	Confident	92 Å²	92	59.8 Å²	59.8	64%	0.643	31%	0.311	S	S	*	.	S	Bend	trans	-72.8	-29.7	-179.7	45.5	0	0	0	0	113.6
355	Q	82.6	Confident	87.1	Confident	98 Å²	98	59.1 Å²	59.1	46%	0.458	30%	0.304	S	S	.	.	S	Bend	trans	-122.2	136.5	175.8	-54.5	-169.1	-58.2	0	0	109.1	D357 D358	Q355-D357 VanDerWaalsContact C-N 3.28Å; Q355-D357 PolarHBondContact O-N 3.11Å; Q355-D358 PolarHBondContact O-N 3.18Å
356	K	83.9	Confident	87.3	Confident	54 Å²	54	57.2 Å²	57.2	24%	0.235	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-38.7	177.3	171.8	180	156.3	176.8	0	111.6	D358 L359 L360 W414 I415 E420	K356-D358 VanDerWaalsContact C-N 3.32Å; K356-D358 PolarHBondContact O-N 3.06Å; K356-L359 WeakPolarHBondContact O-CB 3.49Å; K356-L359 PolarHBondContact O-N 2.8Å; K356-L359 VanDerWaalsContact O-N 3.14Å; K356-L360 HydrophobicContact CG-CD1 4.14Å; K356-L360 HydrophobicContact CG-CG 4.33Å; K356-L360 PolarHBondContact O-N 2.71Å; K356-W414 HydrophobicContact CB-CH2 4.08Å; K356-W414 HydrophobicContact CB-CZ3 4.3Å; K356-I415 WeakPolarHBondContact CE-O 3.36Å; K356-I415 PolarHBondContact NZ-O 3.42Å; K356-E420 WeakPolarHBondContact CE-OE1 3.47Å; K356-E420 IonicContact NZ-OE1 2.71Å; K356-E420 PolarHBondContact NZ-OE1 2.99Å; K356-E420 IonicContact NZ-OE2 2.81Å; K356-E420 PolarHBondContact NZ-OE2 3.36Å
357	D	84.7	Confident	87.4	Confident	107 Å²	107	57.4 Å²	57.4	57%	0.572	30%	0.3	S	S	*	.	H	α-helix	trans	-62.8	-37.9	-177.8	-59.6	-27.2	0	0	0	111.9	Q355 L359 L360 D361	Q355-D357 VanDerWaalsContact C-N 3.28Å; Q355-D357 PolarHBondContact O-N 3.11Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.02Å; D357-L360 PolarHBondContact O-N 3.41Å; D357-D361 WeakPolarHBondContact O-CB 3.37Å; D357-D361 PolarHBondContact O-N 3.36Å
358	D	88	Confident	87.5	Confident	8 Å²	8	53 Å²	53	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-61.3	-37.3	175.8	-57.9	-23.3	0	0	0	112	S336 L337 L342 W353 Q355 K356 A362	S336-D358 PolarHBondContact OG-OD1 3.45Å; L337-D358 HydrophobicContact CD1-CB 4.42Å; L337-D358 WeakPolarHBondContact CD1-OD2 3.5Å; L342-D358 VanDerWaalsContact CD1-O 3.24Å; L342-D358 WeakPolarHBondContact CD1-O 3.48Å; W353-D358 HydrophobicContact CE3-CB 4.03Å; W353-D358 HydrophobicContact CZ3-CB 4.17Å; W353-D358 WeakPolarHBondContact CZ3-O 3.39Å; Q355-D358 PolarHBondContact O-N 3.18Å; K356-D358 VanDerWaalsContact C-N 3.32Å; K356-D358 PolarHBondContact O-N 3.06Å; D358-A362 PolarHBondContact O-N 2.94Å
359	L	87.6	Confident	87.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-40.5	176.7	175.4	61.7	0	0	0	111.2	W353 K356 D357 D361 A362 I363 Y403 Q408 V410 W414 I415	W353-L359 HydrophobicContact CB-CB 4.28Å; W353-L359 HydrophobicContact CD2-CB 3.81Å; W353-L359 HydrophobicContact CD2-CD1 3.85Å; W353-L359 HydrophobicContact CD2-CG 4.33Å; W353-L359 HydrophobicContact CE3-CB 3.83Å; W353-L359 HydrophobicContact CE3-CD1 4.42Å; W353-L359 HydrophobicContact CG-CB 3.99Å; W353-L359 HydrophobicContact CG-CD1 4.14Å; W353-L359 HydrophobicContact CG-CD2 4.36Å; W353-L359 HydrophobicContact CG-CG 4.39Å; W353-L359 HydrophobicContact CZ2-CD1 4Å; W353-L359 HydrophobicContact CZ3-CB 4.48Å; K356-L359 WeakPolarHBondContact O-CB 3.49Å; K356-L359 PolarHBondContact O-N 2.8Å; K356-L359 VanDerWaalsContact O-N 3.14Å; D357-L359 VanDerWaalsContact C-N 3.29Å; D357-L359 PolarHBondContact O-N 3.02Å; L359-D361 VanDerWaalsContact C-N 3.34Å; L359-A362 WeakPolarHBondContact O-CB 3.48Å; L359-A362 PolarHBondContact O-N 2.99Å; L359-I363 HydrophobicContact CD1-CD1 4.21Å; L359-I363 HydrophobicContact CD1-CG1 4.39Å; L359-I363 HydrophobicContact CG-CD1 3.98Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.37Å; L359-I363 PolarHBondContact O-N 3.45Å; L359-Y403 HydrophobicContact CD1-CE1 4.42Å; L359-Q408 HydrophobicContact CD1-CG 4.46Å; L359-V410 HydrophobicContact CD2-CB 4.46Å; L359-V410 HydrophobicContact CD2-CG1 4.25Å; L359-V410 HydrophobicContact CD2-CG2 4.19Å; L359-W414 HydrophobicContact CD2-CZ3 4.12Å; L359-I415 HydrophobicContact CD2-CD1 3.56Å; L359-I415 HydrophobicContact CD2-CG1 3.96Å
360	L	88.4	Confident	87.9	Confident	13 Å²	13	51.1 Å²	51.1	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-40.3	175.2	-71.4	179.7	0	0	0	111.5	K356 D357 A362 I363 Y364 I415 E424	K356-L360 HydrophobicContact CG-CD1 4.14Å; K356-L360 HydrophobicContact CG-CG 4.33Å; K356-L360 PolarHBondContact O-N 2.71Å; D357-L360 PolarHBondContact O-N 3.41Å; L360-A362 PolarHBondContact O-N 3.26Å; L360-I363 HydrophobicContact CD2-CD1 4.41Å; L360-I363 PolarHBondContact O-N 3.24Å; L360-Y364 WeakPolarHBondContact O-CB 3.16Å; L360-Y364 PolarHBondContact O-N 3.12Å; L360-I415 HydrophobicContact CD2-CG2 4.14Å; L360-E424 HydrophobicContact CB-CG 4.1Å; L360-E424 HydrophobicContact CD2-CB 4.21Å; L360-E424 HydrophobicContact CD2-CG 4.13Å
361	D	88	Confident	88.2	Confident	80 Å²	80	47.6 Å²	47.6	43%	0.428	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-43.5	172.3	-79.5	-15.2	0	0	0	111.2	L342 D357 L359 I363 Y364 W365	L342-D361 HydrophobicContact CD1-CB 4.47Å; L342-D361 HydrophobicContact CD2-CB 4.41Å; D357-D361 WeakPolarHBondContact O-CB 3.37Å; D357-D361 PolarHBondContact O-N 3.36Å; L359-D361 VanDerWaalsContact C-N 3.34Å; D361-I363 PolarHBondContact O-N 2.95Å; D361-Y364 WeakPolarHBondContact O-CB 3.32Å; D361-Y364 PolarHBondContact O-N 3.1Å; D361-W365 PolarHBondContact O-N 3.23Å
362	A	89.2	Confident	88.5	Confident	3 Å²	3	48.5 Å²	48.5	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-61.4	-43	174.5	0	0	0	0	0	112.1	L342 A346 W353 D358 L359 L360 W365 L366	L342-A362 HydrophobicContact CD1-CB 3.99Å; L342-A362 HydrophobicContact CG-CB 4.47Å; A346-A362 HydrophobicContact CB-CB 3.95Å; W353-A362 HydrophobicContact CH2-CB 3.58Å; W353-A362 HydrophobicContact CZ2-CB 4.34Å; W353-A362 HydrophobicContact CZ3-CB 4.07Å; D358-A362 PolarHBondContact O-N 2.94Å; L359-A362 WeakPolarHBondContact O-CB 3.48Å; L359-A362 PolarHBondContact O-N 2.99Å; L360-A362 PolarHBondContact O-N 3.26Å; A362-W365 PolarHBondContact O-N 2.87Å; A362-L366 VanDerWaalsContact O-CB 3.23Å; A362-L366 WeakPolarHBondContact O-CB 3.41Å; A362-L366 PolarHBondContact O-N 3.4Å
363	I	89.7	Confident	89.1	Confident	3 Å²	3	46.7 Å²	46.7	2%	0.015	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-44.7	176.6	-69.2	161.9	0	0	0	110.8	L359 L360 D361 L366 K367 Y403 V404 V421	L359-I363 HydrophobicContact CD1-CD1 4.21Å; L359-I363 HydrophobicContact CD1-CG1 4.39Å; L359-I363 HydrophobicContact CG-CD1 3.98Å; L359-I363 VanDerWaalsContact O-CG1 3.28Å; L359-I363 WeakPolarHBondContact O-CG1 3.37Å; L359-I363 PolarHBondContact O-N 3.45Å; L360-I363 HydrophobicContact CD2-CD1 4.41Å; L360-I363 PolarHBondContact O-N 3.24Å; D361-I363 PolarHBondContact O-N 2.95Å; I363-L366 PolarHBondContact O-N 2.71Å; I363-K367 HydrophobicContact CG2-CD 4.15Å; I363-K367 HydrophobicContact CG2-CG 4.42Å; I363-K367 WeakPolarHBondContact O-CB 3.24Å; I363-K367 WeakPolarHBondContact O-CG 3.24Å; I363-K367 PolarHBondContact O-N 2.99Å; I363-Y403 HydrophobicContact CG1-CD1 4.06Å; I363-Y403 HydrophobicContact CG1-CE1 3.96Å; I363-V404 HydrophobicContact CD1-CG2 3.78Å; I363-V404 HydrophobicContact CG1-CG2 4.46Å; I363-V421 HydrophobicContact CD1-CG1 4.28Å; I363-V421 HydrophobicContact CD1-CG2 4.42Å
364	Y	90.5	Very high	89.4	Confident	64 Å²	64	46.6 Å²	46.6	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-54.3	-54.9	175.7	170.8	-88.6	0	0	0	110.5	L360 D361 L366 K367 Q368 G425 T428	L360-Y364 WeakPolarHBondContact O-CB 3.16Å; L360-Y364 PolarHBondContact O-N 3.12Å; D361-Y364 WeakPolarHBondContact O-CB 3.32Å; D361-Y364 PolarHBondContact O-N 3.1Å; Y364-L366 PolarHBondContact O-N 2.93Å; Y364-K367 PolarHBondContact O-N 3.04Å; Y364-Q368 HydrophobicContact CD1-CG 4.39Å; Y364-Q368 HydrophobicContact CE1-CG 3.97Å; Y364-Q368 WeakPolarHBondContact O-CG 3.45Å; Y364-Q368 PolarHBondContact O-N 2.93Å; Y364-Q368 PolarHBondContact OH-NE2 2.7Å; Y364-Q368 VanDerWaalsContact OH-NE2 3.17Å; Y364-G425 VanDerWaalsContact CD2-CA 3.46Å; Y364-T428 WeakPolarHBondContact CE2-OG1 3.39Å
365	W	91.9	Very high	89.9	Confident	132 Å²	132	42.2 Å²	42.2	50%	0.5	21%	0.209	S	C	.	.	H	α-helix	trans	-67	-37.8	-178.3	-77.5	109.5	0	0	0	112.8	W343 D361 A362 Q368 L369	W343-W365 HydrophobicContact CH2-CB 4.3Å; W343-W365 HydrophobicContact CZ2-CB 3.94Å; D361-W365 PolarHBondContact O-N 3.23Å; A362-W365 PolarHBondContact O-N 2.87Å; W365-Q368 PolarHBondContact O-N 2.86Å; W365-L369 PolarHBondContact O-N 3.45Å
366	L	91.1	Very high	90.3	Very high	39 Å²	39	39.2 Å²	39.2	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-41.7	175.1	-173.5	67.6	0	0	0	111.3	A362 I363 Y364 L369 V370 Y403	A362-L366 VanDerWaalsContact O-CB 3.23Å; A362-L366 WeakPolarHBondContact O-CB 3.41Å; A362-L366 PolarHBondContact O-N 3.4Å; I363-L366 PolarHBondContact O-N 2.71Å; Y364-L366 PolarHBondContact O-N 2.93Å; L366-L369 PolarHBondContact O-N 2.97Å; L366-V370 HydrophobicContact CG-CG2 4.4Å; L366-V370 WeakPolarHBondContact O-CB 3.47Å; L366-V370 VanDerWaalsContact O-CG2 3.26Å; L366-V370 WeakPolarHBondContact O-CG2 3.44Å; L366-V370 PolarHBondContact O-N 3.34Å; L366-Y403 HydrophobicContact CD2-CD1 3.97Å; L366-Y403 HydrophobicContact CD2-CD2 3.42Å; L366-Y403 VanDerWaalsContact CD2-CD2 3.42Å; L366-Y403 HydrophobicContact CD2-CE1 4.08Å; L366-Y403 HydrophobicContact CD2-CE2 3.54Å; L366-Y403 HydrophobicContact CD2-CG 3.64Å
367	K	92.4	Very high	90.5	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-64.2	-38.4	175.3	-80	179.6	176.4	178.7	0	112.8	I363 Y364 L369 S371 S400 V421 I422 E424 A429	I363-K367 HydrophobicContact CG2-CD 4.15Å; I363-K367 HydrophobicContact CG2-CG 4.42Å; I363-K367 WeakPolarHBondContact O-CB 3.24Å; I363-K367 WeakPolarHBondContact O-CG 3.24Å; I363-K367 PolarHBondContact O-N 2.99Å; Y364-K367 PolarHBondContact O-N 3.04Å; K367-L369 VanDerWaalsContact C-N 3.34Å; K367-S371 WeakPolarHBondContact O-CB 3.31Å; K367-S371 PolarHBondContact O-N 3.13Å; K367-S371 PolarHBondContact O-OG 3.44Å; K367-S400 WeakPolarHBondContact CE-OG 3.3Å; K367-V421 PolarHBondContact NZ-O 2.02Å; K367-I422 PolarHBondContact NZ-O 3Å; K367-E424 WeakPolarHBondContact CD-O 3.46Å; K367-E424 PolarHBondContact NZ-O 3.21Å; K367-A429 HydrophobicContact CB-CB 4.08Å
368	Q	91.9	Very high	90.7	Very high	24 Å²	24	36.5 Å²	36.5	11%	0.112	18%	0.183	C	C	.	.	H	α-helix	trans	-61.7	-45.7	174.7	-68.4	-68	5.9	0	0	110.7	Y364 W365 S371 A372 T428 T432	Y364-Q368 HydrophobicContact CD1-CG 4.39Å; Y364-Q368 HydrophobicContact CE1-CG 3.97Å; Y364-Q368 WeakPolarHBondContact O-CG 3.45Å; Y364-Q368 PolarHBondContact O-N 2.93Å; Y364-Q368 PolarHBondContact OH-NE2 2.7Å; Y364-Q368 VanDerWaalsContact OH-NE2 3.17Å; W365-Q368 PolarHBondContact O-N 2.86Å; Q368-S371 PolarHBondContact O-N 3.06Å; Q368-A372 WeakPolarHBondContact O-CB 3.43Å; Q368-A372 PolarHBondContact O-N 3.19Å; Q368-T428 VanDerWaalsContact NE2-CB 3.28Å; Q368-T428 PolarHBondContact NE2-OG1 2.81Å; Q368-T428 VanDerWaalsContact NE2-OG1 3.08Å; Q368-T432 PolarHBondContact OE1-OG1 3.34Å
369	L	92.8	Very high	90.4	Very high	78 Å²	78	36.3 Å²	36.3	41%	0.408	18%	0.183	S	C	.	.	H	α-helix	trans	-62.8	-49.3	176.5	-174.8	147.1	0	0	0	111.7	W343 W365 L366 K367 S371 A372 L373	W343-L369 HydrophobicContact CH2-CB 4.48Å; W343-L369 HydrophobicContact CH2-CD1 3.89Å; W343-L369 HydrophobicContact CZ3-CD1 4.33Å; W365-L369 PolarHBondContact O-N 3.45Å; L366-L369 PolarHBondContact O-N 2.97Å; K367-L369 VanDerWaalsContact C-N 3.34Å; L369-S371 VanDerWaalsContact C-N 3.33Å; L369-S371 PolarHBondContact O-N 3.45Å; L369-A372 PolarHBondContact O-N 2.85Å; L369-L373 HydrophobicContact CD2-CD1 3.59Å; L369-L373 HydrophobicContact CD2-CG 4.3Å; L369-L373 WeakPolarHBondContact O-CG 3.46Å; L369-L373 PolarHBondContact O-N 3.08Å
370	V	92	Very high	90.2	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.127	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-41.5	177.9	169.2	0	0	0	0	111.2	L366 L373 L374 I399	L366-V370 HydrophobicContact CG-CG2 4.4Å; L366-V370 WeakPolarHBondContact O-CB 3.47Å; L366-V370 VanDerWaalsContact O-CG2 3.26Å; L366-V370 WeakPolarHBondContact O-CG2 3.44Å; L366-V370 PolarHBondContact O-N 3.34Å; V370-L373 PolarHBondContact O-N 2.76Å; V370-L374 HydrophobicContact CG1-CD1 3.85Å; V370-L374 HydrophobicContact CG1-CG 4.19Å; V370-L374 WeakPolarHBondContact O-CB 3.03Å; V370-L374 VanDerWaalsContact O-CG 3.29Å; V370-L374 WeakPolarHBondContact O-CG 3.25Å; V370-L374 PolarHBondContact O-N 3.09Å; V370-I399 HydrophobicContact CG1-CD1 3.74Å; V370-I399 HydrophobicContact CG1-CG2 4.48Å; V370-I399 HydrophobicContact CG2-CG2 4.33Å
371	S	94.1	Very high	89.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.4	-37.3	-179.4	-64.4	0	0	0	0	112.5	K367 Q368 L369 G375 Y392 A429	K367-S371 WeakPolarHBondContact O-CB 3.31Å; K367-S371 PolarHBondContact O-N 3.13Å; K367-S371 PolarHBondContact O-OG 3.44Å; Q368-S371 PolarHBondContact O-N 3.06Å; L369-S371 VanDerWaalsContact C-N 3.33Å; L369-S371 PolarHBondContact O-N 3.45Å; S371-G375 PolarHBondContact O-N 2.61Å; S371-Y392 PolarHBondContact OG-OH 3.32Å; S371-A429 WeakPolarHBondContact CB-O 3.02Å; S371-A429 WeakPolarHBondContact OG-CB 3.19Å; S371-A429 PolarHBondContact OG-O 2.87Å
372	A	93.2	Very high	88.9	Confident	32 Å²	32	43.9 Å²	43.9	26%	0.264	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-46.5	170.1	0	0	0	0	0	111.1	Q368 L369 G375 V376 T432 V436	Q368-A372 WeakPolarHBondContact O-CB 3.43Å; Q368-A372 PolarHBondContact O-N 3.19Å; L369-A372 PolarHBondContact O-N 2.85Å; A372-G375 PolarHBondContact O-N 3.36Å; A372-V376 WeakPolarHBondContact O-CG2 3.45Å; A372-V376 PolarHBondContact O-N 3.21Å; A372-T432 HydrophobicContact CB-CG2 4.13Å; A372-V436 HydrophobicContact CB-CG2 4.46Å
373	L	93.6	Very high	88.2	Confident	105 Å²	105	46.8 Å²	46.8	55%	0.55	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-43.6	177.3	-70.1	177.9	0	0	0	112.9	L369 V370 G375 V376 L377	L369-L373 HydrophobicContact CD2-CD1 3.59Å; L369-L373 HydrophobicContact CD2-CG 4.3Å; L369-L373 WeakPolarHBondContact O-CG 3.46Å; L369-L373 PolarHBondContact O-N 3.08Å; V370-L373 PolarHBondContact O-N 2.76Å; L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.35Å; L373-V376 PolarHBondContact O-N 3.34Å; L373-L377 WeakPolarHBondContact O-CB 2.9Å; L373-L377 PolarHBondContact O-N 2.9Å
374	L	92.2	Very high	87.6	Confident	18 Å²	18	56.4 Å²	56.4	9%	0.094	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-37.5	174.4	-71.9	175.5	0	0	0	111	V370 V376 L377 W378 Y392 V395 F433	V370-L374 HydrophobicContact CG1-CD1 3.85Å; V370-L374 HydrophobicContact CG1-CG 4.19Å; V370-L374 WeakPolarHBondContact O-CB 3.03Å; V370-L374 VanDerWaalsContact O-CG 3.29Å; V370-L374 WeakPolarHBondContact O-CG 3.25Å; V370-L374 PolarHBondContact O-N 3.09Å; L374-V376 VanDerWaalsContact C-N 3.33Å; L374-L377 PolarHBondContact O-N 3.41Å; L374-W378 HydrophobicContact CD2-CE3 4.45Å; L374-W378 HydrophobicContact CD2-CZ3 3.95Å; L374-W378 WeakPolarHBondContact O-CB 3.32Å; L374-W378 PolarHBondContact O-N 2.8Å; L374-Y392 HydrophobicContact CB-CD2 4.41Å; L374-Y392 HydrophobicContact CD1-CD2 3.93Å; L374-Y392 HydrophobicContact CD1-CE2 4.06Å; L374-V395 HydrophobicContact CD1-CG1 3.88Å; L374-V395 HydrophobicContact CD2-CG1 4.07Å; L374-F433 HydrophobicContact CB-CD2 4.13Å; L374-F433 HydrophobicContact CB-CE2 4.35Å
375	G	91.3	Very high	87	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-40.2	174	0	0	0	0	0	111.8	S371 A372 L373 G379 W437	S371-G375 PolarHBondContact O-N 2.61Å; A372-G375 PolarHBondContact O-N 3.36Å; L373-G375 VanDerWaalsContact C-N 3.29Å; L373-G375 PolarHBondContact O-N 3.35Å; G375-G379 PolarHBondContact O-N 2.77Å; G375-W437 WeakPolarHBondContact O-CA 3.16Å
376	V	90	Very high	86.6	Confident	35 Å²	35	53.3 Å²	53.3	21%	0.212	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-50.2	172.6	177.7	0	0	0	0	110.9	V302 A372 L373 L374 W378 G379 T380 V436 L440	V302-V376 HydrophobicContact CG1-CG1 4.42Å; A372-V376 WeakPolarHBondContact O-CG2 3.45Å; A372-V376 PolarHBondContact O-N 3.21Å; L373-V376 PolarHBondContact O-N 3.34Å; L374-V376 VanDerWaalsContact C-N 3.33Å; V376-W378 PolarHBondContact O-N 2.95Å; V376-G379 WeakPolarHBondContact O-CA 3.17Å; V376-G379 PolarHBondContact O-N 3.06Å; V376-G379 VanDerWaalsContact O-N 3.09Å; V376-T380 WeakPolarHBondContact O-CG2 3.41Å; V376-T380 PolarHBondContact O-N 2.82Å; V376-T380 PolarHBondContact O-OG1 3.4Å; V376-V436 HydrophobicContact CG2-CG1 3.83Å; V376-L440 VanDerWaalsContact CA-CD1 3.44Å; V376-L440 HydrophobicContact CB-CD1 3.98Å; V376-L440 HydrophobicContact CG1-CD1 4.14Å; V376-L440 HydrophobicContact CG2-CD1 3.81Å
377	L	88.7	Confident	86.4	Confident	82 Å²	82	57.5 Å²	57.5	43%	0.429	32%	0.324	S	S	.	.	H	α-helix	trans	-60.7	-44.6	-179	-177.6	61.1	0	0	0	111.9	L373 L374 G379 T380 L381	L373-L377 WeakPolarHBondContact O-CB 2.9Å; L373-L377 PolarHBondContact O-N 2.9Å; L374-L377 PolarHBondContact O-N 3.41Å; L377-G379 VanDerWaalsContact C-N 3.32Å; L377-T380 PolarHBondContact O-N 3.06Å; L377-T380 PolarHBondContact O-OG1 3.31Å; L377-L381 HydrophobicContact CD1-CD1 3.85Å; L377-L381 HydrophobicContact CD1-CG 4.27Å; L377-L381 HydrophobicContact CG-CD1 4Å; L377-L381 WeakPolarHBondContact O-CB 3.42Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.21Å
378	W	88.5	Confident	86.1	Confident	22 Å²	22	57.2 Å²	57.2	8%	0.083	32%	0.324	C	S	.	.	H	α-helix	trans	-71.4	-23.5	175	-95.2	-123.3	0	0	0	113.4	L374 V376 L381 L383 A388 I391 F433 W437	L374-W378 HydrophobicContact CD2-CE3 4.45Å; L374-W378 HydrophobicContact CD2-CZ3 3.95Å; L374-W378 WeakPolarHBondContact O-CB 3.32Å; L374-W378 PolarHBondContact O-N 2.8Å; V376-W378 PolarHBondContact O-N 2.95Å; W378-L381 CarbonylContact C-O 3.54Å; W378-L383 HydrophobicContact CD2-CD1 3.6Å; W378-L383 HydrophobicContact CE3-CD1 4.21Å; W378-L383 HydrophobicContact CG-CD1 3.87Å; W378-L383 HydrophobicContact CH2-CD1 4.36Å; W378-L383 HydrophobicContact CZ2-CD1 3.77Å; W378-A388 PolarHBondContact NE1-O 3.34Å; W378-I391 HydrophobicContact CH2-CG2 3.99Å; W378-I391 HydrophobicContact CZ2-CB 4.1Å; W378-I391 HydrophobicContact CZ2-CG2 3.57Å; W378-F433 HydrophobicContact CB-CE2 4.03Å; W378-F433 HydrophobicContact CB-CZ 4.37Å; W378-F433 AromaticContact CD1-CZ 3.8Å; W378-F433 HydrophobicContact CD2-CE2 4.42Å; W378-F433 AromaticContact CG-CE2 3.94Å; W378-F433 HydrophobicContact CG-CE2 3.94Å; W378-F433 HydrophobicContact CG-CZ 4.06Å; W378-W437 HydrophobicContact CB-CD2 4.3Å; W378-W437 HydrophobicContact CB-CG 3.96Å; W378-W437 PolarHBondContact O-NE1 3.4Å
379	G	82.4	Confident	86.1	Confident	3 Å²	3	58.7 Å²	58.7	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-71.9	-35.6	170.9	0	0	0	0	0	112.1	G375 V376 L377	G375-G379 PolarHBondContact O-N 2.77Å; V376-G379 WeakPolarHBondContact O-CA 3.17Å; V376-G379 PolarHBondContact O-N 3.06Å; V376-G379 VanDerWaalsContact O-N 3.09Å; L377-G379 VanDerWaalsContact C-N 3.32Å
380	T	82.3	Confident	85.9	Confident	76 Å²	76	57.2 Å²	57.2	47%	0.466	33%	0.331	S	S	.	.	H	α-helix	trans	-83.5	-34	178.6	56.6	0	0	0	0	113.8	V376 L377	V376-T380 WeakPolarHBondContact O-CG2 3.41Å; V376-T380 PolarHBondContact O-N 2.82Å; V376-T380 PolarHBondContact O-OG1 3.4Å; L377-T380 PolarHBondContact O-N 3.06Å; L377-T380 PolarHBondContact O-OG1 3.31Å
381	L	80.1	Confident	85.9	Confident	81 Å²	81	59.1 Å²	59.1	42%	0.424	34%	0.34	S	S	.	.	S	Bend	trans	-88.1	127.3	173.4	-64.4	174	0	0	0	108	L377 W378 L383	L377-L381 HydrophobicContact CD1-CD1 3.85Å; L377-L381 HydrophobicContact CD1-CG 4.27Å; L377-L381 HydrophobicContact CG-CD1 4Å; L377-L381 WeakPolarHBondContact O-CB 3.42Å; L377-L381 WeakPolarHBondContact O-CG 3.43Å; L377-L381 PolarHBondContact O-N 3.21Å; W378-L381 CarbonylContact C-O 3.54Å; L381-L383 HydrophobicContact CB-CD1 4.2Å; L381-L383 HydrophobicContact CB-CG 4.02Å; L381-L383 HydrophobicContact CD1-CD1 4.44Å; L381-L383 PolarHBondContact O-N 3.02Å
382	P	68.2	Low	85.9	Confident	96 Å²	96	59.2 Å²	59.2	62%	0.623	34%	0.34	S	S	*	.			trans	-74.2	51.1	-176.6	32	-36.8	0	0	0	112.8
383	L	75	Confident	85.8	Confident	64 Å²	64	60.9 Å²	60.9	34%	0.335	34%	0.342	S	S	.	.			trans	-73	134.2	175.7	-63.5	174	0	0	0	109.1	W378 L381 A388 W437	W378-L383 HydrophobicContact CD2-CD1 3.6Å; W378-L383 HydrophobicContact CE3-CD1 4.21Å; W378-L383 HydrophobicContact CG-CD1 3.87Å; W378-L383 HydrophobicContact CH2-CD1 4.36Å; W378-L383 HydrophobicContact CZ2-CD1 3.77Å; L381-L383 HydrophobicContact CB-CD1 4.2Å; L381-L383 HydrophobicContact CB-CG 4.02Å; L381-L383 HydrophobicContact CD1-CD1 4.44Å; L381-L383 PolarHBondContact O-N 3.02Å; L383-A388 HydrophobicContact CB-CB 4.09Å; L383-W437 WeakPolarHBondContact O-CZ2 3.26Å
384	R	76.8	Confident	85.8	Confident	204 Å²	204	62 Å²	62	77%	0.77	35%	0.347	S	S	*	.			trans	-127.5	147.6	-172.7	-62.4	179.1	-176.4	176.9	0.3	112.3
385	G	78.2	Confident	85.8	Confident	49 Å²	49	63.1 Å²	63.1	51%	0.505	36%	0.355	S	S	.	.	H	α-helix	trans	73.5	-164.6	163.6	0	0	0	0	0	116.6	L387 A388	G385-L387 PolarHBondContact O-N 3.36Å; G385-A388 WeakPolarHBondContact O-CB 3.41Å; G385-A388 PolarHBondContact O-N 3.42Å; G385-A388 VanDerWaalsContact O-N 3.13Å
386	A	83.8	Confident	85.8	Confident	82 Å²	82	63.3 Å²	63.3	68%	0.678	36%	0.356	S	S	*	.	H	α-helix	trans	-61.1	-28.8	-173.2	0	0	0	0	0	114.1	A388 I389 A390	A386-A388 VanDerWaalsContact C-N 3.34Å; A386-I389 PolarHBondContact O-N 3.48Å; A386-A390 PolarHBondContact O-N 2.91Å
387	L	86.7	Confident	85.8	Confident	127 Å²	127	63.3 Å²	63.3	67%	0.665	36%	0.358	S	S	*	.	H	α-helix	trans	-62.3	-42.4	176.2	-176.9	66.9	0	0	0	111.3	G385 I389 A390 I391	G385-L387 PolarHBondContact O-N 3.36Å; L387-I389 VanDerWaalsContact C-N 3.32Å; L387-I389 PolarHBondContact O-N 3.45Å; L387-A390 PolarHBondContact O-N 2.89Å; L387-I391 HydrophobicContact CD1-CD1 4.42Å; L387-I391 HydrophobicContact CG-CD1 4.03Å; L387-I391 VanDerWaalsContact O-CG1 3.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 2.81Å
388	A	87.1	Confident	86	Confident	3 Å²	3	62.7 Å²	62.7	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-62.5	-39.3	178.9	0	0	0	0	0	112	W378 L383 G385 A386 Y392 W437	W378-A388 PolarHBondContact NE1-O 3.34Å; L383-A388 HydrophobicContact CB-CB 4.09Å; G385-A388 WeakPolarHBondContact O-CB 3.41Å; G385-A388 PolarHBondContact O-N 3.42Å; G385-A388 VanDerWaalsContact O-N 3.13Å; A386-A388 VanDerWaalsContact C-N 3.34Å; A388-Y392 PolarHBondContact O-N 3.38Å; A388-Y392 VanDerWaalsContact O-N 3.09Å; A388-W437 HydrophobicContact CB-CH2 3.64Å; A388-W437 HydrophobicContact CB-CZ2 3.92Å; A388-W437 HydrophobicContact CB-CZ3 4.5Å
389	I	90.6	Very high	86.2	Confident	54 Å²	54	64.6 Å²	64.6	28%	0.277	37%	0.371	S	S	.	.	H	α-helix	trans	-68.3	-42.9	176.2	-63.1	172.9	0	0	0	111.1	A386 L387 I391 Y392 F393 F430 W437	A386-I389 PolarHBondContact O-N 3.48Å; L387-I389 VanDerWaalsContact C-N 3.32Å; L387-I389 PolarHBondContact O-N 3.45Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 2.81Å; I389-Y392 WeakPolarHBondContact O-CB 3.43Å; I389-Y392 PolarHBondContact O-N 2.84Å; I389-F393 HydrophobicContact CG2-CD2 4.06Å; I389-F393 HydrophobicContact CG2-CE2 3.54Å; I389-F393 HydrophobicContact CG2-CZ 4Å; I389-F393 PolarHBondContact O-N 2.92Å; I389-F393 VanDerWaalsContact O-N 3.09Å; I389-F430 HydrophobicContact CG2-CE2 4.01Å; I389-F430 HydrophobicContact CG2-CZ 3.99Å; I389-W437 HydrophobicContact CG1-CH2 4.36Å; I389-W437 HydrophobicContact CG1-CZ3 3.9Å
390	A	89.8	Confident	86.5	Confident	48 Å²	48	64.9 Å²	64.9	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-62	-41.6	177.4	0	0	0	0	0	111.9	A386 L387 F393 L394	A386-A390 PolarHBondContact O-N 2.91Å; L387-A390 PolarHBondContact O-N 2.89Å; A390-F393 PolarHBondContact O-N 3.5Å; A390-L394 WeakPolarHBondContact O-CG 3.5Å; A390-L394 PolarHBondContact O-N 3.12Å; A390-L394 VanDerWaalsContact O-N 3.14Å
391	I	91.8	Very high	86.9	Confident	61 Å²	61	64.3 Å²	64.3	31%	0.313	36%	0.364	S	S	.	.	H	α-helix	trans	-63.7	-42.7	175.5	-63.5	164.6	0	0	0	110.5	W378 L387 I389 F393 L394 V395	W378-I391 HydrophobicContact CH2-CG2 3.99Å; W378-I391 HydrophobicContact CZ2-CB 4.1Å; W378-I391 HydrophobicContact CZ2-CG2 3.57Å; L387-I391 HydrophobicContact CD1-CD1 4.42Å; L387-I391 HydrophobicContact CG-CD1 4.03Å; L387-I391 VanDerWaalsContact O-CG1 3.28Å; L387-I391 WeakPolarHBondContact O-CG1 3.44Å; L387-I391 PolarHBondContact O-N 2.81Å; I389-I391 VanDerWaalsContact C-N 3.34Å; I389-I391 PolarHBondContact O-N 2.81Å; I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.34Å; I391-L394 PolarHBondContact O-N 2.99Å; I391-V395 HydrophobicContact CG2-CG2 3.99Å; I391-V395 WeakPolarHBondContact O-CB 3.31Å; I391-V395 VanDerWaalsContact O-CG2 3.31Å; I391-V395 WeakPolarHBondContact O-CG2 3.21Å; I391-V395 PolarHBondContact O-N 3.09Å
392	Y	93	Very high	87.4	Confident	1 Å²	1	64.7 Å²	64.7	0%	0.004	37%	0.366	C	S	.	.	H	α-helix	trans	-55.2	-48	175	166.7	-93.2	0	0	0	111.9	S371 L374 A388 I389 L394 V395 C396 A429 F430 F433	S371-Y392 PolarHBondContact OG-OH 3.32Å; L374-Y392 HydrophobicContact CB-CD2 4.41Å; L374-Y392 HydrophobicContact CD1-CD2 3.93Å; L374-Y392 HydrophobicContact CD1-CE2 4.06Å; A388-Y392 PolarHBondContact O-N 3.38Å; A388-Y392 VanDerWaalsContact O-N 3.09Å; I389-Y392 WeakPolarHBondContact O-CB 3.43Å; I389-Y392 PolarHBondContact O-N 2.84Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 3.33Å; Y392-V395 PolarHBondContact O-N 2.98Å; Y392-C396 HydrophobicContact CE1-CB 4.38Å; Y392-C396 HydrophobicContact CE2-CB 4.34Å; Y392-C396 VanDerWaalsContact O-CB 3.23Å; Y392-C396 WeakPolarHBondContact O-CB 3.15Å; Y392-C396 PolarHBondContact O-N 3.41Å; Y392-A429 PolarHBondContact OH-O 3.26Å; Y392-F430 AromaticContact CD1-CD2 3.68Å; Y392-F430 HydrophobicContact CD1-CD2 3.68Å; Y392-F430 HydrophobicContact CD1-CE2 4.08Å; Y392-F430 HydrophobicContact CE1-CB 4.08Å; Y392-F430 AromaticContact CE1-CD2 3.39Å; Y392-F430 HydrophobicContact CE1-CD2 3.39Å; Y392-F430 HydrophobicContact CE1-CE2 4.25Å; Y392-F430 HydrophobicContact CE1-CG 4.16Å; Y392-F430 WeakPolarHBondContact OH-CA 3.44Å; Y392-F430 PolarHBondContact OH-N 3.33Å; Y392-F433 HydrophobicContact CD1-CD1 4.1Å; Y392-F433 HydrophobicContact CD1-CE1 4.34Å; Y392-F433 HydrophobicContact CD2-CB 4.1Å; Y392-F433 AromaticContact CD2-CD1 3.77Å; Y392-F433 HydrophobicContact CD2-CD1 3.77Å; Y392-F433 AromaticContact CD2-CD2 3.45Å; Y392-F433 HydrophobicContact CD2-CD2 3.45Å; Y392-F433 VanDerWaalsContact CD2-CD2 3.45Å; Y392-F433 HydrophobicContact CD2-CE1 4.03Å; Y392-F433 AromaticContact CD2-CE2 3.74Å; Y392-F433 HydrophobicContact CD2-CE2 3.74Å; Y392-F433 AromaticContact CD2-CG 3.48Å; Y392-F433 HydrophobicContact CD2-CG 3.48Å; Y392-F433 VanDerWaalsContact CD2-CG 3.48Å; Y392-F433 HydrophobicContact CD2-CZ 4.02Å; Y392-F433 HydrophobicContact CE1-CD1 4.36Å; Y392-F433 HydrophobicContact CE2-CB 3.53Å; Y392-F433 HydrophobicContact CE2-CD1 4.03Å; Y392-F433 AromaticContact CE2-CD2 3.72Å; Y392-F433 HydrophobicContact CE2-CD2 3.72Å; Y392-F433 HydrophobicContact CE2-CE2 4.45Å; Y392-F433 AromaticContact CE2-CG 3.47Å; Y392-F433 HydrophobicContact CE2-CG 3.47Å; Y392-F433 VanDerWaalsContact CE2-CG 3.47Å; Y392-F433 AromaticContact CG-CD1 3.81Å; Y392-F433 HydrophobicContact CG-CD1 3.81Å; Y392-F433 HydrophobicContact CG-CD2 4.23Å; Y392-F433 AromaticContact CG-CE1 3.82Å; Y392-F433 HydrophobicContact CG-CE1 3.82Å; Y392-F433 HydrophobicContact CG-CE2 4.25Å; Y392-F433 HydrophobicContact CG-CG 4.03Å; Y392-F433 HydrophobicContact CG-CZ 4.05Å
393	F	92.4	Very high	88.5	Confident	67 Å²	67	61.2 Å²	61.2	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-62.7	-39.1	179.8	-69.5	-38.6	0	0	0	112.9	I389 A390 I391 S397 F426 F430	I389-F393 HydrophobicContact CG2-CD2 4.06Å; I389-F393 HydrophobicContact CG2-CE2 3.54Å; I389-F393 HydrophobicContact CG2-CZ 4Å; I389-F393 PolarHBondContact O-N 2.92Å; I389-F393 VanDerWaalsContact O-N 3.09Å; A390-F393 PolarHBondContact O-N 3.5Å; I391-F393 VanDerWaalsContact C-N 3.34Å; I391-F393 PolarHBondContact O-N 3.34Å; F393-S397 VanDerWaalsContact O-CB 3.3Å; F393-S397 WeakPolarHBondContact O-CB 3.23Å; F393-S397 PolarHBondContact O-N 3.44Å; F393-S397 VanDerWaalsContact O-N 3.09Å; F393-S397 PolarHBondContact O-OG 3.24Å; F393-F426 HydrophobicContact CD1-CE1 4.35Å; F393-F426 AromaticContact CD1-CE2 3.64Å; F393-F426 HydrophobicContact CD1-CE2 3.64Å; F393-F426 AromaticContact CD1-CZ 3.26Å; F393-F426 HydrophobicContact CD1-CZ 3.26Å; F393-F426 AromaticContact CE1-CE1 3.88Å; F393-F426 HydrophobicContact CE1-CE1 3.88Å; F393-F426 AromaticContact CE1-CE2 3.95Å; F393-F426 HydrophobicContact CE1-CE2 3.95Å; F393-F426 AromaticContact CE1-CZ 3.19Å; F393-F426 HydrophobicContact CE1-CZ 3.19Å; F393-F426 HydrophobicContact CG-CZ 4.23Å; F393-F426 HydrophobicContact CZ-CZ 4.12Å; F393-F430 HydrophobicContact CE1-CB 4.46Å; F393-F430 HydrophobicContact CE1-CD1 4.25Å; F393-F430 AromaticContact CE1-CD2 3.61Å; F393-F430 HydrophobicContact CE1-CD2 3.61Å; F393-F430 HydrophobicContact CE1-CE1 4.39Å; F393-F430 AromaticContact CE1-CE2 3.76Å; F393-F430 HydrophobicContact CE1-CE2 3.76Å; F393-F430 AromaticContact CE1-CG 3.85Å; F393-F430 HydrophobicContact CE1-CG 3.85Å; F393-F430 HydrophobicContact CE1-CZ 4.15Å; F393-F430 HydrophobicContact CZ-CD1 4.24Å; F393-F430 HydrophobicContact CZ-CD2 4.01Å; F393-F430 AromaticContact CZ-CE1 3.96Å; F393-F430 HydrophobicContact CZ-CE1 3.96Å; F393-F430 AromaticContact CZ-CE2 3.71Å; F393-F430 HydrophobicContact CZ-CE2 3.71Å; F393-F430 HydrophobicContact CZ-CG 4.25Å; F393-F430 AromaticContact CZ-CZ 3.67Å; F393-F430 HydrophobicContact CZ-CZ 3.67Å
394	L	92.3	Very high	89.2	Confident	128 Å²	128	58.2 Å²	58.2	67%	0.67	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-47.7	175.6	-70.7	172.5	0	0	0	111.7	A390 I391 Y392 S397 C398	A390-L394 WeakPolarHBondContact O-CG 3.5Å; A390-L394 PolarHBondContact O-N 3.12Å; A390-L394 VanDerWaalsContact O-N 3.14Å; I391-L394 PolarHBondContact O-N 2.99Å; Y392-L394 VanDerWaalsContact C-N 3.33Å; Y392-L394 PolarHBondContact O-N 3.33Å; L394-S397 PolarHBondContact O-N 2.79Å; L394-C398 WeakPolarHBondContact O-CB 3.35Å; L394-C398 PolarHBondContact O-N 3.11Å
395	V	92.8	Very high	89.7	Confident	43 Å²	43	50.8 Å²	50.8	26%	0.261	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-46.3	-179.2	173.1	0	0	0	0	110.9	L374 I391 Y392 S397 C398 I399	L374-V395 HydrophobicContact CD1-CG1 3.88Å; L374-V395 HydrophobicContact CD2-CG1 4.07Å; I391-V395 HydrophobicContact CG2-CG2 3.99Å; I391-V395 WeakPolarHBondContact O-CB 3.31Å; I391-V395 VanDerWaalsContact O-CG2 3.31Å; I391-V395 WeakPolarHBondContact O-CG2 3.21Å; I391-V395 PolarHBondContact O-N 3.09Å; Y392-V395 PolarHBondContact O-N 2.98Å; V395-S397 PolarHBondContact O-N 3Å; V395-C398 PolarHBondContact O-N 3.26Å; V395-I399 HydrophobicContact CG1-CD1 3.6Å; V395-I399 HydrophobicContact CG1-CG1 4.3Å; V395-I399 WeakPolarHBondContact O-CB 3.49Å; V395-I399 VanDerWaalsContact O-CG1 3.28Å; V395-I399 WeakPolarHBondContact O-CG1 3.33Å; V395-I399 PolarHBondContact O-N 3.5Å
396	C	92.1	Very high	90.2	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-43.3	179.5	-173.2	0	0	0	0	111.8	Y392 S400	Y392-C396 HydrophobicContact CE1-CB 4.38Å; Y392-C396 HydrophobicContact CE2-CB 4.34Å; Y392-C396 VanDerWaalsContact O-CB 3.23Å; Y392-C396 WeakPolarHBondContact O-CB 3.15Å; Y392-C396 PolarHBondContact O-N 3.41Å; C396-S400 WeakPolarHBondContact O-CB 3.27Å; C396-S400 PolarHBondContact O-N 3.29Å; C396-S400 VanDerWaalsContact O-N 3.07Å; C396-S400 PolarHBondContact O-OG 2.95Å
397	S	90.2	Very high	90.6	Very high	35 Å²	35	51.8 Å²	51.8	25%	0.245	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-41.8	177	-56.2	0	0	0	0	111.9	F393 L394 V395 S400 H401	F393-S397 VanDerWaalsContact O-CB 3.3Å; F393-S397 WeakPolarHBondContact O-CB 3.23Å; F393-S397 PolarHBondContact O-N 3.44Å; F393-S397 VanDerWaalsContact O-N 3.09Å; F393-S397 PolarHBondContact O-OG 3.24Å; L394-S397 PolarHBondContact O-N 2.79Å; V395-S397 PolarHBondContact O-N 3Å; S397-S400 PolarHBondContact O-N 2.87Å; S397-H401 WeakPolarHBondContact O-CB 3.37Å; S397-H401 PolarHBondContact O-N 3.16Å
398	C	92.7	Very high	90.8	Very high	69 Å²	69	45.9 Å²	45.9	47%	0.466	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-47.2	178.2	-173.3	0	0	0	0	112	L394 V395 S400 H401 L402	L394-C398 WeakPolarHBondContact O-CB 3.35Å; L394-C398 PolarHBondContact O-N 3.11Å; V395-C398 PolarHBondContact O-N 3.26Å; C398-S400 VanDerWaalsContact C-N 3.33Å; C398-S400 PolarHBondContact O-N 2.9Å; C398-H401 PolarHBondContact O-N 3.32Å; C398-L402 WeakPolarHBondContact O-CB 3.31Å; C398-L402 VanDerWaalsContact O-CG 3.32Å; C398-L402 WeakPolarHBondContact O-CG 3.41Å; C398-L402 PolarHBondContact O-N 3.22Å
399	I	91.9	Very high	90.8	Very high	63 Å²	63	54.3 Å²	54.3	32%	0.323	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-43.7	177.4	-69.2	170.3	0	0	0	110.7	V370 V395 H401 L402 Y403	V370-I399 HydrophobicContact CG1-CD1 3.74Å; V370-I399 HydrophobicContact CG1-CG2 4.48Å; V370-I399 HydrophobicContact CG2-CG2 4.33Å; V395-I399 HydrophobicContact CG1-CD1 3.6Å; V395-I399 HydrophobicContact CG1-CG1 4.3Å; V395-I399 WeakPolarHBondContact O-CB 3.49Å; V395-I399 VanDerWaalsContact O-CG1 3.28Å; V395-I399 WeakPolarHBondContact O-CG1 3.33Å; V395-I399 PolarHBondContact O-N 3.5Å; I399-H401 PolarHBondContact O-N 3.34Å; I399-L402 PolarHBondContact O-N 2.9Å; I399-Y403 VanDerWaalsContact O-CB 3.28Å; I399-Y403 WeakPolarHBondContact O-CB 3.5Å; I399-Y403 PolarHBondContact O-N 3.37Å
400	S	89.6	Confident	90.6	Very high	8 Å²	8	53 Å²	53	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-43.1	179.2	-55.8	0	0	0	0	111.9	K367 C396 S397 C398 V404	K367-S400 WeakPolarHBondContact CE-OG 3.3Å; C396-S400 WeakPolarHBondContact O-CB 3.27Å; C396-S400 PolarHBondContact O-N 3.29Å; C396-S400 VanDerWaalsContact O-N 3.07Å; C396-S400 PolarHBondContact O-OG 2.95Å; S397-S400 PolarHBondContact O-N 2.87Å; C398-S400 VanDerWaalsContact C-N 3.33Å; C398-S400 PolarHBondContact O-N 2.9Å; S400-V404 PolarHBondContact O-N 3.36Å
401	H	89	Confident	90.2	Very high	64 Å²	64	55.9 Å²	55.9	30%	0.296	29%	0.291	S	S	.	.	H	α-helix	trans	-64.6	-50.2	176.6	179.4	65.7	0	0	0	111.7	S397 C398 I399 Y403 V404 T405 E412 L418	S397-H401 WeakPolarHBondContact O-CB 3.37Å; S397-H401 PolarHBondContact O-N 3.16Å; C398-H401 PolarHBondContact O-N 3.32Å; I399-H401 PolarHBondContact O-N 3.34Å; H401-Y403 VanDerWaalsContact C-N 3.27Å; H401-Y403 PolarHBondContact O-N 3.08Å; H401-V404 PolarHBondContact O-N 3.1Å; H401-T405 VanDerWaalsContact CE1-CG2 3.49Å; H401-T405 WeakPolarHBondContact CE1-CG2 3.44Å; H401-T405 PolarHBondContact O-N 2.86Å; H401-T405 PolarHBondContact O-OG1 3.16Å; H401-E412 IonicContact CE1-OE1 3.83Å; H401-E412 PolarHBondContact CE1-OE1 3.46Å; H401-E412 IonicContact ND1-OE1 3.04Å; H401-E412 PolarHBondContact ND1-OE1 2.93Å; H401-L418 HydrophobicContact CB-CD1 3.89Å; H401-L418 VanDerWaalsContact ND1-CD1 3.35Å; H401-L418 WeakPolarHBondContact ND1-CD1 3.28Å
402	L	90.6	Very high	89.6	Confident	90 Å²	90	56.1 Å²	56.1	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-34.6	179.6	-70.4	174.6	0	0	0	112.4	C398 I399 S406 F407	C398-L402 WeakPolarHBondContact O-CB 3.31Å; C398-L402 VanDerWaalsContact O-CG 3.32Å; C398-L402 WeakPolarHBondContact O-CG 3.41Å; C398-L402 PolarHBondContact O-N 3.22Å; I399-L402 PolarHBondContact O-N 2.9Å; L402-S406 WeakPolarHBondContact O-CA 3.45Å; L402-S406 WeakPolarHBondContact O-CB 2.93Å; L402-S406 PolarHBondContact O-N 3.44Å; L402-F407 PolarHBondContact O-N 2.88Å; L402-F407 VanDerWaalsContact O-N 3.14Å
403	Y	91.2	Very high	89	Confident	22 Å²	22	64.1 Å²	64.1	9%	0.086	33%	0.329	C	S	.	.	I	π-helix	trans	-62.3	-45.6	175.6	179	-104.2	0	0	0	111.7	A346 L359 I363 L366 I399 H401 F407 Q408	A346-Y403 VanDerWaalsContact CA-OH 3.26Å; A346-Y403 WeakPolarHBondContact CA-OH 3.45Å; A346-Y403 WeakPolarHBondContact O-CE2 3.44Å; A346-Y403 PolarHBondContact O-OH 2.84Å; L359-Y403 HydrophobicContact CD1-CE1 4.42Å; I363-Y403 HydrophobicContact CG1-CD1 4.06Å; I363-Y403 HydrophobicContact CG1-CE1 3.96Å; L366-Y403 HydrophobicContact CD2-CD1 3.97Å; L366-Y403 HydrophobicContact CD2-CD2 3.42Å; L366-Y403 VanDerWaalsContact CD2-CD2 3.42Å; L366-Y403 HydrophobicContact CD2-CE1 4.08Å; L366-Y403 HydrophobicContact CD2-CE2 3.54Å; L366-Y403 HydrophobicContact CD2-CG 3.64Å; I399-Y403 VanDerWaalsContact O-CB 3.28Å; I399-Y403 WeakPolarHBondContact O-CB 3.5Å; I399-Y403 PolarHBondContact O-N 3.37Å; H401-Y403 VanDerWaalsContact C-N 3.27Å; H401-Y403 PolarHBondContact O-N 3.08Å; Y403-F407 HydrophobicContact CD2-CB 4.26Å; Y403-F407 AromaticContact CD2-CD1 3.84Å; Y403-F407 HydrophobicContact CD2-CD1 3.84Å; Y403-F407 HydrophobicContact CD2-CG 4.27Å; Y403-F407 AromaticContact CE2-CD1 3.57Å; Y403-F407 HydrophobicContact CE2-CD1 3.57Å; Y403-F407 AromaticContact CE2-CE1 4Å; Y403-F407 HydrophobicContact CE2-CE1 4Å; Y403-F407 HydrophobicContact CE2-CG 4.43Å; Y403-F407 WeakPolarHBondContact O-CB 3.41Å; Y403-F407 PolarHBondContact O-N 3.3Å; Y403-Q408 HydrophobicContact CD1-CG 4.46Å; Y403-Q408 HydrophobicContact CE1-CG 3.92Å; Y403-Q408 HydrophobicContact CE2-CG 4.27Å; Y403-Q408 PolarHBondContact O-N 3.17Å; Y403-Q408 PolarHBondContact OH-NE2 2.63Å
404	V	89.7	Confident	88.4	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.012	34%	0.336	C	S	.	.	I	π-helix	trans	-72.6	-48.7	-179.5	172.2	0	0	0	0	111.8	I363 S400 H401 R409 V410 I415 V421	I363-V404 HydrophobicContact CD1-CG2 3.78Å; I363-V404 HydrophobicContact CG1-CG2 4.46Å; S400-V404 PolarHBondContact O-N 3.36Å; H401-V404 PolarHBondContact O-N 3.1Å; V404-R409 PolarHBondContact O-N 2.77Å; V404-V410 PolarHBondContact O-N 3.03Å; V404-I415 HydrophobicContact CG1-CD1 3.4Å; V404-I415 VanDerWaalsContact CG1-CD1 3.4Å; V404-I415 HydrophobicContact CG2-CD1 4.38Å; V404-V421 HydrophobicContact CG2-CG1 3.72Å; V404-V421 HydrophobicContact CG2-CG2 3.99Å
405	T	88.8	Confident	87.8	Confident	47 Å²	47	60.6 Å²	60.6	29%	0.288	31%	0.305	S	S	.	.	I	π-helix	trans	-83.3	-41	-171	58.6	0	0	0	0	113.8	H401 R409 E412	H401-T405 VanDerWaalsContact CE1-CG2 3.49Å; H401-T405 WeakPolarHBondContact CE1-CG2 3.44Å; H401-T405 PolarHBondContact O-N 2.86Å; H401-T405 PolarHBondContact O-OG1 3.16Å; T405-R409 WeakPolarHBondContact O-CA 3.48Å; T405-E412 HydrophobicContact CG2-CG 4.1Å; T405-E412 WeakPolarHBondContact CG2-OE1 3.48Å
406	S	88.8	Confident	87.2	Confident	79 Å²	79	60.8 Å²	60.8	55%	0.552	32%	0.315	S	S	*	.	I	π-helix	trans	-94.9	-42.8	-173.8	-171.1	0	0	0	0	112.2	L402 R409	L402-S406 WeakPolarHBondContact O-CA 3.45Å; L402-S406 WeakPolarHBondContact O-CB 2.93Å; L402-S406 PolarHBondContact O-N 3.44Å; S406-R409 WeakPolarHBondContact O-CG 3.4Å
407	F	91.3	Very high	86.8	Confident	73 Å²	73	61.7 Å²	61.7	32%	0.32	33%	0.325	S	S	.	.	I	π-helix	trans	-86.9	-50.9	-173.4	-172	-93.8	0	0	0	113.3	A346 I347 P349 N350 L402 Y403	A346-F407 WeakPolarHBondContact O-CE1 3.3Å; I347-F407 WeakPolarHBondContact O-CZ 3.48Å; P349-F407 WeakPolarHBondContact CA-O 3.3Å; P349-F407 HydrophobicContact CB-CE2 4.38Å; P349-F407 HydrophobicContact CB-CZ 4.39Å; P349-F407 HydrophobicContact CG-CE2 3.88Å; P349-F407 HydrophobicContact CG-CZ 3.88Å; N350-F407 PolarHBondContact N-O 3.1Å; N350-F407 VanDerWaalsContact N-O 3.09Å; N350-F407 PolarHBondContact OD1-O 3.22Å; L402-F407 PolarHBondContact O-N 2.88Å; L402-F407 VanDerWaalsContact O-N 3.14Å; Y403-F407 HydrophobicContact CD2-CB 4.26Å; Y403-F407 AromaticContact CD2-CD1 3.84Å; Y403-F407 HydrophobicContact CD2-CD1 3.84Å; Y403-F407 HydrophobicContact CD2-CG 4.27Å; Y403-F407 AromaticContact CE2-CD1 3.57Å; Y403-F407 HydrophobicContact CE2-CD1 3.57Å; Y403-F407 AromaticContact CE2-CE1 4Å; Y403-F407 HydrophobicContact CE2-CE1 4Å; Y403-F407 HydrophobicContact CE2-CG 4.43Å; Y403-F407 WeakPolarHBondContact O-CB 3.41Å; Y403-F407 PolarHBondContact O-N 3.3Å
408	Q	90.8	Very high	86.4	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.019	33%	0.327	C	S	.	.	S	Bend	trans	-86.8	-21.3	176.1	-67.4	-62.1	-17.6	0	0	113	R345 A346 T348 N350 W353 L359 Y403 V410	R345-Q408 PolarHBondContact O-NE2 2.9Å; A346-Q408 PolarHBondContact O-NE2 3.12Å; T348-Q408 PolarHBondContact O-NE2 2.9Å; N350-Q408 PolarHBondContact OD1-O 3.21Å; W353-Q408 VanDerWaalsContact NE1-CD 3.31Å; L359-Q408 HydrophobicContact CD1-CG 4.46Å; Y403-Q408 HydrophobicContact CD1-CG 4.46Å; Y403-Q408 HydrophobicContact CE1-CG 3.92Å; Y403-Q408 HydrophobicContact CE2-CG 4.27Å; Y403-Q408 PolarHBondContact O-N 3.17Å; Y403-Q408 PolarHBondContact OH-NE2 2.63Å; Q408-V410 HydrophobicContact CB-CG2 3.92Å; Q408-V410 PolarHBondContact O-N 3.22Å; Q408-V410 VanDerWaalsContact O-N 3.17Å
409	R	87.6	Confident	86	Confident	179 Å²	179	62 Å²	62	68%	0.675	33%	0.327	S	S	*	.			trans	48.9	37.8	-176.7	-58	-176.5	-175.3	171.1	-4.6	113.3	N350 V404 T405 S406	N350-R409 VanDerWaalsContact OD1-CB 3.25Å; N350-R409 WeakPolarHBondContact OD1-CB 3.44Å; N350-R409 WeakPolarHBondContact OD1-CD 3.35Å; N350-R409 WeakPolarHBondContact OD1-CG 3.41Å; V404-R409 PolarHBondContact O-N 2.77Å; T405-R409 WeakPolarHBondContact O-CA 3.48Å; S406-R409 WeakPolarHBondContact O-CG 3.4Å
410	V	85.7	Confident	85.7	Confident	27 Å²	27	62.5 Å²	62.5	16%	0.164	33%	0.328	C	S	.	.			trans	-84.1	138.1	175.5	178.7	0	0	0	0	108.2	L359 V404 Q408 E412 W414 I415	L359-V410 HydrophobicContact CD2-CB 4.46Å; L359-V410 HydrophobicContact CD2-CG1 4.25Å; L359-V410 HydrophobicContact CD2-CG2 4.19Å; V404-V410 PolarHBondContact O-N 3.03Å; Q408-V410 HydrophobicContact CB-CG2 3.92Å; Q408-V410 PolarHBondContact O-N 3.22Å; Q408-V410 VanDerWaalsContact O-N 3.17Å; V410-E412 PolarHBondContact O-N 3.22Å; V410-W414 HydrophobicContact CG1-CD2 4.45Å; V410-W414 HydrophobicContact CG1-CE3 3.57Å; V410-W414 HydrophobicContact CG1-CZ3 4.1Å; V410-I415 HydrophobicContact CB-CD1 4.07Å; V410-I415 HydrophobicContact CG1-CD1 3.64Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å
411	D	81.9	Confident	85.5	Confident	109 Å²	109	62.2 Å²	62.2	58%	0.583	33%	0.326	S	S	*	.			trans	-64.2	127.8	176.6	-159.8	-21.2	0	0	0	110.3	E413 W414	D411-E413 PolarHBondContact O-N 3.39Å; D411-E413 PolarHBondContact OD1-N 2.94Å; D411-W414 HydrophobicContact CB-CB 4.46Å; D411-W414 WeakPolarHBondContact O-CB 3.42Å; D411-W414 PolarHBondContact O-N 2.96Å; D411-W414 VanDerWaalsContact O-N 3.09Å
412	E	78.1	Confident	85.4	Confident	65 Å²	65	61.6 Å²	61.6	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-32.3	-176.3	-66.2	-170.2	169	0	0	111.6	H401 T405 V410 W414 I415 G416 G417	H401-E412 IonicContact CE1-OE1 3.83Å; H401-E412 PolarHBondContact CE1-OE1 3.46Å; H401-E412 IonicContact ND1-OE1 3.04Å; H401-E412 PolarHBondContact ND1-OE1 2.93Å; T405-E412 HydrophobicContact CG2-CG 4.1Å; T405-E412 WeakPolarHBondContact CG2-OE1 3.48Å; V410-E412 PolarHBondContact O-N 3.22Å; E412-W414 VanDerWaalsContact C-N 3.31Å; E412-W414 PolarHBondContact O-N 3.47Å; E412-I415 PolarHBondContact O-N 2.88Å; E412-G416 PolarHBondContact O-N 3.42Å; E412-G417 VanDerWaalsContact O-CA 3.32Å; E412-G417 WeakPolarHBondContact O-CA 3.46Å; E412-G417 PolarHBondContact O-N 3.29Å
413	E	81.5	Confident	85.2	Confident	170 Å²	170	65 Å²	65	79%	0.794	34%	0.335	S	S	*	.	H	α-helix	trans	-64.7	-34.3	177.3	-72.2	-172.5	176.1	0	0	112.3	D411 I415 G416	D411-E413 PolarHBondContact O-N 3.39Å; D411-E413 PolarHBondContact OD1-N 2.94Å; E413-I415 VanDerWaalsContact C-N 3.33Å; E413-I415 PolarHBondContact O-N 3.31Å; E413-G416 PolarHBondContact O-N 2.91Å
414	W	79.7	Confident	85.1	Confident	121 Å²	121	67 Å²	67	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-68.2	-32.9	179.4	-177.7	83.3	0	0	0	112.4	W353 K356 L359 V410 D411 E412 G416	W353-W414 HydrophobicContact CB-CH2 4.22Å; W353-W414 HydrophobicContact CB-CZ3 4.47Å; W353-W414 WeakPolarHBondContact O-CH2 3.43Å; K356-W414 HydrophobicContact CB-CH2 4.08Å; K356-W414 HydrophobicContact CB-CZ3 4.3Å; L359-W414 HydrophobicContact CD2-CZ3 4.12Å; V410-W414 HydrophobicContact CG1-CD2 4.45Å; V410-W414 HydrophobicContact CG1-CE3 3.57Å; V410-W414 HydrophobicContact CG1-CZ3 4.1Å; D411-W414 HydrophobicContact CB-CB 4.46Å; D411-W414 WeakPolarHBondContact O-CB 3.42Å; D411-W414 PolarHBondContact O-N 2.96Å; D411-W414 VanDerWaalsContact O-N 3.09Å; E412-W414 VanDerWaalsContact C-N 3.31Å; E412-W414 PolarHBondContact O-N 3.47Å; W414-G416 VanDerWaalsContact C-N 3.34Å
415	I	79.9	Confident	85	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-80.7	-15.4	177.9	-56.1	170.5	0	0	0	111.5	K356 L359 L360 V404 V410 E412 E413 V421	K356-I415 WeakPolarHBondContact CE-O 3.36Å; K356-I415 PolarHBondContact NZ-O 3.42Å; L359-I415 HydrophobicContact CD2-CD1 3.56Å; L359-I415 HydrophobicContact CD2-CG1 3.96Å; L360-I415 HydrophobicContact CD2-CG2 4.14Å; V404-I415 HydrophobicContact CG1-CD1 3.4Å; V404-I415 VanDerWaalsContact CG1-CD1 3.4Å; V404-I415 HydrophobicContact CG2-CD1 4.38Å; V410-I415 HydrophobicContact CB-CD1 4.07Å; V410-I415 HydrophobicContact CG1-CD1 3.64Å; V410-I415 HydrophobicContact CG1-CG1 3.74Å; E412-I415 PolarHBondContact O-N 2.88Å; E413-I415 VanDerWaalsContact C-N 3.33Å; E413-I415 PolarHBondContact O-N 3.31Å; I415-V421 HydrophobicContact CB-CG2 4.47Å; I415-V421 HydrophobicContact CD1-CG2 4.28Å; I415-V421 HydrophobicContact CG2-CG2 3.7Å
416	G	80.6	Confident	85	Confident	47 Å²	47	67.9 Å²	67.9	49%	0.485	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	15	-172.9	0	0	0	0	0	114.2	E412 E413 W414 E420	E412-G416 PolarHBondContact O-N 3.42Å; E413-G416 PolarHBondContact O-N 2.91Å; W414-G416 VanDerWaalsContact C-N 3.34Å; G416-E420 WeakPolarHBondContact CA-OE2 3.38Å
417	G	84	Confident	84.9	Confident	22 Å²	22	68.3 Å²	68.3	23%	0.227	35%	0.35	C	S	.	.			trans	95	163.9	174.9	0	0	0	0	0	114.4	E412 A419 E420	E412-G417 VanDerWaalsContact O-CA 3.32Å; E412-G417 WeakPolarHBondContact O-CA 3.46Å; E412-G417 PolarHBondContact O-N 3.29Å; G417-A419 PolarHBondContact O-N 3.12Å; G417-A419 VanDerWaalsContact O-N 3.11Å; G417-E420 PolarHBondContact O-N 3.13Å
418	L	81.5	Confident	85	Confident	53 Å²	53	67.4 Å²	67.4	28%	0.277	35%	0.351	S	S	.	.	H	α-helix	trans	-57.1	-29.6	-178.7	-174.6	61.4	0	0	0	113.5	H401 E420 V421 I422	H401-L418 HydrophobicContact CB-CD1 3.89Å; H401-L418 VanDerWaalsContact ND1-CD1 3.35Å; H401-L418 WeakPolarHBondContact ND1-CD1 3.28Å; L418-E420 VanDerWaalsContact C-N 3.29Å; L418-E420 PolarHBondContact O-N 2.84Å; L418-V421 HydrophobicContact CD1-CB 4.49Å; L418-V421 PolarHBondContact O-N 3.22Å; L418-I422 HydrophobicContact CD1-CD1 4.31Å; L418-I422 HydrophobicContact CD1-CG1 4.28Å; L418-I422 HydrophobicContact CD2-CD1 4.14Å; L418-I422 HydrophobicContact CG-CD1 3.77Å; L418-I422 HydrophobicContact CG-CG1 4.18Å; L418-I422 WeakPolarHBondContact O-CB 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.19Å
419	A	82.6	Confident	85	Confident	58 Å²	58	67.2 Å²	67.2	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-63.7	-34.5	178.6	0	0	0	0	0	112.6	G417 K423	G417-A419 PolarHBondContact O-N 3.12Å; G417-A419 VanDerWaalsContact O-N 3.11Å; A419-K423 VanDerWaalsContact O-CB 3.29Å; A419-K423 WeakPolarHBondContact O-CB 3.34Å; A419-K423 WeakPolarHBondContact O-CD 3.28Å; A419-K423 WeakPolarHBondContact O-CG 3.42Å; A419-K423 PolarHBondContact O-N 2.71Å
420	E	86.1	Confident	85.3	Confident	72 Å²	72	60.9 Å²	60.9	34%	0.336	33%	0.327	S	S	.	.	H	α-helix	trans	-72.4	-43.6	177.7	-160.8	163.1	178.6	0	0	110.4	K356 G416 G417 L418 I422 K423 E424	K356-E420 WeakPolarHBondContact CE-OE1 3.47Å; K356-E420 IonicContact NZ-OE1 2.71Å; K356-E420 PolarHBondContact NZ-OE1 2.99Å; K356-E420 IonicContact NZ-OE2 2.81Å; K356-E420 PolarHBondContact NZ-OE2 3.36Å; G416-E420 WeakPolarHBondContact CA-OE2 3.38Å; G417-E420 PolarHBondContact O-N 3.13Å; L418-E420 VanDerWaalsContact C-N 3.29Å; L418-E420 PolarHBondContact O-N 2.84Å; E420-I422 PolarHBondContact O-N 3.5Å; E420-K423 PolarHBondContact O-N 2.74Å; E420-E424 WeakPolarHBondContact O-CB 3.17Å; E420-E424 PolarHBondContact O-N 2.91Å
421	V	86.4	Confident	85.6	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-57.2	-45.1	172.1	173.8	0	0	0	0	111.7	I363 K367 V404 I415 L418	I363-V421 HydrophobicContact CD1-CG1 4.28Å; I363-V421 HydrophobicContact CD1-CG2 4.42Å; K367-V421 PolarHBondContact NZ-O 2.02Å; V404-V421 HydrophobicContact CG2-CG1 3.72Å; V404-V421 HydrophobicContact CG2-CG2 3.99Å; I415-V421 HydrophobicContact CB-CG2 4.47Å; I415-V421 HydrophobicContact CD1-CG2 4.28Å; I415-V421 HydrophobicContact CG2-CG2 3.7Å; L418-V421 HydrophobicContact CD1-CB 4.49Å; L418-V421 PolarHBondContact O-N 3.22Å
422	I	86.3	Confident	86	Confident	50 Å²	50	58.9 Å²	58.9	26%	0.256	32%	0.324	S	S	.	.	H	α-helix	trans	-68.6	-43.5	-180	-70.9	172.4	0	0	0	110.8	K367 L418 E420 F426	K367-I422 PolarHBondContact NZ-O 3Å; L418-I422 HydrophobicContact CD1-CD1 4.31Å; L418-I422 HydrophobicContact CD1-CG1 4.28Å; L418-I422 HydrophobicContact CD2-CD1 4.14Å; L418-I422 HydrophobicContact CG-CD1 3.77Å; L418-I422 HydrophobicContact CG-CG1 4.18Å; L418-I422 WeakPolarHBondContact O-CB 3.32Å; L418-I422 WeakPolarHBondContact O-CG1 3.17Å; L418-I422 PolarHBondContact O-N 3.19Å; E420-I422 PolarHBondContact O-N 3.5Å; I422-F426 WeakPolarHBondContact O-CB 3.23Å
423	K	87.1	Confident	86.8	Confident	163 Å²	163	55.8 Å²	55.8	71%	0.709	31%	0.31	S	S	*	.	H	α-helix	trans	-66.2	-36.8	-178.5	-77.9	173.4	-178.7	179.7	0	112.9	A419 E420 G425 F426	A419-K423 VanDerWaalsContact O-CB 3.29Å; A419-K423 WeakPolarHBondContact O-CB 3.34Å; A419-K423 WeakPolarHBondContact O-CD 3.28Å; A419-K423 WeakPolarHBondContact O-CG 3.42Å; A419-K423 PolarHBondContact O-N 2.71Å; E420-K423 PolarHBondContact O-N 2.74Å; K423-G425 PolarHBondContact O-N 2.8Å; K423-F426 WeakPolarHBondContact O-CB 3.41Å; K423-F426 PolarHBondContact O-N 2.74Å; K423-F426 VanDerWaalsContact O-N 3.09Å
424	E	88.4	Confident	87.2	Confident	62 Å²	62	50 Å²	50	29%	0.29	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	122	-175.5	-171.9	50.1	-119.5	0	0	111.4	L360 K367 E420 F426	L360-E424 HydrophobicContact CB-CG 4.1Å; L360-E424 HydrophobicContact CD2-CB 4.21Å; L360-E424 HydrophobicContact CD2-CG 4.13Å; K367-E424 WeakPolarHBondContact CD-O 3.46Å; K367-E424 PolarHBondContact NZ-O 3.21Å; E420-E424 WeakPolarHBondContact O-CB 3.17Å; E420-E424 PolarHBondContact O-N 2.91Å; E424-F426 PolarHBondContact O-N 2.84Å
425	G	87.1	Confident	87.7	Confident	8 Å²	8	48.1 Å²	48.1	8%	0.082	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	9.7	-177.8	0	0	0	0	0	117.5	Y364 K423 T428 A429	Y364-G425 VanDerWaalsContact CD2-CA 3.46Å; K423-G425 PolarHBondContact O-N 2.8Å; G425-T428 PolarHBondContact O-OG1 3.33Å; G425-A429 WeakPolarHBondContact O-CB 3.02Å; G425-A429 PolarHBondContact O-N 2.87Å
426	F	88.9	Confident	88.2	Confident	60 Å²	60	49.8 Å²	49.8	26%	0.263	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-47.9	-171.7	177.8	-97.9	0	0	0	113.5	F393 I422 K423 E424 T428 A429 F430	F393-F426 HydrophobicContact CD1-CE1 4.35Å; F393-F426 AromaticContact CD1-CE2 3.64Å; F393-F426 HydrophobicContact CD1-CE2 3.64Å; F393-F426 AromaticContact CD1-CZ 3.26Å; F393-F426 HydrophobicContact CD1-CZ 3.26Å; F393-F426 AromaticContact CE1-CE1 3.88Å; F393-F426 HydrophobicContact CE1-CE1 3.88Å; F393-F426 AromaticContact CE1-CE2 3.95Å; F393-F426 HydrophobicContact CE1-CE2 3.95Å; F393-F426 AromaticContact CE1-CZ 3.19Å; F393-F426 HydrophobicContact CE1-CZ 3.19Å; F393-F426 HydrophobicContact CG-CZ 4.23Å; F393-F426 HydrophobicContact CZ-CZ 4.12Å; I422-F426 WeakPolarHBondContact O-CB 3.23Å; K423-F426 WeakPolarHBondContact O-CB 3.41Å; K423-F426 PolarHBondContact O-N 2.74Å; K423-F426 VanDerWaalsContact O-N 3.09Å; E424-F426 PolarHBondContact O-N 2.84Å; F426-T428 PolarHBondContact O-N 2.88Å; F426-A429 PolarHBondContact O-N 2.99Å; F426-F430 WeakPolarHBondContact O-CB 3.32Å; F426-F430 PolarHBondContact O-N 3.38Å
427	S	87.8	Confident	88.6	Confident	88 Å²	88	48.8 Å²	48.8	62%	0.615	28%	0.278	S	S	*	.	H	α-helix	trans	-64.3	-42.5	-177.4	52.3	0	0	0	0	111.7	A431	S427-A431 WeakPolarHBondContact O-CB 3.42Å; S427-A431 PolarHBondContact O-N 2.85Å
428	T	92.3	Very high	88.5	Confident	54 Å²	54	52.8 Å²	52.8	33%	0.331	29%	0.293	S	S	.	.	H	α-helix	trans	-70.1	-39.4	177.7	52	0	0	0	0	111.7	Y364 Q368 G425 F426 A431 T432	Y364-T428 WeakPolarHBondContact CE2-OG1 3.39Å; Q368-T428 VanDerWaalsContact NE2-CB 3.28Å; Q368-T428 PolarHBondContact NE2-OG1 2.81Å; Q368-T428 VanDerWaalsContact NE2-OG1 3.08Å; G425-T428 PolarHBondContact O-OG1 3.33Å; F426-T428 PolarHBondContact O-N 2.88Å; T428-A431 PolarHBondContact O-N 3.07Å; T428-T432 PolarHBondContact O-N 3.12Å; T428-T432 PolarHBondContact O-OG1 3.39Å; T428-T432 VanDerWaalsContact O-OG1 3.1Å
429	A	91.4	Very high	88.6	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-66.7	-40.5	176.3	0	0	0	0	0	111.8	K367 S371 Y392 G425 F426 T432 F433	K367-A429 HydrophobicContact CB-CB 4.08Å; S371-A429 WeakPolarHBondContact CB-O 3.02Å; S371-A429 WeakPolarHBondContact OG-CB 3.19Å; S371-A429 PolarHBondContact OG-O 2.87Å; Y392-A429 PolarHBondContact OH-O 3.26Å; G425-A429 WeakPolarHBondContact O-CB 3.02Å; G425-A429 PolarHBondContact O-N 2.87Å; F426-A429 PolarHBondContact O-N 2.99Å; A429-T432 PolarHBondContact O-N 3.04Å; A429-F433 PolarHBondContact O-N 3.28Å
430	F	93.7	Very high	88.7	Confident	46 Å²	46	51.8 Å²	51.8	20%	0.202	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-41.4	174.3	179.5	-126.3	0	0	0	112	I389 Y392 F393 F426 F433 L434	I389-F430 HydrophobicContact CG2-CE2 4.01Å; I389-F430 HydrophobicContact CG2-CZ 3.99Å; Y392-F430 AromaticContact CD1-CD2 3.68Å; Y392-F430 HydrophobicContact CD1-CD2 3.68Å; Y392-F430 HydrophobicContact CD1-CE2 4.08Å; Y392-F430 HydrophobicContact CE1-CB 4.08Å; Y392-F430 AromaticContact CE1-CD2 3.39Å; Y392-F430 HydrophobicContact CE1-CD2 3.39Å; Y392-F430 HydrophobicContact CE1-CE2 4.25Å; Y392-F430 HydrophobicContact CE1-CG 4.16Å; Y392-F430 WeakPolarHBondContact OH-CA 3.44Å; Y392-F430 PolarHBondContact OH-N 3.33Å; F393-F430 HydrophobicContact CE1-CB 4.46Å; F393-F430 HydrophobicContact CE1-CD1 4.25Å; F393-F430 AromaticContact CE1-CD2 3.61Å; F393-F430 HydrophobicContact CE1-CD2 3.61Å; F393-F430 HydrophobicContact CE1-CE1 4.39Å; F393-F430 AromaticContact CE1-CE2 3.76Å; F393-F430 HydrophobicContact CE1-CE2 3.76Å; F393-F430 AromaticContact CE1-CG 3.85Å; F393-F430 HydrophobicContact CE1-CG 3.85Å; F393-F430 HydrophobicContact CE1-CZ 4.15Å; F393-F430 HydrophobicContact CZ-CD1 4.24Å; F393-F430 HydrophobicContact CZ-CD2 4.01Å; F393-F430 AromaticContact CZ-CE1 3.96Å; F393-F430 HydrophobicContact CZ-CE1 3.96Å; F393-F430 AromaticContact CZ-CE2 3.71Å; F393-F430 HydrophobicContact CZ-CE2 3.71Å; F393-F430 HydrophobicContact CZ-CG 4.25Å; F393-F430 AromaticContact CZ-CZ 3.67Å; F393-F430 HydrophobicContact CZ-CZ 3.67Å; F426-F430 WeakPolarHBondContact O-CB 3.32Å; F426-F430 PolarHBondContact O-N 3.38Å; F430-F433 HydrophobicContact CD2-CD1 4.02Å; F430-F433 HydrophobicContact CE2-CD1 4.09Å; F430-F433 HydrophobicContact CE2-CE1 4.44Å; F430-F433 WeakPolarHBondContact O-CB 3.4Å; F430-F433 PolarHBondContact O-N 2.76Å; F430-L434 HydrophobicContact CD1-CD1 4.17Å; F430-L434 HydrophobicContact CD2-CG 4.23Å; F430-L434 HydrophobicContact CE1-CD1 3.65Å; F430-L434 HydrophobicContact CE1-CG 4.32Å; F430-L434 HydrophobicContact CE2-CD1 4.08Å; F430-L434 HydrophobicContact CE2-CD2 3.96Å; F430-L434 HydrophobicContact CE2-CG 3.85Å; F430-L434 HydrophobicContact CZ-CD1 3.62Å; F430-L434 HydrophobicContact CZ-CD2 4.04Å; F430-L434 HydrophobicContact CZ-CG 3.91Å; F430-L434 WeakPolarHBondContact O-CG 3.49Å; F430-L434 PolarHBondContact O-N 2.81Å
431	A	91.9	Very high	88.3	Confident	49 Å²	49	50.7 Å²	50.7	41%	0.405	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-44.9	173.4	0	0	0	0	0	111.8	S427 T428 F433 L434 V435	S427-A431 WeakPolarHBondContact O-CB 3.42Å; S427-A431 PolarHBondContact O-N 2.85Å; T428-A431 PolarHBondContact O-N 3.07Å; A431-F433 PolarHBondContact O-N 2.81Å; A431-L434 PolarHBondContact O-N 3.14Å; A431-V435 WeakPolarHBondContact O-CG2 3.02Å; A431-V435 PolarHBondContact O-N 3.02Å
432	T	91.5	Very high	87.8	Confident	45 Å²	45	55.9 Å²	55.9	28%	0.276	30%	0.301	S	S	.	.	H	α-helix	trans	-58.9	-45.2	174.3	-62.5	0	0	0	0	111.5	Q368 A372 T428 A429 V435 V436	Q368-T432 PolarHBondContact OE1-OG1 3.34Å; A372-T432 HydrophobicContact CB-CG2 4.13Å; T428-T432 PolarHBondContact O-N 3.12Å; T428-T432 PolarHBondContact O-OG1 3.39Å; T428-T432 VanDerWaalsContact O-OG1 3.1Å; A429-T432 PolarHBondContact O-N 3.04Å; T432-V435 PolarHBondContact O-N 3.07Å; T432-V436 HydrophobicContact CG2-CG2 4.4Å; T432-V436 VanDerWaalsContact O-CG2 3.29Å; T432-V436 WeakPolarHBondContact O-CG2 3.03Å; T432-V436 PolarHBondContact O-N 2.85Å
433	F	93.6	Very high	87.2	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-51	174.6	163.2	-102.1	0	0	0	111.9	L374 W378 Y392 A429 F430 A431 V435 V436 W437	L374-F433 HydrophobicContact CB-CD2 4.13Å; L374-F433 HydrophobicContact CB-CE2 4.35Å; W378-F433 HydrophobicContact CB-CE2 4.03Å; W378-F433 HydrophobicContact CB-CZ 4.37Å; W378-F433 AromaticContact CD1-CZ 3.8Å; W378-F433 HydrophobicContact CD2-CE2 4.42Å; W378-F433 AromaticContact CG-CE2 3.94Å; W378-F433 HydrophobicContact CG-CE2 3.94Å; W378-F433 HydrophobicContact CG-CZ 4.06Å; Y392-F433 HydrophobicContact CD1-CD1 4.1Å; Y392-F433 HydrophobicContact CD1-CE1 4.34Å; Y392-F433 HydrophobicContact CD2-CB 4.1Å; Y392-F433 AromaticContact CD2-CD1 3.77Å; Y392-F433 HydrophobicContact CD2-CD1 3.77Å; Y392-F433 AromaticContact CD2-CD2 3.45Å; Y392-F433 HydrophobicContact CD2-CD2 3.45Å; Y392-F433 VanDerWaalsContact CD2-CD2 3.45Å; Y392-F433 HydrophobicContact CD2-CE1 4.03Å; Y392-F433 AromaticContact CD2-CE2 3.74Å; Y392-F433 HydrophobicContact CD2-CE2 3.74Å; Y392-F433 AromaticContact CD2-CG 3.48Å; Y392-F433 HydrophobicContact CD2-CG 3.48Å; Y392-F433 VanDerWaalsContact CD2-CG 3.48Å; Y392-F433 HydrophobicContact CD2-CZ 4.02Å; Y392-F433 HydrophobicContact CE1-CD1 4.36Å; Y392-F433 HydrophobicContact CE2-CB 3.53Å; Y392-F433 HydrophobicContact CE2-CD1 4.03Å; Y392-F433 AromaticContact CE2-CD2 3.72Å; Y392-F433 HydrophobicContact CE2-CD2 3.72Å; Y392-F433 HydrophobicContact CE2-CE2 4.45Å; Y392-F433 AromaticContact CE2-CG 3.47Å; Y392-F433 HydrophobicContact CE2-CG 3.47Å; Y392-F433 VanDerWaalsContact CE2-CG 3.47Å; Y392-F433 AromaticContact CG-CD1 3.81Å; Y392-F433 HydrophobicContact CG-CD1 3.81Å; Y392-F433 HydrophobicContact CG-CD2 4.23Å; Y392-F433 AromaticContact CG-CE1 3.82Å; Y392-F433 HydrophobicContact CG-CE1 3.82Å; Y392-F433 HydrophobicContact CG-CE2 4.25Å; Y392-F433 HydrophobicContact CG-CG 4.03Å; Y392-F433 HydrophobicContact CG-CZ 4.05Å; A429-F433 PolarHBondContact O-N 3.28Å; F430-F433 HydrophobicContact CD2-CD1 4.02Å; F430-F433 HydrophobicContact CE2-CD1 4.09Å; F430-F433 HydrophobicContact CE2-CE1 4.44Å; F430-F433 WeakPolarHBondContact O-CB 3.4Å; F430-F433 PolarHBondContact O-N 2.76Å; A431-F433 PolarHBondContact O-N 2.81Å; F433-V435 PolarHBondContact O-N 2.78Å; F433-V436 PolarHBondContact O-N 2.9Å; F433-W437 HydrophobicContact CD1-CE3 4.46Å; F433-W437 HydrophobicContact CE1-CD2 4.41Å; F433-W437 AromaticContact CE1-CE3 3.51Å; F433-W437 HydrophobicContact CE1-CE3 3.51Å; F433-W437 AromaticContact CE1-CZ3 3.96Å; F433-W437 HydrophobicContact CE1-CZ3 3.96Å; F433-W437 HydrophobicContact CE2-CB 4.4Å; F433-W437 HydrophobicContact CE2-CE3 4.49Å; F433-W437 HydrophobicContact CZ-CB 4.47Å; F433-W437 HydrophobicContact CZ-CD2 4.02Å; F433-W437 AromaticContact CZ-CE3 3.52Å; F433-W437 HydrophobicContact CZ-CE3 3.52Å; F433-W437 HydrophobicContact CZ-CG 4.44Å; F433-W437 HydrophobicContact CZ-CZ3 4.09Å; F433-W437 WeakPolarHBondContact O-CB 3.36Å; F433-W437 PolarHBondContact O-N 2.89Å
434	L	90.7	Very high	86.4	Confident	48 Å²	48	53.7 Å²	53.7	25%	0.251	30%	0.3	S	S	.	.	H	α-helix	trans	-61	-45.1	-179.3	-73.2	179.8	0	0	0	111.8	F430 A431 W437 I438	F430-L434 HydrophobicContact CD1-CD1 4.17Å; F430-L434 HydrophobicContact CD2-CG 4.23Å; F430-L434 HydrophobicContact CE1-CD1 3.65Å; F430-L434 HydrophobicContact CE1-CG 4.32Å; F430-L434 HydrophobicContact CE2-CD1 4.08Å; F430-L434 HydrophobicContact CE2-CD2 3.96Å; F430-L434 HydrophobicContact CE2-CG 3.85Å; F430-L434 HydrophobicContact CZ-CD1 3.62Å; F430-L434 HydrophobicContact CZ-CD2 4.04Å; F430-L434 HydrophobicContact CZ-CG 3.91Å; F430-L434 WeakPolarHBondContact O-CG 3.49Å; F430-L434 PolarHBondContact O-N 2.81Å; A431-L434 PolarHBondContact O-N 3.14Å; L434-W437 HydrophobicContact CD2-CE3 4.07Å; L434-W437 HydrophobicContact CD2-CZ3 4.24Å; L434-W437 PolarHBondContact O-N 3.44Å; L434-I438 HydrophobicContact CB-CD1 4.39Å; L434-I438 VanDerWaalsContact O-CB 3.24Å; L434-I438 WeakPolarHBondContact O-CB 3.23Å; L434-I438 WeakPolarHBondContact O-CD1 3.46Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 2.96Å
435	V	90.1	Very high	85.6	Confident	83 Å²	83	56 Å²	56	50%	0.503	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-48.6	179.2	170.2	0	0	0	0	110.7	A431 T432 F433 L439	A431-V435 WeakPolarHBondContact O-CG2 3.02Å; A431-V435 PolarHBondContact O-N 3.02Å; T432-V435 PolarHBondContact O-N 3.07Å; F433-V435 PolarHBondContact O-N 2.78Å; V435-L439 HydrophobicContact CG1-CD1 3.63Å; V435-L439 HydrophobicContact CG1-CG 4.34Å; V435-L439 WeakPolarHBondContact O-CB 3.47Å; V435-L439 WeakPolarHBondContact O-CG 3.31Å; V435-L439 PolarHBondContact O-N 2.84Å
436	V	90.1	Very high	84.9	Confident	35 Å²	35	58.3 Å²	58.3	21%	0.212	32%	0.323	C	S	.	.	H	α-helix	trans	-64.9	-44.7	-179.8	176.1	0	0	0	0	111.2	A372 V376 T432 F433 L440	A372-V436 HydrophobicContact CB-CG2 4.46Å; V376-V436 HydrophobicContact CG2-CG1 3.83Å; T432-V436 HydrophobicContact CG2-CG2 4.4Å; T432-V436 VanDerWaalsContact O-CG2 3.29Å; T432-V436 WeakPolarHBondContact O-CG2 3.03Å; T432-V436 PolarHBondContact O-N 2.85Å; F433-V436 PolarHBondContact O-N 2.9Å; V436-L440 HydrophobicContact CG1-CD1 3.77Å; V436-L440 VanDerWaalsContact O-CB 3.32Å; V436-L440 WeakPolarHBondContact O-CB 2.92Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 2.76Å
437	W	88.3	Confident	84.1	Confident	26 Å²	26	59.6 Å²	59.6	10%	0.098	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-53	178.5	176.5	27	0	0	0	112	G375 W378 L383 A388 I389 F433 L434 L439 L440 V441	G375-W437 WeakPolarHBondContact O-CA 3.16Å; W378-W437 HydrophobicContact CB-CD2 4.3Å; W378-W437 HydrophobicContact CB-CG 3.96Å; W378-W437 PolarHBondContact O-NE1 3.4Å; L383-W437 WeakPolarHBondContact O-CZ2 3.26Å; A388-W437 HydrophobicContact CB-CH2 3.64Å; A388-W437 HydrophobicContact CB-CZ2 3.92Å; A388-W437 HydrophobicContact CB-CZ3 4.5Å; I389-W437 HydrophobicContact CG1-CH2 4.36Å; I389-W437 HydrophobicContact CG1-CZ3 3.9Å; F433-W437 HydrophobicContact CD1-CE3 4.46Å; F433-W437 HydrophobicContact CE1-CD2 4.41Å; F433-W437 AromaticContact CE1-CE3 3.51Å; F433-W437 HydrophobicContact CE1-CE3 3.51Å; F433-W437 AromaticContact CE1-CZ3 3.96Å; F433-W437 HydrophobicContact CE1-CZ3 3.96Å; F433-W437 HydrophobicContact CE2-CB 4.4Å; F433-W437 HydrophobicContact CE2-CE3 4.49Å; F433-W437 HydrophobicContact CZ-CB 4.47Å; F433-W437 HydrophobicContact CZ-CD2 4.02Å; F433-W437 AromaticContact CZ-CE3 3.52Å; F433-W437 HydrophobicContact CZ-CE3 3.52Å; F433-W437 HydrophobicContact CZ-CG 4.44Å; F433-W437 HydrophobicContact CZ-CZ3 4.09Å; F433-W437 WeakPolarHBondContact O-CB 3.36Å; F433-W437 PolarHBondContact O-N 2.89Å; L434-W437 HydrophobicContact CD2-CE3 4.07Å; L434-W437 HydrophobicContact CD2-CZ3 4.24Å; L434-W437 PolarHBondContact O-N 3.44Å; W437-L439 PolarHBondContact O-N 3.08Å; W437-L440 PolarHBondContact O-N 3.12Å; W437-V441 WeakPolarHBondContact O-CG2 3.36Å; W437-V441 PolarHBondContact O-N 3.34Å
438	I	83	Confident	84	Confident	105 Å²	105	57.8 Å²	57.8	54%	0.538	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-46	-178.3	-68.1	166.8	0	0	0	110.6	L434 L440 V441 H442	L434-I438 HydrophobicContact CB-CD1 4.39Å; L434-I438 VanDerWaalsContact O-CB 3.24Å; L434-I438 WeakPolarHBondContact O-CB 3.23Å; L434-I438 WeakPolarHBondContact O-CD1 3.46Å; L434-I438 WeakPolarHBondContact O-CG1 3.46Å; L434-I438 PolarHBondContact O-N 2.96Å; I438-L440 PolarHBondContact O-N 2.87Å; I438-V441 PolarHBondContact O-N 2.89Å; I438-H442 VanDerWaalsContact O-CB 3.24Å; I438-H442 WeakPolarHBondContact O-CB 3.35Å; I438-H442 PolarHBondContact O-N 2.9Å
439	L	83.9	Confident	83.3	Confident	66 Å²	66	59.8 Å²	59.8	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-63.3	-42.1	178.9	-73	175.3	0	0	0	111.4	F295 V435 W437 H442 L443	F295-L439 HydrophobicContact CE2-CD1 4.2Å; V435-L439 HydrophobicContact CG1-CD1 3.63Å; V435-L439 HydrophobicContact CG1-CG 4.34Å; V435-L439 WeakPolarHBondContact O-CB 3.47Å; V435-L439 WeakPolarHBondContact O-CG 3.31Å; V435-L439 PolarHBondContact O-N 2.84Å; W437-L439 PolarHBondContact O-N 3.08Å; L439-H442 PolarHBondContact O-N 3.21Å; L439-L443 VanDerWaalsContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CB 3.36Å; L439-L443 WeakPolarHBondContact O-CG 3.5Å; L439-L443 PolarHBondContact O-N 3.25Å
440	L	83.4	Confident	82.8	Confident	25 Å²	25	66.5 Å²	66.5	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-42.6	178.5	-78.2	170.1	0	0	0	112.4	V376 V436 W437 I438 H442 L443 T444	V376-L440 VanDerWaalsContact CA-CD1 3.44Å; V376-L440 HydrophobicContact CB-CD1 3.98Å; V376-L440 HydrophobicContact CG1-CD1 4.14Å; V376-L440 HydrophobicContact CG2-CD1 3.81Å; V436-L440 HydrophobicContact CG1-CD1 3.77Å; V436-L440 VanDerWaalsContact O-CB 3.32Å; V436-L440 WeakPolarHBondContact O-CB 2.92Å; V436-L440 WeakPolarHBondContact O-CG 3.49Å; V436-L440 PolarHBondContact O-N 2.76Å; W437-L440 PolarHBondContact O-N 3.12Å; I438-L440 PolarHBondContact O-N 2.87Å; L440-H442 VanDerWaalsContact C-N 3.31Å; L440-H442 PolarHBondContact O-N 3.34Å; L440-L443 PolarHBondContact O-N 2.86Å; L440-T444 VanDerWaalsContact O-CB 3.23Å; L440-T444 WeakPolarHBondContact O-CB 3.43Å; L440-T444 WeakPolarHBondContact O-CG2 3.4Å; L440-T444 PolarHBondContact O-N 3.46Å; L440-T444 PolarHBondContact O-OG1 3.42Å
441	V	79.1	Confident	82.7	Confident	48 Å²	48	65 Å²	65	29%	0.291	36%	0.358	S	S	.	.	H	α-helix	trans	-58.1	-48.4	173.2	172.5	0	0	0	0	109.7	W437 I438 T444 H445	W437-V441 WeakPolarHBondContact O-CG2 3.36Å; W437-V441 PolarHBondContact O-N 3.34Å; I438-V441 PolarHBondContact O-N 2.89Å; V441-T444 WeakPolarHBondContact CA-OG1 3.32Å; V441-T444 PolarHBondContact O-N 2.96Å; V441-T444 PolarHBondContact O-OG1 3.15Å; V441-T444 VanDerWaalsContact O-OG1 3.06Å; V441-H445 WeakPolarHBondContact O-CB 3.47Å; V441-H445 PolarHBondContact O-N 3.27Å; V441-H445 VanDerWaalsContact O-N 3.09Å; V441-H445 PolarHBondContact O-ND1 2.96Å
442	H	75.1	Confident	82.7	Confident	112 Å²	112	66 Å²	66	52%	0.519	36%	0.356	S	S	.	.	H	α-helix	trans	-59.4	-53.4	178.4	-176.5	72.8	0	0	0	112	I438 L439 L440 T444 H445 V446	I438-H442 VanDerWaalsContact O-CB 3.24Å; I438-H442 WeakPolarHBondContact O-CB 3.35Å; I438-H442 PolarHBondContact O-N 2.9Å; L439-H442 PolarHBondContact O-N 3.21Å; L440-H442 VanDerWaalsContact C-N 3.31Å; L440-H442 PolarHBondContact O-N 3.34Å; H442-T444 VanDerWaalsContact C-N 3.31Å; H442-T444 PolarHBondContact O-N 2.9Å; H442-H445 PolarHBondContact O-N 2.9Å; H442-V446 VanDerWaalsContact CE1-CG2 3.41Å; H442-V446 WeakPolarHBondContact CE1-CG2 3.46Å; H442-V446 WeakPolarHBondContact O-CB 3.38Å; H442-V446 WeakPolarHBondContact O-CG2 3.38Å; H442-V446 PolarHBondContact O-N 3.27Å
443	L	72.7	Confident	82.7	Confident	94 Å²	94	64 Å²	64	49%	0.492	35%	0.345	S	S	.	.	H	α-helix	trans	-67.7	-28.3	-177.1	-68	172.6	0	0	0	113.5	F295 L439 L440	F295-L443 HydrophobicContact CE1-CD1 4.32Å; F295-L443 HydrophobicContact CZ-CD1 4.29Å; L439-L443 VanDerWaalsContact O-CB 3.24Å; L439-L443 WeakPolarHBondContact O-CB 3.36Å; L439-L443 WeakPolarHBondContact O-CG 3.5Å; L439-L443 PolarHBondContact O-N 3.25Å; L440-L443 PolarHBondContact O-N 2.86Å
444	T	72.1	Confident	82.7	Confident	73 Å²	73	66.6 Å²	66.6	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-79.9	-21.7	176.2	53.9	0	0	0	0	113.1	L440 V441 H442	L440-T444 VanDerWaalsContact O-CB 3.23Å; L440-T444 WeakPolarHBondContact O-CB 3.43Å; L440-T444 WeakPolarHBondContact O-CG2 3.4Å; L440-T444 PolarHBondContact O-N 3.46Å; L440-T444 PolarHBondContact O-OG1 3.42Å; V441-T444 WeakPolarHBondContact CA-OG1 3.32Å; V441-T444 PolarHBondContact O-N 2.96Å; V441-T444 PolarHBondContact O-OG1 3.15Å; V441-T444 VanDerWaalsContact O-OG1 3.06Å; H442-T444 VanDerWaalsContact C-N 3.31Å; H442-T444 PolarHBondContact O-N 2.9Å
445	H	70.3	Confident	82.8	Confident	111 Å²	111	66.1 Å²	66.1	51%	0.514	36%	0.358	S	S	.	.	H	α-helix	trans	-107.6	-14.5	-177.6	-65.5	70.5	0	0	0	113.7	V441 H442 D447	V441-H445 WeakPolarHBondContact O-CB 3.47Å; V441-H445 PolarHBondContact O-N 3.27Å; V441-H445 VanDerWaalsContact O-N 3.09Å; V441-H445 PolarHBondContact O-ND1 2.96Å; H442-H445 PolarHBondContact O-N 2.9Å; H445-D447 PolarHBondContact O-N 3.15Å
446	V	72.3	Confident	83	Confident	56 Å²	56	62.2 Å²	62.2	34%	0.339	33%	0.334	S	S	.	.			trans	-77.3	105.2	172.3	173.1	0	0	0	0	109.2	H442 P449	H442-V446 VanDerWaalsContact CE1-CG2 3.41Å; H442-V446 WeakPolarHBondContact CE1-CG2 3.46Å; H442-V446 WeakPolarHBondContact O-CB 3.38Å; H442-V446 WeakPolarHBondContact O-CG2 3.38Å; H442-V446 PolarHBondContact O-N 3.27Å; V446-P449 HydrophobicContact CG1-CB 3.77Å; V446-P449 HydrophobicContact CG1-CG 4.15Å
447	D	73.4	Confident	83.2	Confident	88 Å²	88	61 Å²	61	47%	0.471	33%	0.326	S	S	.	.			trans	-89.1	125.6	175.6	-71.1	-24.9	0	0	0	110.6	H445 R467	H445-D447 PolarHBondContact O-N 3.15Å; D447-R467 VanDerWaalsContact CG-NH1 3.35Å; D447-R467 IonicContact OD1-CZ 3.03Å; D447-R467 IonicContact OD1-NH1 2.8Å; D447-R467 PolarHBondContact OD1-NH1 3.3Å; D447-R467 IonicContact OD1-NH2 2.76Å; D447-R467 PolarHBondContact OD1-NH2 3.49Å; D447-R467 IonicContact OD2-NH1 2.71Å; D447-R467 IonicContact OD2-NH2 3.96Å
448	F	84.4	Confident	83.5	Confident	49 Å²	49	60 Å²	60	22%	0.215	32%	0.323	C	S	.	.			trans	58.7	52	172	-46.8	-72.3	0	0	0	115.8	D450 V451 L460 S463 L464 R467	F448-D450 PolarHBondContact O-N 3.28Å; F448-D450 VanDerWaalsContact O-N 3.12Å; F448-V451 HydrophobicContact CB-CB 4.14Å; F448-V451 HydrophobicContact CB-CG2 3.79Å; F448-V451 PolarHBondContact O-N 3.45Å; F448-V451 VanDerWaalsContact O-N 3.13Å; F448-L460 HydrophobicContact CB-CD1 4.12Å; F448-L460 HydrophobicContact CD1-CD1 4.08Å; F448-L460 HydrophobicContact CD2-CD1 3.46Å; F448-L460 VanDerWaalsContact CD2-CD1 3.46Å; F448-L460 HydrophobicContact CE1-CD1 4.35Å; F448-L460 HydrophobicContact CE2-CD1 3.78Å; F448-L460 HydrophobicContact CG-CD1 3.61Å; F448-L460 HydrophobicContact CZ-CD1 4.2Å; F448-S463 WeakPolarHBondContact CE1-O 3.42Å; F448-L464 HydrophobicContact CE2-CD1 4.48Å; F448-L464 HydrophobicContact CZ-CB 4.36Å; F448-L464 HydrophobicContact CZ-CD1 3.9Å; F448-R467 HydrophobicContact CE1-CB 4.2Å; F448-R467 HydrophobicContact CZ-CB 4.28Å
449	P	78.3	Confident	84	Confident	97 Å²	97	55 Å²	55	63%	0.63	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-27	-176.9	25.3	-33.4	0	0	0	113.8	V446	V446-P449 HydrophobicContact CG1-CB 3.77Å; V446-P449 HydrophobicContact CG1-CG 4.15Å
450	D	81.6	Confident	84.5	Confident	140 Å²	140	53.2 Å²	53.2	75%	0.749	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.7	-176.6	-56.5	-50.5	0	0	0	113.7	F448 I452	F448-D450 PolarHBondContact O-N 3.28Å; F448-D450 VanDerWaalsContact O-N 3.12Å; D450-I452 PolarHBondContact O-N 2.78Å
451	V	90.6	Very high	85.1	Confident	16 Å²	16	52 Å²	52	10%	0.097	28%	0.281	C	S	.	.			trans	-94.3	102.9	-175	-178.1	0	0	0	0	110.9	F448 P459 L460 S463	F448-V451 HydrophobicContact CB-CB 4.14Å; F448-V451 HydrophobicContact CB-CG2 3.79Å; F448-V451 PolarHBondContact O-N 3.45Å; F448-V451 VanDerWaalsContact O-N 3.13Å; V451-P459 HydrophobicContact CG1-CB 4.39Å; V451-L460 HydrophobicContact CG1-CB 4.45Å; V451-S463 WeakPolarHBondContact CG2-OG 3.34Å
452	I	91.2	Very high	85.7	Confident	68 Å²	68	51.3 Å²	51.3	35%	0.349	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	138.5	171.2	-57.7	176.2	0	0	0	109.8	D450 S454 P459 F731 G735	D450-I452 PolarHBondContact O-N 2.78Å; I452-S454 VanDerWaalsContact C-N 3.3Å; I452-S454 PolarHBondContact O-N 3.47Å; I452-P459 WeakPolarHBondContact O-CB 3.38Å; I452-F731 HydrophobicContact CG2-CD1 4.24Å; I452-F731 HydrophobicContact CG2-CE1 4.15Å; I452-G735 WeakPolarHBondContact CB-O 3.35Å; I452-G735 PolarHBondContact N-O 2.88Å; I452-G735 VanDerWaalsContact O-CA 3.31Å; I452-G735 WeakPolarHBondContact O-CA 3.42Å
453	G	92.4	Very high	86.5	Confident	5 Å²	5	47.2 Å²	47.2	5%	0.052	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	20.2	177.7	0	0	0	0	0	113.9	W455 A456 P459	G453-W455 PolarHBondContact O-N 3.07Å; G453-W455 VanDerWaalsContact O-N 3.11Å; G453-A456 VanDerWaalsContact O-CB 3.3Å; G453-A456 WeakPolarHBondContact O-CB 3.38Å; G453-A456 PolarHBondContact O-N 3.36Å; G453-P459 WeakPolarHBondContact O-CG 3.21Å
454	S	92.8	Very high	87.5	Confident	53 Å²	53	43.8 Å²	43.8	37%	0.371	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-56.4	-28.1	-179.1	59.4	0	0	0	0	113.7	I452 A456 V457	I452-S454 VanDerWaalsContact C-N 3.3Å; I452-S454 PolarHBondContact O-N 3.47Å; S454-A456 PolarHBondContact O-N 3.09Å; S454-V457 WeakPolarHBondContact O-CA 3.39Å; S454-V457 PolarHBondContact O-N 3.34Å
455	W	93.2	Very high	88.5	Confident	39 Å²	39	41.8 Å²	41.8	15%	0.148	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.5	174.7	65.1	-97.3	0	0	0	113.9	G453 V457 T561 A564 R726 F731 D740	G453-W455 PolarHBondContact O-N 3.07Å; G453-W455 VanDerWaalsContact O-N 3.11Å; W455-V457 PolarHBondContact O-N 2.71Å; W455-T561 HydrophobicContact CH2-CG2 3.41Å; W455-T561 VanDerWaalsContact CH2-CG2 3.41Å; W455-T561 HydrophobicContact CZ2-CG2 4.02Å; W455-T561 HydrophobicContact CZ3-CG2 3.76Å; W455-A564 HydrophobicContact CE3-CB 3.98Å; W455-A564 HydrophobicContact CZ3-CB 3.92Å; W455-R726 VanDerWaalsContact CB-CZ 3.46Å; W455-R726 VanDerWaalsContact CB-NH2 3.31Å; W455-R726 VanDerWaalsContact CG-CZ 3.45Å; W455-R726 HydrophobicContact CH2-CG 4.34Å; W455-R726 HydrophobicContact CZ2-CG 4.19Å; W455-F731 AromaticContact CE2-CE2 3.7Å; W455-F731 AromaticContact CE2-CZ 3.94Å; W455-F731 HydrophobicContact CH2-CE2 4.4Å; W455-F731 AromaticContact CZ2-CE2 3.54Å; W455-F731 HydrophobicContact CZ2-CE2 3.54Å; W455-F731 AromaticContact CZ2-CZ 3.88Å; W455-F731 HydrophobicContact CZ2-CZ 3.88Å; W455-F731 AromaticContact NE1-CE2 3.78Å; W455-F731 AromaticContact NE1-CZ 3.63Å; W455-D740 PolarHBondContact NE1-OD1 3.48Å; W455-D740 PolarHBondContact NE1-OD2 3.03Å
456	A	94.1	Very high	89.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-81.5	-0.2	175.1	0	0	0	0	0	112.8	G453 S454 W458 P459 T561 A564 F731	G453-A456 VanDerWaalsContact O-CB 3.3Å; G453-A456 WeakPolarHBondContact O-CB 3.38Å; G453-A456 PolarHBondContact O-N 3.36Å; S454-A456 PolarHBondContact O-N 3.09Å; A456-W458 HydrophobicContact CB-CD2 4.28Å; A456-W458 HydrophobicContact CB-CE3 3.92Å; A456-W458 HydrophobicContact CB-CH2 3.32Å; A456-W458 HydrophobicContact CB-CZ2 3.74Å; A456-W458 HydrophobicContact CB-CZ3 3.43Å; A456-W458 VanDerWaalsContact CB-CZ3 3.43Å; A456-W458 VanDerWaalsContact O-CZ3 3.24Å; A456-W458 WeakPolarHBondContact O-CZ3 3.5Å; A456-W458 PolarHBondContact O-N 2.97Å; A456-P459 HydrophobicContact CB-CG 4.43Å; A456-T561 HydrophobicContact CB-CG2 3.9Å; A456-A564 HydrophobicContact CB-CB 4.28Å; A456-F731 HydrophobicContact CB-CD2 4.21Å; A456-F731 HydrophobicContact CB-CE2 4.35Å
457	V	94.7	Very high	90.2	Very high	10 Å²	10	44.3 Å²	44.3	6%	0.061	23%	0.229	C	C	.	.	S	Bend	trans	67.5	-54.8	179.3	-178.9	0	0	0	0	114.5	S454 W455 P459 L460 L461 F478 Y532 F536 L568	S454-V457 WeakPolarHBondContact O-CA 3.39Å; S454-V457 PolarHBondContact O-N 3.34Å; W455-V457 PolarHBondContact O-N 2.71Å; V457-P459 VanDerWaalsContact C-CD 3.41Å; V457-L460 VanDerWaalsContact O-CB 3.29Å; V457-L460 WeakPolarHBondContact O-CB 3.36Å; V457-L460 PolarHBondContact O-N 3.2Å; V457-L461 HydrophobicContact CG1-CD2 4.02Å; V457-L461 HydrophobicContact CG1-CG 4.37Å; V457-L461 WeakPolarHBondContact O-CG 3.39Å; V457-L461 PolarHBondContact O-N 2.9Å; V457-F478 HydrophobicContact CG1-CD1 4.23Å; V457-F478 HydrophobicContact CG1-CE1 3.95Å; V457-F478 HydrophobicContact CG1-CZ 4.39Å; V457-Y532 HydrophobicContact CG2-CE2 3.92Å; V457-Y532 VanDerWaalsContact CG2-OH 3.3Å; V457-Y532 WeakPolarHBondContact CG2-OH 3.32Å; V457-F536 HydrophobicContact CG1-CZ 4.04Å; V457-F536 HydrophobicContact CG2-CE1 4.47Å; V457-F536 HydrophobicContact CG2-CZ 4.15Å; V457-L568 HydrophobicContact CB-CD2 4.3Å; V457-L568 HydrophobicContact CG1-CD1 4.15Å; V457-L568 HydrophobicContact CG1-CD2 4.05Å
458	W	94.6	Very high	91.1	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-36.1	-175.3	72.7	82.4	0	0	0	114.1	A456 L460 L461 L550 W554 T561 E567 I571 F731	A456-W458 HydrophobicContact CB-CD2 4.28Å; A456-W458 HydrophobicContact CB-CE3 3.92Å; A456-W458 HydrophobicContact CB-CH2 3.32Å; A456-W458 HydrophobicContact CB-CZ2 3.74Å; A456-W458 HydrophobicContact CB-CZ3 3.43Å; A456-W458 VanDerWaalsContact CB-CZ3 3.43Å; A456-W458 VanDerWaalsContact O-CZ3 3.24Å; A456-W458 WeakPolarHBondContact O-CZ3 3.5Å; A456-W458 PolarHBondContact O-N 2.97Å; W458-L460 PolarHBondContact O-N 2.63Å; W458-L461 PolarHBondContact O-N 3.3Å; W458-L550 HydrophobicContact CB-CD1 3.9Å; W458-L550 HydrophobicContact CB-CD2 4.19Å; W458-W554 AromaticContact CD1-CH2 3.75Å; W458-W554 AromaticContact CD1-CZ3 3.69Å; W458-W554 HydrophobicContact CD2-CH2 4.4Å; W458-W554 HydrophobicContact CG-CH2 4.27Å; W458-W554 HydrophobicContact CG-CZ3 4.47Å; W458-W554 AromaticContact NE1-CH2 3.59Å; W458-W554 AromaticContact NE1-CZ3 3.83Å; W458-T561 HydrophobicContact CH2-CG2 3.47Å; W458-T561 VanDerWaalsContact CH2-CG2 3.47Å; W458-T561 VanDerWaalsContact CH2-OG1 3.24Å; W458-T561 WeakPolarHBondContact CH2-OG1 3.34Å; W458-T561 HydrophobicContact CZ2-CG2 4.27Å; W458-T561 WeakPolarHBondContact CZ2-OG1 3.29Å; W458-T561 HydrophobicContact CZ3-CG2 4.31Å; W458-E567 HydrophobicContact CH2-CB 4.46Å; W458-E567 WeakPolarHBondContact CH2-OE2 3.49Å; W458-E567 HydrophobicContact CZ3-CB 3.85Å; W458-E567 WeakPolarHBondContact CZ3-OE2 3.49Å; W458-I571 HydrophobicContact CB-CD1 3.96Å; W458-I571 HydrophobicContact CD2-CD1 3.94Å; W458-I571 HydrophobicContact CE3-CD1 3.89Å; W458-I571 HydrophobicContact CG-CD1 3.95Å; W458-F731 HydrophobicContact CZ2-CB 4.29Å; W458-F731 HydrophobicContact CZ2-CD2 4.16Å
459	P	94.2	Very high	91.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-22.4	177.2	-20.6	36.2	0	0	0	112.8	V451 I452 G453 A456 V457 F731	V451-P459 HydrophobicContact CG1-CB 4.39Å; I452-P459 WeakPolarHBondContact O-CB 3.38Å; G453-P459 WeakPolarHBondContact O-CG 3.21Å; A456-P459 HydrophobicContact CB-CG 4.43Å; V457-P459 VanDerWaalsContact C-CD 3.41Å; P459-F731 HydrophobicContact CG-CB 4.46Å
460	L	94.4	Very high	91.6	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-79.4	-29.5	179.1	174.9	64.4	0	0	0	112.8	F448 V451 V457 W458 E462 S463 L464	F448-L460 HydrophobicContact CB-CD1 4.12Å; F448-L460 HydrophobicContact CD1-CD1 4.08Å; F448-L460 HydrophobicContact CD2-CD1 3.46Å; F448-L460 VanDerWaalsContact CD2-CD1 3.46Å; F448-L460 HydrophobicContact CE1-CD1 4.35Å; F448-L460 HydrophobicContact CE2-CD1 3.78Å; F448-L460 HydrophobicContact CG-CD1 3.61Å; F448-L460 HydrophobicContact CZ-CD1 4.2Å; V451-L460 HydrophobicContact CG1-CB 4.45Å; V457-L460 VanDerWaalsContact O-CB 3.29Å; V457-L460 WeakPolarHBondContact O-CB 3.36Å; V457-L460 PolarHBondContact O-N 3.2Å; W458-L460 PolarHBondContact O-N 2.63Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 2.04Å; L460-S463 PolarHBondContact O-N 3.33Å; L460-S463 VanDerWaalsContact O-N 3.09Å; L460-L464 HydrophobicContact CG-CB 4.45Å; L460-L464 WeakPolarHBondContact O-CB 3.45Å; L460-L464 PolarHBondContact O-N 3.21Å
461	L	95.1	Very high	91.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-37.4	-166.2	-63.7	-178.2	0	0	0	113.7	V457 W458 L464 D465 F478 F543 L546 V547 L550	V457-L461 HydrophobicContact CG1-CD2 4.02Å; V457-L461 HydrophobicContact CG1-CG 4.37Å; V457-L461 WeakPolarHBondContact O-CG 3.39Å; V457-L461 PolarHBondContact O-N 2.9Å; W458-L461 PolarHBondContact O-N 3.3Å; L461-L464 PolarHBondContact O-N 2.85Å; L461-D465 WeakPolarHBondContact O-CB 3.32Å; L461-D465 PolarHBondContact O-N 3Å; L461-F478 HydrophobicContact CD2-CE1 4.12Å; L461-F478 HydrophobicContact CD2-CZ 3.62Å; L461-F543 HydrophobicContact CB-CE2 4.48Å; L461-F543 HydrophobicContact CD2-CD2 4.21Å; L461-F543 HydrophobicContact CD2-CE2 3.86Å; L461-L546 HydrophobicContact CD1-CD2 3.35Å; L461-L546 HydrophobicContact CD1-CG 3.69Å; L461-V547 HydrophobicContact CB-CG2 3.87Å; L461-L550 HydrophobicContact CB-CD1 4.22Å; L461-L550 HydrophobicContact CD1-CD1 3.62Å; L461-L550 HydrophobicContact CG-CD1 4.4Å
462	E	92.3	Very high	91.8	Very high	33 Å²	33	51.9 Å²	51.9	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-66.2	-44	176.1	172.9	173.1	170.4	0	0	112.4	L460 L464 D465 K466 H734	L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 2.04Å; E462-L464 VanDerWaalsContact C-N 3.3Å; E462-D465 PolarHBondContact O-N 2.89Å; E462-K466 WeakPolarHBondContact O-CG 3.47Å; E462-K466 PolarHBondContact O-N 3.45Å; E462-K466 VanDerWaalsContact OE1-CE 3.23Å; E462-K466 WeakPolarHBondContact OE1-CE 3.09Å; E462-K466 IonicContact OE1-NZ 3.89Å; E462-K466 PolarHBondContact OE1-NZ 3.33Å; E462-H734 IonicContact OE2-CE1 3.5Å; E462-H734 PolarHBondContact OE2-CE1 3.13Å; E462-H734 IonicContact OE2-CG 3.73Å; E462-H734 IonicContact OE2-ND1 3.5Å; E462-H734 PolarHBondContact OE2-ND1 3.41Å
463	S	92.3	Very high	91.9	Very high	27 Å²	27	50 Å²	50	19%	0.189	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-36.8	178.3	-68	0	0	0	0	111.1	F448 V451 L460 K466 R467	F448-S463 WeakPolarHBondContact CE1-O 3.42Å; V451-S463 WeakPolarHBondContact CG2-OG 3.34Å; L460-S463 PolarHBondContact O-N 3.33Å; L460-S463 VanDerWaalsContact O-N 3.09Å; S463-K466 WeakPolarHBondContact O-CB 3.29Å; S463-K466 PolarHBondContact O-N 3.48Å; S463-R467 PolarHBondContact O-N 3.48Å; S463-R467 VanDerWaalsContact O-N 3.12Å
464	L	93.2	Very high	92	Very high	22 Å²	22	55 Å²	55	12%	0.115	28%	0.283	C	S	.	.	H	α-helix	trans	-64.1	-43.5	173.5	-175.4	56.1	0	0	0	111.7	F448 L460 L461 E462 K466 R467 L468 V476 F478 F543	F448-L464 HydrophobicContact CE2-CD1 4.48Å; F448-L464 HydrophobicContact CZ-CB 4.36Å; F448-L464 HydrophobicContact CZ-CD1 3.9Å; L460-L464 HydrophobicContact CG-CB 4.45Å; L460-L464 WeakPolarHBondContact O-CB 3.45Å; L460-L464 PolarHBondContact O-N 3.21Å; L461-L464 PolarHBondContact O-N 2.85Å; E462-L464 VanDerWaalsContact C-N 3.3Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.35Å; L464-R467 PolarHBondContact O-N 2.97Å; L464-R467 VanDerWaalsContact O-N 3.08Å; L464-L468 HydrophobicContact CD1-CD1 4.01Å; L464-L468 HydrophobicContact CD1-CG 4.06Å; L464-L468 HydrophobicContact CG-CD1 3.9Å; L464-L468 HydrophobicContact CG-CG 4.34Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.45Å; L464-L468 PolarHBondContact O-N 3.27Å; L464-V476 HydrophobicContact CD2-CG1 3.88Å; L464-F478 HydrophobicContact CD2-CE1 4.07Å; L464-F478 HydrophobicContact CD2-CZ 3.87Å; L464-F543 HydrophobicContact CB-CE2 4.41Å; L464-F543 HydrophobicContact CB-CZ 4.22Å; L464-F543 HydrophobicContact CD2-CE2 3.88Å; L464-F543 HydrophobicContact CD2-CZ 4.28Å; L464-F543 HydrophobicContact CG-CE2 4.11Å; L464-F543 HydrophobicContact CG-CZ 3.99Å
465	D	93.6	Very high	92.2	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-43.2	174.7	172.4	53.5	0	0	0	111.3	L461 E462 R467 L468 K469 F543 V547 K551	L461-D465 WeakPolarHBondContact O-CB 3.32Å; L461-D465 PolarHBondContact O-N 3Å; E462-D465 PolarHBondContact O-N 2.89Å; D465-R467 VanDerWaalsContact C-N 3.3Å; D465-R467 PolarHBondContact O-N 2.84Å; D465-L468 PolarHBondContact O-N 2.97Å; D465-K469 PolarHBondContact O-N 2.71Å; D465-F543 HydrophobicContact CB-CE1 4.02Å; D465-F543 HydrophobicContact CB-CZ 3.93Å; D465-V547 HydrophobicContact CB-CG1 3.85Å; D465-V547 HydrophobicContact CB-CG2 4.09Å; D465-K551 IonicContact OD2-NZ 3.88Å; D465-K551 PolarHBondContact OD2-NZ 3.02Å
466	K	91	Very high	92.3	Very high	107 Å²	107	53.3 Å²	53.3	47%	0.465	27%	0.27	S	S	.	.	H	α-helix	trans	-59.6	-38.2	174.6	-71.1	170.3	-172.8	163	0	112.5	E462 S463 L464 K469	E462-K466 WeakPolarHBondContact O-CG 3.47Å; E462-K466 PolarHBondContact O-N 3.45Å; E462-K466 VanDerWaalsContact OE1-CE 3.23Å; E462-K466 WeakPolarHBondContact OE1-CE 3.09Å; E462-K466 IonicContact OE1-NZ 3.89Å; E462-K466 PolarHBondContact OE1-NZ 3.33Å; S463-K466 WeakPolarHBondContact O-CB 3.29Å; S463-K466 PolarHBondContact O-N 3.48Å; L464-K466 VanDerWaalsContact C-N 3.32Å; L464-K466 PolarHBondContact O-N 3.35Å; K466-K469 WeakPolarHBondContact O-CB 3.07Å
467	R	87.5	Confident	92.4	Very high	113 Å²	113	55.3 Å²	55.3	43%	0.426	28%	0.279	S	S	.	.	H	α-helix	trans	-74.8	-33.3	178	-174.6	177.7	-177.1	134.7	-11.4	113	D447 F448 S463 L464 D465	D447-R467 VanDerWaalsContact CG-NH1 3.35Å; D447-R467 IonicContact OD1-CZ 3.03Å; D447-R467 IonicContact OD1-NH1 2.8Å; D447-R467 PolarHBondContact OD1-NH1 3.3Å; D447-R467 IonicContact OD1-NH2 2.76Å; D447-R467 PolarHBondContact OD1-NH2 3.49Å; D447-R467 IonicContact OD2-NH1 2.71Å; D447-R467 IonicContact OD2-NH2 3.96Å; F448-R467 HydrophobicContact CE1-CB 4.2Å; F448-R467 HydrophobicContact CZ-CB 4.28Å; S463-R467 PolarHBondContact O-N 3.48Å; S463-R467 VanDerWaalsContact O-N 3.12Å; L464-R467 PolarHBondContact O-N 2.97Å; L464-R467 VanDerWaalsContact O-N 3.08Å; D465-R467 VanDerWaalsContact C-N 3.3Å; D465-R467 PolarHBondContact O-N 2.84Å
468	L	90.6	Very high	92.5	Very high	28 Å²	28	56 Å²	56	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-84.5	-11.5	178.7	-67.3	179.6	0	0	0	113	L464 D465 G470 K471 F473 V476 F543	L464-L468 HydrophobicContact CD1-CD1 4.01Å; L464-L468 HydrophobicContact CD1-CG 4.06Å; L464-L468 HydrophobicContact CG-CD1 3.9Å; L464-L468 HydrophobicContact CG-CG 4.34Å; L464-L468 WeakPolarHBondContact O-CB 3.36Å; L464-L468 WeakPolarHBondContact O-CG 3.45Å; L464-L468 PolarHBondContact O-N 3.27Å; D465-L468 PolarHBondContact O-N 2.97Å; L468-G470 PolarHBondContact O-N 3.13Å; L468-K471 HydrophobicContact CD2-CD 4.43Å; L468-K471 WeakPolarHBondContact O-CB 3.42Å; L468-K471 PolarHBondContact O-N 3.47Å; L468-F473 HydrophobicContact CB-CD1 3.98Å; L468-F473 HydrophobicContact CB-CE1 3.65Å; L468-F473 HydrophobicContact CB-CZ 4.39Å; L468-F473 HydrophobicContact CD1-CD1 4.14Å; L468-F473 HydrophobicContact CD1-CD2 4.47Å; L468-F473 HydrophobicContact CD1-CE1 3.86Å; L468-F473 HydrophobicContact CD1-CE2 4.21Å; L468-F473 HydrophobicContact CD1-CG 4.44Å; L468-F473 HydrophobicContact CD1-CZ 3.89Å; L468-F473 HydrophobicContact CD2-CD1 4.26Å; L468-F473 HydrophobicContact CG-CD1 4.36Å; L468-F473 HydrophobicContact CG-CE1 4.26Å; L468-V476 HydrophobicContact CD1-CG2 3.83Å; L468-F543 HydrophobicContact CD1-CE1 4.09Å; L468-F543 HydrophobicContact CD1-CZ 4.14Å
469	K	87.5	Confident	92.4	Very high	158 Å²	158	59.9 Å²	59.9	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	122.9	178.5	-167.7	171.6	-175.7	173.2	0	111.4	D465 K466 K471	D465-K469 PolarHBondContact O-N 2.71Å; K466-K469 WeakPolarHBondContact O-CB 3.07Å; K469-K471 VanDerWaalsContact C-N 3.3Å
470	G	87	Confident	92.2	Very high	87 Å²	87	62.8 Å²	62.8	90%	0.897	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-8.2	-177.3	0	0	0	0	0	114.7	L468	L468-G470 PolarHBondContact O-N 3.13Å
471	K	88.1	Confident	91.6	Very high	116 Å²	116	68 Å²	68	50%	0.504	35%	0.352	S	S	.	.			trans	-86.6	140.5	173.6	-59.2	-170.7	178.1	-173.3	0	110.9	L468 K469 F473 R540	L468-K471 HydrophobicContact CD2-CD 4.43Å; L468-K471 WeakPolarHBondContact O-CB 3.42Å; L468-K471 PolarHBondContact O-N 3.47Å; K469-K471 VanDerWaalsContact C-N 3.3Å; K471-F473 PolarHBondContact O-N 3.3Å; K471-R540 PolarHBondContact O-NH1 3.38Å
472	N	88.8	Confident	91	Very high	160 Å²	160	71.3 Å²	71.3	86%	0.856	37%	0.372	S	S	*	.			trans	-89.7	75.2	175.3	-168.6	25.4	0	0	0	110.6
473	F	92.6	Very high	90.8	Very high	28 Å²	28	70.4 Å²	70.4	12%	0.123	37%	0.368	C	S	.	.			trans	-97.4	148.9	172.4	73.5	-83.7	0	0	0	110.9	L468 K471 V476 R540 F543	L468-F473 HydrophobicContact CB-CD1 3.98Å; L468-F473 HydrophobicContact CB-CE1 3.65Å; L468-F473 HydrophobicContact CB-CZ 4.39Å; L468-F473 HydrophobicContact CD1-CD1 4.14Å; L468-F473 HydrophobicContact CD1-CD2 4.47Å; L468-F473 HydrophobicContact CD1-CE1 3.86Å; L468-F473 HydrophobicContact CD1-CE2 4.21Å; L468-F473 HydrophobicContact CD1-CG 4.44Å; L468-F473 HydrophobicContact CD1-CZ 3.89Å; L468-F473 HydrophobicContact CD2-CD1 4.26Å; L468-F473 HydrophobicContact CG-CD1 4.36Å; L468-F473 HydrophobicContact CG-CE1 4.26Å; K471-F473 PolarHBondContact O-N 3.3Å; F473-V476 HydrophobicContact CD2-CG2 3.8Å; F473-V476 HydrophobicContact CE2-CG2 3.53Å; F473-V476 HydrophobicContact CZ-CG2 4.38Å; F473-R540 HydrophobicContact CE2-CB 4.18Å; F473-R540 HydrophobicContact CE2-CG 4.05Å; F473-R540 HydrophobicContact CZ-CG 4.11Å; F473-R540 WeakPolarHBondContact O-CD 3.32Å; F473-R540 PolarHBondContact O-NH1 3.49Å; F473-F543 HydrophobicContact CE2-CD1 4.15Å; F473-F543 AromaticContact CZ-CD1 3.77Å; F473-F543 HydrophobicContact CZ-CD1 3.77Å; F473-F543 HydrophobicContact CZ-CE1 4.09Å
474	K	95	Very high	90.5	Very high	111 Å²	111	76.1 Å²	76.1	48%	0.483	39%	0.386	S	S	.	.	S	Bend	trans	-99.7	-35.5	174.8	-67	-171.7	172.5	-134.6	0	113.1	E499 R540	K474-E499 HydrophobicContact CB-CB 4.02Å; K474-E499 HydrophobicContact CB-CG 4.41Å; K474-E499 HydrophobicContact CD-CG 4.39Å; K474-E499 WeakPolarHBondContact CE-OE1 3.44Å; K474-E499 HydrophobicContact CG-CB 4.37Å; K474-E499 HydrophobicContact CG-CG 4.21Å; K474-E499 VanDerWaalsContact NZ-CD 3.25Å; K474-E499 IonicContact NZ-OE1 3.11Å; K474-E499 PolarHBondContact NZ-OE1 3.01Å; K474-E499 IonicContact NZ-OE2 3.34Å; K474-E499 PolarHBondContact NZ-OE2 2.8Å; K474-E499 VanDerWaalsContact NZ-OE2 3.09Å; K474-R540 WeakPolarHBondContact O-CB 3.41Å; K474-R540 PolarHBondContact O-N 3.46Å
475	W	96.4	Very high	90.4	Very high	40 Å²	40	77.9 Å²	77.9	15%	0.152	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149.8	-174.7	-68.6	90.8	0	0	0	110.3	L494 Y497 H503 L505 A537 L538 S539	W475-L494 HydrophobicContact CB-CD1 3.99Å; W475-L494 HydrophobicContact CD2-CB 4.39Å; W475-L494 HydrophobicContact CD2-CD1 4.23Å; W475-L494 HydrophobicContact CD2-CD2 3.72Å; W475-L494 HydrophobicContact CD2-CG 4.32Å; W475-L494 HydrophobicContact CE3-CD2 3.67Å; W475-L494 HydrophobicContact CG-CB 4.42Å; W475-L494 HydrophobicContact CG-CD1 3.85Å; W475-L494 HydrophobicContact CG-CD2 4.25Å; W475-L494 HydrophobicContact CG-CG 4.4Å; W475-L494 HydrophobicContact CH2-CD2 4.28Å; W475-L494 HydrophobicContact CZ2-CD2 4.34Å; W475-L494 HydrophobicContact CZ3-CD2 3.96Å; W475-Y497 HydrophobicContact CH2-CG 4.46Å; W475-H503 HydrophobicContact CH2-CB 3.64Å; W475-H503 HydrophobicContact CZ3-CB 4Å; W475-L505 HydrophobicContact CH2-CD1 3.75Å; W475-L505 HydrophobicContact CH2-CG 4.3Å; W475-L505 HydrophobicContact CZ3-CD1 3.76Å; W475-L505 HydrophobicContact CZ3-CG 4.08Å; W475-A537 HydrophobicContact CE3-CB 3.93Å; W475-A537 HydrophobicContact CZ3-CB 4.24Å; W475-L538 WeakPolarHBondContact CA-O 3.46Å; W475-L538 VanDerWaalsContact CE3-C 3.46Å; W475-S539 VanDerWaalsContact CE3-CA 3.46Å; W475-S539 VanDerWaalsContact CE3-N 3.32Å; W475-S539 VanDerWaalsContact CZ3-N 3.34Å
476	V	95.8	Very high	90.4	Very high	16 Å²	16	79.1 Å²	79.1	10%	0.097	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.5	165.8	-174.7	0	0	0	0	107.1	L464 L468 F473 F478 A537 L538 F543	L464-V476 HydrophobicContact CD2-CG1 3.88Å; L468-V476 HydrophobicContact CD1-CG2 3.83Å; F473-V476 HydrophobicContact CD2-CG2 3.8Å; F473-V476 HydrophobicContact CE2-CG2 3.53Å; F473-V476 HydrophobicContact CZ-CG2 4.38Å; V476-F478 HydrophobicContact CB-CE2 4.05Å; V476-F478 HydrophobicContact CG1-CD2 4.12Å; V476-F478 HydrophobicContact CG1-CE1 4.46Å; V476-F478 HydrophobicContact CG1-CE2 3.42Å; V476-F478 VanDerWaalsContact CG1-CE2 3.42Å; V476-F478 HydrophobicContact CG1-CZ 3.63Å; V476-A537 WeakPolarHBondContact O-CA 3.31Å; V476-L538 PolarHBondContact N-O 3.22Å; V476-L538 PolarHBondContact O-N 3.18Å; V476-F543 HydrophobicContact CG2-CB 4.44Å; V476-F543 HydrophobicContact CG2-CD1 4.44Å; V476-F543 HydrophobicContact CG2-CD2 4.16Å; V476-F543 HydrophobicContact CG2-CG 4.08Å
477	F	96.3	Very high	90.4	Very high	42 Å²	42	78.3 Å²	78.3	18%	0.184	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.8	179.4	-163.6	-92.7	0	0	0	109.8	L479 I485 L490 A537 F585 T596	F477-L479 HydrophobicContact CD1-CB 4.28Å; F477-L479 HydrophobicContact CD1-CD2 3.88Å; F477-L479 HydrophobicContact CE1-CB 4.09Å; F477-L479 HydrophobicContact CE1-CD2 4.25Å; F477-I485 HydrophobicContact CD1-CD1 3.75Å; F477-I485 HydrophobicContact CE1-CD1 3.43Å; F477-I485 VanDerWaalsContact CE1-CD1 3.43Å; F477-I485 HydrophobicContact CG-CD1 4.49Å; F477-I485 HydrophobicContact CZ-CD1 3.95Å; F477-L490 HydrophobicContact CB-CD2 4.46Å; F477-L490 HydrophobicContact CD1-CD2 4.48Å; F477-L490 HydrophobicContact CD2-CD1 3.68Å; F477-L490 HydrophobicContact CD2-CD2 3.95Å; F477-L490 HydrophobicContact CD2-CG 4.47Å; F477-L490 HydrophobicContact CE2-CD1 3.46Å; F477-L490 VanDerWaalsContact CE2-CD1 3.46Å; F477-L490 HydrophobicContact CE2-CD2 4.34Å; F477-L490 HydrophobicContact CG-CD2 4.04Å; F477-L490 HydrophobicContact CZ-CD1 4.18Å; F477-A537 HydrophobicContact CD2-CB 3.67Å; F477-A537 HydrophobicContact CE2-CB 4.13Å; F477-F585 HydrophobicContact CE2-CD2 4.36Å; F477-F585 HydrophobicContact CE2-CE1 4.26Å; F477-F585 AromaticContact CE2-CE2 3.64Å; F477-F585 HydrophobicContact CE2-CE2 3.64Å; F477-F585 AromaticContact CE2-CZ 3.6Å; F477-F585 HydrophobicContact CE2-CZ 3.6Å; F477-F585 HydrophobicContact CZ-CE2 4.23Å; F477-F585 HydrophobicContact CZ-CZ 4.36Å; F477-T596 HydrophobicContact CE1-CG2 4.19Å; F477-T596 HydrophobicContact CZ-CG2 3.85Å
478	F	96.2	Very high	90.7	Very high	25 Å²	25	80.1 Å²	80.1	11%	0.11	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.7	-179.9	-64.2	-97.9	0	0	0	109.3	V457 L461 L464 V476 G535 F536 L538	V457-F478 HydrophobicContact CG1-CD1 4.23Å; V457-F478 HydrophobicContact CG1-CE1 3.95Å; V457-F478 HydrophobicContact CG1-CZ 4.39Å; L461-F478 HydrophobicContact CD2-CE1 4.12Å; L461-F478 HydrophobicContact CD2-CZ 3.62Å; L464-F478 HydrophobicContact CD2-CE1 4.07Å; L464-F478 HydrophobicContact CD2-CZ 3.87Å; V476-F478 HydrophobicContact CB-CE2 4.05Å; V476-F478 HydrophobicContact CG1-CD2 4.12Å; V476-F478 HydrophobicContact CG1-CE1 4.46Å; V476-F478 HydrophobicContact CG1-CE2 3.42Å; V476-F478 VanDerWaalsContact CG1-CE2 3.42Å; V476-F478 HydrophobicContact CG1-CZ 3.63Å; F478-G535 CarbonylContact O-C 3.57Å; F478-G535 WeakPolarHBondContact O-CA 3.5Å; F478-F536 HydrophobicContact CB-CD1 3.94Å; F478-F536 HydrophobicContact CB-CD2 4.21Å; F478-F536 HydrophobicContact CB-CE1 3.46Å; F478-F536 VanDerWaalsContact CB-CE1 3.46Å; F478-F536 HydrophobicContact CB-CE2 3.77Å; F478-F536 HydrophobicContact CB-CG 4.28Å; F478-F536 HydrophobicContact CB-CZ 3.36Å; F478-F536 HydrophobicContact CD1-CE2 4.45Å; F478-F536 HydrophobicContact CD1-CZ 4.02Å; F478-F536 AromaticContact CD2-CD2 3.84Å; F478-F536 HydrophobicContact CD2-CD2 3.84Å; F478-F536 HydrophobicContact CD2-CE1 4.47Å; F478-F536 AromaticContact CD2-CE2 3.2Å; F478-F536 HydrophobicContact CD2-CE2 3.2Å; F478-F536 AromaticContact CD2-CZ 3.58Å; F478-F536 HydrophobicContact CD2-CZ 3.58Å; F478-F536 AromaticContact CE2-CE2 3.84Å; F478-F536 HydrophobicContact CE2-CE2 3.84Å; F478-F536 HydrophobicContact CE2-CZ 4.34Å; F478-F536 HydrophobicContact CG-CD2 4.33Å; F478-F536 HydrophobicContact CG-CE1 4.04Å; F478-F536 AromaticContact CG-CE2 3.57Å; F478-F536 HydrophobicContact CG-CE2 3.57Å; F478-F536 AromaticContact CG-CZ 3.38Å; F478-F536 HydrophobicContact CG-CZ 3.38Å; F478-F536 PolarHBondContact N-O 3.44Å; F478-F536 PolarHBondContact O-N 2.9Å; F478-L538 HydrophobicContact CE2-CD1 3.86Å; F478-L538 HydrophobicContact CE2-CG 4.22Å
479	L	92.6	Very high	90.8	Very high	88 Å²	88	83.3 Å²	83.3	46%	0.461	43%	0.426	S	S	.	.			trans	-145.3	150.7	-176.2	64.6	101.5	0	0	0	111.3	F477	F477-L479 HydrophobicContact CD1-CB 4.28Å; F477-L479 HydrophobicContact CD1-CD2 3.88Å; F477-L479 HydrophobicContact CE1-CB 4.09Å; F477-L479 HydrophobicContact CE1-CD2 4.25Å
480	Q	89.2	Confident	91.2	Very high	60 Å²	60	76.7 Å²	76.7	28%	0.28	40%	0.398	S	S	.	.			trans	-81.4	154.5	173.3	-70.6	-178.9	-14.3	0	0	111	T482 T483	Q480-T482 PolarHBondContact O-N 2.8Å; Q480-T483 WeakPolarHBondContact O-CB 3.34Å; Q480-T483 PolarHBondContact O-N 3.3Å; Q480-T483 PolarHBondContact O-OG1 3.47Å
481	P	83.3	Confident	91.5	Very high	138 Å²	138	78.8 Å²	78.8	90%	0.896	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.1	178.2	-26	35	0	0	0	115
482	T	81.3	Confident	91.8	Very high	69 Å²	69	77.1 Å²	77.1	42%	0.423	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-4.7	179.3	53.6	0	0	0	0	113.9	Q480 H598 Y599	Q480-T482 PolarHBondContact O-N 2.8Å; T482-H598 PolarHBondContact OG1-CE1 2.85Å; T482-H598 PolarHBondContact OG1-ND1 3.22Å; T482-Y599 PolarHBondContact O-N 3.39Å
483	T	87.8	Confident	92.1	Very high	13 Å²	13	71 Å²	71	8%	0.08	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.4	-178.9	-52	0	0	0	0	110.3	Q480 R533 T596	Q480-T483 WeakPolarHBondContact O-CB 3.34Å; Q480-T483 PolarHBondContact O-N 3.3Å; Q480-T483 PolarHBondContact O-OG1 3.47Å; T483-R533 VanDerWaalsContact CG2-O 3.25Å; T483-R533 WeakPolarHBondContact CG2-O 3.31Å; T483-R533 PolarHBondContact OG1-O 2.59Å; T483-T596 HydrophobicContact CG2-CG2 4.19Å
484	R	87.5	Confident	92.3	Very high	147 Å²	147	70.4 Å²	70.4	56%	0.555	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	145.1	168.4	-65.8	-174.9	179.5	-175.3	-0.4	109.9	T596 Q597	R484-T596 CarbonylContact O-C 3.6Å; R484-T596 VanDerWaalsContact O-CA 3.28Å; R484-T596 WeakPolarHBondContact O-CA 3.44Å; R484-Q597 PolarHBondContact N-O 3.33Å; R484-Q597 PolarHBondContact O-N 2.93Å
485	I	90.5	Very high	92.3	Very high	59 Å²	59	71.7 Å²	71.7	30%	0.303	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.7	-177.6	-169.4	164.5	0	0	0	111.8	F477 V487 L490 V595 T596	F477-I485 HydrophobicContact CD1-CD1 3.75Å; F477-I485 HydrophobicContact CE1-CD1 3.43Å; F477-I485 VanDerWaalsContact CE1-CD1 3.43Å; F477-I485 HydrophobicContact CG-CD1 4.49Å; F477-I485 HydrophobicContact CZ-CD1 3.95Å; I485-V487 HydrophobicContact CG2-CG2 4.25Å; I485-L490 HydrophobicContact CD1-CB 4.37Å; I485-L490 HydrophobicContact CD1-CD2 3.58Å; I485-L490 HydrophobicContact CD1-CG 4.36Å; I485-V595 WeakPolarHBondContact CA-O 2.92Å; I485-V595 HydrophobicContact CG1-CG1 4.34Å; I485-T596 HydrophobicContact CB-CG2 4.4Å; I485-T596 HydrophobicContact CD1-CG2 4.21Å; I485-T596 HydrophobicContact CG1-CG2 4.06Å
486	D	92.5	Very high	92.2	Very high	57 Å²	57	74.7 Å²	74.7	31%	0.305	37%	0.373	S	S	.	.			trans	-88.9	100.1	164	-174.5	-28.8	0	0	0	108.7	K488 R489 L490 V595	D486-K488 PolarHBondContact O-N 3.23Å; D486-K488 WeakPolarHBondContact OD1-CB 3.3Å; D486-K488 PolarHBondContact OD1-N 3.43Å; D486-R489 HydrophobicContact CB-CB 4.18Å; D486-R489 HydrophobicContact CB-CG 4.27Å; D486-R489 PolarHBondContact O-N 3.27Å; D486-R489 PolarHBondContact OD1-N 2.86Å; D486-R489 VanDerWaalsContact OD1-N 3.13Å; D486-R489 WeakPolarHBondContact OD2-CD 3.28Å; D486-R489 WeakPolarHBondContact OD2-CG 3.1Å; D486-R489 IonicContact OD2-CZ 3.9Å; D486-R489 IonicContact OD2-NE 3.09Å; D486-R489 PolarHBondContact OD2-NE 3.34Å; D486-L490 WeakPolarHBondContact O-CB 3.5Å; D486-L490 PolarHBondContact O-N 3.34Å; D486-V595 PolarHBondContact N-O 2.87Å
487	V	92.7	Very high	92.2	Very high	90 Å²	90	77 Å²	77	55%	0.545	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-31.4	-177.3	-177.5	0	0	0	0	112.2	I485 R491	I485-V487 HydrophobicContact CG2-CG2 4.25Å; V487-R491 WeakPolarHBondContact O-CB 3.34Å; V487-R491 PolarHBondContact O-N 2.91Å; V487-R491 VanDerWaalsContact O-N 3.09Å
488	K	93.3	Very high	92	Very high	150 Å²	150	78.6 Å²	78.6	65%	0.652	39%	0.391	S	S	*	.	H	α-helix	trans	-68.8	-48.9	179.5	-67.5	178.6	-178.7	174	0	110	D486 R491 D492	D486-K488 PolarHBondContact O-N 3.23Å; D486-K488 WeakPolarHBondContact OD1-CB 3.3Å; D486-K488 PolarHBondContact OD1-N 3.43Å; K488-R491 WeakPolarHBondContact O-CB 3.44Å; K488-R491 PolarHBondContact O-N 2.87Å; K488-D492 PolarHBondContact O-N 3.42Å; K488-D492 VanDerWaalsContact O-N 3.1Å
489	R	92.5	Very high	91.6	Very high	96 Å²	96	79.7 Å²	79.7	36%	0.362	40%	0.396	S	S	.	.	H	α-helix	trans	-66.7	-37.5	177.3	-65.6	177.9	-171.9	176.6	-5.4	112.3	D486 R491 D492 V493 P592 C594 V595	D486-R489 HydrophobicContact CB-CB 4.18Å; D486-R489 HydrophobicContact CB-CG 4.27Å; D486-R489 PolarHBondContact O-N 3.27Å; D486-R489 PolarHBondContact OD1-N 2.86Å; D486-R489 VanDerWaalsContact OD1-N 3.13Å; D486-R489 WeakPolarHBondContact OD2-CD 3.28Å; D486-R489 WeakPolarHBondContact OD2-CG 3.1Å; D486-R489 IonicContact OD2-CZ 3.9Å; D486-R489 IonicContact OD2-NE 3.09Å; D486-R489 PolarHBondContact OD2-NE 3.34Å; R489-R491 VanDerWaalsContact C-N 3.27Å; R489-R491 PolarHBondContact O-N 3.02Å; R489-D492 PolarHBondContact O-N 3.07Å; R489-D492 VanDerWaalsContact O-N 3.16Å; R489-V493 WeakPolarHBondContact O-CG2 3.17Å; R489-V493 PolarHBondContact O-N 2.92Å; R489-P592 PolarHBondContact NH1-O 3.19Å; R489-P592 PolarHBondContact NH2-O 3.32Å; R489-C594 PolarHBondContact NH1-O 3.34Å; R489-V595 HydrophobicContact CB-CG2 3.92Å
490	L	95.4	Very high	91.6	Very high	18 Å²	18	80.9 Å²	80.9	9%	0.094	40%	0.403	C	S	.	.	H	α-helix	trans	-55.1	-48.9	173.7	176.6	65.8	0	0	0	110	F477 I485 D486 D492 V493 L494 F585 V595	F477-L490 HydrophobicContact CB-CD2 4.46Å; F477-L490 HydrophobicContact CD1-CD2 4.48Å; F477-L490 HydrophobicContact CD2-CD1 3.68Å; F477-L490 HydrophobicContact CD2-CD2 3.95Å; F477-L490 HydrophobicContact CD2-CG 4.47Å; F477-L490 HydrophobicContact CE2-CD1 3.46Å; F477-L490 VanDerWaalsContact CE2-CD1 3.46Å; F477-L490 HydrophobicContact CE2-CD2 4.34Å; F477-L490 HydrophobicContact CG-CD2 4.04Å; F477-L490 HydrophobicContact CZ-CD1 4.18Å; I485-L490 HydrophobicContact CD1-CB 4.37Å; I485-L490 HydrophobicContact CD1-CD2 3.58Å; I485-L490 HydrophobicContact CD1-CG 4.36Å; D486-L490 WeakPolarHBondContact O-CB 3.5Å; D486-L490 PolarHBondContact O-N 3.34Å; L490-D492 VanDerWaalsContact C-N 3.31Å; L490-D492 PolarHBondContact O-N 3.03Å; L490-V493 PolarHBondContact O-N 2.9Å; L490-L494 HydrophobicContact CD1-CD1 3.83Å; L490-L494 HydrophobicContact CD1-CD2 4.42Å; L490-L494 HydrophobicContact CD1-CG 3.9Å; L490-L494 HydrophobicContact CD2-CD1 4.13Å; L490-L494 HydrophobicContact CG-CD1 3.74Å; L490-L494 HydrophobicContact CG-CG 4.16Å; L490-L494 WeakPolarHBondContact O-CB 3.41Å; L490-L494 VanDerWaalsContact O-CG 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.42Å; L490-L494 PolarHBondContact O-N 3.06Å; L490-F585 HydrophobicContact CD1-CE1 3.98Å; L490-F585 HydrophobicContact CD1-CZ 4.05Å; L490-V595 HydrophobicContact CB-CG1 3.53Å; L490-V595 HydrophobicContact CD1-CG1 3.87Å; L490-V595 HydrophobicContact CG-CG1 4.3Å
491	R	94.6	Very high	91.9	Very high	131 Å²	131	82.3 Å²	82.3	49%	0.494	41%	0.412	S	S	.	.	H	α-helix	trans	-59.8	-43.5	178.4	-179.9	-169.1	63.6	-161.8	-5.9	111.5	V487 K488 R489 V493 L494 Q495	V487-R491 WeakPolarHBondContact O-CB 3.34Å; V487-R491 PolarHBondContact O-N 2.91Å; V487-R491 VanDerWaalsContact O-N 3.09Å; K488-R491 WeakPolarHBondContact O-CB 3.44Å; K488-R491 PolarHBondContact O-N 2.87Å; R489-R491 VanDerWaalsContact C-N 3.27Å; R489-R491 PolarHBondContact O-N 3.02Å; R491-V493 VanDerWaalsContact C-N 3.3Å; R491-V493 PolarHBondContact O-N 3.37Å; R491-L494 PolarHBondContact O-N 3.14Å; R491-Q495 HydrophobicContact CG-CG 4.31Å; R491-Q495 WeakPolarHBondContact O-CB 3.41Å; R491-Q495 VanDerWaalsContact O-CG 3.24Å; R491-Q495 WeakPolarHBondContact O-CG 3.01Å; R491-Q495 PolarHBondContact O-N 3.08Å
492	D	94.4	Very high	92.6	Very high	82 Å²	82	78 Å²	78	44%	0.439	39%	0.388	S	S	.	.	H	α-helix	trans	-63.3	-37.5	-179.1	-59.2	-16.2	0	0	0	111.4	K488 R489 L490	K488-D492 PolarHBondContact O-N 3.42Å; K488-D492 VanDerWaalsContact O-N 3.1Å; R489-D492 PolarHBondContact O-N 3.07Å; R489-D492 VanDerWaalsContact O-N 3.16Å; L490-D492 VanDerWaalsContact C-N 3.31Å; L490-D492 PolarHBondContact O-N 3.03Å
493	V	94.7	Very high	93.4	Very high	30 Å²	30	76.4 Å²	76.4	18%	0.182	38%	0.376	C	S	.	.	H	α-helix	trans	-70.2	-46.5	173.4	173.7	0	0	0	0	111.7	R489 L490 R491 Q495 T496 Y497 T582 F585 V595	R489-V493 WeakPolarHBondContact O-CG2 3.17Å; R489-V493 PolarHBondContact O-N 2.92Å; L490-V493 PolarHBondContact O-N 2.9Å; R491-V493 VanDerWaalsContact C-N 3.3Å; R491-V493 PolarHBondContact O-N 3.37Å; V493-Q495 VanDerWaalsContact C-N 3.26Å; V493-Q495 PolarHBondContact O-N 2.95Å; V493-T496 PolarHBondContact O-N 2.95Å; V493-T496 PolarHBondContact O-OG1 3.09Å; V493-Y497 WeakPolarHBondContact O-CD2 3.33Å; V493-T582 HydrophobicContact CG1-CG2 4.06Å; V493-F585 HydrophobicContact CG1-CE1 4.37Å; V493-V595 HydrophobicContact CG2-CG2 3.82Å
494	L	96	Very high	93.9	Very high	17 Å²	17	76 Å²	76	9%	0.089	37%	0.373	C	S	.	.	H	α-helix	trans	-67.3	-26	-177.6	-68.7	179.3	0	0	0	113	W475 L490 R491 T496 Y497 L505 A537	W475-L494 HydrophobicContact CB-CD1 3.99Å; W475-L494 HydrophobicContact CD2-CB 4.39Å; W475-L494 HydrophobicContact CD2-CD1 4.23Å; W475-L494 HydrophobicContact CD2-CD2 3.72Å; W475-L494 HydrophobicContact CD2-CG 4.32Å; W475-L494 HydrophobicContact CE3-CD2 3.67Å; W475-L494 HydrophobicContact CG-CB 4.42Å; W475-L494 HydrophobicContact CG-CD1 3.85Å; W475-L494 HydrophobicContact CG-CD2 4.25Å; W475-L494 HydrophobicContact CG-CG 4.4Å; W475-L494 HydrophobicContact CH2-CD2 4.28Å; W475-L494 HydrophobicContact CZ2-CD2 4.34Å; W475-L494 HydrophobicContact CZ3-CD2 3.96Å; L490-L494 HydrophobicContact CD1-CD1 3.83Å; L490-L494 HydrophobicContact CD1-CD2 4.42Å; L490-L494 HydrophobicContact CD1-CG 3.9Å; L490-L494 HydrophobicContact CD2-CD1 4.13Å; L490-L494 HydrophobicContact CG-CD1 3.74Å; L490-L494 HydrophobicContact CG-CG 4.16Å; L490-L494 WeakPolarHBondContact O-CB 3.41Å; L490-L494 VanDerWaalsContact O-CG 3.3Å; L490-L494 WeakPolarHBondContact O-CG 3.42Å; L490-L494 PolarHBondContact O-N 3.06Å; R491-L494 PolarHBondContact O-N 3.14Å; L494-T496 PolarHBondContact O-N 2.83Å; L494-Y497 PolarHBondContact O-N 2.03Å; L494-L505 HydrophobicContact CD2-CD1 3.88Å; L494-A537 HydrophobicContact CD2-CB 3.87Å
495	Q	94.6	Very high	94.4	Very high	138 Å²	138	69 Å²	69	65%	0.645	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-15.3	177.6	-80	177.5	-5.1	0	0	114	R491 V493 Y497	R491-Q495 HydrophobicContact CG-CG 4.31Å; R491-Q495 WeakPolarHBondContact O-CB 3.41Å; R491-Q495 VanDerWaalsContact O-CG 3.24Å; R491-Q495 WeakPolarHBondContact O-CG 3.01Å; R491-Q495 PolarHBondContact O-N 3.08Å; V493-Q495 VanDerWaalsContact C-N 3.26Å; V493-Q495 PolarHBondContact O-N 2.95Å; Q495-Y497 PolarHBondContact O-N 2.83Å
496	T	94.8	Very high	94.7	Very high	103 Å²	103	66.1 Å²	66.1	63%	0.632	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.6	177.5	66	0	0	0	0	113.3	V493 L494	V493-T496 PolarHBondContact O-N 2.95Å; V493-T496 PolarHBondContact O-OG1 3.09Å; L494-T496 PolarHBondContact O-N 2.83Å
497	Y	95.4	Very high	94.8	Very high	65 Å²	65	64.5 Å²	64.5	26%	0.255	32%	0.323	S	S	.	.	S	Bend	trans	-116.3	146.5	-177.6	-63.7	-89.4	0	0	0	110.5	W475 V493 L494 Q495 H503 L505	W475-Y497 HydrophobicContact CH2-CG 4.46Å; V493-Y497 WeakPolarHBondContact O-CD2 3.33Å; L494-Y497 PolarHBondContact O-N 2.03Å; Q495-Y497 PolarHBondContact O-N 2.83Å; Y497-H503 AromaticContact CD1-CE1 3.93Å; Y497-L505 HydrophobicContact CD1-CD2 4.34Å; Y497-L505 HydrophobicContact CD2-CD1 3.8Å; Y497-L505 HydrophobicContact CE1-CD2 3.95Å; Y497-L505 HydrophobicContact CE2-CD1 3.82Å; Y497-L505 HydrophobicContact CE2-CD2 4.36Å; Y497-L505 HydrophobicContact CG-CD1 4.25Å
498	D	93.4	Very high	95	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	30%	0.304	S	S	.	.			trans	-79.7	122.5	176.2	-169.8	-23.6	0	0	0	110	N500 D501 H503	D498-N500 PolarHBondContact O-N 2.8Å; D498-N500 VanDerWaalsContact O-N 3.16Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 3.06Å; D498-N500 PolarHBondContact OD1-ND2 3.23Å; D498-D501 HydrophobicContact CB-CB 4.42Å; D498-D501 PolarHBondContact O-N 2.78Å; D498-H503 PolarHBondContact O-CD2 2.82Å; D498-H503 PolarHBondContact O-NE2 3.37Å
499	E	86.9	Confident	95	Very high	47 Å²	47	54.1 Å²	54.1	22%	0.22	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19	178.7	65.1	-99.5	-154.9	0	0	114.9	K474 A541	K474-E499 HydrophobicContact CB-CB 4.02Å; K474-E499 HydrophobicContact CB-CG 4.41Å; K474-E499 HydrophobicContact CD-CG 4.39Å; K474-E499 WeakPolarHBondContact CE-OE1 3.44Å; K474-E499 HydrophobicContact CG-CB 4.37Å; K474-E499 HydrophobicContact CG-CG 4.21Å; K474-E499 VanDerWaalsContact NZ-CD 3.25Å; K474-E499 IonicContact NZ-OE1 3.11Å; K474-E499 PolarHBondContact NZ-OE1 3.01Å; K474-E499 IonicContact NZ-OE2 3.34Å; K474-E499 PolarHBondContact NZ-OE2 2.8Å; K474-E499 VanDerWaalsContact NZ-OE2 3.09Å; E499-A541 PolarHBondContact O-N 2.78Å
500	N	92.4	Very high	95.1	Very high	113 Å²	113	55.1 Å²	55.1	60%	0.604	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-17.9	179.4	-57.8	-67.5	0	0	0	112.5	D498 A541	D498-N500 PolarHBondContact O-N 2.8Å; D498-N500 VanDerWaalsContact O-N 3.16Å; D498-N500 WeakPolarHBondContact OD1-CB 3.46Å; D498-N500 PolarHBondContact OD1-N 3.06Å; D498-N500 PolarHBondContact OD1-ND2 3.23Å; N500-A541 WeakPolarHBondContact O-CB 3.34Å
501	D	96.2	Very high	94.8	Very high	91 Å²	91	55.5 Å²	55.5	49%	0.487	28%	0.283	S	S	.	.	S	Bend	trans	-87.9	147.7	172.5	-72.3	-25.2	0	0	0	110.1	D498 H503 S539	D498-D501 HydrophobicContact CB-CB 4.42Å; D498-D501 PolarHBondContact O-N 2.78Å; D501-H503 WeakPolarHBondContact CB-NE2 3.5Å; D501-H503 PolarHBondContact O-N 2.78Å; D501-H503 VanDerWaalsContact O-N 3.16Å; D501-S539 WeakPolarHBondContact O-CB 3.38Å; D501-S539 PolarHBondContact O-OG 3.33Å
502	A	97.1	Very high	94.3	Very high	47 Å²	47	57.3 Å²	57.3	39%	0.388	30%	0.302	S	S	.	.			trans	-78.3	101.9	-179	0	0	0	0	0	110.1	A541 A542 L577	A502-A541 HydrophobicContact CB-CB 4.43Å; A502-A542 HydrophobicContact CB-CB 4.19Å; A502-L577 HydrophobicContact CB-CD1 4.12Å
503	H	97.9	Very high	93.8	Very high	36 Å²	36	55.2 Å²	55.2	17%	0.167	30%	0.3	C	S	.	.			trans	-116	131	178.3	-62.7	-60.3	0	0	0	111.3	W475 Y497 D498 D501 L505 S539 A542	W475-H503 HydrophobicContact CH2-CB 3.64Å; W475-H503 HydrophobicContact CZ3-CB 4Å; Y497-H503 AromaticContact CD1-CE1 3.93Å; D498-H503 PolarHBondContact O-CD2 2.82Å; D498-H503 PolarHBondContact O-NE2 3.37Å; D501-H503 WeakPolarHBondContact CB-NE2 3.5Å; D501-H503 PolarHBondContact O-N 2.78Å; D501-H503 VanDerWaalsContact O-N 3.16Å; H503-L505 HydrophobicContact CB-CD2 4.25Å; H503-L505 HydrophobicContact CB-CG 4.39Å; H503-S539 PolarHBondContact N-OG 2.85Å; H503-S539 PolarHBondContact O-N 3.06Å; H503-A542 VanDerWaalsContact O-CB 3.27Å; H503-A542 WeakPolarHBondContact O-CB 3.48Å
504	F	98.2	Very high	93.3	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	105.6	169.8	-179.6	-164.6	0	0	0	108	P530 F536 L538 L568 A572 L577 L579 T580	F504-P530 HydrophobicContact CE2-CB 4.5Å; F504-P530 HydrophobicContact CE2-CG 4.2Å; F504-P530 HydrophobicContact CZ-CB 4.45Å; F504-P530 HydrophobicContact CZ-CG 3.77Å; F504-F536 HydrophobicContact CD2-CD2 4.26Å; F504-F536 HydrophobicContact CE2-CB 4.08Å; F504-F536 AromaticContact CE2-CD2 3.57Å; F504-F536 HydrophobicContact CE2-CD2 3.57Å; F504-F536 HydrophobicContact CE2-CE2 4.25Å; F504-F536 AromaticContact CE2-CG 3.99Å; F504-F536 HydrophobicContact CE2-CG 3.99Å; F504-L538 HydrophobicContact CB-CD2 3.99Å; F504-L538 HydrophobicContact CD2-CD2 3.44Å; F504-L538 VanDerWaalsContact CD2-CD2 3.44Å; F504-L538 HydrophobicContact CE2-CD2 4.05Å; F504-L538 HydrophobicContact CG-CD2 3.81Å; F504-L568 HydrophobicContact CZ-CD2 4.21Å; F504-L568 HydrophobicContact CZ-CG 4.39Å; F504-A572 HydrophobicContact CD1-CB 3.92Å; F504-A572 HydrophobicContact CE1-CB 3.9Å; F504-L577 HydrophobicContact CB-CD1 3.81Å; F504-L577 HydrophobicContact CB-CD2 4.07Å; F504-L577 HydrophobicContact CB-CG 3.77Å; F504-L577 HydrophobicContact CD1-CG 4.37Å; F504-L579 HydrophobicContact CD1-CB 4.1Å; F504-L579 HydrophobicContact CD1-CD1 3.95Å; F504-L579 HydrophobicContact CD2-CD1 3.62Å; F504-L579 HydrophobicContact CE1-CB 4.25Å; F504-L579 HydrophobicContact CE1-CD1 3.95Å; F504-L579 HydrophobicContact CE2-CD1 3.62Å; F504-L579 HydrophobicContact CG-CD1 3.81Å; F504-L579 HydrophobicContact CZ-CD1 3.81Å; F504-T580 PolarHBondContact O-N 3.11Å
505	L	97.9	Very high	92.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.2	-173.2	-53.3	-176.8	0	0	0	110	W475 L494 Y497 H503 F536 A537 T580 F585	W475-L505 HydrophobicContact CH2-CD1 3.75Å; W475-L505 HydrophobicContact CH2-CG 4.3Å; W475-L505 HydrophobicContact CZ3-CD1 3.76Å; W475-L505 HydrophobicContact CZ3-CG 4.08Å; L494-L505 HydrophobicContact CD2-CD1 3.88Å; Y497-L505 HydrophobicContact CD1-CD2 4.34Å; Y497-L505 HydrophobicContact CD2-CD1 3.8Å; Y497-L505 HydrophobicContact CE1-CD2 3.95Å; Y497-L505 HydrophobicContact CE2-CD1 3.82Å; Y497-L505 HydrophobicContact CE2-CD2 4.36Å; Y497-L505 HydrophobicContact CG-CD1 4.25Å; H503-L505 HydrophobicContact CB-CD2 4.25Å; H503-L505 HydrophobicContact CB-CG 4.39Å; L505-F536 CarbonylContact O-C 3.53Å; L505-F536 WeakPolarHBondContact O-CA 3.38Å; L505-F536 VanDerWaalsContact O-CB 3.26Å; L505-F536 WeakPolarHBondContact O-CB 3.1Å; L505-A537 HydrophobicContact CB-CB 4.19Å; L505-A537 PolarHBondContact N-O 3.46Å; L505-A537 PolarHBondContact O-N 3.04Å; L505-T580 HydrophobicContact CD2-CG2 4.15Å; L505-F585 HydrophobicContact CB-CE2 4.3Å
506	G	97	Very high	91.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	165.2	177	0	0	0	0	0	111.9	A508 T580 D581 T582	G506-A508 PolarHBondContact O-N 3.23Å; G506-T580 PolarHBondContact N-O 2.95Å; G506-D581 CarbonylContact O-C 3.57Å; G506-D581 WeakPolarHBondContact O-CA 3.1Å; G506-T582 PolarHBondContact O-N 3.48Å
507	H	95.4	Very high	91.2	Very high	23 Å²	23	47.8 Å²	47.8	11%	0.106	26%	0.263	C	S	.	.			trans	-69	111.5	165.5	-179.2	73.1	0	0	0	108.3	P530 N531 A534 F585 E803	H507-P530 CarbonylContact O-C 3.54Å; H507-P530 WeakPolarHBondContact O-CA 3.46Å; H507-N531 HydrophobicContact CB-CB 4.3Å; H507-N531 PolarHBondContact O-N 2.96Å; H507-A534 HydrophobicContact CB-CB 3.63Å; H507-F585 HydrophobicContact CB-CB 4.31Å; H507-F585 WeakPolarHBondContact CB-O 3.27Å; H507-E803 IonicContact CD2-OE2 3.78Å; H507-E803 IonicContact CE1-OE2 2.84Å; H507-E803 IonicContact NE2-OE2 3.74Å; H507-E803 PolarHBondContact NE2-OE2 3.37Å
508	A	96.2	Very high	90.7	Very high	19 Å²	19	45 Å²	45	16%	0.157	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	127.4	-171.2	0	0	0	0	0	111.7	G506 L528 L579 D581	G506-A508 PolarHBondContact O-N 3.23Å; A508-L528 HydrophobicContact CB-CB 4.3Å; A508-L528 HydrophobicContact CB-CD1 4.38Å; A508-L579 HydrophobicContact CB-CD2 3.71Å; A508-L579 HydrophobicContact CB-CG 4.49Å; A508-D581 HydrophobicContact CB-CB 3.6Å; A508-D581 WeakPolarHBondContact CB-OD1 2.98Å; A508-D581 PolarHBondContact N-OD1 3.37Å
509	L	94.9	Very high	89.8	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	156.4	168	-61	176.5	0	0	0	109.8	L528 Y529 N531 E803 L804	L509-L528 WeakPolarHBondContact O-CA 3.36Å; L509-Y529 HydrophobicContact CB-CD2 3.71Å; L509-Y529 HydrophobicContact CB-CE1 4.18Å; L509-Y529 HydrophobicContact CB-CE2 3.33Å; L509-Y529 HydrophobicContact CB-CG 4.34Å; L509-Y529 HydrophobicContact CD1-CD2 4.15Å; L509-Y529 HydrophobicContact CD1-CE2 3.56Å; L509-Y529 HydrophobicContact CG-CD2 4.46Å; L509-Y529 HydrophobicContact CG-CE2 4.08Å; L509-Y529 PolarHBondContact N-O 3.33Å; L509-Y529 PolarHBondContact O-N 2.83Å; L509-N531 HydrophobicContact CD1-CB 3.7Å; L509-N531 HydrophobicContact CD2-CB 4.42Å; L509-N531 HydrophobicContact CG-CB 3.91Å; L509-E803 HydrophobicContact CD2-CB 3.99Å; L509-E803 HydrophobicContact CD2-CG 4.36Å; L509-L804 HydrophobicContact CD1-CD1 4.12Å; L509-L804 HydrophobicContact CD1-CD2 3.58Å; L509-L804 HydrophobicContact CD1-CG 3.81Å
510	K	93.1	Very high	89.3	Confident	117 Å²	117	44.6 Å²	44.6	51%	0.509	25%	0.247	S	C	.	.			trans	-144.7	148.8	173.1	67.5	-178.6	-175.5	177	0	108.4	L528 N801	K510-L528 HydrophobicContact CB-CD2 3.98Å; K510-N801 PolarHBondContact O-ND2 3.36Å
511	D	89.3	Confident	88.5	Confident	27 Å²	27	41.3 Å²	41.3	14%	0.144	23%	0.227	C	C	.	.			trans	-90.1	149.9	173	-47.3	-59	0	0	0	110.5	G513 T515 H518 Y529	D511-G513 WeakPolarHBondContact CB-O 3.39Å; D511-G513 PolarHBondContact O-N 3.11Å; D511-T515 HydrophobicContact CB-CG2 4.25Å; D511-H518 IonicContact OD1-CE1 2.77Å; D511-H518 PolarHBondContact OD1-CE1 2.85Å; D511-H518 IonicContact OD1-ND1 2.74Å; D511-H518 IonicContact OD2-CE1 3.56Å; D511-H518 PolarHBondContact OD2-CE1 2.93Å; D511-H518 IonicContact OD2-ND1 3.79Å; D511-H518 PolarHBondContact OD2-ND1 2.94Å; D511-Y529 PolarHBondContact OD1-OH 2.91Å; D511-Y529 VanDerWaalsContact OD2-CE1 3.31Å; D511-Y529 WeakPolarHBondContact OD2-CE1 3.37Å
512	D	84.4	Confident	87.5	Confident	169 Å²	169	44.4 Å²	44.4	90%	0.904	23%	0.232	S	C	*	.	S	Bend	trans	-71.7	-18	175.3	-67.6	-33.7	0	0	0	112.2
513	G	83.7	Confident	86.4	Confident	37 Å²	37	47.4 Å²	47.4	38%	0.381	24%	0.238	S	C	.	.	S	Bend	trans	-170.8	-179.6	179.5	0	0	0	0	0	111.9	D511 T515	D511-G513 WeakPolarHBondContact CB-O 3.39Å; D511-G513 PolarHBondContact O-N 3.11Å; G513-T515 PolarHBondContact O-N 2.78Å
514	P	84.1	Confident	85.2	Confident	59 Å²	59	51.4 Å²	51.4	38%	0.383	28%	0.277	S	S	.	.			trans	-66.9	119.7	179.5	27.9	-34.1	0	0	0	110.8	F520 R522	P514-F520 HydrophobicContact CB-CB 4.28Å; P514-F520 HydrophobicContact CB-CD1 4.38Å; P514-R522 HydrophobicContact CB-CG 3.79Å; P514-R522 HydrophobicContact CG-CG 4.12Å
515	T	83.9	Confident	84.4	Confident	13 Å²	13	56.4 Å²	56.4	8%	0.08	30%	0.299	C	S	.	.			trans	-107	155.4	179.2	66.4	0	0	0	0	111.3	D511 G513 V517 H518 H519 F520 D799	D511-T515 HydrophobicContact CB-CG2 4.25Å; G513-T515 PolarHBondContact O-N 2.78Å; T515-V517 VanDerWaalsContact C-N 3.29Å; T515-V517 PolarHBondContact O-N 3.35Å; T515-H518 CarbonylContact O-C 3.19Å; T515-H518 PolarHBondContact O-N 3.44Å; T515-H518 PolarHBondContact OG1-N 3.17Å; T515-H518 PolarHBondContact OG1-ND1 2.91Å; T515-H518 VanDerWaalsContact OG1-ND1 3.15Å; T515-H519 PolarHBondContact O-N 2.99Å; T515-F520 WeakPolarHBondContact O-CA 3.37Å; T515-F520 PolarHBondContact O-N 3.39Å; T515-D799 WeakPolarHBondContact CB-O 3.31Å
516	I	78	Confident	83.8	Confident	54 Å²	54	59.8 Å²	59.8	28%	0.277	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-65.5	-34.7	175.3	-170.6	168.1	0	0	0	112.2	P248 H518 H519 F520 N795 D799	P248-I516 HydrophobicContact CB-CD1 4.41Å; I516-H518 PolarHBondContact O-N 2.6Å; I516-H518 VanDerWaalsContact O-N 3.16Å; I516-H519 PolarHBondContact O-N 2.58Å; I516-F520 HydrophobicContact CB-CE1 4.06Å; I516-F520 HydrophobicContact CB-CE2 4.17Å; I516-F520 HydrophobicContact CB-CZ 3.54Å; I516-F520 HydrophobicContact CD1-CZ 4.33Å; I516-F520 HydrophobicContact CG1-CE2 4.05Å; I516-F520 HydrophobicContact CG1-CZ 3.85Å; I516-N795 HydrophobicContact CG2-CB 4.03Å; I516-N795 VanDerWaalsContact CG2-CG 3.45Å; I516-N795 WeakPolarHBondContact CG2-OD1 3.17Å; I516-D799 HydrophobicContact CG2-CB 4.02Å
517	V	80.1	Confident	83.6	Confident	6 Å²	6	60.5 Å²	60.5	4%	0.036	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-59.5	-27.8	179.2	179.7	0	0	0	0	110.9	T515 I562 D563 N795 D799 Y800	T515-V517 VanDerWaalsContact C-N 3.29Å; T515-V517 PolarHBondContact O-N 3.35Å; V517-I562 HydrophobicContact CB-CG2 4.48Å; V517-I562 HydrophobicContact CG1-CG2 3.91Å; V517-I562 WeakPolarHBondContact O-CG2 3.47Å; V517-D563 HydrophobicContact CG1-CB 3.86Å; V517-N795 HydrophobicContact CG2-CB 4.37Å; V517-N795 WeakPolarHBondContact CG2-ND2 3.44Å; V517-D799 HydrophobicContact CG2-CB 4.19Å; V517-D799 WeakPolarHBondContact CG2-O 3.43Å; V517-Y800 HydrophobicContact CG1-CD1 4.45Å; V517-Y800 HydrophobicContact CG1-CE1 4.17Å; V517-Y800 HydrophobicContact CG2-CD1 4.02Å; V517-Y800 HydrophobicContact CG2-CE1 3.56Å; V517-Y800 HydrophobicContact CG2-CE2 4.47Å
518	H	84.7	Confident	83.6	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.028	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-111.2	29.6	177.6	-53.7	144.4	0	0	0	113.3	D511 T515 I516 F520 Y521 Y529 D563 F566	D511-H518 IonicContact OD1-CE1 2.77Å; D511-H518 PolarHBondContact OD1-CE1 2.85Å; D511-H518 IonicContact OD1-ND1 2.74Å; D511-H518 IonicContact OD2-CE1 3.56Å; D511-H518 PolarHBondContact OD2-CE1 2.93Å; D511-H518 IonicContact OD2-ND1 3.79Å; D511-H518 PolarHBondContact OD2-ND1 2.94Å; T515-H518 CarbonylContact O-C 3.19Å; T515-H518 PolarHBondContact O-N 3.44Å; T515-H518 PolarHBondContact OG1-N 3.17Å; T515-H518 PolarHBondContact OG1-ND1 2.91Å; T515-H518 VanDerWaalsContact OG1-ND1 3.15Å; I516-H518 PolarHBondContact O-N 2.6Å; I516-H518 VanDerWaalsContact O-N 3.16Å; H518-F520 PolarHBondContact O-N 3.23Å; H518-Y521 WeakPolarHBondContact O-CB 3.39Å; H518-Y521 PolarHBondContact O-N 2.89Å; H518-Y529 AromaticContact CE1-CE1 3.85Å; H518-Y529 AromaticContact CE1-CZ 3.73Å; H518-D563 IonicContact CD2-OD2 3.7Å; H518-D563 IonicContact CE1-OD2 2.76Å; H518-D563 IonicContact NE2-OD2 3.04Å; H518-D563 PolarHBondContact NE2-OD2 2.84Å; H518-F566 HydrophobicContact CB-CD1 3.94Å; H518-F566 HydrophobicContact CB-CD2 3.97Å; H518-F566 HydrophobicContact CB-CE1 3.8Å; H518-F566 HydrophobicContact CB-CE2 3.82Å; H518-F566 HydrophobicContact CB-CG 4.04Å; H518-F566 HydrophobicContact CB-CZ 3.75Å; H518-F566 WeakPolarHBondContact CD2-CB 3.22Å; H518-F566 AromaticContact CD2-CD1 3.85Å; H518-F566 AromaticContact CD2-CD2 3.55Å; H518-F566 AromaticContact CD2-CG 3.3Å; H518-F566 WeakPolarHBondContact CD2-CG 3.33Å; H518-F566 AromaticContact CE1-CD2 3.73Å; H518-F566 AromaticContact CG-CD1 3.99Å; H518-F566 AromaticContact CG-CD2 3.44Å; H518-F566 VanDerWaalsContact CG-CD2 3.44Å; H518-F566 AromaticContact CG-CE2 3.75Å; H518-F566 AromaticContact CG-CG 3.59Å; H518-F566 AromaticContact ND1-CD2 3.6Å; H518-F566 AromaticContact ND1-CE2 3.88Å; H518-F566 AromaticContact NE2-CD2 3.72Å; H518-F566 AromaticContact NE2-CG 3.73Å
519	H	75.4	Confident	83.6	Confident	82 Å²	82	61.2 Å²	61.2	38%	0.38	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	31.4	177.3	-57.3	-60	0	0	0	115	T515 I516 Y521	T515-H519 PolarHBondContact O-N 2.99Å; I516-H519 PolarHBondContact O-N 2.58Å; H519-Y521 PolarHBondContact O-N 3.25Å
520	F	74.9	Confident	83.7	Confident	32 Å²	32	61.1 Å²	61.1	14%	0.14	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	40	-172.5	-55.6	-70.8	0	0	0	112.9	P248 V250 P514 T515 I516 H518 R522	P248-F520 HydrophobicContact CB-CE1 4.48Å; P248-F520 HydrophobicContact CB-CE2 4.18Å; P248-F520 HydrophobicContact CB-CZ 3.58Å; P248-F520 HydrophobicContact CG-CE1 3.8Å; P248-F520 HydrophobicContact CG-CE2 4.37Å; P248-F520 HydrophobicContact CG-CZ 3.36Å; V250-F520 HydrophobicContact CG2-CD2 4.38Å; V250-F520 HydrophobicContact CG2-CE2 4.31Å; P514-F520 HydrophobicContact CB-CB 4.28Å; P514-F520 HydrophobicContact CB-CD1 4.38Å; T515-F520 WeakPolarHBondContact O-CA 3.37Å; T515-F520 PolarHBondContact O-N 3.39Å; I516-F520 HydrophobicContact CB-CE1 4.06Å; I516-F520 HydrophobicContact CB-CE2 4.17Å; I516-F520 HydrophobicContact CB-CZ 3.54Å; I516-F520 HydrophobicContact CD1-CZ 4.33Å; I516-F520 HydrophobicContact CG1-CE2 4.05Å; I516-F520 HydrophobicContact CG1-CZ 3.85Å; H518-F520 PolarHBondContact O-N 3.23Å; F520-R522 WeakPolarHBondContact O-CG 3.35Å; F520-R522 PolarHBondContact O-N 3.3Å; F520-R522 VanDerWaalsContact O-N 3.11Å
521	Y	75.2	Confident	83.8	Confident	45 Å²	45	55.6 Å²	55.6	18%	0.176	30%	0.302	C	S	.	.			trans	-50.7	121.4	174.8	179.8	-95.3	0	0	0	110.6	H518 H519 E523 L527 F566 L570 Q573	H518-Y521 WeakPolarHBondContact O-CB 3.39Å; H518-Y521 PolarHBondContact O-N 2.89Å; H519-Y521 PolarHBondContact O-N 3.25Å; Y521-E523 HydrophobicContact CE1-CB 3.87Å; Y521-E523 HydrophobicContact CE1-CG 3.95Å; Y521-E523 HydrophobicContact CE2-CG 3.95Å; Y521-E523 VanDerWaalsContact CZ-CD 3.45Å; Y521-E523 WeakPolarHBondContact OH-CG 3.12Å; Y521-E523 PolarHBondContact OH-OE1 3.3Å; Y521-E523 PolarHBondContact OH-OE2 3.26Å; Y521-L527 HydrophobicContact CD1-CB 4.46Å; Y521-L527 HydrophobicContact CE1-CB 3.8Å; Y521-F566 AromaticContact CD1-CZ 3.92Å; Y521-F566 HydrophobicContact CD1-CZ 3.92Å; Y521-F566 HydrophobicContact CD2-CZ 4.18Å; Y521-F566 HydrophobicContact CG-CE1 4.37Å; Y521-F566 AromaticContact CG-CZ 3.66Å; Y521-F566 HydrophobicContact CG-CZ 3.66Å; Y521-L570 HydrophobicContact CD2-CD1 4.18Å; Y521-L570 HydrophobicContact CE2-CD1 3.57Å; Y521-Q573 PolarHBondContact OH-OE1 2.83Å; Y521-Q573 VanDerWaalsContact OH-OE1 3.06Å
522	R	75.4	Confident	84	Confident	156 Å²	156	55.5 Å²	55.5	59%	0.589	30%	0.299	S	S	*	.			trans	-130.1	102.3	-178.5	-77	177.2	-173.6	-179.9	-0.3	109	P514 F520	P514-R522 HydrophobicContact CB-CG 3.79Å; P514-R522 HydrophobicContact CG-CG 4.12Å; F520-R522 WeakPolarHBondContact O-CG 3.35Å; F520-R522 PolarHBondContact O-N 3.3Å; F520-R522 VanDerWaalsContact O-N 3.11Å
523	E	74.6	Confident	84.3	Confident	110 Å²	110	48.2 Å²	48.2	51%	0.514	26%	0.259	S	S	.	.			trans	-128.7	159.7	166.3	-72.8	-164.9	-178.8	0	0	110.1	Y521 K525	Y521-E523 HydrophobicContact CE1-CB 3.87Å; Y521-E523 HydrophobicContact CE1-CG 3.95Å; Y521-E523 HydrophobicContact CE2-CG 3.95Å; Y521-E523 VanDerWaalsContact CZ-CD 3.45Å; Y521-E523 WeakPolarHBondContact OH-CG 3.12Å; Y521-E523 PolarHBondContact OH-OE1 3.3Å; Y521-E523 PolarHBondContact OH-OE2 3.26Å; E523-K525 PolarHBondContact O-N 3.3Å
524	A	72.9	Confident	84.7	Confident	119 Å²	119	46.5 Å²	46.5	98%	0.983	24%	0.241	S	C	*	.	S	Bend	trans	-62.2	-30.6	-178	0	0	0	0	0	113
525	K	80.2	Confident	85.2	Confident	109 Å²	109	43.7 Å²	43.7	47%	0.474	22%	0.223	S	C	.	.	S	Bend	trans	-106.7	127	172	-176.2	-178	170.8	-168.9	0	108	E523 L527 E578	E523-K525 PolarHBondContact O-N 3.3Å; K525-L527 PolarHBondContact O-N 3.15Å; K525-E578 IonicContact NZ-OE1 2.86Å; K525-E578 PolarHBondContact NZ-OE1 3.4Å; K525-E578 IonicContact NZ-OE2 2.79Å; K525-E578 PolarHBondContact NZ-OE2 2.76Å
526	P	85.9	Confident	85.9	Confident	71 Å²	71	43.2 Å²	43.2	46%	0.461	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-62.5	136.8	174.4	26.2	-33.2	0	0	0	110	L528	P526-L528 PolarHBondContact O-N 2.93Å
527	L	92.7	Very high	86.8	Confident	14 Å²	14	40.7 Å²	40.7	7%	0.073	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.9	127.2	175.7	177.5	61	0	0	0	109.2	Y521 K525 F566 A569 L570 Q573	Y521-L527 HydrophobicContact CD1-CB 4.46Å; Y521-L527 HydrophobicContact CE1-CB 3.8Å; K525-L527 PolarHBondContact O-N 3.15Å; L527-F566 HydrophobicContact CB-CE2 4.23Å; L527-F566 HydrophobicContact CB-CZ 4.5Å; L527-F566 HydrophobicContact CD2-CD2 4.3Å; L527-F566 HydrophobicContact CD2-CE1 4.16Å; L527-F566 HydrophobicContact CD2-CE2 3.83Å; L527-F566 HydrophobicContact CD2-CZ 3.73Å; L527-F566 HydrophobicContact CG-CE2 4.4Å; L527-A569 HydrophobicContact CD1-CB 4.3Å; L527-A569 HydrophobicContact CD2-CB 4.1Å; L527-A569 HydrophobicContact CG-CB 4.24Å; L527-L570 HydrophobicContact CD2-CB 4Å; L527-L570 HydrophobicContact CD2-CD1 4.23Å; L527-Q573 HydrophobicContact CD1-CB 4.15Å; L527-Q573 HydrophobicContact CD1-CG 4.32Å
528	L	95.4	Very high	87.7	Confident	58 Å²	58	40.5 Å²	40.5	30%	0.304	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-84.3	126.3	169.5	-61.5	-177.1	0	0	0	109.3	A508 L509 K510 P526 L579	A508-L528 HydrophobicContact CB-CB 4.3Å; A508-L528 HydrophobicContact CB-CD1 4.38Å; L509-L528 WeakPolarHBondContact O-CA 3.36Å; K510-L528 HydrophobicContact CB-CD2 3.98Å; P526-L528 PolarHBondContact O-N 2.93Å; L528-L579 HydrophobicContact CB-CB 4.26Å; L528-L579 HydrophobicContact CB-CD2 4.3Å
529	Y	96.6	Very high	88.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147	179.4	60.1	-94.6	0	0	0	111.5	L509 D511 H518 Q565 F566 L804	L509-Y529 HydrophobicContact CB-CD2 3.71Å; L509-Y529 HydrophobicContact CB-CE1 4.18Å; L509-Y529 HydrophobicContact CB-CE2 3.33Å; L509-Y529 HydrophobicContact CB-CG 4.34Å; L509-Y529 HydrophobicContact CD1-CD2 4.15Å; L509-Y529 HydrophobicContact CD1-CE2 3.56Å; L509-Y529 HydrophobicContact CG-CD2 4.46Å; L509-Y529 HydrophobicContact CG-CE2 4.08Å; L509-Y529 PolarHBondContact N-O 3.33Å; L509-Y529 PolarHBondContact O-N 2.83Å; D511-Y529 PolarHBondContact OD1-OH 2.91Å; D511-Y529 VanDerWaalsContact OD2-CE1 3.31Å; D511-Y529 WeakPolarHBondContact OD2-CE1 3.37Å; H518-Y529 AromaticContact CE1-CE1 3.85Å; H518-Y529 AromaticContact CE1-CZ 3.73Å; Y529-Q565 HydrophobicContact CD2-CG 3.64Å; Y529-Q565 HydrophobicContact CE2-CG 4.08Å; Y529-F566 AromaticContact CD1-CD2 3.58Å; Y529-F566 HydrophobicContact CD1-CD2 3.58Å; Y529-F566 HydrophobicContact CD1-CE2 4.25Å; Y529-F566 AromaticContact CE1-CD2 3.98Å; Y529-F566 HydrophobicContact CE1-CD2 3.98Å; Y529-F566 HydrophobicContact CG-CB 4.42Å; Y529-F566 HydrophobicContact CG-CD2 4.13Å; Y529-L804 HydrophobicContact CE2-CD1 4.49Å
530	P	96.8	Very high	89.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	142.2	-173.9	31.1	-37.9	0	0	0	111.2	F504 H507 Y532 F536 Q565 L579	F504-P530 HydrophobicContact CE2-CB 4.5Å; F504-P530 HydrophobicContact CE2-CG 4.2Å; F504-P530 HydrophobicContact CZ-CB 4.45Å; F504-P530 HydrophobicContact CZ-CG 3.77Å; H507-P530 CarbonylContact O-C 3.54Å; H507-P530 WeakPolarHBondContact O-CA 3.46Å; P530-Y532 HydrophobicContact CG-CD1 4.13Å; P530-Y532 HydrophobicContact CG-CE1 3.88Å; P530-Y532 PolarHBondContact O-N 3.32Å; P530-F536 HydrophobicContact CB-CB 4.02Å; P530-F536 HydrophobicContact CB-CD1 4.39Å; P530-F536 HydrophobicContact CB-CG 4.4Å; P530-F536 HydrophobicContact CG-CD1 4.38Å; P530-Q565 WeakPolarHBondContact O-CB 3.43Å; P530-Q565 WeakPolarHBondContact O-CG 3.46Å; P530-Q565 PolarHBondContact O-OE1 3.19Å; P530-L579 HydrophobicContact CB-CD1 4.11Å; P530-L579 HydrophobicContact CB-CD2 4.17Å
531	N	94.8	Very high	90.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.202	C	C	.	.			trans	-76.5	108.1	164.4	-168.4	-39.3	0	0	0	110	H507 L509 R533 A534 G535 T587	H507-N531 HydrophobicContact CB-CB 4.3Å; H507-N531 PolarHBondContact O-N 2.96Å; L509-N531 HydrophobicContact CD1-CB 3.7Å; L509-N531 HydrophobicContact CD2-CB 4.42Å; L509-N531 HydrophobicContact CG-CB 3.91Å; N531-R533 PolarHBondContact O-N 3.04Å; N531-R533 VanDerWaalsContact O-N 3.1Å; N531-R533 VanDerWaalsContact OD1-CB 3.28Å; N531-R533 WeakPolarHBondContact OD1-CB 3.28Å; N531-R533 PolarHBondContact OD1-N 3.49Å; N531-A534 HydrophobicContact CB-CB 4.42Å; N531-A534 PolarHBondContact O-N 2.75Å; N531-G535 PolarHBondContact O-N 3.38Å; N531-T587 HydrophobicContact CB-CG2 4.35Å; N531-T587 WeakPolarHBondContact ND2-CG2 3.44Å
532	Y	94.2	Very high	91.3	Very high	25 Å²	25	37.4 Å²	37.4	10%	0.098	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.3	-178.8	-83.2	13.8	0	0	0	114	V457 P530 A534 G535 F536 A564 Q565 L568	V457-Y532 HydrophobicContact CG2-CE2 3.92Å; V457-Y532 VanDerWaalsContact CG2-OH 3.3Å; V457-Y532 WeakPolarHBondContact CG2-OH 3.32Å; P530-Y532 HydrophobicContact CG-CD1 4.13Å; P530-Y532 HydrophobicContact CG-CE1 3.88Å; P530-Y532 PolarHBondContact O-N 3.32Å; Y532-A534 VanDerWaalsContact C-N 3.33Å; Y532-G535 PolarHBondContact O-N 3.34Å; Y532-F536 AromaticContact CD1-CD1 3.88Å; Y532-F536 HydrophobicContact CD1-CD1 3.88Å; Y532-F536 AromaticContact CD1-CE1 3.76Å; Y532-F536 HydrophobicContact CD1-CE1 3.76Å; Y532-F536 AromaticContact CE1-CD1 3.86Å; Y532-F536 HydrophobicContact CE1-CD1 3.86Å; Y532-F536 AromaticContact CE1-CE1 3.4Å; Y532-F536 HydrophobicContact CE1-CE1 3.4Å; Y532-F536 HydrophobicContact CE1-CZ 4.25Å; Y532-F536 AromaticContact CZ-CE1 3.98Å; Y532-A564 HydrophobicContact CE2-CB 3.88Å; Y532-A564 PolarHBondContact OH-O 3.5Å; Y532-Q565 HydrophobicContact CD1-CB 3.4Å; Y532-Q565 HydrophobicContact CD2-CB 4.12Å; Y532-Q565 VanDerWaalsContact CE1-CA 3.44Å; Y532-Q565 HydrophobicContact CE1-CB 3.38Å; Y532-Q565 HydrophobicContact CE2-CB 4.11Å; Y532-Q565 HydrophobicContact CG-CB 3.79Å; Y532-Q565 VanDerWaalsContact CZ-CA 3.48Å; Y532-L568 HydrophobicContact CE1-CD2 4.15Å; Y532-L568 WeakPolarHBondContact OH-CD2 3.36Å
533	R	90.9	Very high	92.4	Very high	16 Å²	16	30 Å²	30	6%	0.06	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-32.3	175.3	-66.5	178.4	169.4	144	-0.5	112.7	T483 N531 G535 T587 H598 S790 L804 E806	T483-R533 VanDerWaalsContact CG2-O 3.25Å; T483-R533 WeakPolarHBondContact CG2-O 3.31Å; T483-R533 PolarHBondContact OG1-O 2.59Å; N531-R533 PolarHBondContact O-N 3.04Å; N531-R533 VanDerWaalsContact O-N 3.1Å; N531-R533 VanDerWaalsContact OD1-CB 3.28Å; N531-R533 WeakPolarHBondContact OD1-CB 3.28Å; N531-R533 PolarHBondContact OD1-N 3.49Å; R533-G535 VanDerWaalsContact C-N 3.3Å; R533-T587 HydrophobicContact CB-CG2 4.46Å; R533-H598 HydrophobicContact CB-CB 4.36Å; R533-S790 PolarHBondContact NH2-OG 3.48Å; R533-L804 PolarHBondContact NH1-O 3.08Å; R533-E806 IonicContact CZ-OE1 3.25Å; R533-E806 IonicContact NE-OE1 3.92Å; R533-E806 PolarHBondContact NE-OE1 3.42Å; R533-E806 IonicContact NH1-OE1 3.87Å; R533-E806 IonicContact NH2-OE1 3.83Å; R533-E806 PolarHBondContact NH2-OE1 3.16Å
534	A	92.7	Very high	93.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.6	175.1	0	0	0	0	0	112.2	H507 N531 Y532 F585 T587 T596	H507-A534 HydrophobicContact CB-CB 3.63Å; N531-A534 HydrophobicContact CB-CB 4.42Å; N531-A534 PolarHBondContact O-N 2.75Å; Y532-A534 VanDerWaalsContact C-N 3.33Å; A534-F585 HydrophobicContact CB-CB 4.12Å; A534-T587 HydrophobicContact CB-CG2 3.95Å; A534-T596 WeakPolarHBondContact O-CB 3.29Å; A534-T596 VanDerWaalsContact O-CG2 3.23Å; A534-T596 WeakPolarHBondContact O-CG2 3Å; A534-T596 PolarHBondContact O-OG1 2.79Å
535	G	95	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.			trans	75.6	169.3	-171.2	0	0	0	0	0	112.9	F478 N531 Y532 R533	F478-G535 CarbonylContact O-C 3.57Å; F478-G535 WeakPolarHBondContact O-CA 3.5Å; N531-G535 PolarHBondContact O-N 3.38Å; Y532-G535 PolarHBondContact O-N 3.34Å; R533-G535 VanDerWaalsContact C-N 3.3Å
536	F	97.6	Very high	95.2	Very high	4 Å²	4	21 Å²	21	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	156.2	177.2	65.8	-90	0	0	0	111.2	V457 F478 F504 L505 P530 Y532 L538 L568	V457-F536 HydrophobicContact CG1-CZ 4.04Å; V457-F536 HydrophobicContact CG2-CE1 4.47Å; V457-F536 HydrophobicContact CG2-CZ 4.15Å; F478-F536 HydrophobicContact CB-CD1 3.94Å; F478-F536 HydrophobicContact CB-CD2 4.21Å; F478-F536 HydrophobicContact CB-CE1 3.46Å; F478-F536 VanDerWaalsContact CB-CE1 3.46Å; F478-F536 HydrophobicContact CB-CE2 3.77Å; F478-F536 HydrophobicContact CB-CG 4.28Å; F478-F536 HydrophobicContact CB-CZ 3.36Å; F478-F536 HydrophobicContact CD1-CE2 4.45Å; F478-F536 HydrophobicContact CD1-CZ 4.02Å; F478-F536 AromaticContact CD2-CD2 3.84Å; F478-F536 HydrophobicContact CD2-CD2 3.84Å; F478-F536 HydrophobicContact CD2-CE1 4.47Å; F478-F536 AromaticContact CD2-CE2 3.2Å; F478-F536 HydrophobicContact CD2-CE2 3.2Å; F478-F536 AromaticContact CD2-CZ 3.58Å; F478-F536 HydrophobicContact CD2-CZ 3.58Å; F478-F536 AromaticContact CE2-CE2 3.84Å; F478-F536 HydrophobicContact CE2-CE2 3.84Å; F478-F536 HydrophobicContact CE2-CZ 4.34Å; F478-F536 HydrophobicContact CG-CD2 4.33Å; F478-F536 HydrophobicContact CG-CE1 4.04Å; F478-F536 AromaticContact CG-CE2 3.57Å; F478-F536 HydrophobicContact CG-CE2 3.57Å; F478-F536 AromaticContact CG-CZ 3.38Å; F478-F536 HydrophobicContact CG-CZ 3.38Å; F478-F536 PolarHBondContact N-O 3.44Å; F478-F536 PolarHBondContact O-N 2.9Å; F504-F536 HydrophobicContact CD2-CD2 4.26Å; F504-F536 HydrophobicContact CE2-CB 4.08Å; F504-F536 AromaticContact CE2-CD2 3.57Å; F504-F536 HydrophobicContact CE2-CD2 3.57Å; F504-F536 HydrophobicContact CE2-CE2 4.25Å; F504-F536 AromaticContact CE2-CG 3.99Å; F504-F536 HydrophobicContact CE2-CG 3.99Å; L505-F536 CarbonylContact O-C 3.53Å; L505-F536 WeakPolarHBondContact O-CA 3.38Å; L505-F536 VanDerWaalsContact O-CB 3.26Å; L505-F536 WeakPolarHBondContact O-CB 3.1Å; P530-F536 HydrophobicContact CB-CB 4.02Å; P530-F536 HydrophobicContact CB-CD1 4.39Å; P530-F536 HydrophobicContact CB-CG 4.4Å; P530-F536 HydrophobicContact CG-CD1 4.38Å; Y532-F536 AromaticContact CD1-CD1 3.88Å; Y532-F536 HydrophobicContact CD1-CD1 3.88Å; Y532-F536 AromaticContact CD1-CE1 3.76Å; Y532-F536 HydrophobicContact CD1-CE1 3.76Å; Y532-F536 AromaticContact CE1-CD1 3.86Å; Y532-F536 HydrophobicContact CE1-CD1 3.86Å; Y532-F536 AromaticContact CE1-CE1 3.4Å; Y532-F536 HydrophobicContact CE1-CE1 3.4Å; Y532-F536 HydrophobicContact CE1-CZ 4.25Å; Y532-F536 AromaticContact CZ-CE1 3.98Å; F536-L538 HydrophobicContact CD2-CG 4.4Å; F536-L538 HydrophobicContact CE2-CD1 4.45Å; F536-L538 HydrophobicContact CE2-CG 4.31Å; F536-L568 HydrophobicContact CE1-CD2 4.03Å; F536-L568 HydrophobicContact CE2-CD2 3.68Å; F536-L568 HydrophobicContact CZ-CD2 3.41Å; F536-L568 VanDerWaalsContact CZ-CD2 3.41Å
537	A	97.8	Very high	95.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	138.2	-179.4	0	0	0	0	0	111.1	W475 V476 F477 L494 L505 F585	W475-A537 HydrophobicContact CE3-CB 3.93Å; W475-A537 HydrophobicContact CZ3-CB 4.24Å; V476-A537 WeakPolarHBondContact O-CA 3.31Å; F477-A537 HydrophobicContact CD2-CB 3.67Å; F477-A537 HydrophobicContact CE2-CB 4.13Å; L494-A537 HydrophobicContact CD2-CB 3.87Å; L505-A537 HydrophobicContact CB-CB 4.19Å; L505-A537 PolarHBondContact N-O 3.46Å; L505-A537 PolarHBondContact O-N 3.04Å; A537-F585 HydrophobicContact CB-CE2 4.48Å
538	L	98	Very high	95.9	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	167.4	-62.3	178.9	0	0	0	108.8	W475 V476 F478 F504 F536 A542 F543 L546	W475-L538 WeakPolarHBondContact CA-O 3.46Å; W475-L538 VanDerWaalsContact CE3-C 3.46Å; V476-L538 PolarHBondContact N-O 3.22Å; V476-L538 PolarHBondContact O-N 3.18Å; F478-L538 HydrophobicContact CE2-CD1 3.86Å; F478-L538 HydrophobicContact CE2-CG 4.22Å; F504-L538 HydrophobicContact CB-CD2 3.99Å; F504-L538 HydrophobicContact CD2-CD2 3.44Å; F504-L538 VanDerWaalsContact CD2-CD2 3.44Å; F504-L538 HydrophobicContact CE2-CD2 4.05Å; F504-L538 HydrophobicContact CG-CD2 3.81Å; F536-L538 HydrophobicContact CD2-CG 4.4Å; F536-L538 HydrophobicContact CE2-CD1 4.45Å; F536-L538 HydrophobicContact CE2-CG 4.31Å; L538-A542 HydrophobicContact CB-CB 4.41Å; L538-A542 HydrophobicContact CD2-CB 4.38Å; L538-F543 HydrophobicContact CB-CB 4.17Å; L538-F543 HydrophobicContact CD1-CD2 4.47Å; L538-L546 HydrophobicContact CD1-CD2 4.14Å
539	S	97.4	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	161.4	168.2	72.2	0	0	0	0	110	W475 D501 H503 A541 A542 F543	W475-S539 VanDerWaalsContact CE3-CA 3.46Å; W475-S539 VanDerWaalsContact CE3-N 3.32Å; W475-S539 VanDerWaalsContact CZ3-N 3.34Å; D501-S539 WeakPolarHBondContact O-CB 3.38Å; D501-S539 PolarHBondContact O-OG 3.33Å; H503-S539 PolarHBondContact N-OG 2.85Å; H503-S539 PolarHBondContact O-N 3.06Å; S539-A541 PolarHBondContact O-N 3.33Å; S539-A542 PolarHBondContact O-N 2.81Å; S539-A542 WeakPolarHBondContact OG-CB 3.33Å; S539-A542 PolarHBondContact OG-N 2.82Å; S539-A542 VanDerWaalsContact OG-N 3.17Å; S539-F543 WeakPolarHBondContact O-CB 3.41Å; S539-F543 PolarHBondContact O-N 2.85Å
540	R	95.8	Very high	95.8	Very high	82 Å²	82	19.9 Å²	19.9	31%	0.309	10%	0.101	S	C	.	.	H	α-helix	trans	-52.3	-45.6	175.4	-175.7	-173.9	-179.3	102.9	0.5	111.4	K471 F473 K474 L544	K471-R540 PolarHBondContact O-NH1 3.38Å; F473-R540 HydrophobicContact CE2-CB 4.18Å; F473-R540 HydrophobicContact CE2-CG 4.05Å; F473-R540 HydrophobicContact CZ-CG 4.11Å; F473-R540 WeakPolarHBondContact O-CD 3.32Å; F473-R540 PolarHBondContact O-NH1 3.49Å; K474-R540 WeakPolarHBondContact O-CB 3.41Å; K474-R540 PolarHBondContact O-N 3.46Å; R540-L544 HydrophobicContact CG-CD1 4.01Å; R540-L544 WeakPolarHBondContact O-CB 3.5Å; R540-L544 VanDerWaalsContact O-CG 3.25Å; R540-L544 WeakPolarHBondContact O-CG 3.3Å; R540-L544 PolarHBondContact O-N 3.38Å
541	A	96.1	Very high	95.5	Very high	19 Å²	19	22.9 Å²	22.9	16%	0.157	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-46	178.3	0	0	0	0	0	112.4	E499 N500 A502 S539 F543 L544 N545	E499-A541 PolarHBondContact O-N 2.78Å; N500-A541 WeakPolarHBondContact O-CB 3.34Å; A502-A541 HydrophobicContact CB-CB 4.43Å; S539-A541 PolarHBondContact O-N 3.33Å; A541-F543 PolarHBondContact O-N 2.74Å; A541-L544 PolarHBondContact O-N 3.4Å; A541-N545 VanDerWaalsContact O-CB 3.31Å; A541-N545 WeakPolarHBondContact O-CB 3.45Å; A541-N545 PolarHBondContact O-N 3.01Å; A541-N545 PolarHBondContact O-ND2 3.47Å; A541-N545 PolarHBondContact O-OD1 2.94Å
542	A	97.6	Very high	95.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.4	0	0	0	0	0	112.3	A502 H503 L538 S539 N545 L546 L577	A502-A542 HydrophobicContact CB-CB 4.19Å; H503-A542 VanDerWaalsContact O-CB 3.27Å; H503-A542 WeakPolarHBondContact O-CB 3.48Å; L538-A542 HydrophobicContact CB-CB 4.41Å; L538-A542 HydrophobicContact CD2-CB 4.38Å; S539-A542 PolarHBondContact O-N 2.81Å; S539-A542 WeakPolarHBondContact OG-CB 3.33Å; S539-A542 PolarHBondContact OG-N 2.82Å; S539-A542 VanDerWaalsContact OG-N 3.17Å; A542-N545 PolarHBondContact O-N 3.04Å; A542-L546 WeakPolarHBondContact O-CB 3.23Å; A542-L546 PolarHBondContact O-N 3.29Å; A542-L577 HydrophobicContact CB-CD1 4.01Å; A542-L577 HydrophobicContact CB-CD2 3.85Å
543	F	96.9	Very high	95.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-48.7	177.6	173.4	-101.4	0	0	0	111.9	L461 L464 D465 L468 F473 V476 L538 S539 A541 L546 V547	L461-F543 HydrophobicContact CB-CE2 4.48Å; L461-F543 HydrophobicContact CD2-CD2 4.21Å; L461-F543 HydrophobicContact CD2-CE2 3.86Å; L464-F543 HydrophobicContact CB-CE2 4.41Å; L464-F543 HydrophobicContact CB-CZ 4.22Å; L464-F543 HydrophobicContact CD2-CE2 3.88Å; L464-F543 HydrophobicContact CD2-CZ 4.28Å; L464-F543 HydrophobicContact CG-CE2 4.11Å; L464-F543 HydrophobicContact CG-CZ 3.99Å; D465-F543 HydrophobicContact CB-CE1 4.02Å; D465-F543 HydrophobicContact CB-CZ 3.93Å; L468-F543 HydrophobicContact CD1-CE1 4.09Å; L468-F543 HydrophobicContact CD1-CZ 4.14Å; F473-F543 HydrophobicContact CE2-CD1 4.15Å; F473-F543 AromaticContact CZ-CD1 3.77Å; F473-F543 HydrophobicContact CZ-CD1 3.77Å; F473-F543 HydrophobicContact CZ-CE1 4.09Å; V476-F543 HydrophobicContact CG2-CB 4.44Å; V476-F543 HydrophobicContact CG2-CD1 4.44Å; V476-F543 HydrophobicContact CG2-CD2 4.16Å; V476-F543 HydrophobicContact CG2-CG 4.08Å; L538-F543 HydrophobicContact CB-CB 4.17Å; L538-F543 HydrophobicContact CD1-CD2 4.47Å; S539-F543 WeakPolarHBondContact O-CB 3.41Å; S539-F543 PolarHBondContact O-N 2.85Å; A541-F543 PolarHBondContact O-N 2.74Å; F543-L546 PolarHBondContact O-N 2.72Å; F543-V547 HydrophobicContact CD1-CG2 4.47Å; F543-V547 HydrophobicContact CD2-CG2 4.31Å; F543-V547 HydrophobicContact CE1-CG2 4.1Å; F543-V547 HydrophobicContact CE2-CG2 3.91Å; F543-V547 HydrophobicContact CZ-CG2 3.8Å; F543-V547 WeakPolarHBondContact O-CB 3.4Å; F543-V547 VanDerWaalsContact O-CG2 3.24Å; F543-V547 WeakPolarHBondContact O-CG2 3.42Å; F543-V547 PolarHBondContact O-N 3.17Å
544	L	95.5	Very high	95.1	Very high	64 Å²	64	33 Å²	33	34%	0.335	17%	0.169	S	C	.	.	H	α-helix	trans	-67.4	-38.5	-179.7	-68.8	176.1	0	0	0	112.5	R540 A541 V547 S548	R540-L544 HydrophobicContact CG-CD1 4.01Å; R540-L544 WeakPolarHBondContact O-CB 3.5Å; R540-L544 VanDerWaalsContact O-CG 3.25Å; R540-L544 WeakPolarHBondContact O-CG 3.3Å; R540-L544 PolarHBondContact O-N 3.38Å; A541-L544 PolarHBondContact O-N 3.4Å; L544-V547 PolarHBondContact O-N 3.27Å; L544-S548 VanDerWaalsContact O-CB 3.31Å; L544-S548 WeakPolarHBondContact O-CB 3.2Å; L544-S548 PolarHBondContact O-N 3.43Å
545	N	96	Very high	94.8	Very high	85 Å²	85	36.2 Å²	36.2	46%	0.455	20%	0.195	S	C	.	.	H	α-helix	trans	-62.4	-45.5	175.4	-70.8	-9.2	0	0	0	110.9	A541 A542 S548 Y549 I575	A541-N545 VanDerWaalsContact O-CB 3.31Å; A541-N545 WeakPolarHBondContact O-CB 3.45Å; A541-N545 PolarHBondContact O-N 3.01Å; A541-N545 PolarHBondContact O-ND2 3.47Å; A541-N545 PolarHBondContact O-OD1 2.94Å; A542-N545 PolarHBondContact O-N 3.04Å; N545-S548 PolarHBondContact O-N 3.49Å; N545-Y549 WeakPolarHBondContact O-CB 3.28Å; N545-Y549 PolarHBondContact O-N 3.01Å; N545-I575 HydrophobicContact CB-CD1 4.18Å
546	L	96.6	Very high	94.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-45.2	178.3	-172.7	59.8	0	0	0	111.8	L461 L538 A542 F543 S548 Y549 L550 L568 I571 I575	L461-L546 HydrophobicContact CD1-CD2 3.35Å; L461-L546 HydrophobicContact CD1-CG 3.69Å; L538-L546 HydrophobicContact CD1-CD2 4.14Å; A542-L546 WeakPolarHBondContact O-CB 3.23Å; A542-L546 PolarHBondContact O-N 3.29Å; F543-L546 PolarHBondContact O-N 2.72Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.22Å; L546-Y549 PolarHBondContact O-N 3.37Å; L546-L550 HydrophobicContact CG-CD1 4.19Å; L546-L550 WeakPolarHBondContact O-CB 3.25Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.45Å; L546-L550 PolarHBondContact O-N 3.39Å; L546-L568 HydrophobicContact CD2-CD1 4.06Å; L546-I571 HydrophobicContact CD1-CG2 3.61Å; L546-I575 HydrophobicContact CB-CD1 4.4Å; L546-I575 HydrophobicContact CD1-CD1 4.31Å
547	V	95.9	Very high	93.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-60.7	-43.5	175.3	169.9	0	0	0	0	111.5	L461 D465 F543 L544 L550 K551	L461-V547 HydrophobicContact CB-CG2 3.87Å; D465-V547 HydrophobicContact CB-CG1 3.85Å; D465-V547 HydrophobicContact CB-CG2 4.09Å; F543-V547 HydrophobicContact CD1-CG2 4.47Å; F543-V547 HydrophobicContact CD2-CG2 4.31Å; F543-V547 HydrophobicContact CE1-CG2 4.1Å; F543-V547 HydrophobicContact CE2-CG2 3.91Å; F543-V547 HydrophobicContact CZ-CG2 3.8Å; F543-V547 WeakPolarHBondContact O-CB 3.4Å; F543-V547 VanDerWaalsContact O-CG2 3.24Å; F543-V547 WeakPolarHBondContact O-CG2 3.42Å; F543-V547 PolarHBondContact O-N 3.17Å; L544-V547 PolarHBondContact O-N 3.27Å; V547-L550 PolarHBondContact O-N 3.12Å; V547-K551 HydrophobicContact CG1-CD 3.95Å; V547-K551 VanDerWaalsContact CG1-CE 3.49Å; V547-K551 VanDerWaalsContact CG1-NZ 3.35Å; V547-K551 WeakPolarHBondContact O-CB 3.48Å; V547-K551 VanDerWaalsContact O-CG 3.31Å; V547-K551 WeakPolarHBondContact O-CG 3.44Å; V547-K551 PolarHBondContact O-N 3.04Å
548	S	95.8	Very high	93	Very high	59 Å²	59	50.3 Å²	50.3	41%	0.413	27%	0.267	S	S	.	.	H	α-helix	trans	-61.2	-48	178.3	-175.5	0	0	0	0	111.3	L544 N545 L546 K551 N552	L544-S548 VanDerWaalsContact O-CB 3.31Å; L544-S548 WeakPolarHBondContact O-CB 3.2Å; L544-S548 PolarHBondContact O-N 3.43Å; N545-S548 PolarHBondContact O-N 3.49Å; L546-S548 VanDerWaalsContact C-N 3.34Å; L546-S548 PolarHBondContact O-N 3.22Å; S548-K551 PolarHBondContact O-N 2.92Å; S548-N552 WeakPolarHBondContact O-CB 3.07Å; S548-N552 PolarHBondContact O-N 2.98Å; S548-N552 PolarHBondContact O-ND2 3.42Å; S548-N552 PolarHBondContact OG-ND2 3.02Å
549	Y	96	Very high	92.5	Very high	50 Å²	50	52.7 Å²	52.7	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-45.4	178.2	177.1	-110.7	0	0	0	112.4	N545 L546 K551 N552 D553 W554 I571 S574 I575	N545-Y549 WeakPolarHBondContact O-CB 3.28Å; N545-Y549 PolarHBondContact O-N 3.01Å; L546-Y549 PolarHBondContact O-N 3.37Å; Y549-K551 VanDerWaalsContact C-N 3.31Å; Y549-K551 PolarHBondContact O-N 3.08Å; Y549-N552 PolarHBondContact O-N 3.48Å; Y549-D553 HydrophobicContact CD2-CB 3.64Å; Y549-D553 HydrophobicContact CE2-CB 3.64Å; Y549-D553 PolarHBondContact O-N 3.32Å; Y549-W554 HydrophobicContact CD1-CB 3.93Å; Y549-W554 HydrophobicContact CD1-CG 4.41Å; Y549-W554 HydrophobicContact CE1-CB 3.61Å; Y549-W554 AromaticContact CE1-CD1 3.45Å; Y549-W554 VanDerWaalsContact CE1-CD1 3.45Å; Y549-W554 AromaticContact CE1-CG 3.82Å; Y549-W554 HydrophobicContact CE1-CG 3.82Å; Y549-W554 AromaticContact CZ-CD1 3.95Å; Y549-W554 PolarHBondContact O-N 3.48Å; Y549-I571 HydrophobicContact CD1-CG2 4.21Å; Y549-I571 HydrophobicContact CE1-CG2 4.15Å; Y549-S574 WeakPolarHBondContact CE1-OG 3.37Å; Y549-S574 PolarHBondContact OH-OG 2.82Å; Y549-I575 HydrophobicContact CD1-CG2 3.59Å; Y549-I575 HydrophobicContact CD2-CG2 3.38Å; Y549-I575 HydrophobicContact CE1-CG2 4.03Å; Y549-I575 HydrophobicContact CE2-CG2 3.86Å; Y549-I575 HydrophobicContact CG-CG2 3.24Å
550	L	94.1	Very high	92.2	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	30%	0.298	C	S	.	.	H	α-helix	trans	-59	-43.2	177.1	-75.5	172.2	0	0	0	112	W458 L461 L546 V547 W554 I571 K733	W458-L550 HydrophobicContact CB-CD1 3.9Å; W458-L550 HydrophobicContact CB-CD2 4.19Å; L461-L550 HydrophobicContact CB-CD1 4.22Å; L461-L550 HydrophobicContact CD1-CD1 3.62Å; L461-L550 HydrophobicContact CG-CD1 4.4Å; L546-L550 HydrophobicContact CG-CD1 4.19Å; L546-L550 WeakPolarHBondContact O-CB 3.25Å; L546-L550 VanDerWaalsContact O-CG 3.29Å; L546-L550 WeakPolarHBondContact O-CG 3.45Å; L546-L550 PolarHBondContact O-N 3.39Å; V547-L550 PolarHBondContact O-N 3.12Å; L550-W554 HydrophobicContact CD2-CB 4.01Å; L550-W554 HydrophobicContact CD2-CD2 3.56Å; L550-W554 HydrophobicContact CD2-CE3 3.44Å; L550-W554 VanDerWaalsContact CD2-CE3 3.44Å; L550-W554 HydrophobicContact CD2-CG 3.83Å; L550-W554 HydrophobicContact CD2-CZ3 4.08Å; L550-I571 HydrophobicContact CD2-CG2 3.95Å; L550-K733 WeakPolarHBondContact O-CD 3.31Å
551	K	90.5	Very high	92.1	Very high	62 Å²	62	52.5 Å²	52.5	27%	0.27	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-45.3	179.1	-76.3	172.1	-179.5	167.7	0	112.2	D465 V547 S548 Y549 K733	D465-K551 IonicContact OD2-NZ 3.88Å; D465-K551 PolarHBondContact OD2-NZ 3.02Å; V547-K551 HydrophobicContact CG1-CD 3.95Å; V547-K551 VanDerWaalsContact CG1-CE 3.49Å; V547-K551 VanDerWaalsContact CG1-NZ 3.35Å; V547-K551 WeakPolarHBondContact O-CB 3.48Å; V547-K551 VanDerWaalsContact O-CG 3.31Å; V547-K551 WeakPolarHBondContact O-CG 3.44Å; V547-K551 PolarHBondContact O-N 3.04Å; S548-K551 PolarHBondContact O-N 2.92Å; Y549-K551 VanDerWaalsContact C-N 3.31Å; Y549-K551 PolarHBondContact O-N 3.08Å; K551-K733 PolarHBondContact O-NZ 3.15Å
552	N	91.2	Very high	91.9	Very high	110 Å²	110	53.1 Å²	53.1	59%	0.588	29%	0.285	S	S	*	.	H	α-helix	trans	-97.4	-45.1	-165	-61.2	-37.8	0	0	0	113.6	S548 Y549	S548-N552 WeakPolarHBondContact O-CB 3.07Å; S548-N552 PolarHBondContact O-N 2.98Å; S548-N552 PolarHBondContact O-ND2 3.42Å; S548-N552 PolarHBondContact OG-ND2 3.02Å; Y549-N552 PolarHBondContact O-N 3.48Å
553	D	89.4	Confident	91.7	Very high	115 Å²	115	54.2 Å²	54.2	62%	0.615	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	-24.7	-159.5	-55.8	-60.6	0	0	0	113.2	Y549	Y549-D553 HydrophobicContact CD2-CB 3.64Å; Y549-D553 HydrophobicContact CE2-CB 3.64Å; Y549-D553 PolarHBondContact O-N 3.32Å
554	W	92	Very high	91.6	Very high	30 Å²	30	54.4 Å²	54.4	11%	0.114	29%	0.293	C	S	.	.			trans	-84.2	142.5	-174.8	-170.6	75.9	0	0	0	113.7	W458 Y549 L550 P556 I571 K733	W458-W554 AromaticContact CD1-CH2 3.75Å; W458-W554 AromaticContact CD1-CZ3 3.69Å; W458-W554 HydrophobicContact CD2-CH2 4.4Å; W458-W554 HydrophobicContact CG-CH2 4.27Å; W458-W554 HydrophobicContact CG-CZ3 4.47Å; W458-W554 AromaticContact NE1-CH2 3.59Å; W458-W554 AromaticContact NE1-CZ3 3.83Å; Y549-W554 HydrophobicContact CD1-CB 3.93Å; Y549-W554 HydrophobicContact CD1-CG 4.41Å; Y549-W554 HydrophobicContact CE1-CB 3.61Å; Y549-W554 AromaticContact CE1-CD1 3.45Å; Y549-W554 VanDerWaalsContact CE1-CD1 3.45Å; Y549-W554 AromaticContact CE1-CG 3.82Å; Y549-W554 HydrophobicContact CE1-CG 3.82Å; Y549-W554 AromaticContact CZ-CD1 3.95Å; Y549-W554 PolarHBondContact O-N 3.48Å; L550-W554 HydrophobicContact CD2-CB 4.01Å; L550-W554 HydrophobicContact CD2-CD2 3.56Å; L550-W554 HydrophobicContact CD2-CE3 3.44Å; L550-W554 VanDerWaalsContact CD2-CE3 3.44Å; L550-W554 HydrophobicContact CD2-CG 3.83Å; L550-W554 HydrophobicContact CD2-CZ3 4.08Å; W554-P556 HydrophobicContact CH2-CB 3.82Å; W554-P556 HydrophobicContact CH2-CG 4.43Å; W554-P556 HydrophobicContact CZ2-CB 4.18Å; W554-P556 HydrophobicContact CZ3-CB 4.4Å; W554-I571 HydrophobicContact CH2-CD1 4.15Å; W554-I571 HydrophobicContact CZ2-CD1 3.56Å; W554-I571 HydrophobicContact CZ2-CG1 3.88Å; W554-K733 HydrophobicContact CE3-CB 3.96Å; W554-K733 HydrophobicContact CZ3-CB 4.04Å
555	A	86.7	Confident	91.6	Very high	68 Å²	68	52.1 Å²	52.1	56%	0.562	28%	0.28	S	S	*	.			trans	-140.3	144.2	165.4	0	0	0	0	0	109.5	K557	A555-K557 PolarHBondContact O-N 2.86Å
556	P	83.6	Confident	91.5	Very high	60 Å²	60	48.4 Å²	48.4	39%	0.39	26%	0.26	S	S	.	.			trans	-63.3	130.5	177.4	26.4	-33.6	0	0	0	110.4	W554	W554-P556 HydrophobicContact CH2-CB 3.82Å; W554-P556 HydrophobicContact CH2-CG 4.43Å; W554-P556 HydrophobicContact CZ2-CB 4.18Å; W554-P556 HydrophobicContact CZ3-CB 4.4Å
557	K	83	Confident	91.4	Very high	186 Å²	186	49.4 Å²	49.4	81%	0.809	27%	0.265	S	S	*	.	S	Bend	trans	-74.5	-34.9	178.3	-68.8	-179.1	-179.9	174.8	0	111.8	A555	A555-K557 PolarHBondContact O-N 2.86Å
558	T	84.5	Confident	91.4	Very high	53 Å²	53	49.3 Å²	49.3	33%	0.325	26%	0.264	S	S	.	.	S	Bend	trans	-118.1	151.2	177.7	56.5	0	0	0	0	109	F560	T558-F560 PolarHBondContact O-N 3.24Å; T558-F560 PolarHBondContact OG1-O 3.25Å
559	P	88.1	Confident	91.4	Very high	53 Å²	53	46.6 Å²	46.6	34%	0.344	25%	0.246	S	C	.	.	S	Bend	trans	-77.9	-9.2	173.1	33	-34.8	0	0	0	112.3	F729 N730	P559-F729 HydrophobicContact CB-CD2 4.2Å; P559-F729 HydrophobicContact CB-CE2 3.79Å; P559-F729 HydrophobicContact CB-CZ 4.44Å; P559-F729 HydrophobicContact CG-CE2 4.02Å; P559-F729 CarbonylContact O-C 3.39Å; P559-F729 WeakPolarHBondContact O-CA 3.27Å; P559-N730 VanDerWaalsContact CB-OD1 3.23Å; P559-N730 WeakPolarHBondContact CB-OD1 3.4Å; P559-N730 PolarHBondContact O-N 2.79Å
560	F	91.3	Very high	91.3	Very high	72 Å²	72	46.5 Å²	46.5	32%	0.316	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.9	-175.7	-62.2	-77	0	0	0	110.8	T558 I562 G728 F729 M773	T558-F560 PolarHBondContact O-N 3.24Å; T558-F560 PolarHBondContact OG1-O 3.25Å; F560-I562 HydrophobicContact CB-CG1 4.34Å; F560-G728 WeakPolarHBondContact CA-O 3.26Å; F560-F729 AromaticContact CD1-CD2 3.76Å; F560-F729 HydrophobicContact CD1-CD2 3.76Å; F560-F729 HydrophobicContact CD1-CE2 4.31Å; F560-F729 AromaticContact CE1-CD2 3.58Å; F560-F729 HydrophobicContact CE1-CD2 3.58Å; F560-F729 AromaticContact CE1-CE2 3.81Å; F560-F729 HydrophobicContact CE1-CE2 3.81Å; F560-F729 HydrophobicContact CG-CD2 4.5Å; F560-F729 HydrophobicContact CZ-CD2 4.18Å; F560-F729 AromaticContact CZ-CE2 3.93Å; F560-F729 HydrophobicContact CZ-CE2 3.93Å; F560-M773 HydrophobicContact CE1-CE 3.9Å; F560-M773 HydrophobicContact CE1-SD 4.07Å
561	T	93.4	Very high	91.3	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	109.8	168.4	-66.9	0	0	0	0	107.5	W455 A456 W458 E567 G728 F731	W455-T561 HydrophobicContact CH2-CG2 3.41Å; W455-T561 VanDerWaalsContact CH2-CG2 3.41Å; W455-T561 HydrophobicContact CZ2-CG2 4.02Å; W455-T561 HydrophobicContact CZ3-CG2 3.76Å; A456-T561 HydrophobicContact CB-CG2 3.9Å; W458-T561 HydrophobicContact CH2-CG2 3.47Å; W458-T561 VanDerWaalsContact CH2-CG2 3.47Å; W458-T561 VanDerWaalsContact CH2-OG1 3.24Å; W458-T561 WeakPolarHBondContact CH2-OG1 3.34Å; W458-T561 HydrophobicContact CZ2-CG2 4.27Å; W458-T561 WeakPolarHBondContact CZ2-OG1 3.29Å; W458-T561 HydrophobicContact CZ3-CG2 4.31Å; T561-E567 WeakPolarHBondContact CA-OE1 3.09Å; T561-E567 WeakPolarHBondContact CG2-OE2 3.3Å; T561-G728 PolarHBondContact N-O 3.06Å; T561-G728 PolarHBondContact O-N 3.41Å; T561-F731 HydrophobicContact CG2-CD2 4.17Å; T561-F731 HydrophobicContact CG2-CE2 4.05Å; T561-F731 WeakPolarHBondContact OG1-CD2 3.47Å
562	I	91.8	Very high	91.6	Very high	32 Å²	32	43.7 Å²	43.7	16%	0.164	24%	0.236	C	C	.	.	S	Bend	trans	-107.9	-58.6	-173.7	-66.2	178	0	0	0	109.3	V517 F560 E567 Y727	V517-I562 HydrophobicContact CB-CG2 4.48Å; V517-I562 HydrophobicContact CG1-CG2 3.91Å; V517-I562 WeakPolarHBondContact O-CG2 3.47Å; F560-I562 HydrophobicContact CB-CG1 4.34Å; I562-E567 PolarHBondContact N-OE1 2.84Å; I562-Y727 HydrophobicContact CB-CD1 4.46Å; I562-Y727 HydrophobicContact CB-CE1 4.32Å; I562-Y727 HydrophobicContact CD1-CE2 4.49Å; I562-Y727 HydrophobicContact CG1-CD2 4.13Å; I562-Y727 HydrophobicContact CG1-CE2 4.08Å; I562-Y727 HydrophobicContact CG1-CG 4.4Å; I562-Y727 HydrophobicContact CG2-CD1 4.33Å; I562-Y727 HydrophobicContact CG2-CE1 3.71Å; I562-Y727 HydrophobicContact CG2-CE2 4.2Å
563	D	93.4	Very high	91.7	Very high	22 Å²	22	40.5 Å²	40.5	12%	0.118	22%	0.218	C	C	.	.			trans	-122.7	95.5	177.9	-173	1.6	0	0	0	110.6	V517 H518 Q565 F566 E567	V517-D563 HydrophobicContact CG1-CB 3.86Å; H518-D563 IonicContact CD2-OD2 3.7Å; H518-D563 IonicContact CE1-OD2 2.76Å; H518-D563 IonicContact NE2-OD2 3.04Å; H518-D563 PolarHBondContact NE2-OD2 2.84Å; D563-Q565 PolarHBondContact O-N 2.89Å; D563-Q565 VanDerWaalsContact O-N 3.14Å; D563-Q565 WeakPolarHBondContact OD1-CG 3.39Å; D563-Q565 PolarHBondContact OD1-N 2.82Å; D563-Q565 VanDerWaalsContact OD1-N 3.1Å; D563-Q565 PolarHBondContact OD1-NE2 2.72Å; D563-Q565 PolarHBondContact OD2-NE2 2.72Å; D563-F566 HydrophobicContact CB-CB 4.17Å; D563-F566 PolarHBondContact O-N 3.4Å; D563-E567 PolarHBondContact N-OE1 2.99Å; D563-E567 WeakPolarHBondContact O-CB 3.24Å; D563-E567 VanDerWaalsContact O-CG 3.27Å; D563-E567 WeakPolarHBondContact O-CG 3.4Å; D563-E567 PolarHBondContact O-N 2.86Å
564	A	93.9	Very high	91.9	Very high	5 Å²	5	38 Å²	38	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-53.8	-34	179	0	0	0	0	0	113.4	W455 A456 Y532 L568	W455-A564 HydrophobicContact CE3-CB 3.98Å; W455-A564 HydrophobicContact CZ3-CB 3.92Å; A456-A564 HydrophobicContact CB-CB 4.28Å; Y532-A564 HydrophobicContact CE2-CB 3.88Å; Y532-A564 PolarHBondContact OH-O 3.5Å; A564-L568 VanDerWaalsContact O-CB 3.26Å; A564-L568 WeakPolarHBondContact O-CB 3.49Å; A564-L568 PolarHBondContact O-N 2.86Å
565	Q	95.5	Very high	92	Very high	15 Å²	15	39.4 Å²	39.4	7%	0.07	22%	0.218	C	C	.	.	H	α-helix	trans	-73.9	-40.2	-174.4	87	-158.4	-24.1	0	0	111.2	Y529 P530 Y532 D563 A569 L804	Y529-Q565 HydrophobicContact CD2-CG 3.64Å; Y529-Q565 HydrophobicContact CE2-CG 4.08Å; P530-Q565 WeakPolarHBondContact O-CB 3.43Å; P530-Q565 WeakPolarHBondContact O-CG 3.46Å; P530-Q565 PolarHBondContact O-OE1 3.19Å; Y532-Q565 HydrophobicContact CD1-CB 3.4Å; Y532-Q565 HydrophobicContact CD2-CB 4.12Å; Y532-Q565 VanDerWaalsContact CE1-CA 3.44Å; Y532-Q565 HydrophobicContact CE1-CB 3.38Å; Y532-Q565 HydrophobicContact CE2-CB 4.11Å; Y532-Q565 HydrophobicContact CG-CB 3.79Å; Y532-Q565 VanDerWaalsContact CZ-CA 3.48Å; D563-Q565 PolarHBondContact O-N 2.89Å; D563-Q565 VanDerWaalsContact O-N 3.14Å; D563-Q565 WeakPolarHBondContact OD1-CG 3.39Å; D563-Q565 PolarHBondContact OD1-N 2.82Å; D563-Q565 VanDerWaalsContact OD1-N 3.1Å; D563-Q565 PolarHBondContact OD1-NE2 2.72Å; D563-Q565 PolarHBondContact OD2-NE2 2.72Å; Q565-A569 PolarHBondContact O-N 3.1Å; Q565-L804 VanDerWaalsContact NE2-CD1 3.28Å
566	F	95	Very high	92.4	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.031	22%	0.224	C	C	.	.	H	α-helix	trans	-69.4	-45.8	172.8	-177.4	-85.7	0	0	0	111.2	H518 Y521 L527 Y529 D563 L568 A569 L570	H518-F566 HydrophobicContact CB-CD1 3.94Å; H518-F566 HydrophobicContact CB-CD2 3.97Å; H518-F566 HydrophobicContact CB-CE1 3.8Å; H518-F566 HydrophobicContact CB-CE2 3.82Å; H518-F566 HydrophobicContact CB-CG 4.04Å; H518-F566 HydrophobicContact CB-CZ 3.75Å; H518-F566 WeakPolarHBondContact CD2-CB 3.22Å; H518-F566 AromaticContact CD2-CD1 3.85Å; H518-F566 AromaticContact CD2-CD2 3.55Å; H518-F566 AromaticContact CD2-CG 3.3Å; H518-F566 WeakPolarHBondContact CD2-CG 3.33Å; H518-F566 AromaticContact CE1-CD2 3.73Å; H518-F566 AromaticContact CG-CD1 3.99Å; H518-F566 AromaticContact CG-CD2 3.44Å; H518-F566 VanDerWaalsContact CG-CD2 3.44Å; H518-F566 AromaticContact CG-CE2 3.75Å; H518-F566 AromaticContact CG-CG 3.59Å; H518-F566 AromaticContact ND1-CD2 3.6Å; H518-F566 AromaticContact ND1-CE2 3.88Å; H518-F566 AromaticContact NE2-CD2 3.72Å; H518-F566 AromaticContact NE2-CG 3.73Å; Y521-F566 AromaticContact CD1-CZ 3.92Å; Y521-F566 HydrophobicContact CD1-CZ 3.92Å; Y521-F566 HydrophobicContact CD2-CZ 4.18Å; Y521-F566 HydrophobicContact CG-CE1 4.37Å; Y521-F566 AromaticContact CG-CZ 3.66Å; Y521-F566 HydrophobicContact CG-CZ 3.66Å; L527-F566 HydrophobicContact CB-CE2 4.23Å; L527-F566 HydrophobicContact CB-CZ 4.5Å; L527-F566 HydrophobicContact CD2-CD2 4.3Å; L527-F566 HydrophobicContact CD2-CE1 4.16Å; L527-F566 HydrophobicContact CD2-CE2 3.83Å; L527-F566 HydrophobicContact CD2-CZ 3.73Å; L527-F566 HydrophobicContact CG-CE2 4.4Å; Y529-F566 AromaticContact CD1-CD2 3.58Å; Y529-F566 HydrophobicContact CD1-CD2 3.58Å; Y529-F566 HydrophobicContact CD1-CE2 4.25Å; Y529-F566 AromaticContact CE1-CD2 3.98Å; Y529-F566 HydrophobicContact CE1-CD2 3.98Å; Y529-F566 HydrophobicContact CG-CB 4.42Å; Y529-F566 HydrophobicContact CG-CD2 4.13Å; D563-F566 HydrophobicContact CB-CB 4.17Å; D563-F566 PolarHBondContact O-N 3.4Å; F566-L568 VanDerWaalsContact C-N 3.34Å; F566-L568 PolarHBondContact O-N 2.97Å; F566-A569 WeakPolarHBondContact O-CB 3.41Å; F566-A569 PolarHBondContact O-N 3.36Å; F566-A569 VanDerWaalsContact O-N 3.1Å; F566-L570 PolarHBondContact O-N 3.3Å
567	E	94	Very high	93	Very high	23 Å²	23	37 Å²	37	11%	0.107	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-41.1	-179.9	-72.3	169.4	-156.4	0	0	111.7	W458 T561 I562 D563 A569 L570 I571	W458-E567 HydrophobicContact CH2-CB 4.46Å; W458-E567 WeakPolarHBondContact CH2-OE2 3.49Å; W458-E567 HydrophobicContact CZ3-CB 3.85Å; W458-E567 WeakPolarHBondContact CZ3-OE2 3.49Å; T561-E567 WeakPolarHBondContact CA-OE1 3.09Å; T561-E567 WeakPolarHBondContact CG2-OE2 3.3Å; I562-E567 PolarHBondContact N-OE1 2.84Å; D563-E567 PolarHBondContact N-OE1 2.99Å; D563-E567 WeakPolarHBondContact O-CB 3.24Å; D563-E567 VanDerWaalsContact O-CG 3.27Å; D563-E567 WeakPolarHBondContact O-CG 3.4Å; D563-E567 PolarHBondContact O-N 2.86Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.3Å; E567-L570 PolarHBondContact O-N 3.09Å; E567-I571 VanDerWaalsContact O-CG1 3.24Å; E567-I571 WeakPolarHBondContact O-CG1 3.37Å; E567-I571 PolarHBondContact O-N 2.9Å
568	L	95.6	Very high	93.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173.1	178.7	65.8	0	0	0	111.8	V457 F504 Y532 F536 L546 A564 F566 L570 I571 A572	V457-L568 HydrophobicContact CB-CD2 4.3Å; V457-L568 HydrophobicContact CG1-CD1 4.15Å; V457-L568 HydrophobicContact CG1-CD2 4.05Å; F504-L568 HydrophobicContact CZ-CD2 4.21Å; F504-L568 HydrophobicContact CZ-CG 4.39Å; Y532-L568 HydrophobicContact CE1-CD2 4.15Å; Y532-L568 WeakPolarHBondContact OH-CD2 3.36Å; F536-L568 HydrophobicContact CE1-CD2 4.03Å; F536-L568 HydrophobicContact CE2-CD2 3.68Å; F536-L568 HydrophobicContact CZ-CD2 3.41Å; F536-L568 VanDerWaalsContact CZ-CD2 3.41Å; L546-L568 HydrophobicContact CD2-CD1 4.06Å; A564-L568 VanDerWaalsContact O-CB 3.26Å; A564-L568 WeakPolarHBondContact O-CB 3.49Å; A564-L568 PolarHBondContact O-N 2.86Å; F566-L568 VanDerWaalsContact C-N 3.34Å; F566-L568 PolarHBondContact O-N 2.97Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L568-I571 PolarHBondContact O-N 2.94Å; L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 2.88Å
569	A	96.3	Very high	94.2	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-39.2	177.7	0	0	0	0	0	111.8	L527 Q565 F566 E567 I571 A572 Q573	L527-A569 HydrophobicContact CD1-CB 4.3Å; L527-A569 HydrophobicContact CD2-CB 4.1Å; L527-A569 HydrophobicContact CG-CB 4.24Å; Q565-A569 PolarHBondContact O-N 3.1Å; F566-A569 WeakPolarHBondContact O-CB 3.41Å; F566-A569 PolarHBondContact O-N 3.36Å; F566-A569 VanDerWaalsContact O-N 3.1Å; E567-A569 VanDerWaalsContact C-N 3.33Å; E567-A569 PolarHBondContact O-N 3.3Å; A569-I571 PolarHBondContact O-N 3.39Å; A569-A572 PolarHBondContact O-N 3.36Å; A569-Q573 WeakPolarHBondContact O-CB 3.31Å; A569-Q573 PolarHBondContact O-N 2.86Å
570	L	93.5	Very high	94.6	Very high	47 Å²	47	31.4 Å²	31.4	25%	0.246	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-39.9	176.2	-174.5	65.9	0	0	0	111.8	Y521 L527 F566 E567 L568 S574	Y521-L570 HydrophobicContact CD2-CD1 4.18Å; Y521-L570 HydrophobicContact CE2-CD1 3.57Å; L527-L570 HydrophobicContact CD2-CB 4Å; L527-L570 HydrophobicContact CD2-CD1 4.23Å; F566-L570 PolarHBondContact O-N 3.3Å; E567-L570 PolarHBondContact O-N 3.09Å; L568-L570 VanDerWaalsContact C-N 3.33Å; L570-S574 PolarHBondContact O-N 3.45Å
571	I	94.7	Very high	94.9	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.041	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-46.4	173.6	-61.5	166.9	0	0	0	109.9	W458 L546 Y549 L550 W554 E567 L568 A569 Q573 S574	W458-I571 HydrophobicContact CB-CD1 3.96Å; W458-I571 HydrophobicContact CD2-CD1 3.94Å; W458-I571 HydrophobicContact CE3-CD1 3.89Å; W458-I571 HydrophobicContact CG-CD1 3.95Å; L546-I571 HydrophobicContact CD1-CG2 3.61Å; Y549-I571 HydrophobicContact CD1-CG2 4.21Å; Y549-I571 HydrophobicContact CE1-CG2 4.15Å; L550-I571 HydrophobicContact CD2-CG2 3.95Å; W554-I571 HydrophobicContact CH2-CD1 4.15Å; W554-I571 HydrophobicContact CZ2-CD1 3.56Å; W554-I571 HydrophobicContact CZ2-CG1 3.88Å; E567-I571 VanDerWaalsContact O-CG1 3.24Å; E567-I571 WeakPolarHBondContact O-CG1 3.37Å; E567-I571 PolarHBondContact O-N 2.9Å; L568-I571 PolarHBondContact O-N 2.94Å; A569-I571 PolarHBondContact O-N 3.39Å; I571-Q573 PolarHBondContact O-N 2.82Å; I571-S574 WeakPolarHBondContact O-CB 3.47Å; I571-S574 PolarHBondContact O-N 3.39Å; I571-S574 PolarHBondContact O-OG 2.86Å
572	A	96.3	Very high	94.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.008	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-43.6	178.8	0	0	0	0	0	111.9	F504 L568 A569 S574 I575 L577	F504-A572 HydrophobicContact CD1-CB 3.92Å; F504-A572 HydrophobicContact CE1-CB 3.9Å; L568-A572 WeakPolarHBondContact O-CB 3.46Å; L568-A572 PolarHBondContact O-N 2.88Å; A569-A572 PolarHBondContact O-N 3.36Å; A572-S574 PolarHBondContact O-N 3.18Å; A572-I575 WeakPolarHBondContact O-CG1 3.23Å; A572-I575 PolarHBondContact O-N 2.68Å; A572-I575 VanDerWaalsContact O-N 3.11Å; A572-L577 CarbonylContact C-O 3.52Å; A572-L577 HydrophobicContact CB-CB 4.1Å; A572-L577 HydrophobicContact CB-CD2 4.07Å; A572-L577 HydrophobicContact CB-CG 4.17Å; A572-L577 VanDerWaalsContact CB-O 3.31Å; A572-L577 WeakPolarHBondContact CB-O 3.48Å; A572-L577 WeakPolarHBondContact O-CB 3.42Å; A572-L577 PolarHBondContact O-N 2.76Å
573	Q	94.3	Very high	94.8	Very high	43 Å²	43	34.1 Å²	34.1	20%	0.201	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-33.7	178.2	-167.7	-170.1	20.9	0	0	112.3	Y521 L527 A569 I571 I575 G576 L577	Y521-Q573 PolarHBondContact OH-OE1 2.83Å; Y521-Q573 VanDerWaalsContact OH-OE1 3.06Å; L527-Q573 HydrophobicContact CD1-CB 4.15Å; L527-Q573 HydrophobicContact CD1-CG 4.32Å; A569-Q573 WeakPolarHBondContact O-CB 3.31Å; A569-Q573 PolarHBondContact O-N 2.86Å; I571-Q573 PolarHBondContact O-N 2.82Å; Q573-I575 PolarHBondContact O-N 2.95Å; Q573-I575 VanDerWaalsContact O-N 3.13Å; Q573-G576 PolarHBondContact O-N 3.03Å; Q573-L577 PolarHBondContact N-O 3.48Å
574	S	92.3	Very high	94.7	Very high	62 Å²	62	33.9 Å²	33.9	43%	0.434	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.6	179.4	76.2	0	0	0	0	114.5	Y549 L570 I571 A572	Y549-S574 WeakPolarHBondContact CE1-OG 3.37Å; Y549-S574 PolarHBondContact OH-OG 2.82Å; L570-S574 PolarHBondContact O-N 3.45Å; I571-S574 WeakPolarHBondContact O-CB 3.47Å; I571-S574 PolarHBondContact O-N 3.39Å; I571-S574 PolarHBondContact O-OG 2.86Å; A572-S574 PolarHBondContact O-N 3.18Å
575	I	95.2	Very high	94.7	Very high	61 Å²	61	33.7 Å²	33.7	31%	0.313	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	13.1	173	61.4	168.3	0	0	0	112.9	N545 L546 Y549 A572 Q573 L577	N545-I575 HydrophobicContact CB-CD1 4.18Å; L546-I575 HydrophobicContact CB-CD1 4.4Å; L546-I575 HydrophobicContact CD1-CD1 4.31Å; Y549-I575 HydrophobicContact CD1-CG2 3.59Å; Y549-I575 HydrophobicContact CD2-CG2 3.38Å; Y549-I575 HydrophobicContact CE1-CG2 4.03Å; Y549-I575 HydrophobicContact CE2-CG2 3.86Å; Y549-I575 HydrophobicContact CG-CG2 3.24Å; A572-I575 WeakPolarHBondContact O-CG1 3.23Å; A572-I575 PolarHBondContact O-N 2.68Å; A572-I575 VanDerWaalsContact O-N 3.11Å; Q573-I575 PolarHBondContact O-N 2.95Å; Q573-I575 VanDerWaalsContact O-N 3.13Å; I575-L577 VanDerWaalsContact C-N 3.29Å; I575-L577 HydrophobicContact CD1-CB 4.27Å; I575-L577 HydrophobicContact CG1-CB 3.98Å; I575-L577 PolarHBondContact O-N 3.39Å
576	G	94.5	Very high	94.5	Very high	65 Å²	65	33.1 Å²	33.1	67%	0.67	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	15.2	-177.5	0	0	0	0	0	114.4	Q573 E578	Q573-G576 PolarHBondContact O-N 3.03Å; G576-E578 PolarHBondContact O-N 3.04Å
577	L	96.3	Very high	94	Very high	11 Å²	11	34 Å²	34	6%	0.058	20%	0.204	C	C	.	.			trans	-90.9	93.4	176	-178.9	65.6	0	0	0	109.4	A502 F504 A542 A572 Q573 I575	A502-L577 HydrophobicContact CB-CD1 4.12Å; F504-L577 HydrophobicContact CB-CD1 3.81Å; F504-L577 HydrophobicContact CB-CD2 4.07Å; F504-L577 HydrophobicContact CB-CG 3.77Å; F504-L577 HydrophobicContact CD1-CG 4.37Å; A542-L577 HydrophobicContact CB-CD1 4.01Å; A542-L577 HydrophobicContact CB-CD2 3.85Å; A572-L577 CarbonylContact C-O 3.52Å; A572-L577 HydrophobicContact CB-CB 4.1Å; A572-L577 HydrophobicContact CB-CD2 4.07Å; A572-L577 HydrophobicContact CB-CG 4.17Å; A572-L577 VanDerWaalsContact CB-O 3.31Å; A572-L577 WeakPolarHBondContact CB-O 3.48Å; A572-L577 WeakPolarHBondContact O-CB 3.42Å; A572-L577 PolarHBondContact O-N 2.76Å; Q573-L577 PolarHBondContact N-O 3.48Å; I575-L577 VanDerWaalsContact C-N 3.29Å; I575-L577 HydrophobicContact CD1-CB 4.27Å; I575-L577 HydrophobicContact CG1-CB 3.98Å; I575-L577 PolarHBondContact O-N 3.39Å
578	E	95.5	Very high	93.1	Very high	105 Å²	105	35 Å²	35	49%	0.491	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-82.5	145.1	174.4	-63.1	-166.4	160.6	0	0	111.6	K525 G576 T580	K525-E578 IonicContact NZ-OE1 2.86Å; K525-E578 PolarHBondContact NZ-OE1 3.4Å; K525-E578 IonicContact NZ-OE2 2.79Å; K525-E578 PolarHBondContact NZ-OE2 2.76Å; G576-E578 PolarHBondContact O-N 3.04Å; E578-T580 PolarHBondContact O-N 2.9Å
579	L	97.5	Very high	91.7	Very high	12 Å²	12	42.1 Å²	42.1	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	129.3	172.4	-177.1	74.1	0	0	0	110.4	F504 A508 L528 P530	F504-L579 HydrophobicContact CD1-CB 4.1Å; F504-L579 HydrophobicContact CD1-CD1 3.95Å; F504-L579 HydrophobicContact CD2-CD1 3.62Å; F504-L579 HydrophobicContact CE1-CB 4.25Å; F504-L579 HydrophobicContact CE1-CD1 3.95Å; F504-L579 HydrophobicContact CE2-CD1 3.62Å; F504-L579 HydrophobicContact CG-CD1 3.81Å; F504-L579 HydrophobicContact CZ-CD1 3.81Å; A508-L579 HydrophobicContact CB-CD2 3.71Å; A508-L579 HydrophobicContact CB-CG 4.49Å; L528-L579 HydrophobicContact CB-CB 4.26Å; L528-L579 HydrophobicContact CB-CD2 4.3Å; P530-L579 HydrophobicContact CB-CD1 4.11Å; P530-L579 HydrophobicContact CB-CD2 4.17Å
580	T	96.9	Very high	90.1	Very high	58 Å²	58	49.4 Å²	49.4	36%	0.356	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.1	170.3	-55.1	0	0	0	0	109.4	F504 L505 G506 E578 T582	F504-T580 PolarHBondContact O-N 3.11Å; L505-T580 HydrophobicContact CD2-CG2 4.15Å; G506-T580 PolarHBondContact N-O 2.95Å; E578-T580 PolarHBondContact O-N 2.9Å; T580-T582 PolarHBondContact O-N 2.65Å; T580-T582 PolarHBondContact O-OG1 3.36Å
581	D	96.6	Very high	89.2	Confident	77 Å²	77	51.8 Å²	51.8	41%	0.412	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	123.2	176.6	-174.4	34.3	0	0	0	111	G506 A508	G506-D581 CarbonylContact O-C 3.57Å; G506-D581 WeakPolarHBondContact O-CA 3.1Å; A508-D581 HydrophobicContact CB-CB 3.6Å; A508-D581 WeakPolarHBondContact CB-OD1 2.98Å; A508-D581 PolarHBondContact N-OD1 3.37Å
582	T	94.8	Very high	88.5	Confident	7 Å²	7	56.7 Å²	56.7	4%	0.043	32%	0.318	C	S	.	.			trans	-119.7	90.2	-177.4	-55.4	0	0	0	0	108.4	V493 G506 T580 S584 F585	V493-T582 HydrophobicContact CG1-CG2 4.06Å; G506-T582 PolarHBondContact O-N 3.48Å; T580-T582 PolarHBondContact O-N 2.65Å; T580-T582 PolarHBondContact O-OG1 3.36Å; T582-S584 WeakPolarHBondContact CG2-OG 3.46Å; T582-S584 PolarHBondContact O-N 3.4Å; T582-F585 HydrophobicContact CG2-CD1 3.79Å; T582-F585 HydrophobicContact CG2-CD2 4.37Å; T582-F585 HydrophobicContact CG2-CE1 3.76Å; T582-F585 HydrophobicContact CG2-CE2 4.32Å; T582-F585 HydrophobicContact CG2-CG 4.08Å; T582-F585 HydrophobicContact CG2-CZ 4.01Å; T582-F585 WeakPolarHBondContact O-CB 3.21Å; T582-F585 PolarHBondContact O-N 2.8Å
583	T	89.2	Confident	88	Confident	84 Å²	84	60.2 Å²	60.2	52%	0.515	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.2	-172.7	59.5	0	0	0	0	114.4	F585 R591	T583-F585 VanDerWaalsContact C-N 3.28Å; T583-R591 PolarHBondContact O-NH1 3.49Å; T583-R591 PolarHBondContact O-NH2 3.38Å
584	S	91.5	Very high	87.8	Confident	17 Å²	17	58.3 Å²	58.3	12%	0.119	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.5	173.7	60.8	0	0	0	0	112.8	T582 C594 V595	T582-S584 WeakPolarHBondContact CG2-OG 3.46Å; T582-S584 PolarHBondContact O-N 3.4Å; S584-C594 CarbonylContact O-C 3.59Å; S584-C594 WeakPolarHBondContact O-CA 3.06Å; S584-V595 PolarHBondContact O-N 3.38Å
585	F	94.1	Very high	87.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-85	114.7	169.8	-64.4	4.3	0	0	0	107.6	F477 L490 V493 L505 H507 A534 A537 T582 T583 V595 T596	F477-F585 HydrophobicContact CE2-CD2 4.36Å; F477-F585 HydrophobicContact CE2-CE1 4.26Å; F477-F585 AromaticContact CE2-CE2 3.64Å; F477-F585 HydrophobicContact CE2-CE2 3.64Å; F477-F585 AromaticContact CE2-CZ 3.6Å; F477-F585 HydrophobicContact CE2-CZ 3.6Å; F477-F585 HydrophobicContact CZ-CE2 4.23Å; F477-F585 HydrophobicContact CZ-CZ 4.36Å; L490-F585 HydrophobicContact CD1-CE1 3.98Å; L490-F585 HydrophobicContact CD1-CZ 4.05Å; V493-F585 HydrophobicContact CG1-CE1 4.37Å; L505-F585 HydrophobicContact CB-CE2 4.3Å; H507-F585 HydrophobicContact CB-CB 4.31Å; H507-F585 WeakPolarHBondContact CB-O 3.27Å; A534-F585 HydrophobicContact CB-CB 4.12Å; A537-F585 HydrophobicContact CB-CE2 4.48Å; T582-F585 HydrophobicContact CG2-CD1 3.79Å; T582-F585 HydrophobicContact CG2-CD2 4.37Å; T582-F585 HydrophobicContact CG2-CE1 3.76Å; T582-F585 HydrophobicContact CG2-CE2 4.32Å; T582-F585 HydrophobicContact CG2-CG 4.08Å; T582-F585 HydrophobicContact CG2-CZ 4.01Å; T582-F585 WeakPolarHBondContact O-CB 3.21Å; T582-F585 PolarHBondContact O-N 2.8Å; T583-F585 VanDerWaalsContact C-N 3.28Å; F585-V595 HydrophobicContact CD1-CB 4.03Å; F585-V595 HydrophobicContact CD1-CG1 4.3Å; F585-V595 HydrophobicContact CD1-CG2 4.39Å; F585-V595 HydrophobicContact CE1-CB 4.35Å; F585-V595 HydrophobicContact CE1-CG1 4.24Å; F585-V595 HydrophobicContact CE1-CG2 4.48Å; F585-T596 VanDerWaalsContact CA-OG1 3.27Å; F585-T596 WeakPolarHBondContact CA-OG1 3.41Å
586	C	90.3	Very high	87.7	Confident	3 Å²	3	52.6 Å²	52.6	2%	0.02	29%	0.293	C	S	.	.			trans	-118.4	150.2	-169.1	-49.7	0	0	0	0	112.8	R591 C594 T596	C586-R591 VanDerWaalsContact SG-CZ 3.54Å; C586-R591 PolarHBondContact SG-NH2 3.19Å; C586-C594 HydrophobicContact CB-CB 3.75Å; C586-C594 WeakPolarHBondContact CB-SG 3.43Å; C586-C594 WeakPolarHBondContact SG-CA 3.46Å; C586-C594 WeakPolarHBondContact SG-CB 2.75Å; C586-C594 CovalentContact SG-SG 2.02Å; C586-C594 PolarHBondContact SG-SG 3.49Å; C586-T596 CarbonylContact C-O 3.5Å; C586-T596 WeakPolarHBondContact CB-O 3.4Å; C586-T596 PolarHBondContact N-O 3.01Å; C586-T596 PolarHBondContact N-OG1 2.92Å; C586-T596 CarbonylContact O-C 3.53Å; C586-T596 VanDerWaalsContact O-O 3.08Å
587	T	84.7	Confident	87.2	Confident	26 Å²	26	51.8 Å²	51.8	16%	0.16	27%	0.272	C	S	.	.	S	Bend	trans	-102.8	-10.9	173.8	57.4	0	0	0	0	113	N531 R533 A534 H598	N531-T587 HydrophobicContact CB-CG2 4.35Å; N531-T587 WeakPolarHBondContact ND2-CG2 3.44Å; R533-T587 HydrophobicContact CB-CG2 4.46Å; A534-T587 HydrophobicContact CB-CG2 3.95Å; T587-H598 WeakPolarHBondContact O-CB 3.28Å
588	S	75.7	Confident	86.4	Confident	43 Å²	43	52.2 Å²	52.2	30%	0.301	27%	0.274	S	S	.	.	S	Bend	trans	-125.8	161.4	-175.8	-174	0	0	0	0	111.7	M590	S588-M590 PolarHBondContact O-N 3.46Å
589	F	66.3	Low	85.2	Confident	152 Å²	152	52 Å²	52	67%	0.667	27%	0.269	S	S	*	.	S	Bend	trans	-77.9	-8	-164.9	-179.3	-110.5	0	0	0	116.3
590	M	62.1	Low	83.4	Confident	155 Å²	155	58.5 Å²	58.5	76%	0.764	29%	0.293	S	S	*	.			trans	-118.2	28.2	-154.2	-65.7	-166.8	-71.8	0	0	117.6	S588	S588-M590 PolarHBondContact O-N 3.46Å
591	R	75.1	Confident	81.3	Confident	98 Å²	98	63.3 Å²	63.3	37%	0.37	31%	0.309	S	S	.	.			trans	-121.7	131	171	-45.7	-175	-87.9	136.1	-10.4	113.9	T583 C586 D593 C594	T583-R591 PolarHBondContact O-NH1 3.49Å; T583-R591 PolarHBondContact O-NH2 3.38Å; C586-R591 VanDerWaalsContact SG-CZ 3.54Å; C586-R591 PolarHBondContact SG-NH2 3.19Å; R591-D593 WeakPolarHBondContact CB-OD1 3.19Å; R591-D593 IonicContact NH1-OD2 3.72Å; R591-D593 PolarHBondContact NH1-OD2 2.95Å; R591-D593 PolarHBondContact O-N 2.91Å; R591-C594 VanDerWaalsContact CB-SG 3.57Å; R591-C594 WeakPolarHBondContact O-CB 3.24Å; R591-C594 PolarHBondContact O-N 3.33Å; R591-C594 VanDerWaalsContact O-N 3.17Å; R591-C594 PolarHBondContact O-SG 2.91Å
592	P	79.5	Confident	79.1	Confident	110 Å²	110	63.1 Å²	63.1	71%	0.714	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.6	179.4	-23.4	33	0	0	0	114.4	R489	R489-P592 PolarHBondContact NH1-O 3.19Å; R489-P592 PolarHBondContact NH2-O 3.32Å
593	D	86.3	Confident	76.9	Confident	76 Å²	76	65 Å²	65	41%	0.406	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-5.9	179.6	58.6	-55.8	0	0	0	113.9	R591 V595	R591-D593 WeakPolarHBondContact CB-OD1 3.19Å; R591-D593 IonicContact NH1-OD2 3.72Å; R591-D593 PolarHBondContact NH1-OD2 2.95Å; R591-D593 PolarHBondContact O-N 2.91Å; D593-V595 PolarHBondContact O-N 2.99Å
594	C	90.3	Very high	75.2	Confident	2 Å²	2	65.9 Å²	65.9	1%	0.014	34%	0.341	C	S	.	.			trans	-65	127.2	-178	-69.3	0	0	0	0	112.4	R489 S584 C586 R591 Q597	R489-C594 PolarHBondContact NH1-O 3.34Å; S584-C594 CarbonylContact O-C 3.59Å; S584-C594 WeakPolarHBondContact O-CA 3.06Å; C586-C594 HydrophobicContact CB-CB 3.75Å; C586-C594 WeakPolarHBondContact CB-SG 3.43Å; C586-C594 WeakPolarHBondContact SG-CA 3.46Å; C586-C594 WeakPolarHBondContact SG-CB 2.75Å; C586-C594 CovalentContact SG-SG 2.02Å; C586-C594 PolarHBondContact SG-SG 3.49Å; R591-C594 VanDerWaalsContact CB-SG 3.57Å; R591-C594 WeakPolarHBondContact O-CB 3.24Å; R591-C594 PolarHBondContact O-N 3.33Å; R591-C594 VanDerWaalsContact O-N 3.17Å; R591-C594 PolarHBondContact O-SG 2.91Å; C594-Q597 HydrophobicContact CB-CG 4.28Å
595	V	91.8	Very high	73.9	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.018	35%	0.345	C	S	.	.	S	Bend	trans	-82.8	-42.8	169.3	174.6	0	0	0	0	110.2	I485 D486 R489 L490 V493 S584 F585 D593	I485-V595 WeakPolarHBondContact CA-O 2.92Å; I485-V595 HydrophobicContact CG1-CG1 4.34Å; D486-V595 PolarHBondContact N-O 2.87Å; R489-V595 HydrophobicContact CB-CG2 3.92Å; L490-V595 HydrophobicContact CB-CG1 3.53Å; L490-V595 HydrophobicContact CD1-CG1 3.87Å; L490-V595 HydrophobicContact CG-CG1 4.3Å; V493-V595 HydrophobicContact CG2-CG2 3.82Å; S584-V595 PolarHBondContact O-N 3.38Å; F585-V595 HydrophobicContact CD1-CB 4.03Å; F585-V595 HydrophobicContact CD1-CG1 4.3Å; F585-V595 HydrophobicContact CD1-CG2 4.39Å; F585-V595 HydrophobicContact CE1-CB 4.35Å; F585-V595 HydrophobicContact CE1-CG1 4.24Å; F585-V595 HydrophobicContact CE1-CG2 4.48Å; D593-V595 PolarHBondContact O-N 2.99Å
596	T	93	Very high	72	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.1	179.8	53.8	0	0	0	0	111.3	F477 T483 R484 I485 A534 F585 C586	F477-T596 HydrophobicContact CE1-CG2 4.19Å; F477-T596 HydrophobicContact CZ-CG2 3.85Å; T483-T596 HydrophobicContact CG2-CG2 4.19Å; R484-T596 CarbonylContact O-C 3.6Å; R484-T596 VanDerWaalsContact O-CA 3.28Å; R484-T596 WeakPolarHBondContact O-CA 3.44Å; I485-T596 HydrophobicContact CB-CG2 4.4Å; I485-T596 HydrophobicContact CD1-CG2 4.21Å; I485-T596 HydrophobicContact CG1-CG2 4.06Å; A534-T596 WeakPolarHBondContact O-CB 3.29Å; A534-T596 VanDerWaalsContact O-CG2 3.23Å; A534-T596 WeakPolarHBondContact O-CG2 3Å; A534-T596 PolarHBondContact O-OG1 2.79Å; F585-T596 VanDerWaalsContact CA-OG1 3.27Å; F585-T596 WeakPolarHBondContact CA-OG1 3.41Å; C586-T596 CarbonylContact C-O 3.5Å; C586-T596 WeakPolarHBondContact CB-O 3.4Å; C586-T596 PolarHBondContact N-O 3.01Å; C586-T596 PolarHBondContact N-OG1 2.92Å; C586-T596 CarbonylContact O-C 3.53Å; C586-T596 VanDerWaalsContact O-O 3.08Å
597	Q	84.7	Confident	70.4	Confident	49 Å²	49	75.5 Å²	75.5	23%	0.229	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	133.9	176.5	-63.5	179.9	-5.1	0	0	109.9	R484 C594	R484-Q597 PolarHBondContact N-O 3.33Å; R484-Q597 PolarHBondContact O-N 2.93Å; C594-Q597 HydrophobicContact CB-CG 4.28Å
598	H	79.4	Confident	69.3	Low	20 Å²	20	78.7 Å²	78.7	9%	0.093	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	128.4	170.2	-179.8	58.3	0	0	0	110.2	T482 R533 T587 R600 E806	T482-H598 PolarHBondContact OG1-CE1 2.85Å; T482-H598 PolarHBondContact OG1-ND1 3.22Å; R533-H598 HydrophobicContact CB-CB 4.36Å; T587-H598 WeakPolarHBondContact O-CB 3.28Å; H598-R600 PolarHBondContact O-N 3.07Å; H598-E806 IonicContact CD2-OE1 2.74Å; H598-E806 IonicContact CE1-OE1 2.96Å; H598-E806 IonicContact NE2-OE1 2.73Å; H598-E806 PolarHBondContact NE2-OE1 3.45Å
599	Y	68.8	Low	69.1	Low	101 Å²	101	83.3 Å²	83.3	40%	0.396	45%	0.449	S	S	.	.			trans	-83.3	98.2	177.7	-165.6	-113.9	0	0	0	109.9	T482 K601	T482-Y599 PolarHBondContact O-N 3.39Å; Y599-K601 WeakPolarHBondContact CD1-O 3.43Å; Y599-K601 HydrophobicContact CE1-CB 4.29Å; Y599-K601 WeakPolarHBondContact CE1-O 3.32Å
600	R	59.5	Low	70	Confident	147 Å²	147	76.7 Å²	76.7	56%	0.555	42%	0.421	S	S	*	.			trans	-68	-36.5	-180	-74.7	-172.8	-177.8	178.8	-1	114.1	H598 V602	H598-R600 PolarHBondContact O-N 3.07Å; R600-V602 PolarHBondContact O-N 2.87Å
601	K	53.5	Low	71.3	Confident	160 Å²	160	72.6 Å²	72.6	70%	0.696	40%	0.402	S	S	*	.	S	Bend	trans	-73.3	109.4	-177.4	-146.7	169.4	-170.5	172.6	0	105	Y599 G603	Y599-K601 WeakPolarHBondContact CD1-O 3.43Å; Y599-K601 HydrophobicContact CE1-CB 4.29Å; Y599-K601 WeakPolarHBondContact CE1-O 3.32Å; K601-G603 PolarHBondContact O-N 2.77Å
602	V	49.7	Very low	72	Confident	72 Å²	72	70 Å²	70	44%	0.436	39%	0.393	S	S	.	.			trans	-48	100.8	156.4	175.7	0	0	0	0	104.9	R600 S604 C605 C714	R600-V602 PolarHBondContact O-N 2.87Å; V602-S604 PolarHBondContact O-N 2.96Å; V602-C605 HydrophobicContact CG1-CB 3.94Å; V602-C605 WeakPolarHBondContact CG1-SG 3.43Å; V602-C714 WeakPolarHBondContact CG1-SG 3.4Å
603	G	49.2	Very low	72.6	Confident	46 Å²	46	70.8 Å²	70.8	47%	0.474	39%	0.385	S	S	.	.			trans	-70.8	90.6	-169.1	0	0	0	0	0	106.4	K601 C605	K601-G603 PolarHBondContact O-N 2.77Å; G603-C605 PolarHBondContact O-N 3.04Å
604	S	53.2	Low	72.8	Confident	104 Å²	104	69.1 Å²	69.1	73%	0.727	38%	0.377	S	S	*	.			trans	29	73.7	-179.2	-173.4	0	0	0	0	110.7	V602 T606	V602-S604 PolarHBondContact O-N 2.96Å; S604-T606 PolarHBondContact O-N 3.18Å
605	C	64.7	Low	73.1	Confident	31 Å²	31	69 Å²	69	21%	0.209	38%	0.376	C	S	.	.			trans	-46.6	119.6	172.8	-84.8	0	0	0	0	107.4	V602 G603 A607 E713 C714	V602-C605 HydrophobicContact CG1-CB 3.94Å; V602-C605 WeakPolarHBondContact CG1-SG 3.43Å; G603-C605 PolarHBondContact O-N 3.04Å; C605-A607 PolarHBondContact O-N 3.13Å; C605-E713 HydrophobicContact CB-CB 4.14Å; C605-E713 WeakPolarHBondContact CB-O 3.5Å; C605-C714 HydrophobicContact CB-CB 3.93Å; C605-C714 WeakPolarHBondContact CB-SG 3.38Å; C605-C714 WeakPolarHBondContact SG-CA 3.44Å; C605-C714 WeakPolarHBondContact SG-CB 3.13Å; C605-C714 CovalentContact SG-SG 2.03Å; C605-C714 PolarHBondContact SG-SG 2.84Å
606	T	55.1	Low	73.3	Confident	150 Å²	150	68.9 Å²	68.9	92%	0.92	38%	0.375	S	S	*	.			trans	-72.1	-3.2	-163.6	50.1	0	0	0	0	112.2	S604	S604-T606 PolarHBondContact O-N 3.18Å
607	A	55	Low	73.5	Confident	40 Å²	40	68.9 Å²	68.9	33%	0.331	38%	0.375	S	S	.	.	S	Bend	trans	-78.2	152.4	-179.8	0	0	0	0	0	110.7	C605 E713	C605-A607 PolarHBondContact O-N 3.13Å; A607-E713 WeakPolarHBondContact CB-O 3.49Å
608	S	61.5	Low	74.1	Confident	94 Å²	94	66.6 Å²	66.6	66%	0.657	37%	0.365	S	S	*	.			trans	-39.8	143.3	174.5	45.5	0	0	0	0	114.1	V610	S608-V610 PolarHBondContact O-N 2.96Å
609	D	72.8	Confident	75	Confident	140 Å²	140	65.6 Å²	65.6	75%	0.749	36%	0.36	S	S	*	.			trans	-47	109.7	167.6	-165.7	7.8	0	0	0	110.2
610	V	85.2	Confident	76.2	Confident	13 Å²	13	61.3 Å²	61.3	8%	0.079	34%	0.343	C	S	.	.			trans	-87.1	114	177.7	-178.4	0	0	0	0	107.5	S608 D614 V615 L709 L712 E713	S608-V610 PolarHBondContact O-N 2.96Å; V610-D614 HydrophobicContact CG1-CB 4.46Å; V610-V615 HydrophobicContact CG1-CG2 4.05Å; V610-L709 HydrophobicContact CG1-CD2 3.94Å; V610-L712 HydrophobicContact CG1-CB 4.29Å; V610-L712 HydrophobicContact CG2-CB 4.38Å; V610-E713 HydrophobicContact CB-CG 4.26Å; V610-E713 HydrophobicContact CG2-CG 3.94Å
611	D	89.5	Confident	77.9	Confident	69 Å²	69	54.5 Å²	54.5	37%	0.369	32%	0.318	S	S	.	.			trans	-100.3	159.5	-176.5	-174.4	9.9	0	0	0	110.7	K613 D614	D611-K613 HydrophobicContact CB-CD 4.37Å; D611-K613 HydrophobicContact CB-CG 4.11Å; D611-K613 PolarHBondContact O-N 3.36Å; D611-K613 IonicContact OD2-NZ 3.96Å; D611-D614 PolarHBondContact N-OD2 3.42Å; D611-D614 WeakPolarHBondContact O-CB 3.42Å; D611-D614 PolarHBondContact O-N 2.95Å
612	F	90.2	Very high	79.8	Confident	43 Å²	43	49.6 Å²	49.6	19%	0.189	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-56.7	-26.4	178.9	-73.9	-74.6	0	0	0	113.3	D614 V615 F617 E642 L643 A705 L709	F612-D614 PolarHBondContact O-N 3.44Å; F612-V615 PolarHBondContact O-N 3.02Å; F612-F617 HydrophobicContact CD1-CE2 4.44Å; F612-E642 HydrophobicContact CB-CB 4.25Å; F612-E642 HydrophobicContact CB-CG 4.33Å; F612-E642 HydrophobicContact CD1-CG 4.23Å; F612-E642 HydrophobicContact CD2-CB 4.33Å; F612-E642 HydrophobicContact CD2-CG 3.75Å; F612-E642 HydrophobicContact CE1-CG 4.47Å; F612-E642 HydrophobicContact CE2-CG 4.02Å; F612-E642 HydrophobicContact CG-CB 4.3Å; F612-E642 HydrophobicContact CG-CG 3.84Å; F612-E642 HydrophobicContact CZ-CG 4.37Å; F612-L643 HydrophobicContact CD1-CD2 3.63Å; F612-L643 HydrophobicContact CE1-CD2 3.62Å; F612-A705 HydrophobicContact CE1-CB 3.85Å; F612-L709 HydrophobicContact CD1-CD1 3.82Å; F612-L709 HydrophobicContact CD2-CD1 3.77Å; F612-L709 HydrophobicContact CE1-CD1 3.65Å; F612-L709 HydrophobicContact CE1-CG 4.33Å; F612-L709 HydrophobicContact CE2-CD1 3.6Å; F612-L709 HydrophobicContact CG-CD1 3.89Å; F612-L709 HydrophobicContact CZ-CD1 3.54Å
613	K	90.8	Very high	81.9	Confident	126 Å²	126	50 Å²	50	55%	0.548	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-63.6	-28	174.8	73.1	-170.2	177.7	-163.2	0	112.8	D611 V615 R644	D611-K613 HydrophobicContact CB-CD 4.37Å; D611-K613 HydrophobicContact CB-CG 4.11Å; D611-K613 PolarHBondContact O-N 3.36Å; D611-K613 IonicContact OD2-NZ 3.96Å; K613-V615 VanDerWaalsContact C-N 3.31Å; K613-R644 WeakPolarHBondContact O-CD 3.19Å; K613-R644 PolarHBondContact O-NH1 3.36Å
614	D	91.9	Very high	83.9	Confident	41 Å²	41	53.5 Å²	53.5	22%	0.219	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-84.1	-12.5	-176.2	-58.8	-46.8	0	0	0	111.8	V610 D611 F612 T692 W693	V610-D614 HydrophobicContact CG1-CB 4.46Å; D611-D614 PolarHBondContact N-OD2 3.42Å; D611-D614 WeakPolarHBondContact O-CB 3.42Å; D611-D614 PolarHBondContact O-N 2.95Å; F612-D614 PolarHBondContact O-N 3.44Å; D614-T692 WeakPolarHBondContact O-CA 3.13Å; D614-T692 WeakPolarHBondContact O-CB 3.08Å; D614-T692 PolarHBondContact O-N 2.89Å; D614-W693 PolarHBondContact O-N 3.4Å
615	V	95.5	Very high	85.8	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.4	-174.5	-171.6	0	0	0	0	110.8	V610 F612 K613 F617 W693 V695 L709 L712	V610-V615 HydrophobicContact CG1-CG2 4.05Å; F612-V615 PolarHBondContact O-N 3.02Å; K613-V615 VanDerWaalsContact C-N 3.31Å; V615-F617 HydrophobicContact CB-CE2 4.05Å; V615-F617 HydrophobicContact CB-CZ 4.4Å; V615-F617 HydrophobicContact CG1-CD2 4.22Å; V615-F617 HydrophobicContact CG1-CE1 4.3Å; V615-F617 HydrophobicContact CG1-CE2 3.63Å; V615-F617 HydrophobicContact CG1-CZ 3.68Å; V615-W693 CarbonylContact C-O 3.49Å; V615-W693 WeakPolarHBondContact CA-O 3.48Å; V615-W693 HydrophobicContact CG1-CB 4.3Å; V615-W693 HydrophobicContact CG2-CB 4.2Å; V615-V695 HydrophobicContact CG1-CG2 3.42Å; V615-V695 VanDerWaalsContact CG1-CG2 3.42Å; V615-L709 HydrophobicContact CB-CD2 4.46Å; V615-L709 HydrophobicContact CG2-CD2 3.56Å; V615-L712 HydrophobicContact CG2-CD1 4.1Å
616	I	96.7	Very high	87.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.5	169	-66.7	-177.9	0	0	0	108.9	R644 Y646 F681 Y684 F691 W693 L694 V695	I616-R644 HydrophobicContact CG1-CB 4.35Å; I616-Y646 HydrophobicContact CG2-CD2 3.79Å; I616-Y646 HydrophobicContact CG2-CE2 4.02Å; I616-F681 HydrophobicContact CD1-CD1 4.08Å; I616-F681 HydrophobicContact CD1-CE1 3.99Å; I616-F681 HydrophobicContact CG2-CD1 4.28Å; I616-F681 HydrophobicContact CG2-CE1 3.51Å; I616-F681 HydrophobicContact CG2-CZ 3.64Å; I616-Y684 HydrophobicContact CD1-CD1 4.03Å; I616-Y684 HydrophobicContact CD1-CE1 3.69Å; I616-F691 HydrophobicContact CD1-CB 3.66Å; I616-F691 HydrophobicContact CD1-CD1 3.4Å; I616-F691 HydrophobicContact CD1-CD2 4Å; I616-F691 HydrophobicContact CD1-CE1 4.02Å; I616-F691 HydrophobicContact CD1-CG 3.39Å; I616-F691 HydrophobicContact CG1-CB 3.79Å; I616-F691 HydrophobicContact CG1-CD1 4.39Å; I616-F691 HydrophobicContact CG1-CD2 4.26Å; I616-F691 HydrophobicContact CG1-CG 3.9Å; I616-W693 PolarHBondContact N-O 3.1Å; I616-L694 HydrophobicContact CB-CD1 4.22Å; I616-L694 HydrophobicContact CG2-CD1 3.89Å; I616-L694 CarbonylContact O-C 3.57Å; I616-V695 PolarHBondContact O-N 3.41Å
617	F	97.3	Very high	89	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	122.2	173.8	-63.9	-92.8	0	0	0	109.3	F612 V615 W637 L643 R644 L645 Y646 V695 L703 A705 L708	F612-F617 HydrophobicContact CD1-CE2 4.44Å; V615-F617 HydrophobicContact CB-CE2 4.05Å; V615-F617 HydrophobicContact CB-CZ 4.4Å; V615-F617 HydrophobicContact CG1-CD2 4.22Å; V615-F617 HydrophobicContact CG1-CE1 4.3Å; V615-F617 HydrophobicContact CG1-CE2 3.63Å; V615-F617 HydrophobicContact CG1-CZ 3.68Å; F617-W637 HydrophobicContact CB-CZ3 4.36Å; F617-W637 HydrophobicContact CD1-CH2 4.44Å; F617-W637 AromaticContact CD1-CZ3 3.87Å; F617-W637 HydrophobicContact CD1-CZ3 3.87Å; F617-W637 HydrophobicContact CG-CZ3 4.31Å; F617-L643 HydrophobicContact CD2-CB 4.46Å; F617-L643 HydrophobicContact CD2-CD2 3.88Å; F617-L643 HydrophobicContact CE2-CD2 3.52Å; F617-L643 HydrophobicContact CZ-CD2 4Å; F617-R644 PolarHBondContact N-O 3.2Å; F617-L645 HydrophobicContact CB-CD1 3.7Å; F617-L645 CarbonylContact O-C 3.51Å; F617-L645 WeakPolarHBondContact O-CA 3.48Å; F617-Y646 PolarHBondContact O-N 3.09Å; F617-V695 HydrophobicContact CD1-CB 3.73Å; F617-V695 HydrophobicContact CD1-CG1 3.93Å; F617-V695 HydrophobicContact CD1-CG2 4Å; F617-V695 HydrophobicContact CE1-CB 4.03Å; F617-V695 HydrophobicContact CE1-CG1 4.12Å; F617-V695 HydrophobicContact CE1-CG2 3.82Å; F617-V695 HydrophobicContact CG-CB 4.42Å; F617-V695 HydrophobicContact CZ-CG2 4.37Å; F617-L703 HydrophobicContact CD1-CD2 4.1Å; F617-L703 HydrophobicContact CE1-CD2 3.59Å; F617-A705 HydrophobicContact CE1-CB 4.29Å; F617-A705 HydrophobicContact CZ-CB 4.03Å; F617-L708 HydrophobicContact CE1-CD2 3.72Å; F617-L708 HydrophobicContact CZ-CD2 4.13Å
618	A	97.6	Very high	90.9	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	119.5	177.6	0	0	0	0	0	109.4	Y646 F648 I677 F681 L694 V695 L696 T697	A618-Y646 WeakPolarHBondContact CA-O 3.42Å; A618-F648 HydrophobicContact CB-CD2 4.12Å; A618-F648 HydrophobicContact CB-CE2 3.79Å; A618-I677 HydrophobicContact CB-CG2 4.38Å; A618-F681 HydrophobicContact CB-CE2 3.58Å; A618-F681 HydrophobicContact CB-CZ 4.04Å; A618-L694 HydrophobicContact CB-CD1 3.75Å; A618-V695 PolarHBondContact N-O 2.79Å; A618-L696 HydrophobicContact CB-CD1 4.12Å; A618-L696 WeakPolarHBondContact O-CA 3.24Å; A618-T697 PolarHBondContact O-N 2.82Å
619	V	97.2	Very high	92.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	121.6	177.6	179.4	0	0	0	0	108.4	L633 W637 L645 Y646 F647 F648 T697 D699	V619-L633 HydrophobicContact CG1-CD1 3.62Å; V619-L633 HydrophobicContact CG2-CD1 4.32Å; V619-W637 HydrophobicContact CG2-CH2 3.92Å; V619-W637 HydrophobicContact CG2-CZ2 4.23Å; V619-L645 HydrophobicContact CG2-CD1 3.81Å; V619-Y646 PolarHBondContact N-O 2.73Å; V619-F647 HydrophobicContact CB-CD1 3.66Å; V619-F647 HydrophobicContact CB-CE1 3.93Å; V619-F647 HydrophobicContact CG1-CD1 3.87Å; V619-F647 HydrophobicContact CG1-CE1 4.05Å; V619-F647 HydrophobicContact CG2-CD1 4.18Å; V619-F647 HydrophobicContact CG2-CE1 3.98Å; V619-F648 PolarHBondContact O-N 2.79Å; V619-T697 WeakPolarHBondContact CA-O 3.47Å; V619-D699 HydrophobicContact CG1-CB 4.3Å
620	R	94.8	Very high	93.5	Very high	11 Å²	11	42.4 Å²	42.4	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.6	172.5	180	176.2	61.5	-161.3	5.2	109.5	T674 I677 T697 D698 D699 D771	R620-T674 PolarHBondContact NH1-OG1 2.96Å; R620-I677 HydrophobicContact CB-CD1 4.26Å; R620-I677 HydrophobicContact CG-CD1 4.37Å; R620-T697 PolarHBondContact N-O 2.96Å; R620-D698 IonicContact CZ-OD1 3.2Å; R620-D698 IonicContact NE-OD1 3.06Å; R620-D698 PolarHBondContact NE-OD1 3.25Å; R620-D698 VanDerWaalsContact NH2-CG 3.26Å; R620-D698 IonicContact NH2-OD1 3.01Å; R620-D698 PolarHBondContact NH2-OD1 2.71Å; R620-D698 IonicContact NH2-OD2 4Å; R620-D698 PolarHBondContact NH2-OD2 2.84Å; R620-D699 PolarHBondContact O-N 3.38Å; R620-D771 IonicContact CZ-OD2 2.8Å; R620-D771 IonicContact NH1-OD2 2.95Å; R620-D771 PolarHBondContact NH1-OD2 3.23Å; R620-D771 IonicContact NH2-OD2 3.18Å
621	T	95	Very high	93.9	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	23%	0.226	C	C	.	.			trans	-146.7	-173.8	179.8	-167.2	0	0	0	0	111.9	V630 F648 K673 D699	T621-V630 HydrophobicContact CG2-CG2 4.05Å; T621-V630 WeakPolarHBondContact OG1-CG2 3.47Å; T621-F648 CarbonylContact C-O 3.53Å; T621-F648 WeakPolarHBondContact CG2-O 3.41Å; T621-F648 PolarHBondContact N-O 2.73Å; T621-K673 PolarHBondContact O-NZ 2.94Å; T621-D699 WeakPolarHBondContact CA-OD2 3.33Å; T621-D699 WeakPolarHBondContact CB-OD2 3.3Å; T621-D699 PolarHBondContact OG1-OD2 3.33Å
622	W	93.7	Very high	94.2	Very high	57 Å²	57	45.6 Å²	45.6	22%	0.216	22%	0.216	C	C	.	.			trans	-153.5	161.3	176.3	76.8	-60.3	0	0	0	110.5	Q624 N625 H626 S649 D650	W622-Q624 HydrophobicContact CD2-CB 4.04Å; W622-Q624 HydrophobicContact CD2-CG 4.19Å; W622-Q624 HydrophobicContact CE3-CB 4.19Å; W622-Q624 HydrophobicContact CE3-CG 3.81Å; W622-Q624 HydrophobicContact CH2-CB 3.84Å; W622-Q624 HydrophobicContact CH2-CG 3.43Å; W622-Q624 VanDerWaalsContact CH2-CG 3.43Å; W622-Q624 VanDerWaalsContact CH2-NE2 3.34Å; W622-Q624 HydrophobicContact CZ2-CB 3.55Å; W622-Q624 VanDerWaalsContact CZ2-CD 3.47Å; W622-Q624 HydrophobicContact CZ2-CG 3.72Å; W622-Q624 HydrophobicContact CZ3-CB 4.1Å; W622-Q624 HydrophobicContact CZ3-CG 3.42Å; W622-Q624 VanDerWaalsContact CZ3-CG 3.42Å; W622-Q624 PolarHBondContact O-N 2.84Å; W622-N625 VanDerWaalsContact CD1-CG 3.47Å; W622-N625 PolarHBondContact NE1-ND2 3.1Å; W622-N625 PolarHBondContact NE1-OD1 3.26Å; W622-N625 PolarHBondContact O-N 2.9Å; W622-H626 PolarHBondContact O-CD2 3.14Å; W622-H626 PolarHBondContact O-NE2 2.78Å; W622-S649 VanDerWaalsContact CA-OG 3.27Å; W622-S649 WeakPolarHBondContact CA-OG 3.44Å; W622-D650 WeakPolarHBondContact CA-OD1 3.41Å; W622-D650 WeakPolarHBondContact CB-OD1 3.19Å
623	H	92.5	Very high	94.5	Very high	81 Å²	81	43.6 Å²	43.6	38%	0.375	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51.2	-31.6	-168.8	67	-88	0	0	0	116	N625 D650 V651	H623-N625 VanDerWaalsContact C-N 3.32Å; H623-N625 PolarHBondContact O-N 3.33Å; H623-D650 IonicContact CE1-OD2 2.71Å; H623-D650 IonicContact CG-OD2 3.77Å; H623-D650 PolarHBondContact N-OD1 3.36Å; H623-D650 IonicContact ND1-OD1 3.95Å; H623-D650 IonicContact ND1-OD2 3.37Å; H623-D650 PolarHBondContact ND1-OD2 3.32Å; H623-V651 HydrophobicContact CB-CG1 4.14Å; H623-V651 HydrophobicContact CB-CG2 3.56Å
624	Q	91.4	Very high	94.6	Very high	119 Å²	119	41 Å²	41	56%	0.556	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-75.7	-20.9	-179.8	-58.5	-170.6	-1.9	0	0	113.7	W622	W622-Q624 HydrophobicContact CD2-CB 4.04Å; W622-Q624 HydrophobicContact CD2-CG 4.19Å; W622-Q624 HydrophobicContact CE3-CB 4.19Å; W622-Q624 HydrophobicContact CE3-CG 3.81Å; W622-Q624 HydrophobicContact CH2-CB 3.84Å; W622-Q624 HydrophobicContact CH2-CG 3.43Å; W622-Q624 VanDerWaalsContact CH2-CG 3.43Å; W622-Q624 VanDerWaalsContact CH2-NE2 3.34Å; W622-Q624 HydrophobicContact CZ2-CB 3.55Å; W622-Q624 VanDerWaalsContact CZ2-CD 3.47Å; W622-Q624 HydrophobicContact CZ2-CG 3.72Å; W622-Q624 HydrophobicContact CZ3-CB 4.1Å; W622-Q624 HydrophobicContact CZ3-CG 3.42Å; W622-Q624 VanDerWaalsContact CZ3-CG 3.42Å; W622-Q624 PolarHBondContact O-N 2.84Å
625	N	93.8	Very high	94.6	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.102	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-93.8	-2.3	-177.7	-74	-9.8	0	0	0	113.2	W622 H623 T628 R629 V630 D699	W622-N625 VanDerWaalsContact CD1-CG 3.47Å; W622-N625 PolarHBondContact NE1-ND2 3.1Å; W622-N625 PolarHBondContact NE1-OD1 3.26Å; W622-N625 PolarHBondContact O-N 2.9Å; H623-N625 VanDerWaalsContact C-N 3.32Å; H623-N625 PolarHBondContact O-N 3.33Å; N625-T628 WeakPolarHBondContact CA-OG1 3.24Å; N625-T628 PolarHBondContact O-N 3.29Å; N625-R629 HydrophobicContact CB-CB 4.22Å; N625-R629 HydrophobicContact CB-CG 4.27Å; N625-R629 WeakPolarHBondContact ND2-CD 3.06Å; N625-R629 PolarHBondContact O-N 3.09Å; N625-R629 VanDerWaalsContact O-N 3.08Å; N625-V630 WeakPolarHBondContact O-CG2 3.41Å; N625-V630 PolarHBondContact O-N 3.35Å; N625-D699 WeakPolarHBondContact CB-OD2 3.14Å; N625-D699 VanDerWaalsContact ND2-CG 3.28Å; N625-D699 PolarHBondContact ND2-OD1 2.98Å; N625-D699 VanDerWaalsContact ND2-OD1 3.12Å; N625-D699 PolarHBondContact ND2-OD2 3.33Å
626	H	94.2	Very high	94.5	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.046	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-45.9	-177.3	-67.1	-174.6	0	0	0	112.3	W622 S649 D653 I656	W622-H626 PolarHBondContact O-CD2 3.14Å; W622-H626 PolarHBondContact O-NE2 2.78Å; H626-S649 PolarHBondContact CE1-OG 2.94Å; H626-S649 PolarHBondContact NE2-OG 3.06Å; H626-D653 IonicContact CG-OD2 3.99Å; H626-D653 IonicContact ND1-OD2 3.64Å; H626-D653 PolarHBondContact ND1-OD2 2.69Å; H626-I656 HydrophobicContact CB-CD1 3.69Å; H626-I656 HydrophobicContact CB-CG1 4.45Å; H626-I656 WeakPolarHBondContact CD2-CD1 3.29Å
627	D	92.4	Very high	94.4	Very high	133 Å²	133	43.1 Å²	43.1	71%	0.711	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.8	-178.2	-69	-43.7	0	0	0	114
628	T	94	Very high	94.1	Very high	78 Å²	78	43.7 Å²	43.7	48%	0.479	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-79.8	-175.7	56.1	0	0	0	0	111.2	N625 V632	N625-T628 WeakPolarHBondContact CA-OG1 3.24Å; N625-T628 PolarHBondContact O-N 3.29Å; T628-V632 PolarHBondContact O-N 2.71Å
629	R	95.3	Very high	93.5	Very high	86 Å²	86	50 Å²	50	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-75.2	-42.6	-171.7	-54.7	-177.9	179.3	-166.6	-11.7	112.8	N625 K631 V632 L633 D699 D700 F816	N625-R629 HydrophobicContact CB-CB 4.22Å; N625-R629 HydrophobicContact CB-CG 4.27Å; N625-R629 WeakPolarHBondContact ND2-CD 3.06Å; N625-R629 PolarHBondContact O-N 3.09Å; N625-R629 VanDerWaalsContact O-N 3.08Å; R629-K631 PolarHBondContact O-N 2.65Å; R629-V632 WeakPolarHBondContact O-CB 3.3Å; R629-V632 PolarHBondContact O-N 2.71Å; R629-L633 PolarHBondContact O-N 2.71Å; R629-D699 HydrophobicContact CB-CB 4.22Å; R629-D699 WeakPolarHBondContact CB-O 3.19Å; R629-D699 WeakPolarHBondContact CD-OD1 3.25Å; R629-D699 IonicContact CZ-OD1 3.44Å; R629-D699 IonicContact NE-OD1 3.38Å; R629-D699 IonicContact NH1-OD1 3.6Å; R629-D699 PolarHBondContact NH1-OD1 2.98Å; R629-D700 IonicContact CZ-OD2 2.89Å; R629-D700 VanDerWaalsContact NH1-CG 3.32Å; R629-D700 IonicContact NH1-OD1 3.9Å; R629-D700 IonicContact NH1-OD2 3.42Å; R629-D700 PolarHBondContact NH1-OD2 3.16Å; R629-D700 IonicContact NH2-OD2 2.81Å; R629-F816 HydrophobicContact CB-CD2 4.15Å; R629-F816 HydrophobicContact CB-CE2 3.91Å; R629-F816 HydrophobicContact CG-CD2 4.13Å; R629-F816 HydrophobicContact CG-CE2 4.4Å
630	V	95.5	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-33.8	177.4	174	0	0	0	0	111.3	T621 N625 L633 K634 F647 I656 D699	T621-V630 HydrophobicContact CG2-CG2 4.05Å; T621-V630 WeakPolarHBondContact OG1-CG2 3.47Å; N625-V630 WeakPolarHBondContact O-CG2 3.41Å; N625-V630 PolarHBondContact O-N 3.35Å; V630-L633 PolarHBondContact O-N 2.84Å; V630-K634 PolarHBondContact O-N 3.31Å; V630-F647 HydrophobicContact CG1-CD1 4Å; V630-F647 HydrophobicContact CG1-CE1 3.69Å; V630-F647 HydrophobicContact CG1-CZ 4.14Å; V630-I656 HydrophobicContact CG1-CB 4.23Å; V630-I656 HydrophobicContact CG1-CD1 4.08Å; V630-I656 HydrophobicContact CG1-CG2 3.67Å; V630-D699 HydrophobicContact CG2-CB 4.25Å
631	K	93.6	Very high	91.8	Very high	125 Å²	125	60.4 Å²	60.4	54%	0.543	29%	0.29	S	S	.	.	H	α-helix	trans	-61.5	-44.9	172.7	-174.6	-179.6	176.1	-175.1	0	111.8	R629 L633 K634 D635	R629-K631 PolarHBondContact O-N 2.65Å; K631-L633 VanDerWaalsContact C-N 3.32Å; K631-L633 PolarHBondContact O-N 3.44Å; K631-K634 CarbonylContact O-C 3.47Å; K631-K634 WeakPolarHBondContact O-CB 3.27Å; K631-K634 PolarHBondContact O-N 3.01Å; K631-D635 WeakPolarHBondContact O-CB 3.49Å; K631-D635 PolarHBondContact O-N 3.37Å
632	V	95.8	Very high	91.4	Very high	25 Å²	25	65.5 Å²	65.5	15%	0.152	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-41.9	174.7	173.4	0	0	0	0	111.4	T628 R629 K634 D635 T636 F816 P821 I822	T628-V632 PolarHBondContact O-N 2.71Å; R629-V632 WeakPolarHBondContact O-CB 3.3Å; R629-V632 PolarHBondContact O-N 2.71Å; V632-K634 PolarHBondContact O-N 3.43Å; V632-D635 CarbonylContact O-C 3.56Å; V632-D635 PolarHBondContact O-N 2.87Å; V632-D635 VanDerWaalsContact O-N 3.09Å; V632-T636 HydrophobicContact CG1-CG2 4.38Å; V632-T636 WeakPolarHBondContact O-CB 3.46Å; V632-T636 WeakPolarHBondContact O-CG2 3.49Å; V632-T636 PolarHBondContact O-N 2.87Å; V632-T636 PolarHBondContact O-OG1 3Å; V632-F816 HydrophobicContact CB-CD2 4.43Å; V632-F816 HydrophobicContact CB-CE2 3.72Å; V632-F816 HydrophobicContact CB-CZ 4.16Å; V632-F816 HydrophobicContact CG1-CD2 4.34Å; V632-F816 HydrophobicContact CG1-CE1 4.39Å; V632-F816 HydrophobicContact CG1-CE2 3.67Å; V632-F816 HydrophobicContact CG1-CZ 3.69Å; V632-F816 HydrophobicContact CG2-CE2 4.32Å; V632-P821 HydrophobicContact CB-CG 4.43Å; V632-P821 HydrophobicContact CG1-CB 3.7Å; V632-P821 HydrophobicContact CG1-CG 3.5Å; V632-P821 HydrophobicContact CG2-CG 4.1Å; V632-I822 HydrophobicContact CG1-CG1 4.46Å
633	L	95.5	Very high	91.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-47.9	175.1	-61.8	-177.1	0	0	0	111.2	V619 R629 V630 K631 D635 T636 W637 A638 F647 D699 T701 F816	V619-L633 HydrophobicContact CG1-CD1 3.62Å; V619-L633 HydrophobicContact CG2-CD1 4.32Å; R629-L633 PolarHBondContact O-N 2.71Å; V630-L633 PolarHBondContact O-N 2.84Å; K631-L633 VanDerWaalsContact C-N 3.32Å; K631-L633 PolarHBondContact O-N 3.44Å; L633-D635 PolarHBondContact O-N 3.28Å; L633-T636 CarbonylContact O-C 3.56Å; L633-T636 PolarHBondContact O-N 2.95Å; L633-T636 PolarHBondContact O-OG1 2.98Å; L633-W637 HydrophobicContact CD2-CZ2 4.29Å; L633-W637 VanDerWaalsContact CD2-NE1 3.34Å; L633-W637 PolarHBondContact O-N 3.06Å; L633-A638 HydrophobicContact CB-CB 4.12Å; L633-A638 WeakPolarHBondContact O-CB 3.44Å; L633-A638 PolarHBondContact O-N 3.03Å; L633-F647 HydrophobicContact CD1-CE1 4.44Å; L633-D699 HydrophobicContact CD1-CB 4.47Å; L633-D699 WeakPolarHBondContact CD1-O 3.25Å; L633-T701 VanDerWaalsContact CD2-O 3.23Å; L633-T701 WeakPolarHBondContact CD2-O 3.45Å; L633-F816 HydrophobicContact CD2-CZ 3.85Å; L633-F816 HydrophobicContact CG-CZ 4.47Å
634	K	92.9	Very high	91.2	Very high	72 Å²	72	62 Å²	62	31%	0.313	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-22.9	175	-77.9	-176.9	165	-175.7	0	113.3	V630 K631 V632 K639 F647 T655 I656	V630-K634 PolarHBondContact O-N 3.31Å; K631-K634 CarbonylContact O-C 3.47Å; K631-K634 WeakPolarHBondContact O-CB 3.27Å; K631-K634 PolarHBondContact O-N 3.01Å; V632-K634 PolarHBondContact O-N 3.43Å; K634-K639 VanDerWaalsContact O-CE 3.22Å; K634-K639 WeakPolarHBondContact O-CE 3.35Å; K634-K639 WeakPolarHBondContact O-CG 3.33Å; K634-F647 HydrophobicContact CG-CZ 4.46Å; K634-T655 PolarHBondContact NZ-O 3.36Å; K634-I656 HydrophobicContact CD-CG2 4.16Å
635	D	92.2	Very high	91.4	Very high	67 Å²	67	58.5 Å²	58.5	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-89.1	-12.2	175.5	-74.2	-27.6	0	0	0	113.4	K631 V632 L633 K639	K631-D635 WeakPolarHBondContact O-CB 3.49Å; K631-D635 PolarHBondContact O-N 3.37Å; V632-D635 CarbonylContact O-C 3.56Å; V632-D635 PolarHBondContact O-N 2.87Å; V632-D635 VanDerWaalsContact O-N 3.09Å; L633-D635 PolarHBondContact O-N 3.28Å; D635-K639 VanDerWaalsContact O-CE 3.32Å; D635-K639 WeakPolarHBondContact O-CE 3.37Å; D635-K639 PolarHBondContact O-NZ 3.28Å
636	T	94.1	Very high	91.5	Very high	8 Å²	8	60.5 Å²	60.5	5%	0.049	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-107.4	-178.3	54.7	0	0	0	0	111	V632 L633 L702 I822 Y825	V632-T636 HydrophobicContact CG1-CG2 4.38Å; V632-T636 WeakPolarHBondContact O-CB 3.46Å; V632-T636 WeakPolarHBondContact O-CG2 3.49Å; V632-T636 PolarHBondContact O-N 2.87Å; V632-T636 PolarHBondContact O-OG1 3Å; L633-T636 CarbonylContact O-C 3.56Å; L633-T636 PolarHBondContact O-N 2.95Å; L633-T636 PolarHBondContact O-OG1 2.98Å; T636-L702 HydrophobicContact CG2-CD2 4.41Å; T636-I822 HydrophobicContact CG2-CG1 4.28Å; T636-Y825 HydrophobicContact CG2-CD1 3.72Å; T636-Y825 HydrophobicContact CG2-CD2 4.49Å; T636-Y825 HydrophobicContact CG2-CE1 4.4Å; T636-Y825 HydrophobicContact CG2-CG 3.76Å
637	W	93.6	Very high	91.6	Very high	10 Å²	10	60.5 Å²	60.5	4%	0.038	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-84.3	-20.2	-170.2	67	-93.2	0	0	0	114	F617 V619 L633 K639 L643 L645 T697 T701 L703 Y825	F617-W637 HydrophobicContact CB-CZ3 4.36Å; F617-W637 HydrophobicContact CD1-CH2 4.44Å; F617-W637 AromaticContact CD1-CZ3 3.87Å; F617-W637 HydrophobicContact CD1-CZ3 3.87Å; F617-W637 HydrophobicContact CG-CZ3 4.31Å; V619-W637 HydrophobicContact CG2-CH2 3.92Å; V619-W637 HydrophobicContact CG2-CZ2 4.23Å; L633-W637 HydrophobicContact CD2-CZ2 4.29Å; L633-W637 VanDerWaalsContact CD2-NE1 3.34Å; L633-W637 PolarHBondContact O-N 3.06Å; W637-K639 PolarHBondContact O-N 3.18Å; W637-K639 VanDerWaalsContact O-N 3.14Å; W637-L643 WeakPolarHBondContact O-CD1 3.24Å; W637-L645 HydrophobicContact CH2-CD1 4.36Å; W637-L645 HydrophobicContact CZ3-CD1 4.32Å; W637-T697 HydrophobicContact CH2-CG2 4.5Å; W637-T697 HydrophobicContact CZ2-CG2 4.49Å; W637-T701 PolarHBondContact NE1-O 2.54Å; W637-L703 WeakPolarHBondContact CB-O 3.43Å; W637-L703 VanDerWaalsContact CD1-N 3.3Å; W637-L703 HydrophobicContact CD2-CB 3.83Å; W637-L703 HydrophobicContact CD2-CD2 4.36Å; W637-L703 HydrophobicContact CE3-CB 4.28Å; W637-L703 HydrophobicContact CE3-CD2 3.96Å; W637-L703 HydrophobicContact CG-CB 4.04Å; W637-L703 HydrophobicContact CZ2-CB 4.35Å; W637-L703 HydrophobicContact CZ3-CD2 4.09Å; W637-Y825 HydrophobicContact CB-CE2 3.79Å
638	A	92.1	Very high	91.8	Very high	12 Å²	12	54.1 Å²	54.1	10%	0.099	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-83.5	23.1	-178.6	0	0	0	0	0	113.8	L633 L645	L633-A638 HydrophobicContact CB-CB 4.12Å; L633-A638 WeakPolarHBondContact O-CB 3.44Å; L633-A638 PolarHBondContact O-N 3.03Å; A638-L645 HydrophobicContact CB-CD2 3.67Å
639	K	84	Confident	91.9	Very high	133 Å²	133	50.4 Å²	50.4	58%	0.578	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-87.2	-27.4	179.1	-77.1	-178.6	162.6	156.1	0	114.6	K634 D635 W637 K641	K634-K639 VanDerWaalsContact O-CE 3.22Å; K634-K639 WeakPolarHBondContact O-CE 3.35Å; K634-K639 WeakPolarHBondContact O-CG 3.33Å; D635-K639 VanDerWaalsContact O-CE 3.32Å; D635-K639 WeakPolarHBondContact O-CE 3.37Å; D635-K639 PolarHBondContact O-NZ 3.28Å; W637-K639 PolarHBondContact O-N 3.18Å; W637-K639 VanDerWaalsContact O-N 3.14Å; K639-K641 PolarHBondContact O-N 3.31Å
640	G	76	Confident	91.7	Very high	21 Å²	21	47.7 Å²	47.7	22%	0.216	23%	0.225	C	C	.	.			trans	-61.6	125.4	-171.4	0	0	0	0	0	112.1	E642 L643	G640-E642 WeakPolarHBondContact CA-OE1 3.36Å; G640-E642 WeakPolarHBondContact CA-OE2 3.33Å; G640-E642 PolarHBondContact O-N 2.99Å; G640-L643 WeakPolarHBondContact O-CB 3.44Å; G640-L643 PolarHBondContact O-N 3.29Å
641	K	79.8	Confident	91.5	Very high	210 Å²	210	50.2 Å²	50.2	91%	0.913	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-22.1	177.1	-68.6	-177	-179.1	177.4	0	112	K639 L643	K639-K641 PolarHBondContact O-N 3.31Å; K641-L643 VanDerWaalsContact C-N 3.28Å
642	E	86.2	Confident	91.4	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-20.5	172.7	64.2	-78.8	-176.7	0	0	112.8	F612 G640 R644	F612-E642 HydrophobicContact CB-CB 4.25Å; F612-E642 HydrophobicContact CB-CG 4.33Å; F612-E642 HydrophobicContact CD1-CG 4.23Å; F612-E642 HydrophobicContact CD2-CB 4.33Å; F612-E642 HydrophobicContact CD2-CG 3.75Å; F612-E642 HydrophobicContact CE1-CG 4.47Å; F612-E642 HydrophobicContact CE2-CG 4.02Å; F612-E642 HydrophobicContact CG-CB 4.3Å; F612-E642 HydrophobicContact CG-CG 3.84Å; F612-E642 HydrophobicContact CZ-CG 4.37Å; G640-E642 WeakPolarHBondContact CA-OE1 3.36Å; G640-E642 WeakPolarHBondContact CA-OE2 3.33Å; G640-E642 PolarHBondContact O-N 2.99Å; E642-R644 PolarHBondContact O-N 3.1Å
643	L	89.7	Confident	91.2	Very high	19 Å²	19	51.3 Å²	51.3	10%	0.099	25%	0.246	C	C	.	.			trans	-73.5	121.4	-179.5	-61.1	172.7	0	0	0	110.8	F612 F617 W637 G640 K641 L645 A705	F612-L643 HydrophobicContact CD1-CD2 3.63Å; F612-L643 HydrophobicContact CE1-CD2 3.62Å; F617-L643 HydrophobicContact CD2-CB 4.46Å; F617-L643 HydrophobicContact CD2-CD2 3.88Å; F617-L643 HydrophobicContact CE2-CD2 3.52Å; F617-L643 HydrophobicContact CZ-CD2 4Å; W637-L643 WeakPolarHBondContact O-CD1 3.24Å; G640-L643 WeakPolarHBondContact O-CB 3.44Å; G640-L643 PolarHBondContact O-N 3.29Å; K641-L643 VanDerWaalsContact C-N 3.28Å; L643-L645 HydrophobicContact CB-CB 4.42Å; L643-L645 PolarHBondContact O-N 2.8Å; L643-A705 HydrophobicContact CD2-CB 4.08Å
644	R	93.2	Very high	91	Very high	47 Å²	47	56.6 Å²	56.6	18%	0.177	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	73.7	169.3	-63.2	176.4	65.3	-174.2	-0.3	109.8	K613 I616 F617 E642 Y684 S689 A690	K613-R644 WeakPolarHBondContact O-CD 3.19Å; K613-R644 PolarHBondContact O-NH1 3.36Å; I616-R644 HydrophobicContact CG1-CB 4.35Å; F617-R644 PolarHBondContact N-O 3.2Å; E642-R644 PolarHBondContact O-N 3.1Å; R644-Y684 PolarHBondContact NH2-OH 3.49Å; R644-S689 PolarHBondContact NH2-OG 3.3Å; R644-A690 PolarHBondContact NH1-O 2.95Å
645	L	94.7	Very high	90.7	Very high	44 Å²	44	57.8 Å²	57.8	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.4	-170.6	-174.7	67	0	0	0	113	F617 V619 W637 A638 L643 F647	F617-L645 HydrophobicContact CB-CD1 3.7Å; F617-L645 CarbonylContact O-C 3.51Å; F617-L645 WeakPolarHBondContact O-CA 3.48Å; V619-L645 HydrophobicContact CG2-CD1 3.81Å; W637-L645 HydrophobicContact CH2-CD1 4.36Å; W637-L645 HydrophobicContact CZ3-CD1 4.32Å; A638-L645 HydrophobicContact CB-CD2 3.67Å; L643-L645 HydrophobicContact CB-CB 4.42Å; L643-L645 PolarHBondContact O-N 2.8Å; L645-F647 HydrophobicContact CD2-CD2 4.48Å; L645-F647 HydrophobicContact CD2-CE1 4.5Å; L645-F647 HydrophobicContact CD2-CE2 3.47Å; L645-F647 VanDerWaalsContact CD2-CE2 3.47Å; L645-F647 HydrophobicContact CD2-CZ 3.49Å; L645-F647 VanDerWaalsContact CD2-CZ 3.49Å; L645-F647 HydrophobicContact CG-CD2 4.45Å; L645-F647 HydrophobicContact CG-CE2 3.87Å; L645-F647 HydrophobicContact CG-CZ 4.09Å
646	Y	95.6	Very high	90.5	Very high	61 Å²	61	54.9 Å²	54.9	24%	0.239	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.7	175.3	-64.9	-95.2	0	0	0	110.3	I616 F617 A618 V619 V659 F681 Y684	I616-Y646 HydrophobicContact CG2-CD2 3.79Å; I616-Y646 HydrophobicContact CG2-CE2 4.02Å; F617-Y646 PolarHBondContact O-N 3.09Å; A618-Y646 WeakPolarHBondContact CA-O 3.42Å; V619-Y646 PolarHBondContact N-O 2.73Å; Y646-V659 HydrophobicContact CD1-CG2 4.32Å; Y646-F681 HydrophobicContact CD2-CE1 4.23Å; Y646-F681 HydrophobicContact CD2-CZ 4.1Å; Y646-F681 HydrophobicContact CE2-CE1 4.47Å; Y646-F681 HydrophobicContact CG-CZ 4.22Å; Y646-Y684 WeakPolarHBondContact OH-CE2 3Å; Y646-Y684 PolarHBondContact OH-OH 3.26Å
647	F	96.9	Very high	90	Very high	10 Å²	10	59.3 Å²	59.3	4%	0.044	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.7	172.4	-65	-84.4	0	0	0	109.4	V619 V630 L633 K634 L645 T658 V659	V619-F647 HydrophobicContact CB-CD1 3.66Å; V619-F647 HydrophobicContact CB-CE1 3.93Å; V619-F647 HydrophobicContact CG1-CD1 3.87Å; V619-F647 HydrophobicContact CG1-CE1 4.05Å; V619-F647 HydrophobicContact CG2-CD1 4.18Å; V619-F647 HydrophobicContact CG2-CE1 3.98Å; V630-F647 HydrophobicContact CG1-CD1 4Å; V630-F647 HydrophobicContact CG1-CE1 3.69Å; V630-F647 HydrophobicContact CG1-CZ 4.14Å; L633-F647 HydrophobicContact CD1-CE1 4.44Å; K634-F647 HydrophobicContact CG-CZ 4.46Å; L645-F647 HydrophobicContact CD2-CD2 4.48Å; L645-F647 HydrophobicContact CD2-CE1 4.5Å; L645-F647 HydrophobicContact CD2-CE2 3.47Å; L645-F647 VanDerWaalsContact CD2-CE2 3.47Å; L645-F647 HydrophobicContact CD2-CZ 3.49Å; L645-F647 VanDerWaalsContact CD2-CZ 3.49Å; L645-F647 HydrophobicContact CG-CD2 4.45Å; L645-F647 HydrophobicContact CG-CE2 3.87Å; L645-F647 HydrophobicContact CG-CZ 4.09Å; F647-T658 HydrophobicContact CB-CG2 4.02Å; F647-T658 CarbonylContact O-C 3.6Å; F647-T658 VanDerWaalsContact O-CA 3.23Å; F647-T658 WeakPolarHBondContact O-CA 3.25Å; F647-V659 PolarHBondContact O-N 2.89Å
648	F	96.6	Very high	90	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.4	177.7	-70.3	-91.9	0	0	0	110.1	A618 V619 T621 V659 L661 I677 F680 F681	A618-F648 HydrophobicContact CB-CD2 4.12Å; A618-F648 HydrophobicContact CB-CE2 3.79Å; V619-F648 PolarHBondContact O-N 2.79Å; T621-F648 CarbonylContact C-O 3.53Å; T621-F648 WeakPolarHBondContact CG2-O 3.41Å; T621-F648 PolarHBondContact N-O 2.73Å; F648-V659 HydrophobicContact CD1-CB 3.73Å; F648-V659 HydrophobicContact CD1-CG1 3.93Å; F648-V659 HydrophobicContact CE1-CB 3.78Å; F648-V659 HydrophobicContact CE1-CG1 3.74Å; F648-V659 HydrophobicContact CE1-CG2 4.25Å; F648-V659 HydrophobicContact CG-CB 4.47Å; F648-L661 HydrophobicContact CB-CD1 4.15Å; F648-L661 HydrophobicContact CB-CD2 4.35Å; F648-L661 HydrophobicContact CB-CG 4.26Å; F648-L661 HydrophobicContact CD1-CD2 3.73Å; F648-L661 HydrophobicContact CD1-CG 4.41Å; F648-L661 HydrophobicContact CG-CD2 4.47Å; F648-I677 HydrophobicContact CB-CD1 3.78Å; F648-I677 HydrophobicContact CB-CG1 3.95Å; F648-I677 HydrophobicContact CD1-CG1 3.82Å; F648-I677 HydrophobicContact CD2-CD1 4.3Å; F648-I677 HydrophobicContact CD2-CG1 4.18Å; F648-I677 HydrophobicContact CD2-CG2 4.22Å; F648-I677 HydrophobicContact CE1-CG1 4.34Å; F648-I677 HydrophobicContact CE2-CG2 4.08Å; F648-I677 HydrophobicContact CG-CD1 3.98Å; F648-I677 HydrophobicContact CG-CG1 3.71Å; F648-I677 HydrophobicContact CZ-CG2 4.25Å; F648-F680 HydrophobicContact CE1-CB 4.37Å; F648-F680 AromaticContact CE1-CD1 3.77Å; F648-F680 HydrophobicContact CE1-CD1 3.77Å; F648-F680 HydrophobicContact CE1-CD2 4.4Å; F648-F680 HydrophobicContact CE1-CE1 4.11Å; F648-F680 AromaticContact CE1-CG 3.93Å; F648-F680 HydrophobicContact CE1-CG 3.93Å; F648-F680 AromaticContact CZ-CD1 3.58Å; F648-F680 HydrophobicContact CZ-CD1 3.58Å; F648-F680 AromaticContact CZ-CE1 3.78Å; F648-F680 HydrophobicContact CZ-CE1 3.78Å; F648-F680 HydrophobicContact CZ-CG 4.22Å; F648-F681 AromaticContact CE2-CE2 3.4Å; F648-F681 HydrophobicContact CE2-CE2 3.4Å; F648-F681 VanDerWaalsContact CE2-CE2 3.4Å; F648-F681 AromaticContact CE2-CZ 3.58Å; F648-F681 HydrophobicContact CE2-CZ 3.58Å; F648-F681 HydrophobicContact CZ-CD2 4.3Å; F648-F681 AromaticContact CZ-CE2 3.39Å; F648-F681 HydrophobicContact CZ-CE2 3.39Å; F648-F681 AromaticContact CZ-CZ 3.53Å; F648-F681 HydrophobicContact CZ-CZ 3.53Å
649	S	95.5	Very high	90	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.5	-173.6	-162.7	0	0	0	0	112.5	W622 H626 V651 V659 K660 L661	W622-S649 VanDerWaalsContact CA-OG 3.27Å; W622-S649 WeakPolarHBondContact CA-OG 3.44Å; H626-S649 PolarHBondContact CE1-OG 2.94Å; H626-S649 PolarHBondContact NE2-OG 3.06Å; S649-V651 VanDerWaalsContact C-N 3.27Å; S649-V659 PolarHBondContact N-O 2.99Å; S649-V659 VanDerWaalsContact N-O 3.11Å; S649-K660 CarbonylContact O-C 3.53Å; S649-K660 WeakPolarHBondContact O-CA 3.32Å; S649-L661 PolarHBondContact O-N 3.17Å
650	D	92	Very high	90.5	Very high	29 Å²	29	60.5 Å²	60.5	16%	0.155	31%	0.314	C	S	.	.	S	Bend	trans	-75.3	-17.4	175.2	60.6	-45.7	0	0	0	113	W622 H623 K660 N665	W622-D650 WeakPolarHBondContact CA-OD1 3.41Å; W622-D650 WeakPolarHBondContact CB-OD1 3.19Å; H623-D650 IonicContact CE1-OD2 2.71Å; H623-D650 IonicContact CG-OD2 3.77Å; H623-D650 PolarHBondContact N-OD1 3.36Å; H623-D650 IonicContact ND1-OD1 3.95Å; H623-D650 IonicContact ND1-OD2 3.37Å; H623-D650 PolarHBondContact ND1-OD2 3.32Å; D650-K660 WeakPolarHBondContact O-CE 3.43Å; D650-N665 HydrophobicContact CB-CB 4.36Å
651	V	91.9	Very high	91.3	Very high	52 Å²	52	59.9 Å²	59.9	32%	0.315	31%	0.306	S	S	.	.	S	Bend	trans	-125.2	154.7	174.9	-54.9	0	0	0	0	111.3	H623 S649 T658	H623-V651 HydrophobicContact CB-CG1 4.14Å; H623-V651 HydrophobicContact CB-CG2 3.56Å; S649-V651 VanDerWaalsContact C-N 3.27Å; V651-T658 PolarHBondContact O-OG1 3.04Å
652	E	91.9	Very high	91.7	Very high	146 Å²	146	59 Å²	59	68%	0.682	30%	0.302	S	S	*	.			trans	-83.3	120	169.1	-174.3	173.6	-174.8	0	0	108.5	T658 K660	E652-T658 VanDerWaalsContact CA-OG1 3.3Å; E652-T658 WeakPolarHBondContact CA-OG1 3.46Å; E652-K660 HydrophobicContact CB-CB 4.26Å
653	D	91.4	Very high	91.6	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.15	29%	0.286	C	S	.	.			trans	-123.6	109.5	176.5	-177.5	-9.9	0	0	0	109.3	H626 T655 I656 P657 T658	H626-D653 IonicContact CG-OD2 3.99Å; H626-D653 IonicContact ND1-OD2 3.64Å; H626-D653 PolarHBondContact ND1-OD2 2.69Å; D653-T655 PolarHBondContact O-N 3.5Å; D653-T655 WeakPolarHBondContact OD1-CB 3.37Å; D653-T655 WeakPolarHBondContact OD1-CG2 2.99Å; D653-T655 PolarHBondContact OD1-N 3.15Å; D653-T655 PolarHBondContact OD1-OG1 3.4Å; D653-T655 PolarHBondContact OD2-OG1 3.24Å; D653-T655 VanDerWaalsContact OD2-OG1 3.06Å; D653-I656 HydrophobicContact CB-CD1 4.32Å; D653-I656 HydrophobicContact CB-CG1 3.79Å; D653-I656 CarbonylContact O-C 3.54Å; D653-I656 VanDerWaalsContact O-C 3.29Å; D653-I656 PolarHBondContact O-N 2.88Å; D653-I656 WeakPolarHBondContact OD2-CG1 3.24Å; D653-P657 VanDerWaalsContact O-CA 3.24Å; D653-P657 WeakPolarHBondContact O-CA 3.43Å; D653-T658 HydrophobicContact CB-CG2 4.23Å; D653-T658 PolarHBondContact N-OG1 2.98Å; D653-T658 PolarHBondContact O-N 3.13Å
654	P	89.9	Confident	91.3	Very high	111 Å²	111	62.9 Å²	62.9	72%	0.721	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.9	177.6	-23	34.3	0	0	0	115
655	T	87.1	Confident	90.9	Very high	96 Å²	96	62.9 Å²	62.9	59%	0.589	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-27.6	-179	73.9	0	0	0	0	112.2	K634 D653	K634-T655 PolarHBondContact NZ-O 3.36Å; D653-T655 PolarHBondContact O-N 3.5Å; D653-T655 WeakPolarHBondContact OD1-CB 3.37Å; D653-T655 WeakPolarHBondContact OD1-CG2 2.99Å; D653-T655 PolarHBondContact OD1-N 3.15Å; D653-T655 PolarHBondContact OD1-OG1 3.4Å; D653-T655 PolarHBondContact OD2-OG1 3.24Å; D653-T655 VanDerWaalsContact OD2-OG1 3.06Å
656	I	88	Confident	90.4	Very high	7 Å²	7	62 Å²	62	4%	0.036	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.1	62.1	175.5	49.7	149.2	0	0	0	108.7	H626 V630 K634 D653 T658	H626-I656 HydrophobicContact CB-CD1 3.69Å; H626-I656 HydrophobicContact CB-CG1 4.45Å; H626-I656 WeakPolarHBondContact CD2-CD1 3.29Å; V630-I656 HydrophobicContact CG1-CB 4.23Å; V630-I656 HydrophobicContact CG1-CD1 4.08Å; V630-I656 HydrophobicContact CG1-CG2 3.67Å; K634-I656 HydrophobicContact CD-CG2 4.16Å; D653-I656 HydrophobicContact CB-CD1 4.32Å; D653-I656 HydrophobicContact CB-CG1 3.79Å; D653-I656 CarbonylContact O-C 3.54Å; D653-I656 VanDerWaalsContact O-C 3.29Å; D653-I656 PolarHBondContact O-N 2.88Å; D653-I656 WeakPolarHBondContact OD2-CG1 3.24Å; I656-T658 VanDerWaalsContact C-N 3.31Å; I656-T658 HydrophobicContact CD1-CG2 3.47Å; I656-T658 VanDerWaalsContact CD1-CG2 3.47Å; I656-T658 HydrophobicContact CG1-CG2 3.84Å; I656-T658 WeakPolarHBondContact O-CA 3.31Å; I656-T658 WeakPolarHBondContact O-CG2 3.35Å; I656-T658 PolarHBondContact O-N 3.41Å
657	P	84.1	Confident	89.4	Confident	100 Å²	100	69.4 Å²	69.4	65%	0.649	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35.2	87.2	-155.4	21.1	-36.1	0	0	0	113.9	D653	D653-P657 VanDerWaalsContact O-CA 3.24Å; D653-P657 WeakPolarHBondContact O-CA 3.43Å
658	T	92.7	Very high	88.3	Confident	11 Å²	11	72 Å²	72	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	144.6	-171.1	58.9	0	0	0	0	110.6	F647 V651 E652 D653 I656	F647-T658 HydrophobicContact CB-CG2 4.02Å; F647-T658 CarbonylContact O-C 3.6Å; F647-T658 VanDerWaalsContact O-CA 3.23Å; F647-T658 WeakPolarHBondContact O-CA 3.25Å; V651-T658 PolarHBondContact O-OG1 3.04Å; E652-T658 VanDerWaalsContact CA-OG1 3.3Å; E652-T658 WeakPolarHBondContact CA-OG1 3.46Å; D653-T658 HydrophobicContact CB-CG2 4.23Å; D653-T658 PolarHBondContact N-OG1 2.98Å; D653-T658 PolarHBondContact O-N 3.13Å; I656-T658 VanDerWaalsContact C-N 3.31Å; I656-T658 HydrophobicContact CD1-CG2 3.47Å; I656-T658 VanDerWaalsContact CD1-CG2 3.47Å; I656-T658 HydrophobicContact CG1-CG2 3.84Å; I656-T658 WeakPolarHBondContact O-CA 3.31Å; I656-T658 WeakPolarHBondContact O-CG2 3.35Å; I656-T658 PolarHBondContact O-N 3.41Å
659	V	93.4	Very high	87.4	Confident	38 Å²	38	72.7 Å²	72.7	23%	0.23	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	113.4	163.7	-177.8	0	0	0	0	107.6	Y646 F647 F648 S649 L661 F680	Y646-V659 HydrophobicContact CD1-CG2 4.32Å; F647-V659 PolarHBondContact O-N 2.89Å; F648-V659 HydrophobicContact CD1-CB 3.73Å; F648-V659 HydrophobicContact CD1-CG1 3.93Å; F648-V659 HydrophobicContact CE1-CB 3.78Å; F648-V659 HydrophobicContact CE1-CG1 3.74Å; F648-V659 HydrophobicContact CE1-CG2 4.25Å; F648-V659 HydrophobicContact CG-CB 4.47Å; S649-V659 PolarHBondContact N-O 2.99Å; S649-V659 VanDerWaalsContact N-O 3.11Å; V659-L661 PolarHBondContact O-N 2.59Å; V659-F680 HydrophobicContact CG1-CD2 4.37Å; V659-F680 HydrophobicContact CG1-CE2 3.97Å; V659-F680 HydrophobicContact CG1-CZ 4.36Å; V659-F680 HydrophobicContact CG2-CZ 4.45Å
660	K	93.4	Very high	87.1	Confident	132 Å²	132	75 Å²	75	57%	0.574	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	120.1	178.4	-176.9	177.4	-179.8	177.1	0	111.3	S649 D650 E652	S649-K660 CarbonylContact O-C 3.53Å; S649-K660 WeakPolarHBondContact O-CA 3.32Å; D650-K660 WeakPolarHBondContact O-CE 3.43Å; E652-K660 HydrophobicContact CB-CB 4.26Å
661	L	92.5	Very high	87.2	Confident	7 Å²	7	73.6 Å²	73.6	4%	0.037	39%	0.385	C	S	.	.			trans	-78.2	148.2	171.5	-62	176.8	0	0	0	110.8	F648 S649 V659 K673 E676 I677	F648-L661 HydrophobicContact CB-CD1 4.15Å; F648-L661 HydrophobicContact CB-CD2 4.35Å; F648-L661 HydrophobicContact CB-CG 4.26Å; F648-L661 HydrophobicContact CD1-CD2 3.73Å; F648-L661 HydrophobicContact CD1-CG 4.41Å; F648-L661 HydrophobicContact CG-CD2 4.47Å; S649-L661 PolarHBondContact O-N 3.17Å; V659-L661 PolarHBondContact O-N 2.59Å; L661-K673 HydrophobicContact CD1-CB 4.09Å; L661-K673 HydrophobicContact CD1-CD 4.23Å; L661-K673 HydrophobicContact CD1-CG 3.9Å; L661-E676 HydrophobicContact CD2-CB 4.29Å; L661-E676 HydrophobicContact CD2-CG 3.88Å; L661-I677 HydrophobicContact CD1-CD1 4.43Å; L661-I677 HydrophobicContact CD1-CG1 4.35Å; L661-I677 HydrophobicContact CD2-CG1 4.05Å
662	K	88.9	Confident	87.3	Confident	193 Å²	193	71.7 Å²	71.7	84%	0.839	38%	0.376	S	S	*	.	S	Bend	trans	-76.4	-30	172.5	-63.5	173.2	-174.4	169.7	0	111.3	E676	K662-E676 WeakPolarHBondContact CB-OE1 3.28Å; K662-E676 WeakPolarHBondContact CG-OE1 3.46Å; K662-E676 PolarHBondContact N-OE1 2.91Å; K662-E676 PolarHBondContact N-OE2 3.18Å
663	T	84.8	Confident	87.4	Confident	27 Å²	27	65 Å²	65	17%	0.166	34%	0.344	C	S	.	.	S	Bend	trans	-69.9	132.6	179.7	-54	0	0	0	0	110.8	A672 K673 E676	T663-A672 HydrophobicContact CG2-CB 3.44Å; T663-A672 VanDerWaalsContact CG2-CB 3.44Å; T663-K673 HydrophobicContact CG2-CG 4.2Å; T663-E676 VanDerWaalsContact CB-OE2 3.3Å; T663-E676 WeakPolarHBondContact CB-OE2 3.5Å; T663-E676 PolarHBondContact N-OE2 3.28Å; T663-E676 PolarHBondContact OG1-OE2 3.25Å
664	K	84.1	Confident	87.6	Confident	181 Å²	181	63.6 Å²	63.6	79%	0.787	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-68.3	150.1	174.8	-68.4	-176.2	178.7	-178.8	0	110.7	T666	K664-T666 PolarHBondContact O-N 2.87Å
665	N	84.5	Confident	87.9	Confident	47 Å²	47	59.3 Å²	59.3	25%	0.251	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-63.9	136.4	172.2	-167.2	49.1	0	0	0	111.5	D650 K673	D650-N665 HydrophobicContact CB-CB 4.36Å; N665-K673 WeakPolarHBondContact OD1-CE 3.41Å; N665-K673 PolarHBondContact OD1-NZ 2.67Å
666	T	83	Confident	88.4	Confident	26 Å²	26	56.6 Å²	56.6	16%	0.16	29%	0.288	C	S	.	.			trans	-110.2	144	172.5	45.9	0	0	0	0	108.4	K664 G669 H670 D768	K664-T666 PolarHBondContact O-N 2.87Å; T666-G669 WeakPolarHBondContact CB-O 3.32Å; T666-G669 PolarHBondContact OG1-O 2.9Å; T666-H670 PolarHBondContact O-CE1 2.88Å; T666-H670 PolarHBondContact OG1-ND1 3.49Å; T666-D768 HydrophobicContact CG2-CB 3.9Å
667	K	75.7	Confident	88.8	Confident	217 Å²	217	56.3 Å²	56.3	94%	0.943	29%	0.286	S	S	*	.	S	Bend	trans	-73.9	-30.5	178.6	-71.4	-170.3	175.1	-169	0	112.8
668	A	74.1	Confident	89.5	Confident	63 Å²	63	51.5 Å²	51.5	52%	0.521	26%	0.255	S	S	.	.	S	Bend	trans	-134.1	144.3	177.5	0	0	0	0	0	108.7	D768	A668-D768 WeakPolarHBondContact O-CB 3.45Å
669	G	76.1	Confident	89.7	Confident	15 Å²	15	53.3 Å²	53.3	16%	0.155	27%	0.268	C	S	.	.			trans	60.5	136.8	-178.3	0	0	0	0	0	114.2	T666 D768 S769	T666-G669 WeakPolarHBondContact CB-O 3.32Å; T666-G669 PolarHBondContact OG1-O 2.9Å; G669-D768 WeakPolarHBondContact CA-O 3.48Å; G669-S769 CarbonylContact C-O 3.59Å; G669-S769 WeakPolarHBondContact CA-O 3.48Å
670	H	89.4	Confident	89.8	Confident	48 Å²	48	54.3 Å²	54.3	22%	0.222	27%	0.269	C	S	.	.			trans	-126.2	26.4	-170.4	-60.2	-50.1	0	0	0	113.4	T666 A672 K673 T674 S769	T666-H670 PolarHBondContact O-CE1 2.88Å; T666-H670 PolarHBondContact OG1-ND1 3.49Å; H670-A672 PolarHBondContact O-N 3.44Å; H670-K673 HydrophobicContact CB-CB 4.49Å; H670-K673 WeakPolarHBondContact O-CB 3.42Å; H670-K673 PolarHBondContact O-N 2.93Å; H670-K673 VanDerWaalsContact O-N 3.13Å; H670-T674 PolarHBondContact O-N 2.76Å; H670-T674 PolarHBondContact O-OG1 2.74Å; H670-S769 PolarHBondContact N-O 3.16Å
671	C	94.2	Very high	90	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.6	-51.2	-170.9	-169.7	0	0	0	0	113.2	K673 T674 M675 C764 D767 S769 D771 F774	C671-K673 VanDerWaalsContact C-N 3.32Å; C671-K673 PolarHBondContact O-N 3Å; C671-T674 PolarHBondContact O-N 3.12Å; C671-M675 WeakPolarHBondContact O-CG 3.35Å; C671-M675 PolarHBondContact O-N 3.44Å; C671-C764 HydrophobicContact CB-CB 3.93Å; C671-C764 WeakPolarHBondContact CB-SG 3.37Å; C671-C764 PolarHBondContact O-SG 3.17Å; C671-C764 VanDerWaalsContact SG-CA 3.54Å; C671-C764 WeakPolarHBondContact SG-CB 3.36Å; C671-C764 CovalentContact SG-SG 2.04Å; C671-C764 PolarHBondContact SG-SG 3.45Å; C671-D767 PolarHBondContact N-O 3.25Å; C671-S769 WeakPolarHBondContact CB-O 3.46Å; C671-S769 PolarHBondContact N-O 3.05Å; C671-D771 VanDerWaalsContact CA-CB 3.49Å; C671-D771 HydrophobicContact CB-CB 4.07Å; C671-F774 WeakPolarHBondContact SG-CD1 3.44Å
672	A	93.7	Very high	90.2	Very high	13 Å²	13	49.6 Å²	49.6	11%	0.107	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-37.4	-178.4	0	0	0	0	0	112.1	T663 H670 E676 D767	T663-A672 HydrophobicContact CG2-CB 3.44Å; T663-A672 VanDerWaalsContact CG2-CB 3.44Å; H670-A672 PolarHBondContact O-N 3.44Å; A672-E676 WeakPolarHBondContact O-CB 3.46Å; A672-E676 PolarHBondContact O-N 2.8Å; A672-D767 HydrophobicContact CB-CB 3.74Å; A672-D767 PolarHBondContact N-O 3.08Å
673	K	94.4	Very high	90.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.017	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-48.5	174	-77.6	-172.1	161.6	-172.2	0	111.2	T621 L661 T663 N665 H670 C671 E676 I677	T621-K673 PolarHBondContact O-NZ 2.94Å; L661-K673 HydrophobicContact CD1-CB 4.09Å; L661-K673 HydrophobicContact CD1-CD 4.23Å; L661-K673 HydrophobicContact CD1-CG 3.9Å; T663-K673 HydrophobicContact CG2-CG 4.2Å; N665-K673 WeakPolarHBondContact OD1-CE 3.41Å; N665-K673 PolarHBondContact OD1-NZ 2.67Å; H670-K673 HydrophobicContact CB-CB 4.49Å; H670-K673 WeakPolarHBondContact O-CB 3.42Å; H670-K673 PolarHBondContact O-N 2.93Å; H670-K673 VanDerWaalsContact O-N 3.13Å; C671-K673 VanDerWaalsContact C-N 3.32Å; C671-K673 PolarHBondContact O-N 3Å; K673-E676 PolarHBondContact O-N 3.45Å; K673-I677 VanDerWaalsContact O-CG1 3.29Å; K673-I677 WeakPolarHBondContact O-CG1 3.43Å; K673-I677 PolarHBondContact O-N 3.1Å
674	T	96.4	Very high	90.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-48.8	179.5	-62.5	0	0	0	0	111.2	R620 H670 C671 E676 I677 L678 L696 F744 D771 L775	R620-T674 PolarHBondContact NH1-OG1 2.96Å; H670-T674 PolarHBondContact O-N 2.76Å; H670-T674 PolarHBondContact O-OG1 2.74Å; C671-T674 PolarHBondContact O-N 3.12Å; T674-E676 VanDerWaalsContact C-N 3.27Å; T674-E676 PolarHBondContact O-N 3.35Å; T674-I677 PolarHBondContact O-N 3.14Å; T674-I677 VanDerWaalsContact O-N 3.15Å; T674-L678 HydrophobicContact CG2-CD1 4.28Å; T674-L678 HydrophobicContact CG2-CG 4.47Å; T674-L678 WeakPolarHBondContact O-CG 3.47Å; T674-L678 PolarHBondContact O-N 2.93Å; T674-L696 HydrophobicContact CG2-CD2 3.97Å; T674-F744 HydrophobicContact CG2-CD2 4.47Å; T674-F744 HydrophobicContact CG2-CE2 3.48Å; T674-F744 VanDerWaalsContact CG2-CE2 3.48Å; T674-F744 HydrophobicContact CG2-CZ 3.98Å; T674-D771 PolarHBondContact OG1-OD2 3.38Å; T674-L775 HydrophobicContact CG2-CD1 4.24Å
675	M	96.6	Very high	91.3	Very high	20 Å²	20	37.6 Å²	37.6	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-33.1	178.5	-68	-56	-61.8	0	0	112.4	C671 L678 S679 C762 C764 L775	C671-M675 WeakPolarHBondContact O-CG 3.35Å; C671-M675 PolarHBondContact O-N 3.44Å; M675-L678 HydrophobicContact SD-CD1 4.2Å; M675-S679 VanDerWaalsContact O-CB 3.32Å; M675-S679 WeakPolarHBondContact O-CB 3.44Å; M675-S679 PolarHBondContact O-N 3.33Å; M675-S679 PolarHBondContact O-OG 3.33Å; M675-C762 HydrophobicContact CE-CB 4.24Å; M675-C764 WeakPolarHBondContact CG-SG 3.44Å; M675-L775 HydrophobicContact SD-CD1 4.15Å
676	E	96	Very high	91.6	Very high	40 Å²	40	43.4 Å²	43.4	19%	0.187	22%	0.222	C	C	.	.	H	α-helix	trans	-67	-41.7	173.2	-171.4	173.8	179.9	0	0	111.9	L661 K662 T663 A672 K673 T674 S679 F680	L661-E676 HydrophobicContact CD2-CB 4.29Å; L661-E676 HydrophobicContact CD2-CG 3.88Å; K662-E676 WeakPolarHBondContact CB-OE1 3.28Å; K662-E676 WeakPolarHBondContact CG-OE1 3.46Å; K662-E676 PolarHBondContact N-OE1 2.91Å; K662-E676 PolarHBondContact N-OE2 3.18Å; T663-E676 VanDerWaalsContact CB-OE2 3.3Å; T663-E676 WeakPolarHBondContact CB-OE2 3.5Å; T663-E676 PolarHBondContact N-OE2 3.28Å; T663-E676 PolarHBondContact OG1-OE2 3.25Å; A672-E676 WeakPolarHBondContact O-CB 3.46Å; A672-E676 PolarHBondContact O-N 2.8Å; K673-E676 PolarHBondContact O-N 3.45Å; T674-E676 VanDerWaalsContact C-N 3.27Å; T674-E676 PolarHBondContact O-N 3.35Å; E676-S679 PolarHBondContact O-N 3.1Å; E676-F680 WeakPolarHBondContact O-CB 3.13Å; E676-F680 PolarHBondContact O-N 2.93Å
677	I	97.2	Very high	91.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-46.4	174.7	-66.4	167.3	0	0	0	110.8	A618 R620 F648 L661 K673 T674 S679 F680 F681 L696	A618-I677 HydrophobicContact CB-CG2 4.38Å; R620-I677 HydrophobicContact CB-CD1 4.26Å; R620-I677 HydrophobicContact CG-CD1 4.37Å; F648-I677 HydrophobicContact CB-CD1 3.78Å; F648-I677 HydrophobicContact CB-CG1 3.95Å; F648-I677 HydrophobicContact CD1-CG1 3.82Å; F648-I677 HydrophobicContact CD2-CD1 4.3Å; F648-I677 HydrophobicContact CD2-CG1 4.18Å; F648-I677 HydrophobicContact CD2-CG2 4.22Å; F648-I677 HydrophobicContact CE1-CG1 4.34Å; F648-I677 HydrophobicContact CE2-CG2 4.08Å; F648-I677 HydrophobicContact CG-CD1 3.98Å; F648-I677 HydrophobicContact CG-CG1 3.71Å; F648-I677 HydrophobicContact CZ-CG2 4.25Å; L661-I677 HydrophobicContact CD1-CD1 4.43Å; L661-I677 HydrophobicContact CD1-CG1 4.35Å; L661-I677 HydrophobicContact CD2-CG1 4.05Å; K673-I677 VanDerWaalsContact O-CG1 3.29Å; K673-I677 WeakPolarHBondContact O-CG1 3.43Å; K673-I677 PolarHBondContact O-N 3.1Å; T674-I677 PolarHBondContact O-N 3.14Å; T674-I677 VanDerWaalsContact O-N 3.15Å; I677-S679 VanDerWaalsContact C-N 3.34Å; I677-S679 PolarHBondContact O-N 3.45Å; I677-F680 WeakPolarHBondContact O-CB 2.97Å; I677-F680 PolarHBondContact O-N 3.4Å; I677-F681 HydrophobicContact CG2-CD2 3.84Å; I677-F681 HydrophobicContact CG2-CE2 3.8Å; I677-F681 WeakPolarHBondContact O-CD2 3.45Å; I677-F681 PolarHBondContact O-N 3.42Å; I677-L696 HydrophobicContact CD1-CD1 4.21Å; I677-L696 HydrophobicContact CG2-CD1 4.18Å
678	L	97.8	Very high	92.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-44	176.7	-67.4	-178.6	0	0	0	111.3	T674 M675 F680 F681 E682 L694 F750 I755 F758 V759 L775	T674-L678 HydrophobicContact CG2-CD1 4.28Å; T674-L678 HydrophobicContact CG2-CG 4.47Å; T674-L678 WeakPolarHBondContact O-CG 3.47Å; T674-L678 PolarHBondContact O-N 2.93Å; M675-L678 HydrophobicContact SD-CD1 4.2Å; L678-F680 VanDerWaalsContact C-N 3.32Å; L678-F680 PolarHBondContact O-N 2.95Å; L678-F681 PolarHBondContact O-N 3.4Å; L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 3.39Å; L678-L694 HydrophobicContact CD2-CD2 3.85Å; L678-F750 HydrophobicContact CD1-CE1 4.45Å; L678-F750 HydrophobicContact CD2-CD1 4.35Å; L678-F750 HydrophobicContact CD2-CD2 4.28Å; L678-F750 HydrophobicContact CD2-CE1 4.36Å; L678-F750 HydrophobicContact CD2-CE2 4.3Å; L678-F750 HydrophobicContact CD2-CG 4.31Å; L678-F750 HydrophobicContact CD2-CZ 4.34Å; L678-I755 HydrophobicContact CB-CG2 4.13Å; L678-I755 HydrophobicContact CD2-CG1 4.25Å; L678-I755 HydrophobicContact CD2-CG2 4.35Å; L678-I755 WeakPolarHBondContact O-CG2 3.48Å; L678-F758 HydrophobicContact CD1-CB 4.4Å; L678-V759 HydrophobicContact CB-CG2 3.79Å; L678-L775 HydrophobicContact CD1-CD2 3.84Å
679	S	96.8	Very high	92.9	Very high	48 Å²	48	44.9 Å²	44.9	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-62.3	-38.9	175.9	-58.2	0	0	0	0	112.1	M675 E676 I677 E682 Q683	M675-S679 VanDerWaalsContact O-CB 3.32Å; M675-S679 WeakPolarHBondContact O-CB 3.44Å; M675-S679 PolarHBondContact O-N 3.33Å; M675-S679 PolarHBondContact O-OG 3.33Å; E676-S679 PolarHBondContact O-N 3.1Å; I677-S679 VanDerWaalsContact C-N 3.34Å; I677-S679 PolarHBondContact O-N 3.45Å; S679-E682 PolarHBondContact O-N 2.92Å; S679-Q683 PolarHBondContact O-N 3.16Å; S679-Q683 VanDerWaalsContact O-N 3.1Å
680	F	97	Very high	93.5	Very high	59 Å²	59	48 Å²	48	26%	0.259	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-45.8	174.8	174.8	-87.3	0	0	0	111.2	F648 V659 E676 I677 L678 Q683 Y684	F648-F680 HydrophobicContact CE1-CB 4.37Å; F648-F680 AromaticContact CE1-CD1 3.77Å; F648-F680 HydrophobicContact CE1-CD1 3.77Å; F648-F680 HydrophobicContact CE1-CD2 4.4Å; F648-F680 HydrophobicContact CE1-CE1 4.11Å; F648-F680 AromaticContact CE1-CG 3.93Å; F648-F680 HydrophobicContact CE1-CG 3.93Å; F648-F680 AromaticContact CZ-CD1 3.58Å; F648-F680 HydrophobicContact CZ-CD1 3.58Å; F648-F680 AromaticContact CZ-CE1 3.78Å; F648-F680 HydrophobicContact CZ-CE1 3.78Å; F648-F680 HydrophobicContact CZ-CG 4.22Å; V659-F680 HydrophobicContact CG1-CD2 4.37Å; V659-F680 HydrophobicContact CG1-CE2 3.97Å; V659-F680 HydrophobicContact CG1-CZ 4.36Å; V659-F680 HydrophobicContact CG2-CZ 4.45Å; E676-F680 WeakPolarHBondContact O-CB 3.13Å; E676-F680 PolarHBondContact O-N 2.93Å; I677-F680 WeakPolarHBondContact O-CB 2.97Å; I677-F680 PolarHBondContact O-N 3.4Å; L678-F680 VanDerWaalsContact C-N 3.32Å; L678-F680 PolarHBondContact O-N 2.95Å; F680-Q683 PolarHBondContact O-N 3.48Å; F680-Y684 HydrophobicContact CE1-CD2 4.27Å; F680-Y684 VanDerWaalsContact O-CB 3.32Å; F680-Y684 WeakPolarHBondContact O-CB 3.31Å; F680-Y684 PolarHBondContact O-N 2.94Å
681	F	97.2	Very high	93.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-75	-29	-179.8	-77	-61.9	0	0	0	113.9	I616 A618 Y646 F648 I677 L678 Q683 Y684 G685 F691 L694 I755	I616-F681 HydrophobicContact CD1-CD1 4.08Å; I616-F681 HydrophobicContact CD1-CE1 3.99Å; I616-F681 HydrophobicContact CG2-CD1 4.28Å; I616-F681 HydrophobicContact CG2-CE1 3.51Å; I616-F681 HydrophobicContact CG2-CZ 3.64Å; A618-F681 HydrophobicContact CB-CE2 3.58Å; A618-F681 HydrophobicContact CB-CZ 4.04Å; Y646-F681 HydrophobicContact CD2-CE1 4.23Å; Y646-F681 HydrophobicContact CD2-CZ 4.1Å; Y646-F681 HydrophobicContact CE2-CE1 4.47Å; Y646-F681 HydrophobicContact CG-CZ 4.22Å; F648-F681 AromaticContact CE2-CE2 3.4Å; F648-F681 HydrophobicContact CE2-CE2 3.4Å; F648-F681 VanDerWaalsContact CE2-CE2 3.4Å; F648-F681 AromaticContact CE2-CZ 3.58Å; F648-F681 HydrophobicContact CE2-CZ 3.58Å; F648-F681 HydrophobicContact CZ-CD2 4.3Å; F648-F681 AromaticContact CZ-CE2 3.39Å; F648-F681 HydrophobicContact CZ-CE2 3.39Å; F648-F681 AromaticContact CZ-CZ 3.53Å; F648-F681 HydrophobicContact CZ-CZ 3.53Å; I677-F681 HydrophobicContact CG2-CD2 3.84Å; I677-F681 HydrophobicContact CG2-CE2 3.8Å; I677-F681 WeakPolarHBondContact O-CD2 3.45Å; I677-F681 PolarHBondContact O-N 3.42Å; L678-F681 PolarHBondContact O-N 3.4Å; F681-Q683 VanDerWaalsContact C-N 3.32Å; F681-Y684 HydrophobicContact CD1-CD1 4.42Å; F681-Y684 HydrophobicContact CD1-CG 4.3Å; F681-Y684 PolarHBondContact O-N 2.98Å; F681-G685 PolarHBondContact O-N 3.25Å; F681-F691 HydrophobicContact CB-CE1 4.38Å; F681-F691 HydrophobicContact CB-CZ 3.92Å; F681-F691 HydrophobicContact CD1-CE1 4.43Å; F681-F691 HydrophobicContact CD1-CZ 4.48Å; F681-F691 WeakPolarHBondContact O-CE1 3.2Å; F681-L694 HydrophobicContact CB-CD2 4.11Å; F681-L694 HydrophobicContact CD1-CD1 4.39Å; F681-L694 HydrophobicContact CD2-CD1 3.51Å; F681-L694 HydrophobicContact CD2-CD2 3.6Å; F681-L694 HydrophobicContact CD2-CG 4.22Å; F681-L694 HydrophobicContact CE1-CD1 4.43Å; F681-L694 HydrophobicContact CE2-CD1 3.51Å; F681-L694 HydrophobicContact CE2-CD2 4.34Å; F681-L694 HydrophobicContact CG-CD1 3.97Å; F681-L694 HydrophobicContact CG-CD2 4.06Å; F681-L694 HydrophobicContact CZ-CD1 3.98Å; F681-I755 HydrophobicContact CB-CD1 4.33Å
682	E	96	Very high	93.7	Very high	41 Å²	41	48 Å²	48	19%	0.192	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-44.7	169.2	-158.4	-154.2	175.2	0	0	111	L678 S679 R686 I755 V759	L678-E682 WeakPolarHBondContact O-CB 3.47Å; L678-E682 PolarHBondContact O-N 3.39Å; S679-E682 PolarHBondContact O-N 2.92Å; E682-R686 IonicContact OE1-CZ 2.86Å; E682-R686 IonicContact OE1-NH1 3.93Å; E682-R686 PolarHBondContact OE1-NH1 2.6Å; E682-R686 IonicContact OE1-NH2 3.39Å; E682-R686 PolarHBondContact OE1-NH2 3.15Å; E682-R686 IonicContact OE2-CZ 2.75Å; E682-R686 IonicContact OE2-NH2 2.92Å; E682-R686 PolarHBondContact OE2-NH2 2.79Å; E682-I755 HydrophobicContact CB-CG2 4Å; E682-V759 WeakPolarHBondContact OE2-CG1 3.48Å
683	Q	94.7	Very high	93.8	Very high	98 Å²	98	47.5 Å²	47.5	46%	0.458	25%	0.245	S	C	.	.	H	α-helix	trans	-69.6	-43.7	175	-173	176.6	7.8	0	0	111.9	S679 F680 F681 G685 R686 E687	S679-Q683 PolarHBondContact O-N 3.16Å; S679-Q683 VanDerWaalsContact O-N 3.1Å; F680-Q683 PolarHBondContact O-N 3.48Å; F681-Q683 VanDerWaalsContact C-N 3.32Å; Q683-G685 VanDerWaalsContact C-N 3.35Å; Q683-G685 PolarHBondContact O-N 3.35Å; Q683-R686 PolarHBondContact O-N 3.46Å; Q683-R686 VanDerWaalsContact O-N 3.13Å; Q683-E687 VanDerWaalsContact CG-CD 3.46Å; Q683-E687 HydrophobicContact CG-CG 4.24Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.49Å; Q683-E687 VanDerWaalsContact NE2-CD 3.31Å; Q683-E687 PolarHBondContact NE2-OE1 3.12Å; Q683-E687 PolarHBondContact NE2-OE2 3.24Å; Q683-E687 VanDerWaalsContact NE2-OE2 3.08Å; Q683-E687 PolarHBondContact O-N 3.41Å
684	Y	94.7	Very high	94	Very high	24 Å²	24	47.3 Å²	47.3	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-58.1	-44.9	179.5	-178.9	-81	0	0	0	112.2	I616 R644 Y646 F680 F681 R686 E687 K688 S689 F691	I616-Y684 HydrophobicContact CD1-CD1 4.03Å; I616-Y684 HydrophobicContact CD1-CE1 3.69Å; R644-Y684 PolarHBondContact NH2-OH 3.49Å; Y646-Y684 WeakPolarHBondContact OH-CE2 3Å; Y646-Y684 PolarHBondContact OH-OH 3.26Å; F680-Y684 HydrophobicContact CE1-CD2 4.27Å; F680-Y684 VanDerWaalsContact O-CB 3.32Å; F680-Y684 WeakPolarHBondContact O-CB 3.31Å; F680-Y684 PolarHBondContact O-N 2.94Å; F681-Y684 HydrophobicContact CD1-CD1 4.42Å; F681-Y684 HydrophobicContact CD1-CG 4.3Å; F681-Y684 PolarHBondContact O-N 2.98Å; Y684-R686 PolarHBondContact O-N 3.23Å; Y684-E687 PolarHBondContact O-N 2.59Å; Y684-K688 HydrophobicContact CD1-CB 4.5Å; Y684-K688 HydrophobicContact CD2-CB 3.99Å; Y684-K688 HydrophobicContact CD2-CD 3.57Å; Y684-K688 HydrophobicContact CD2-CG 4.33Å; Y684-K688 HydrophobicContact CE1-CB 4.46Å; Y684-K688 HydrophobicContact CE2-CB 3.95Å; Y684-K688 HydrophobicContact CE2-CD 3.67Å; Y684-K688 HydrophobicContact CE2-CG 4.46Å; Y684-K688 HydrophobicContact CG-CB 4.25Å; Y684-K688 HydrophobicContact CG-CD 4.47Å; Y684-K688 PolarHBondContact O-N 3.32Å; Y684-S689 WeakPolarHBondContact CE1-O 3.28Å; Y684-S689 PolarHBondContact O-N 3.33Å; Y684-F691 HydrophobicContact CD1-CD1 4.04Å; Y684-F691 HydrophobicContact CD1-CE1 4.11Å; Y684-F691 HydrophobicContact CE1-CD1 4.36Å
685	G	92.1	Very high	94.1	Very high	26 Å²	26	47.3 Å²	47.3	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-29	178.7	0	0	0	0	0	113	F681 Q683	F681-G685 PolarHBondContact O-N 3.25Å; Q683-G685 VanDerWaalsContact C-N 3.35Å; Q683-G685 PolarHBondContact O-N 3.35Å
686	R	89.7	Confident	94.2	Very high	169 Å²	169	46.5 Å²	46.5	64%	0.638	24%	0.24	S	C	*	.	H	α-helix	trans	-81.7	-38.7	176.6	-72.6	-167.9	-84.5	-115.7	10.4	113.8	E682 Q683 Y684	E682-R686 IonicContact OE1-CZ 2.86Å; E682-R686 IonicContact OE1-NH1 3.93Å; E682-R686 PolarHBondContact OE1-NH1 2.6Å; E682-R686 IonicContact OE1-NH2 3.39Å; E682-R686 PolarHBondContact OE1-NH2 3.15Å; E682-R686 IonicContact OE2-CZ 2.75Å; E682-R686 IonicContact OE2-NH2 2.92Å; E682-R686 PolarHBondContact OE2-NH2 2.79Å; Q683-R686 PolarHBondContact O-N 3.46Å; Q683-R686 VanDerWaalsContact O-N 3.13Å; Y684-R686 PolarHBondContact O-N 3.23Å
687	E	90.2	Very high	94.2	Very high	136 Å²	136	44.7 Å²	44.7	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-105.9	-30.5	-167.1	-66.7	177.9	-175	0	0	114.7	Q683 Y684	Q683-E687 VanDerWaalsContact CG-CD 3.46Å; Q683-E687 HydrophobicContact CG-CG 4.24Å; Q683-E687 WeakPolarHBondContact CG-OE1 3.49Å; Q683-E687 VanDerWaalsContact NE2-CD 3.31Å; Q683-E687 PolarHBondContact NE2-OE1 3.12Å; Q683-E687 PolarHBondContact NE2-OE2 3.24Å; Q683-E687 VanDerWaalsContact NE2-OE2 3.08Å; Q683-E687 PolarHBondContact O-N 3.41Å; Y684-E687 PolarHBondContact O-N 2.59Å
688	K	85.4	Confident	94.1	Very high	152 Å²	152	45.7 Å²	45.7	66%	0.661	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.8	-64.3	-168.7	-74.5	-174.8	173.4	-178.9	0	113	Y684	Y684-K688 HydrophobicContact CD1-CB 4.5Å; Y684-K688 HydrophobicContact CD2-CB 3.99Å; Y684-K688 HydrophobicContact CD2-CD 3.57Å; Y684-K688 HydrophobicContact CD2-CG 4.33Å; Y684-K688 HydrophobicContact CE1-CB 4.46Å; Y684-K688 HydrophobicContact CE2-CB 3.95Å; Y684-K688 HydrophobicContact CE2-CD 3.67Å; Y684-K688 HydrophobicContact CE2-CG 4.46Å; Y684-K688 HydrophobicContact CG-CB 4.25Å; Y684-K688 HydrophobicContact CG-CD 4.47Å; Y684-K688 PolarHBondContact O-N 3.32Å
689	S	85.2	Confident	94	Very high	50 Å²	50	46 Å²	46	35%	0.35	24%	0.239	S	C	.	.			trans	-155.5	129.6	-174.3	-178.5	0	0	0	0	109.8	R644 Y684	R644-S689 PolarHBondContact NH2-OG 3.3Å; Y684-S689 WeakPolarHBondContact CE1-O 3.28Å; Y684-S689 PolarHBondContact O-N 3.33Å
690	A	89.1	Confident	93.9	Very high	81 Å²	81	44.3 Å²	44.3	67%	0.669	23%	0.226	S	C	*	.			trans	-58	147.5	168.4	0	0	0	0	0	110.4	R644	R644-A690 PolarHBondContact NH1-O 2.95Å
691	F	93.6	Very high	93.9	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.048	21%	0.214	C	C	.	.			trans	-151.5	156.4	170.6	66.2	-86	0	0	0	107.2	I616 F681 Y684 L694 S752 I755	I616-F691 HydrophobicContact CD1-CB 3.66Å; I616-F691 HydrophobicContact CD1-CD1 3.4Å; I616-F691 HydrophobicContact CD1-CD2 4Å; I616-F691 HydrophobicContact CD1-CE1 4.02Å; I616-F691 HydrophobicContact CD1-CG 3.39Å; I616-F691 HydrophobicContact CG1-CB 3.79Å; I616-F691 HydrophobicContact CG1-CD1 4.39Å; I616-F691 HydrophobicContact CG1-CD2 4.26Å; I616-F691 HydrophobicContact CG1-CG 3.9Å; F681-F691 HydrophobicContact CB-CE1 4.38Å; F681-F691 HydrophobicContact CB-CZ 3.92Å; F681-F691 HydrophobicContact CD1-CE1 4.43Å; F681-F691 HydrophobicContact CD1-CZ 4.48Å; F681-F691 WeakPolarHBondContact O-CE1 3.2Å; Y684-F691 HydrophobicContact CD1-CD1 4.04Å; Y684-F691 HydrophobicContact CD1-CE1 4.11Å; Y684-F691 HydrophobicContact CE1-CD1 4.36Å; F691-L694 HydrophobicContact CE2-CB 3.94Å; F691-S752 WeakPolarHBondContact O-CB 3.23Å; F691-S752 PolarHBondContact O-OG 3.18Å; F691-I755 HydrophobicContact CE2-CD1 3.73Å; F691-I755 HydrophobicContact CZ-CD1 3.74Å
692	T	93.6	Very high	93.9	Very high	36 Å²	36	41.6 Å²	41.6	22%	0.221	21%	0.214	C	C	.	.	S	Bend	trans	-99.2	-43.6	-172.9	-53.8	0	0	0	0	110.4	D614 S717 S752	D614-T692 WeakPolarHBondContact O-CA 3.13Å; D614-T692 WeakPolarHBondContact O-CB 3.08Å; D614-T692 PolarHBondContact O-N 2.89Å; T692-S717 WeakPolarHBondContact CG2-OG 3.4Å; T692-S752 PolarHBondContact O-N 3.25Å
693	W	96.9	Very high	93.9	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.011	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.2	-175.4	-56.5	106.3	0	0	0	111.3	D614 V615 I616 L712 F715 I721 V749 F750	D614-W693 PolarHBondContact O-N 3.4Å; V615-W693 CarbonylContact C-O 3.49Å; V615-W693 WeakPolarHBondContact CA-O 3.48Å; V615-W693 HydrophobicContact CG1-CB 4.3Å; V615-W693 HydrophobicContact CG2-CB 4.2Å; I616-W693 PolarHBondContact N-O 3.1Å; W693-L712 HydrophobicContact CB-CD1 4.14Å; W693-L712 HydrophobicContact CD2-CD1 4.36Å; W693-L712 HydrophobicContact CD2-CD2 4.05Å; W693-L712 HydrophobicContact CE3-CD2 4.22Å; W693-L712 HydrophobicContact CG-CD1 3.88Å; W693-L712 HydrophobicContact CG-CD2 4.42Å; W693-F715 HydrophobicContact CH2-CB 3.84Å; W693-F715 HydrophobicContact CZ2-CB 4.12Å; W693-I721 HydrophobicContact CH2-CD1 4.49Å; W693-I721 HydrophobicContact CZ3-CB 4.45Å; W693-V749 HydrophobicContact CB-CG1 4.15Å; W693-V749 HydrophobicContact CD2-CG1 4.49Å; W693-V749 HydrophobicContact CE3-CG1 3.95Å; W693-F750 CarbonylContact C-O 3.55Å; W693-F750 WeakPolarHBondContact CA-O 3.25Å
694	L	97.9	Very high	93.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.2	167.4	171.9	66.8	0	0	0	108.5	I616 A618 L678 F681 F691 V749 F750 I755	I616-L694 HydrophobicContact CB-CD1 4.22Å; I616-L694 HydrophobicContact CG2-CD1 3.89Å; I616-L694 CarbonylContact O-C 3.57Å; A618-L694 HydrophobicContact CB-CD1 3.75Å; L678-L694 HydrophobicContact CD2-CD2 3.85Å; F681-L694 HydrophobicContact CB-CD2 4.11Å; F681-L694 HydrophobicContact CD1-CD1 4.39Å; F681-L694 HydrophobicContact CD2-CD1 3.51Å; F681-L694 HydrophobicContact CD2-CD2 3.6Å; F681-L694 HydrophobicContact CD2-CG 4.22Å; F681-L694 HydrophobicContact CE1-CD1 4.43Å; F681-L694 HydrophobicContact CE2-CD1 3.51Å; F681-L694 HydrophobicContact CE2-CD2 4.34Å; F681-L694 HydrophobicContact CG-CD1 3.97Å; F681-L694 HydrophobicContact CG-CD2 4.06Å; F681-L694 HydrophobicContact CZ-CD1 3.98Å; F691-L694 HydrophobicContact CE2-CB 3.94Å; L694-V749 CarbonylContact O-C 3.46Å; L694-V749 WeakPolarHBondContact O-CA 3.47Å; L694-F750 HydrophobicContact CB-CB 4.36Å; L694-F750 HydrophobicContact CD2-CD2 4.49Å; L694-F750 PolarHBondContact N-O 3.31Å; L694-F750 PolarHBondContact O-N 3.23Å; L694-I755 HydrophobicContact CB-CD1 3.74Å; L694-I755 HydrophobicContact CD2-CD1 3.66Å; L694-I755 HydrophobicContact CD2-CG1 4.33Å; L694-I755 HydrophobicContact CG-CD1 4.36Å
695	V	98.2	Very high	93.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.2	173.8	-173.5	0	0	0	0	107.1	V615 I616 F617 A618 T697 L703 L708 S748 V749	V615-V695 HydrophobicContact CG1-CG2 3.42Å; V615-V695 VanDerWaalsContact CG1-CG2 3.42Å; I616-V695 PolarHBondContact O-N 3.41Å; F617-V695 HydrophobicContact CD1-CB 3.73Å; F617-V695 HydrophobicContact CD1-CG1 3.93Å; F617-V695 HydrophobicContact CD1-CG2 4Å; F617-V695 HydrophobicContact CE1-CB 4.03Å; F617-V695 HydrophobicContact CE1-CG1 4.12Å; F617-V695 HydrophobicContact CE1-CG2 3.82Å; F617-V695 HydrophobicContact CG-CB 4.42Å; F617-V695 HydrophobicContact CZ-CG2 4.37Å; A618-V695 PolarHBondContact N-O 2.79Å; V695-T697 HydrophobicContact CG1-CG2 4Å; V695-L703 HydrophobicContact CG1-CD1 4.45Å; V695-L708 HydrophobicContact CB-CD2 4.38Å; V695-L708 HydrophobicContact CG1-CD2 3.98Å; V695-L708 HydrophobicContact CG2-CD2 3.5Å; V695-S748 CarbonylContact C-O 3.59Å; V695-S748 WeakPolarHBondContact CA-O 3.41Å; V695-V749 HydrophobicContact CG1-CG2 4.44Å; V695-V749 HydrophobicContact CG2-CG1 4.3Å; V695-V749 HydrophobicContact CG2-CG2 4.32Å
696	L	98.2	Very high	93.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123	176.8	-178.6	63.6	0	0	0	109.2	A618 T674 I677 S748 F750	A618-L696 HydrophobicContact CB-CD1 4.12Å; A618-L696 WeakPolarHBondContact O-CA 3.24Å; T674-L696 HydrophobicContact CG2-CD2 3.97Å; I677-L696 HydrophobicContact CD1-CD1 4.21Å; I677-L696 HydrophobicContact CG2-CD1 4.18Å; L696-S748 PolarHBondContact N-O 3.46Å; L696-S748 PolarHBondContact O-N 3.26Å; L696-S748 PolarHBondContact O-OG 2.85Å; L696-F750 HydrophobicContact CB-CD2 4.45Å; L696-F750 HydrophobicContact CB-CE2 3.95Å; L696-F750 HydrophobicContact CD2-CE2 4.15Å
697	T	96.9	Very high	93.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	159.9	178.8	72.1	0	0	0	0	111.3	A618 V619 R620 W637 V695 T701	A618-T697 PolarHBondContact O-N 2.82Å; V619-T697 WeakPolarHBondContact CA-O 3.47Å; R620-T697 PolarHBondContact N-O 2.96Å; W637-T697 HydrophobicContact CH2-CG2 4.5Å; W637-T697 HydrophobicContact CZ2-CG2 4.49Å; V695-T697 HydrophobicContact CG1-CG2 4Å; T697-T701 HydrophobicContact CG2-CG2 4.33Å
698	D	95.1	Very high	93.9	Very high	22 Å²	22	21.5 Å²	21.5	12%	0.118	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	168.9	167.1	-78.3	-34	0	0	0	111.4	R620 D700 T701	R620-D698 IonicContact CZ-OD1 3.2Å; R620-D698 IonicContact NE-OD1 3.06Å; R620-D698 PolarHBondContact NE-OD1 3.25Å; R620-D698 VanDerWaalsContact NH2-CG 3.26Å; R620-D698 IonicContact NH2-OD1 3.01Å; R620-D698 PolarHBondContact NH2-OD1 2.71Å; R620-D698 IonicContact NH2-OD2 4Å; R620-D698 PolarHBondContact NH2-OD2 2.84Å; D698-D700 WeakPolarHBondContact CB-OD1 3.3Å; D698-D700 PolarHBondContact O-N 2.75Å; D698-T701 PolarHBondContact N-OG1 3.4Å; D698-T701 VanDerWaalsContact N-OG1 3.09Å; D698-T701 PolarHBondContact O-N 3.42Å; D698-T701 PolarHBondContact O-OG1 2.94Å
699	D	95	Very high	94.3	Very high	7 Å²	7	15 Å²	15	4%	0.037	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-7.9	179.8	57.2	27.6	0	0	0	114.1	V619 R620 T621 N625 R629 V630 L633 F816	V619-D699 HydrophobicContact CG1-CB 4.3Å; R620-D699 PolarHBondContact O-N 3.38Å; T621-D699 WeakPolarHBondContact CA-OD2 3.33Å; T621-D699 WeakPolarHBondContact CB-OD2 3.3Å; T621-D699 PolarHBondContact OG1-OD2 3.33Å; N625-D699 WeakPolarHBondContact CB-OD2 3.14Å; N625-D699 VanDerWaalsContact ND2-CG 3.28Å; N625-D699 PolarHBondContact ND2-OD1 2.98Å; N625-D699 VanDerWaalsContact ND2-OD1 3.12Å; N625-D699 PolarHBondContact ND2-OD2 3.33Å; R629-D699 HydrophobicContact CB-CB 4.22Å; R629-D699 WeakPolarHBondContact CB-O 3.19Å; R629-D699 WeakPolarHBondContact CD-OD1 3.25Å; R629-D699 IonicContact CZ-OD1 3.44Å; R629-D699 IonicContact NE-OD1 3.38Å; R629-D699 IonicContact NH1-OD1 3.6Å; R629-D699 PolarHBondContact NH1-OD1 2.98Å; V630-D699 HydrophobicContact CG2-CB 4.25Å; L633-D699 HydrophobicContact CD1-CB 4.47Å; L633-D699 WeakPolarHBondContact CD1-O 3.25Å; D699-F816 WeakPolarHBondContact O-CE2 3.17Å
700	D	95.6	Very high	94.4	Very high	12 Å²	12	18.4 Å²	18.4	6%	0.064	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	20.6	174	53.9	4.8	0	0	0	113.9	R629 D698 H814 S815 F816	R629-D700 IonicContact CZ-OD2 2.89Å; R629-D700 VanDerWaalsContact NH1-CG 3.32Å; R629-D700 IonicContact NH1-OD1 3.9Å; R629-D700 IonicContact NH1-OD2 3.42Å; R629-D700 PolarHBondContact NH1-OD2 3.16Å; R629-D700 IonicContact NH2-OD2 2.81Å; D698-D700 WeakPolarHBondContact CB-OD1 3.3Å; D698-D700 PolarHBondContact O-N 2.75Å; D700-H814 IonicContact OD1-CD2 3.32Å; D700-H814 PolarHBondContact OD1-CD2 2.98Å; D700-H814 IonicContact OD1-NE2 3.6Å; D700-H814 PolarHBondContact OD1-NE2 3.39Å; D700-S815 PolarHBondContact O-N 2.75Å; D700-S815 VanDerWaalsContact O-N 3.07Å; D700-F816 VanDerWaalsContact C-CE1 3.47Å; D700-F816 HydrophobicContact CB-CB 4.46Å; D700-F816 HydrophobicContact CB-CD1 3.99Å; D700-F816 HydrophobicContact CB-CD2 3.99Å; D700-F816 HydrophobicContact CB-CE1 4.22Å; D700-F816 HydrophobicContact CB-CE2 4.22Å; D700-F816 HydrophobicContact CB-CG 3.88Å; D700-F816 HydrophobicContact CB-CZ 4.35Å; D700-F816 WeakPolarHBondContact O-CD1 3.47Å; D700-F816 VanDerWaalsContact O-CE1 3.31Å; D700-F816 WeakPolarHBondContact O-CE1 3.35Å
701	T	97.2	Very high	94.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	122.9	171	-46.6	0	0	0	0	110.8	L633 W637 T697 D698 G745	L633-T701 VanDerWaalsContact CD2-O 3.23Å; L633-T701 WeakPolarHBondContact CD2-O 3.45Å; W637-T701 PolarHBondContact NE1-O 2.54Å; T697-T701 HydrophobicContact CG2-CG2 4.33Å; D698-T701 PolarHBondContact N-OG1 3.4Å; D698-T701 VanDerWaalsContact N-OG1 3.09Å; D698-T701 PolarHBondContact O-N 3.42Å; D698-T701 PolarHBondContact O-OG1 2.94Å; T701-G745 WeakPolarHBondContact CG2-O 3.21Å; T701-G745 PolarHBondContact OG1-O 3.48Å
702	L	96.8	Very high	94.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	139.7	167.9	-60.7	175.5	0	0	0	109.9	T636 S812 F813 F816 M819 P821 A824 Y825 L829	T636-L702 HydrophobicContact CG2-CD2 4.41Å; L702-S812 WeakPolarHBondContact O-CA 3.37Å; L702-S812 VanDerWaalsContact O-CB 3.25Å; L702-S812 WeakPolarHBondContact O-CB 3.22Å; L702-F813 PolarHBondContact N-O 3.47Å; L702-F813 PolarHBondContact O-N 3.01Å; L702-F816 HydrophobicContact CD2-CE1 3.58Å; L702-F816 HydrophobicContact CD2-CZ 4.03Å; L702-F816 HydrophobicContact CG-CD1 4.49Å; L702-F816 HydrophobicContact CG-CE1 3.76Å; L702-M819 HydrophobicContact CD1-CE 4.29Å; L702-P821 HydrophobicContact CD1-CB 4.33Å; L702-P821 VanDerWaalsContact CD1-O 3.29Å; L702-P821 WeakPolarHBondContact CD1-O 3.21Å; L702-P821 HydrophobicContact CD2-CB 4.36Å; L702-A824 HydrophobicContact CD1-CB 4.16Å; L702-Y825 HydrophobicContact CB-CD2 4.5Å; L702-L829 HydrophobicContact CB-CD1 3.44Å; L702-L829 VanDerWaalsContact CB-CD1 3.44Å
703	L	95.2	Very high	94.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140	-176.4	-174.4	105.9	0	0	0	112.1	F617 W637 V695 A705 L708 V811 Y825	F617-L703 HydrophobicContact CD1-CD2 4.1Å; F617-L703 HydrophobicContact CE1-CD2 3.59Å; W637-L703 WeakPolarHBondContact CB-O 3.43Å; W637-L703 VanDerWaalsContact CD1-N 3.3Å; W637-L703 HydrophobicContact CD2-CB 3.83Å; W637-L703 HydrophobicContact CD2-CD2 4.36Å; W637-L703 HydrophobicContact CE3-CB 4.28Å; W637-L703 HydrophobicContact CE3-CD2 3.96Å; W637-L703 HydrophobicContact CG-CB 4.04Å; W637-L703 HydrophobicContact CZ2-CB 4.35Å; W637-L703 HydrophobicContact CZ3-CD2 4.09Å; V695-L703 HydrophobicContact CG1-CD1 4.45Å; L703-A705 HydrophobicContact CD2-CB 4.01Å; L703-L708 HydrophobicContact CD1-CD2 4.34Å; L703-L708 HydrophobicContact CD2-CD2 4.25Å; L703-V811 CarbonylContact C-O 3.53Å; L703-V811 VanDerWaalsContact CA-O 3.25Å; L703-V811 WeakPolarHBondContact CA-O 3.44Å; L703-V811 HydrophobicContact CD1-CG1 3.85Å; L703-Y825 WeakPolarHBondContact O-CE2 3.35Å
704	N	94.5	Very high	93.7	Very high	22 Å²	22	17.5 Å²	17.5	12%	0.118	10%	0.098	C	C	.	.			trans	-97.3	104.9	159	-179	-29	0	0	0	109.5	G706 N707 L708 V811 L829	N704-G706 VanDerWaalsContact C-N 3.32Å; N704-G706 PolarHBondContact O-N 3.04Å; N704-G706 WeakPolarHBondContact OD1-CA 3.33Å; N704-G706 PolarHBondContact OD1-N 3.36Å; N704-N707 HydrophobicContact CB-CB 4.14Å; N704-N707 PolarHBondContact ND2-ND2 3.3Å; N704-N707 PolarHBondContact O-N 3.02Å; N704-N707 PolarHBondContact OD1-N 2.89Å; N704-L708 PolarHBondContact O-N 3.42Å; N704-L708 VanDerWaalsContact O-N 3.08Å; N704-V811 PolarHBondContact N-O 3.39Å; N704-L829 HydrophobicContact CB-CB 4.27Å; N704-L829 HydrophobicContact CB-CD2 4.13Å; N704-L829 PolarHBondContact ND2-O 2.85Å
705	A	92.9	Very high	93.3	Very high	12 Å²	12	19.9 Å²	19.9	10%	0.099	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-30.1	-178.8	0	0	0	0	0	113.4	F612 F617 L643 L703 L708 L709	F612-A705 HydrophobicContact CE1-CB 3.85Å; F617-A705 HydrophobicContact CE1-CB 4.29Å; F617-A705 HydrophobicContact CZ-CB 4.03Å; L643-A705 HydrophobicContact CD2-CB 4.08Å; L703-A705 HydrophobicContact CD2-CB 4.01Å; A705-L708 WeakPolarHBondContact O-CB 3.32Å; A705-L708 PolarHBondContact O-N 2.66Å; A705-L709 WeakPolarHBondContact O-CG 3.43Å; A705-L709 PolarHBondContact O-N 2.88Å
706	G	90.8	Very high	92.8	Very high	30 Å²	30	24.3 Å²	24.3	31%	0.309	13%	0.132	S	C	.	.	H	α-helix	trans	-70.6	-40.7	177.6	0	0	0	0	0	112.9	N704 L708 L709 K710	N704-G706 VanDerWaalsContact C-N 3.32Å; N704-G706 PolarHBondContact O-N 3.04Å; N704-G706 WeakPolarHBondContact OD1-CA 3.33Å; N704-G706 PolarHBondContact OD1-N 3.36Å; G706-L708 VanDerWaalsContact C-N 3.29Å; G706-L709 PolarHBondContact O-N 3.19Å; G706-K710 WeakPolarHBondContact O-CG 3.23Å; G706-K710 PolarHBondContact O-N 3.06Å
707	N	91.7	Very high	92.2	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	15%	0.149	C	C	.	.	H	α-helix	trans	-66.4	-35.1	172.6	-75.8	-5.9	0	0	0	111.6	N704 K710 L711 D808 S809 T810 V811	N704-N707 HydrophobicContact CB-CB 4.14Å; N704-N707 PolarHBondContact ND2-ND2 3.3Å; N704-N707 PolarHBondContact O-N 3.02Å; N704-N707 PolarHBondContact OD1-N 2.89Å; N707-K710 PolarHBondContact O-N 2.99Å; N707-L711 WeakPolarHBondContact O-CB 3.5Å; N707-L711 PolarHBondContact O-N 3.09Å; N707-D808 PolarHBondContact ND2-O 2.86Å; N707-D808 PolarHBondContact OD1-O 3.38Å; N707-S809 VanDerWaalsContact ND2-C 3.32Å; N707-S809 WeakPolarHBondContact ND2-CA 3.37Å; N707-T810 PolarHBondContact ND2-O 3.25Å; N707-V811 HydrophobicContact CB-CG2 4.25Å
708	L	93.3	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-48	172.6	177.5	63.7	0	0	0	112	F617 V695 L703 N704 A705 G706 K710 L711 L712 V749 F792 V811	F617-L708 HydrophobicContact CE1-CD2 3.72Å; F617-L708 HydrophobicContact CZ-CD2 4.13Å; V695-L708 HydrophobicContact CB-CD2 4.38Å; V695-L708 HydrophobicContact CG1-CD2 3.98Å; V695-L708 HydrophobicContact CG2-CD2 3.5Å; L703-L708 HydrophobicContact CD1-CD2 4.34Å; L703-L708 HydrophobicContact CD2-CD2 4.25Å; N704-L708 PolarHBondContact O-N 3.42Å; N704-L708 VanDerWaalsContact O-N 3.08Å; A705-L708 WeakPolarHBondContact O-CB 3.32Å; A705-L708 PolarHBondContact O-N 2.66Å; G706-L708 VanDerWaalsContact C-N 3.29Å; L708-K710 PolarHBondContact O-N 3.26Å; L708-L711 WeakPolarHBondContact O-CB 3.5Å; L708-L711 PolarHBondContact O-N 3.49Å; L708-L711 VanDerWaalsContact O-N 3.12Å; L708-L712 HydrophobicContact CD1-CD1 4.13Å; L708-L712 HydrophobicContact CD1-CD2 4.39Å; L708-L712 HydrophobicContact CD1-CG 4.07Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 HydrophobicContact CG-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.33Å; L708-L712 PolarHBondContact O-N 2.81Å; L708-V749 HydrophobicContact CD1-CG2 3.88Å; L708-F792 HydrophobicContact CD1-CE2 4.5Å; L708-F792 HydrophobicContact CD1-CZ 3.81Å; L708-V811 HydrophobicContact CB-CG1 3.99Å; L708-V811 HydrophobicContact CD1-CG1 4.02Å
709	L	91.9	Very high	91.8	Very high	15 Å²	15	33.4 Å²	33.4	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-57.8	-47.5	178.5	-67.7	179.7	0	0	0	111.7	V610 F612 V615 A705 G706 L711 L712 E713	V610-L709 HydrophobicContact CG1-CD2 3.94Å; F612-L709 HydrophobicContact CD1-CD1 3.82Å; F612-L709 HydrophobicContact CD2-CD1 3.77Å; F612-L709 HydrophobicContact CE1-CD1 3.65Å; F612-L709 HydrophobicContact CE1-CG 4.33Å; F612-L709 HydrophobicContact CE2-CD1 3.6Å; F612-L709 HydrophobicContact CG-CD1 3.89Å; F612-L709 HydrophobicContact CZ-CD1 3.54Å; V615-L709 HydrophobicContact CB-CD2 4.46Å; V615-L709 HydrophobicContact CG2-CD2 3.56Å; A705-L709 WeakPolarHBondContact O-CG 3.43Å; A705-L709 PolarHBondContact O-N 2.88Å; G706-L709 PolarHBondContact O-N 3.19Å; L709-L711 PolarHBondContact O-N 2.98Å; L709-L712 PolarHBondContact O-N 3.39Å; L709-E713 PolarHBondContact O-N 2.89Å; L709-E713 VanDerWaalsContact O-N 3.14Å
710	K	88.2	Confident	91.9	Very high	123 Å²	123	34.1 Å²	34.1	54%	0.535	19%	0.194	S	C	.	.	H	α-helix	trans	-57.7	-36.5	175.6	-68.5	172.9	-175.1	169.2	0	112.9	G706 N707 L708	G706-K710 WeakPolarHBondContact O-CG 3.23Å; G706-K710 PolarHBondContact O-N 3.06Å; N707-K710 PolarHBondContact O-N 2.99Å; L708-K710 PolarHBondContact O-N 3.26Å
711	L	90	Very high	91.9	Very high	16 Å²	16	34 Å²	34	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-69.7	-40.6	175.6	176.2	64.5	0	0	0	111.4	N707 L708 L709 E713 C714 F715 L723 L791 F792 V811	N707-L711 WeakPolarHBondContact O-CB 3.5Å; N707-L711 PolarHBondContact O-N 3.09Å; L708-L711 WeakPolarHBondContact O-CB 3.5Å; L708-L711 PolarHBondContact O-N 3.49Å; L708-L711 VanDerWaalsContact O-N 3.12Å; L709-L711 PolarHBondContact O-N 2.98Å; L711-E713 VanDerWaalsContact C-N 3.27Å; L711-E713 PolarHBondContact O-N 2.85Å; L711-C714 VanDerWaalsContact O-CB 3.31Å; L711-C714 WeakPolarHBondContact O-CB 3.34Å; L711-C714 PolarHBondContact O-N 3.23Å; L711-C714 VanDerWaalsContact O-N 3.09Å; L711-F715 HydrophobicContact CD1-CE2 3.8Å; L711-F715 HydrophobicContact CD1-CZ 4.46Å; L711-F715 HydrophobicContact CG-CE2 4.03Å; L711-F715 VanDerWaalsContact O-CD2 3.28Å; L711-F715 WeakPolarHBondContact O-CD2 3.21Å; L711-F715 WeakPolarHBondContact O-CE2 3.25Å; L711-L723 HydrophobicContact CD2-CD2 4.1Å; L711-L791 HydrophobicContact CD1-CD1 4.09Å; L711-L791 HydrophobicContact CD2-CD1 4.3Å; L711-F792 HydrophobicContact CD2-CD2 4.34Å; L711-F792 HydrophobicContact CD2-CE2 3.56Å; L711-F792 HydrophobicContact CD2-CZ 4.49Å; L711-V811 HydrophobicContact CD2-CG2 4.08Å
712	L	92	Very high	92	Very high	1 Å²	1	34 Å²	34	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-68.1	-24.3	-178.3	-66.2	176.1	0	0	0	113.2	V610 V615 W693 L708 L709 C714 F715 V749	V610-L712 HydrophobicContact CG1-CB 4.29Å; V610-L712 HydrophobicContact CG2-CB 4.38Å; V615-L712 HydrophobicContact CG2-CD1 4.1Å; W693-L712 HydrophobicContact CB-CD1 4.14Å; W693-L712 HydrophobicContact CD2-CD1 4.36Å; W693-L712 HydrophobicContact CD2-CD2 4.05Å; W693-L712 HydrophobicContact CE3-CD2 4.22Å; W693-L712 HydrophobicContact CG-CD1 3.88Å; W693-L712 HydrophobicContact CG-CD2 4.42Å; L708-L712 HydrophobicContact CD1-CD1 4.13Å; L708-L712 HydrophobicContact CD1-CD2 4.39Å; L708-L712 HydrophobicContact CD1-CG 4.07Å; L708-L712 HydrophobicContact CG-CD1 3.99Å; L708-L712 HydrophobicContact CG-CG 4.33Å; L708-L712 WeakPolarHBondContact O-CG 3.33Å; L708-L712 PolarHBondContact O-N 2.81Å; L709-L712 PolarHBondContact O-N 3.39Å; L712-C714 PolarHBondContact O-N 2.76Å; L712-C714 VanDerWaalsContact O-N 3.08Å; L712-F715 PolarHBondContact O-N 3.22Å; L712-F715 VanDerWaalsContact O-N 3.14Å; L712-V749 HydrophobicContact CD2-CG1 3.92Å
713	E	88.9	Confident	92	Very high	48 Å²	48	34 Å²	34	22%	0.224	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-17.8	169.3	-68.9	169.7	-165.5	0	0	113.1	C605 A607 V610 L709 L711	C605-E713 HydrophobicContact CB-CB 4.14Å; C605-E713 WeakPolarHBondContact CB-O 3.5Å; A607-E713 WeakPolarHBondContact CB-O 3.49Å; V610-E713 HydrophobicContact CB-CG 4.26Å; V610-E713 HydrophobicContact CG2-CG 3.94Å; L709-E713 PolarHBondContact O-N 2.89Å; L709-E713 VanDerWaalsContact O-N 3.14Å; L711-E713 VanDerWaalsContact C-N 3.27Å; L711-E713 PolarHBondContact O-N 2.85Å
714	C	87.3	Confident	92.1	Very high	47 Å²	47	34 Å²	34	32%	0.318	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.5	179.9	-58	0	0	0	0	114.6	V602 C605 L711 L712	V602-C714 WeakPolarHBondContact CG1-SG 3.4Å; C605-C714 HydrophobicContact CB-CB 3.93Å; C605-C714 WeakPolarHBondContact CB-SG 3.38Å; C605-C714 WeakPolarHBondContact SG-CA 3.44Å; C605-C714 WeakPolarHBondContact SG-CB 3.13Å; C605-C714 CovalentContact SG-SG 2.03Å; C605-C714 PolarHBondContact SG-SG 2.84Å; L711-C714 VanDerWaalsContact O-CB 3.31Å; L711-C714 WeakPolarHBondContact O-CB 3.34Å; L711-C714 PolarHBondContact O-N 3.23Å; L711-C714 VanDerWaalsContact O-N 3.09Å; L712-C714 PolarHBondContact O-N 2.76Å; L712-C714 VanDerWaalsContact O-N 3.08Å
715	F	89.5	Confident	92.2	Very high	50 Å²	50	34 Å²	34	22%	0.219	19%	0.193	C	C	.	.	S	Bend	trans	-120	137.3	-171.5	-61	-77.5	0	0	0	111.6	W693 L711 L712 S717 I721 L723 V787	W693-F715 HydrophobicContact CH2-CB 3.84Å; W693-F715 HydrophobicContact CZ2-CB 4.12Å; L711-F715 HydrophobicContact CD1-CE2 3.8Å; L711-F715 HydrophobicContact CD1-CZ 4.46Å; L711-F715 HydrophobicContact CG-CE2 4.03Å; L711-F715 VanDerWaalsContact O-CD2 3.28Å; L711-F715 WeakPolarHBondContact O-CD2 3.21Å; L711-F715 WeakPolarHBondContact O-CE2 3.25Å; L712-F715 PolarHBondContact O-N 3.22Å; L712-F715 VanDerWaalsContact O-N 3.14Å; F715-S717 PolarHBondContact O-N 3.21Å; F715-I721 HydrophobicContact CB-CD1 4.12Å; F715-I721 HydrophobicContact CD1-CD1 4.34Å; F715-L723 HydrophobicContact CD1-CD1 4.39Å; F715-L723 HydrophobicContact CD2-CD1 3.65Å; F715-L723 HydrophobicContact CE1-CD1 4.07Å; F715-L723 HydrophobicContact CE2-CD1 3.26Å; F715-L723 HydrophobicContact CG-CD1 4.2Å; F715-L723 HydrophobicContact CZ-CD1 3.48Å; F715-L723 VanDerWaalsContact CZ-CD1 3.48Å; F715-V787 HydrophobicContact CD1-CG1 4.43Å; F715-V787 HydrophobicContact CE1-CG1 3.57Å; F715-V787 HydrophobicContact CZ-CG1 3.9Å
716	D	87.6	Confident	92.4	Very high	93 Å²	93	36.7 Å²	36.7	50%	0.497	20%	0.2	S	C	.	.			trans	-74.8	109.9	171.9	-176.9	-7.1	0	0	0	109.7	S718 M719	D716-S718 PolarHBondContact O-N 3.42Å; D716-S718 VanDerWaalsContact O-N 3.16Å; D716-S718 VanDerWaalsContact OD1-CB 3.31Å; D716-S718 WeakPolarHBondContact OD1-CB 3.26Å; D716-S718 PolarHBondContact OD1-N 3.44Å; D716-S718 PolarHBondContact OD1-OG 3.29Å; D716-S718 PolarHBondContact OD2-OG 3.3Å; D716-M719 HydrophobicContact CB-CG 4.18Å; D716-M719 WeakPolarHBondContact O-CB 3.36Å; D716-M719 PolarHBondContact O-N 3.06Å; D716-M719 VanDerWaalsContact O-N 3.16Å
717	S	86.9	Confident	92.7	Very high	51 Å²	51	35.9 Å²	35.9	36%	0.357	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-14	178.8	62.9	0	0	0	0	115.9	T692 F715 M719	T692-S717 WeakPolarHBondContact CG2-OG 3.4Å; F715-S717 PolarHBondContact O-N 3.21Å; S717-M719 VanDerWaalsContact C-N 3.29Å
718	S	88.8	Confident	92.8	Very high	82 Å²	82	35.5 Å²	35.5	57%	0.573	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-24	175.2	73.8	0	0	0	0	112.6	D716	D716-S718 PolarHBondContact O-N 3.42Å; D716-S718 VanDerWaalsContact O-N 3.16Å; D716-S718 VanDerWaalsContact OD1-CB 3.31Å; D716-S718 WeakPolarHBondContact OD1-CB 3.26Å; D716-S718 PolarHBondContact OD1-N 3.44Å; D716-S718 PolarHBondContact OD1-OG 3.29Å; D716-S718 PolarHBondContact OD2-OG 3.3Å
719	M	93.2	Very high	92.9	Very high	84 Å²	84	37.3 Å²	37.3	41%	0.414	19%	0.194	S	C	.	.	S	Bend	trans	-78.7	139.9	179.5	-67	-78.1	-70	0	0	110.9	D716 S717 I721 S751 S753	D716-M719 HydrophobicContact CB-CG 4.18Å; D716-M719 WeakPolarHBondContact O-CB 3.36Å; D716-M719 PolarHBondContact O-N 3.06Å; D716-M719 VanDerWaalsContact O-N 3.16Å; S717-M719 VanDerWaalsContact C-N 3.29Å; M719-I721 VanDerWaalsContact C-N 3.3Å; M719-I721 HydrophobicContact CB-CD1 3.84Å; M719-I721 HydrophobicContact CB-CG1 3.86Å; M719-I721 PolarHBondContact O-N 3.05Å; M719-S751 WeakPolarHBondContact O-CB 3.42Å; M719-S751 PolarHBondContact O-OG 3.39Å; M719-S751 VanDerWaalsContact O-OG 3.08Å; M719-S753 PolarHBondContact O-OG 2.87Å
720	P	96.9	Very high	93	Very high	21 Å²	21	40.4 Å²	40.4	14%	0.136	21%	0.211	C	C	.	.			trans	-72.1	84.6	175	31.1	-34.4	0	0	0	110.5	S751 S753 A754 N783 V784 D785	P720-S751 WeakPolarHBondContact CA-OG 3.42Å; P720-S753 WeakPolarHBondContact CA-OG 3.49Å; P720-A754 HydrophobicContact CB-CB 4.31Å; P720-N783 VanDerWaalsContact CG-O 3.31Å; P720-N783 WeakPolarHBondContact CG-O 3.39Å; P720-V784 HydrophobicContact CB-CG2 4.34Å; P720-V784 WeakPolarHBondContact O-CA 3.27Å; P720-V784 WeakPolarHBondContact O-CG1 3.49Å; P720-D785 PolarHBondContact O-N 2.97Å
721	I	96.8	Very high	93.1	Very high	11 Å²	11	34.9 Å²	34.9	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.4	-178.3	-64.8	168.5	0	0	0	111.1	W693 F715 M719 L723 S751 A754 V787	W693-I721 HydrophobicContact CH2-CD1 4.49Å; W693-I721 HydrophobicContact CZ3-CB 4.45Å; F715-I721 HydrophobicContact CB-CD1 4.12Å; F715-I721 HydrophobicContact CD1-CD1 4.34Å; M719-I721 VanDerWaalsContact C-N 3.3Å; M719-I721 HydrophobicContact CB-CD1 3.84Å; M719-I721 HydrophobicContact CB-CG1 3.86Å; M719-I721 PolarHBondContact O-N 3.05Å; I721-L723 HydrophobicContact CG2-CB 4.09Å; I721-S751 PolarHBondContact N-OG 3.48Å; I721-S751 PolarHBondContact O-N 2.99Å; I721-S751 PolarHBondContact O-OG 2.93Å; I721-S751 VanDerWaalsContact O-OG 3.12Å; I721-A754 WeakPolarHBondContact O-CB 3.37Å; I721-V787 HydrophobicContact CG2-CB 4.16Å; I721-V787 HydrophobicContact CG2-CG2 3.71Å
722	H	98.1	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.6	165	179.1	-152	0	0	0	109.7	F744 V749 F750 F758 V784 D785 L786 V787	H722-F744 AromaticContact CE1-CE1 3.63Å; H722-F744 AromaticContact NE2-CE1 3.56Å; H722-V749 CarbonylContact C-O 3.51Å; H722-V749 WeakPolarHBondContact CA-O 3.36Å; H722-F750 HydrophobicContact CB-CD1 4.38Å; H722-F750 AromaticContact CD2-CD1 3.64Å; H722-F750 AromaticContact CD2-CE1 3.32Å; H722-F750 WeakPolarHBondContact CD2-CE1 3.46Å; H722-F750 AromaticContact CD2-CZ 3.54Å; H722-F750 AromaticContact CE1-CE1 3.79Å; H722-F750 AromaticContact CE1-CZ 3.86Å; H722-F750 AromaticContact CG-CE1 3.73Å; H722-F750 AromaticContact NE2-CE1 3.39Å; H722-F750 WeakPolarHBondContact NE2-CE1 3.22Å; H722-F750 AromaticContact NE2-CE2 3.89Å; H722-F750 AromaticContact NE2-CZ 3.21Å; H722-F750 WeakPolarHBondContact NE2-CZ 2.95Å; H722-F758 HydrophobicContact CB-CE2 3.99Å; H722-F758 HydrophobicContact CB-CZ 4.25Å; H722-F758 AromaticContact ND1-CZ 3.93Å; H722-V784 HydrophobicContact CB-CG1 3.71Å; H722-D785 PolarHBondContact N-O 3.07Å; H722-L786 HydrophobicContact CB-CD2 3.96Å; H722-L786 WeakPolarHBondContact ND1-CD2 3.11Å; H722-L786 CarbonylContact O-C 3.58Å; H722-L786 WeakPolarHBondContact O-CA 3.45Å; H722-V787 PolarHBondContact O-N 3.27Å
723	L	97.6	Very high	92.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.1	-166.5	178.1	154.4	0	0	0	112	L711 F715 I721 S748 V749 V787 F792	L711-L723 HydrophobicContact CD2-CD2 4.1Å; F715-L723 HydrophobicContact CD1-CD1 4.39Å; F715-L723 HydrophobicContact CD2-CD1 3.65Å; F715-L723 HydrophobicContact CE1-CD1 4.07Å; F715-L723 HydrophobicContact CE2-CD1 3.26Å; F715-L723 HydrophobicContact CG-CD1 4.2Å; F715-L723 HydrophobicContact CZ-CD1 3.48Å; F715-L723 VanDerWaalsContact CZ-CD1 3.48Å; I721-L723 HydrophobicContact CG2-CB 4.09Å; L723-S748 CarbonylContact O-C 3.48Å; L723-S748 WeakPolarHBondContact O-CA 3.33Å; L723-V749 HydrophobicContact CB-CB 4.32Å; L723-V749 HydrophobicContact CD2-CB 4.37Å; L723-V749 HydrophobicContact CD2-CG2 4.13Å; L723-V749 PolarHBondContact N-O 3.11Å; L723-V749 PolarHBondContact O-N 3.42Å; L723-V787 WeakPolarHBondContact CA-O 3.08Å; L723-V787 HydrophobicContact CB-CB 4.25Å; L723-V787 HydrophobicContact CD1-CB 4.49Å; L723-V787 HydrophobicContact CD1-CG1 4.05Å; L723-V787 HydrophobicContact CG-CB 4.4Å; L723-V787 HydrophobicContact CG-CG1 4.3Å; L723-F792 HydrophobicContact CD2-CD2 4.16Å; L723-F792 HydrophobicContact CD2-CE2 3.33Å; L723-F792 HydrophobicContact CD2-CZ 3.62Å
724	G	97.7	Very high	92.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.4	-155.1	172	0	0	0	0	0	111.7	I742 V787 H788 S789	G724-I742 VanDerWaalsContact CA-CG2 3.48Å; G724-V787 PolarHBondContact N-O 3.14Å; G724-H788 CarbonylContact O-C 3.55Å; G724-H788 WeakPolarHBondContact O-CA 3.08Å; G724-S789 PolarHBondContact O-N 2.79Å
725	Q	96.9	Very high	92.8	Very high	21 Å²	21	37.3 Å²	37.3	10%	0.098	19%	0.193	C	C	.	.			trans	-77	128.1	171	-169.2	170.9	28.5	0	0	109.3	Y727 I742 T743 F792	Q725-Y727 HydrophobicContact CG-CE1 4.17Å; Q725-I742 CarbonylContact O-C 3.6Å; Q725-I742 VanDerWaalsContact O-CA 3.3Å; Q725-I742 WeakPolarHBondContact O-CA 3.42Å; Q725-T743 PolarHBondContact O-N 3.03Å; Q725-F792 HydrophobicContact CB-CB 4.04Å; Q725-F792 WeakPolarHBondContact CB-O 3.42Å
726	R	96.1	Very high	92.7	Very high	69 Å²	69	39.5 Å²	39.5	26%	0.26	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	141.9	175.5	78.3	176.6	158.1	-153.9	-7.8	109.9	W455 Y741 I742 H788	W455-R726 VanDerWaalsContact CB-CZ 3.46Å; W455-R726 VanDerWaalsContact CB-NH2 3.31Å; W455-R726 VanDerWaalsContact CG-CZ 3.45Å; W455-R726 HydrophobicContact CH2-CG 4.34Å; W455-R726 HydrophobicContact CZ2-CG 4.19Å; R726-Y741 CarbonylContact C-O 3.6Å; R726-Y741 VanDerWaalsContact CA-O 3.28Å; R726-Y741 WeakPolarHBondContact CA-O 3.46Å; R726-I742 HydrophobicContact CB-CD1 3.99Å; R726-H788 HydrophobicContact CB-CB 3.95Å; R726-H788 HydrophobicContact CG-CB 3.63Å; R726-H788 PolarHBondContact N-ND1 3.23Å
727	Y	96.4	Very high	92.9	Very high	13 Å²	13	37.3 Å²	37.3	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	162.3	158.5	-73.2	-10.3	0	0	0	109.9	I562 Q725 D740 Y741 T743 Q794 N795	I562-Y727 HydrophobicContact CB-CD1 4.46Å; I562-Y727 HydrophobicContact CB-CE1 4.32Å; I562-Y727 HydrophobicContact CD1-CE2 4.49Å; I562-Y727 HydrophobicContact CG1-CD2 4.13Å; I562-Y727 HydrophobicContact CG1-CE2 4.08Å; I562-Y727 HydrophobicContact CG1-CG 4.4Å; I562-Y727 HydrophobicContact CG2-CD1 4.33Å; I562-Y727 HydrophobicContact CG2-CE1 3.71Å; I562-Y727 HydrophobicContact CG2-CE2 4.2Å; Q725-Y727 HydrophobicContact CG-CE1 4.17Å; Y727-D740 WeakPolarHBondContact O-CA 3.03Å; Y727-Y741 VanDerWaalsContact CB-CZ 3.49Å; Y727-Y741 HydrophobicContact CD2-CE2 4.43Å; Y727-Y741 PolarHBondContact N-O 3.18Å; Y727-Y741 WeakPolarHBondContact O-CD1 3.38Å; Y727-Y741 PolarHBondContact O-N 3.16Å; Y727-T743 HydrophobicContact CD1-CG2 4.14Å; Y727-T743 HydrophobicContact CD2-CG2 3.42Å; Y727-T743 VanDerWaalsContact CD2-CG2 3.42Å; Y727-T743 HydrophobicContact CE1-CG2 4.36Å; Y727-T743 HydrophobicContact CE2-CG2 3.75Å; Y727-T743 HydrophobicContact CG-CG2 3.62Å; Y727-Q794 HydrophobicContact CE2-CB 4.31Å; Y727-Q794 HydrophobicContact CE2-CG 3.93Å; Y727-Q794 WeakPolarHBondContact OH-CB 3.36Å; Y727-N795 PolarHBondContact OH-ND2 2.84Å
728	G	95.1	Very high	93.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	148.7	176.7	0	0	0	0	0	112.1	F560 T561	F560-G728 WeakPolarHBondContact CA-O 3.26Å; T561-G728 PolarHBondContact N-O 3.06Å; T561-G728 PolarHBondContact O-N 3.41Å
729	F	95	Very high	93.4	Very high	38 Å²	38	35.2 Å²	35.2	17%	0.167	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.3	173.9	-173.2	-108.5	0	0	0	112	P559 F560 F731 G738 Y739 Y741 M773	P559-F729 HydrophobicContact CB-CD2 4.2Å; P559-F729 HydrophobicContact CB-CE2 3.79Å; P559-F729 HydrophobicContact CB-CZ 4.44Å; P559-F729 HydrophobicContact CG-CE2 4.02Å; P559-F729 CarbonylContact O-C 3.39Å; P559-F729 WeakPolarHBondContact O-CA 3.27Å; F560-F729 AromaticContact CD1-CD2 3.76Å; F560-F729 HydrophobicContact CD1-CD2 3.76Å; F560-F729 HydrophobicContact CD1-CE2 4.31Å; F560-F729 AromaticContact CE1-CD2 3.58Å; F560-F729 HydrophobicContact CE1-CD2 3.58Å; F560-F729 AromaticContact CE1-CE2 3.81Å; F560-F729 HydrophobicContact CE1-CE2 3.81Å; F560-F729 HydrophobicContact CG-CD2 4.5Å; F560-F729 HydrophobicContact CZ-CD2 4.18Å; F560-F729 AromaticContact CZ-CE2 3.93Å; F560-F729 HydrophobicContact CZ-CE2 3.93Å; F729-F731 VanDerWaalsContact C-N 3.29Å; F729-F731 PolarHBondContact O-N 2.8Å; F729-G738 CarbonylContact O-C 3.29Å; F729-G738 WeakPolarHBondContact O-CA 3.24Å; F729-Y739 HydrophobicContact CB-CE1 4.36Å; F729-Y739 HydrophobicContact CB-CE2 4.23Å; F729-Y739 HydrophobicContact CD1-CD1 4.44Å; F729-Y739 AromaticContact CD1-CE1 3.54Å; F729-Y739 HydrophobicContact CD1-CE1 3.54Å; F729-Y739 AromaticContact CD1-CZ 3.6Å; F729-Y739 WeakPolarHBondContact CD1-OH 3.07Å; F729-Y739 HydrophobicContact CE1-CE1 4.33Å; F729-Y739 HydrophobicContact CG-CE1 4.4Å; F729-Y739 PolarHBondContact N-O 3.43Å; F729-Y739 PolarHBondContact O-N 2.91Å; F729-Y741 HydrophobicContact CB-CD1 4.35Å; F729-Y741 HydrophobicContact CB-CE1 4.05Å; F729-M773 HydrophobicContact CB-CE 4.17Å; F729-M773 HydrophobicContact CD1-CE 3.92Å; F729-M773 HydrophobicContact CD2-CE 3.41Å; F729-M773 VanDerWaalsContact CD2-CE 3.41Å; F729-M773 HydrophobicContact CE1-CE 4.06Å; F729-M773 HydrophobicContact CE2-CE 3.6Å; F729-M773 HydrophobicContact CG-CE 3.56Å; F729-M773 HydrophobicContact CZ-CE 3.91Å
730	N	93.2	Very high	93.5	Very high	81 Å²	81	33 Å²	33	43%	0.433	17%	0.172	S	C	.	.	S	Bend	trans	55.7	35.3	176.9	-79.4	-25.2	0	0	0	114.9	P559 N732 S737 G738	P559-N730 VanDerWaalsContact CB-OD1 3.23Å; P559-N730 WeakPolarHBondContact CB-OD1 3.4Å; P559-N730 PolarHBondContact O-N 2.79Å; N730-N732 PolarHBondContact O-N 3.37Å; N730-S737 CarbonylContact O-C 3.54Å; N730-S737 PolarHBondContact O-OG 3.2Å; N730-G738 WeakPolarHBondContact O-CA 3.46Å; N730-G738 PolarHBondContact O-N 2.84Å
731	F	92	Very high	93.5	Very high	7 Å²	7	32.6 Å²	32.6	3%	0.031	17%	0.168	C	C	.	.			trans	-62.5	128.1	168.3	-62.5	-26.9	0	0	0	110.4	I452 W455 A456 W458 P459 T561 F729 S737 D740	I452-F731 HydrophobicContact CG2-CD1 4.24Å; I452-F731 HydrophobicContact CG2-CE1 4.15Å; W455-F731 AromaticContact CE2-CE2 3.7Å; W455-F731 AromaticContact CE2-CZ 3.94Å; W455-F731 HydrophobicContact CH2-CE2 4.4Å; W455-F731 AromaticContact CZ2-CE2 3.54Å; W455-F731 HydrophobicContact CZ2-CE2 3.54Å; W455-F731 AromaticContact CZ2-CZ 3.88Å; W455-F731 HydrophobicContact CZ2-CZ 3.88Å; W455-F731 AromaticContact NE1-CE2 3.78Å; W455-F731 AromaticContact NE1-CZ 3.63Å; A456-F731 HydrophobicContact CB-CD2 4.21Å; A456-F731 HydrophobicContact CB-CE2 4.35Å; W458-F731 HydrophobicContact CZ2-CB 4.29Å; W458-F731 HydrophobicContact CZ2-CD2 4.16Å; P459-F731 HydrophobicContact CG-CB 4.46Å; T561-F731 HydrophobicContact CG2-CD2 4.17Å; T561-F731 HydrophobicContact CG2-CE2 4.05Å; T561-F731 WeakPolarHBondContact OG1-CD2 3.47Å; F729-F731 VanDerWaalsContact C-N 3.29Å; F729-F731 PolarHBondContact O-N 2.8Å; F731-S737 WeakPolarHBondContact CA-O 3.31Å; F731-D740 WeakPolarHBondContact CZ-OD1 3.27Å
732	N	89.7	Confident	93.6	Very high	35 Å²	35	32.1 Å²	32.1	19%	0.187	17%	0.166	C	C	.	.			trans	-93.9	166.4	172.6	73.4	23.9	0	0	0	110.9	N730 H734 G735 T736 S737	N730-N732 PolarHBondContact O-N 3.37Å; N732-H734 PolarHBondContact O-N 3.17Å; N732-H734 VanDerWaalsContact O-N 3.13Å; N732-H734 WeakPolarHBondContact OD1-CA 3.32Å; N732-H734 PolarHBondContact OD1-N 3.17Å; N732-G735 PolarHBondContact O-N 3.49Å; N732-G735 PolarHBondContact OD1-N 3.33Å; N732-T736 PolarHBondContact ND2-OG1 2.89Å; N732-T736 PolarHBondContact OD1-N 3.08Å; N732-S737 WeakPolarHBondContact CB-OG 3.17Å; N732-S737 PolarHBondContact N-O 3.32Å; N732-S737 PolarHBondContact ND2-N 2.81Å; N732-S737 PolarHBondContact ND2-OG 3.15Å
733	K	85.8	Confident	93.5	Very high	53 Å²	53	32.1 Å²	32.1	23%	0.23	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.2	178.3	57.6	169.3	167.8	-171.6	0	115.3	L550 K551 W554	L550-K733 WeakPolarHBondContact O-CD 3.31Å; K551-K733 PolarHBondContact O-NZ 3.15Å; W554-K733 HydrophobicContact CE3-CB 3.96Å; W554-K733 HydrophobicContact CZ3-CB 4.04Å
734	H	86.7	Confident	93.4	Very high	74 Å²	74	32.3 Å²	32.3	34%	0.343	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-5.7	-176.4	-58.3	-59.3	0	0	0	113.2	E462 N732 T736	E462-H734 IonicContact OE2-CE1 3.5Å; E462-H734 PolarHBondContact OE2-CE1 3.13Å; E462-H734 IonicContact OE2-CG 3.73Å; E462-H734 IonicContact OE2-ND1 3.5Å; E462-H734 PolarHBondContact OE2-ND1 3.41Å; N732-H734 PolarHBondContact O-N 3.17Å; N732-H734 VanDerWaalsContact O-N 3.13Å; N732-H734 WeakPolarHBondContact OD1-CA 3.32Å; N732-H734 PolarHBondContact OD1-N 3.17Å; H734-T736 VanDerWaalsContact C-N 3.32Å; H734-T736 HydrophobicContact CB-CG2 4.05Å; H734-T736 PolarHBondContact O-N 3.42Å
735	G	88.2	Confident	93.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	65.5	28.9	-172.6	0	0	0	0	0	114.5	I452 N732	I452-G735 WeakPolarHBondContact CB-O 3.35Å; I452-G735 PolarHBondContact N-O 2.88Å; I452-G735 VanDerWaalsContact O-CA 3.31Å; I452-G735 WeakPolarHBondContact O-CA 3.42Å; N732-G735 PolarHBondContact O-N 3.49Å; N732-G735 PolarHBondContact OD1-N 3.33Å
736	T	88.5	Confident	93	Very high	96 Å²	96	31.5 Å²	31.5	59%	0.589	16%	0.164	S	C	*	.	S	Bend	trans	-108.5	-5.6	-176.7	61	0	0	0	0	114.5	N732 H734	N732-T736 PolarHBondContact ND2-OG1 2.89Å; N732-T736 PolarHBondContact OD1-N 3.08Å; H734-T736 VanDerWaalsContact C-N 3.32Å; H734-T736 HydrophobicContact CB-CG2 4.05Å; H734-T736 PolarHBondContact O-N 3.42Å
737	S	90.8	Very high	93	Very high	47 Å²	47	28.2 Å²	28.2	33%	0.329	15%	0.151	S	C	.	.	S	Bend	trans	-147.1	162.4	178.2	72	0	0	0	0	111.6	N730 F731 N732	N730-S737 CarbonylContact O-C 3.54Å; N730-S737 PolarHBondContact O-OG 3.2Å; F731-S737 WeakPolarHBondContact CA-O 3.31Å; N732-S737 WeakPolarHBondContact CB-OG 3.17Å; N732-S737 PolarHBondContact N-O 3.32Å; N732-S737 PolarHBondContact ND2-N 2.81Å; N732-S737 PolarHBondContact ND2-OG 3.15Å
738	G	91.9	Very high	93.1	Very high	24 Å²	24	27.6 Å²	27.6	25%	0.247	15%	0.149	C	C	.	.			trans	109.2	178.2	-177	0	0	0	0	0	110.7	F729 N730	F729-G738 CarbonylContact O-C 3.29Å; F729-G738 WeakPolarHBondContact O-CA 3.24Å; N730-G738 WeakPolarHBondContact O-CA 3.46Å; N730-G738 PolarHBondContact O-N 2.84Å
739	Y	94.2	Very high	93.3	Very high	65 Å²	65	27.6 Å²	27.6	26%	0.255	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	157.8	176.6	59.8	-91.7	0	0	0	110.7	F729 Y741 M773	F729-Y739 HydrophobicContact CB-CE1 4.36Å; F729-Y739 HydrophobicContact CB-CE2 4.23Å; F729-Y739 HydrophobicContact CD1-CD1 4.44Å; F729-Y739 AromaticContact CD1-CE1 3.54Å; F729-Y739 HydrophobicContact CD1-CE1 3.54Å; F729-Y739 AromaticContact CD1-CZ 3.6Å; F729-Y739 WeakPolarHBondContact CD1-OH 3.07Å; F729-Y739 HydrophobicContact CE1-CE1 4.33Å; F729-Y739 HydrophobicContact CG-CE1 4.4Å; F729-Y739 PolarHBondContact N-O 3.43Å; F729-Y739 PolarHBondContact O-N 2.91Å; Y739-Y741 HydrophobicContact CE2-CD1 4.3Å; Y739-M773 WeakPolarHBondContact CE2-O 3.3Å
740	D	95.5	Very high	93.4	Very high	39 Å²	39	25.8 Å²	25.8	21%	0.209	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	151.2	173	-61.6	-8.6	0	0	0	109.4	W455 Y727 F731 G776 L786	W455-D740 PolarHBondContact NE1-OD1 3.48Å; W455-D740 PolarHBondContact NE1-OD2 3.03Å; Y727-D740 WeakPolarHBondContact O-CA 3.03Å; F731-D740 WeakPolarHBondContact CZ-OD1 3.27Å; D740-G776 CarbonylContact O-C 3.54Å; D740-G776 WeakPolarHBondContact O-CA 3.38Å; D740-L786 HydrophobicContact CB-CD1 4.05Å; D740-L786 WeakPolarHBondContact O-CD1 3.37Å
741	Y	97.2	Very high	93.6	Very high	12 Å²	12	21.9 Å²	21.9	5%	0.047	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.6	167.9	64.3	-81.5	0	0	0	110.4	R726 Y727 F729 Y739 T743 D772 M773	R726-Y741 CarbonylContact C-O 3.6Å; R726-Y741 VanDerWaalsContact CA-O 3.28Å; R726-Y741 WeakPolarHBondContact CA-O 3.46Å; Y727-Y741 VanDerWaalsContact CB-CZ 3.49Å; Y727-Y741 HydrophobicContact CD2-CE2 4.43Å; Y727-Y741 PolarHBondContact N-O 3.18Å; Y727-Y741 WeakPolarHBondContact O-CD1 3.38Å; Y727-Y741 PolarHBondContact O-N 3.16Å; F729-Y741 HydrophobicContact CB-CD1 4.35Å; F729-Y741 HydrophobicContact CB-CE1 4.05Å; Y739-Y741 HydrophobicContact CE2-CD1 4.3Å; Y741-T743 HydrophobicContact CE2-CG2 4.12Å; Y741-D772 HydrophobicContact CD2-CB 4.1Å; Y741-M773 HydrophobicContact CD1-CG 4.31Å; Y741-M773 HydrophobicContact CD2-CG 3.92Å; Y741-M773 HydrophobicContact CE1-CG 4.17Å; Y741-M773 HydrophobicContact CE2-CG 3.74Å; Y741-M773 HydrophobicContact CG-CG 4.2Å
742	I	98.1	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.7	174.4	-60.4	-58.1	0	0	0	108.1	G724 Q725 R726 D772 L786 V787	G724-I742 VanDerWaalsContact CA-CG2 3.48Å; Q725-I742 CarbonylContact O-C 3.6Å; Q725-I742 VanDerWaalsContact O-CA 3.3Å; Q725-I742 WeakPolarHBondContact O-CA 3.42Å; R726-I742 HydrophobicContact CB-CD1 3.99Å; I742-D772 VanDerWaalsContact O-CB 3.25Å; I742-D772 WeakPolarHBondContact O-CB 3.25Å; I742-L786 HydrophobicContact CD1-CB 4.43Å; I742-L786 HydrophobicContact CG1-CB 4.34Å; I742-L786 HydrophobicContact CG1-CD2 4.21Å; I742-V787 WeakPolarHBondContact CD1-O 3.39Å
743	T	96.2	Very high	94	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	14%	0.14	C	C	.	.			trans	-71.2	138.3	-178.7	72.3	0	0	0	0	110.3	Q725 Y727 Y741 Q794	Q725-T743 PolarHBondContact O-N 3.03Å; Y727-T743 HydrophobicContact CD1-CG2 4.14Å; Y727-T743 HydrophobicContact CD2-CG2 3.42Å; Y727-T743 VanDerWaalsContact CD2-CG2 3.42Å; Y727-T743 HydrophobicContact CE1-CG2 4.36Å; Y727-T743 HydrophobicContact CE2-CG2 3.75Å; Y727-T743 HydrophobicContact CG-CG2 3.62Å; Y741-T743 HydrophobicContact CE2-CG2 4.12Å; T743-Q794 HydrophobicContact CG2-CB 4.4Å; T743-Q794 HydrophobicContact CG2-CG 4.16Å; T743-Q794 PolarHBondContact OG1-OE1 3.19Å
744	F	95.2	Very high	94.5	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.013	13%	0.129	C	C	.	.	S	Bend	trans	-89.7	-30.6	-176.6	-76.7	-2	0	0	0	114.5	T674 H722 G746 G747 S748 F750 D771 D772 L775	T674-F744 HydrophobicContact CG2-CD2 4.47Å; T674-F744 HydrophobicContact CG2-CE2 3.48Å; T674-F744 VanDerWaalsContact CG2-CE2 3.48Å; T674-F744 HydrophobicContact CG2-CZ 3.98Å; H722-F744 AromaticContact CE1-CE1 3.63Å; H722-F744 AromaticContact NE2-CE1 3.56Å; F744-G746 VanDerWaalsContact C-N 3.28Å; F744-G746 PolarHBondContact O-N 2.82Å; F744-G747 WeakPolarHBondContact O-CA 3.01Å; F744-G747 PolarHBondContact O-N 3.31Å; F744-S748 WeakPolarHBondContact CD1-OG 3.37Å; F744-F750 AromaticContact CE1-CZ 3.91Å; F744-F750 HydrophobicContact CE1-CZ 3.91Å; F744-F750 AromaticContact CZ-CZ 3.98Å; F744-F750 HydrophobicContact CZ-CZ 3.98Å; F744-D771 HydrophobicContact CD2-CB 4.35Å; F744-D771 VanDerWaalsContact CD2-CG 3.42Å; F744-D771 WeakPolarHBondContact CD2-OD2 3.39Å; F744-D771 HydrophobicContact CE2-CB 3.97Å; F744-D771 WeakPolarHBondContact CE2-OD2 3.37Å; F744-D772 HydrophobicContact CB-CB 4.29Å; F744-D772 HydrophobicContact CD1-CB 3.93Å; F744-D772 HydrophobicContact CD2-CB 4.14Å; F744-D772 HydrophobicContact CE1-CB 4.32Å; F744-D772 HydrophobicContact CE2-CB 4.47Å; F744-D772 HydrophobicContact CG-CB 3.85Å; F744-L775 HydrophobicContact CZ-CD1 4.24Å; F744-L775 HydrophobicContact CZ-CD2 4.07Å; F744-L775 HydrophobicContact CZ-CG 4.5Å
745	G	92.7	Very high	95	Very high	4 Å²	4	18.2 Å²	18.2	4%	0.041	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-41.9	179.6	0	0	0	0	0	111.6	T701 G747 Q794 H814	T701-G745 WeakPolarHBondContact CG2-O 3.21Å; T701-G745 PolarHBondContact OG1-O 3.48Å; G745-G747 PolarHBondContact O-N 3.06Å; G745-G747 VanDerWaalsContact O-N 3.1Å; G745-Q794 VanDerWaalsContact N-OE1 3.13Å; G745-H814 VanDerWaalsContact C-CB 3.42Å; G745-H814 VanDerWaalsContact C-CD2 3.43Å; G745-H814 VanDerWaalsContact CA-CD2 3.44Å; G745-H814 WeakPolarHBondContact CA-CD2 3.34Å; G745-H814 WeakPolarHBondContact O-CB 2.94Å; G745-H814 PolarHBondContact O-CD2 3.01Å; G745-H814 VanDerWaalsContact O-CG 3.24Å
746	G	94.3	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.1	173.5	0	0	0	0	0	114.3	F744 F792 H793 S812	F744-G746 VanDerWaalsContact C-N 3.28Å; F744-G746 PolarHBondContact O-N 2.82Å; G746-F792 WeakPolarHBondContact O-CD1 3.5Å; G746-H793 VanDerWaalsContact CA-O 3.25Å; G746-H793 WeakPolarHBondContact CA-O 3.49Å; G746-S812 WeakPolarHBondContact O-CB 3.45Å; G746-S812 PolarHBondContact O-OG 3.39Å
747	G	96.9	Very high	95.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.106	C	C	.	.			trans	86.9	141.5	-171.1	0	0	0	0	0	111.9	F744 G745 F792	F744-G747 WeakPolarHBondContact O-CA 3.01Å; F744-G747 PolarHBondContact O-N 3.31Å; G745-G747 PolarHBondContact O-N 3.06Å; G745-G747 VanDerWaalsContact O-N 3.1Å; G747-F792 WeakPolarHBondContact O-CD1 3.21Å; G747-F792 WeakPolarHBondContact O-CE1 3.29Å
748	S	97.8	Very high	96.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154.1	-179.9	60.4	0	0	0	0	110.9	V695 L696 L723 F744 F750	V695-S748 CarbonylContact C-O 3.59Å; V695-S748 WeakPolarHBondContact CA-O 3.41Å; L696-S748 PolarHBondContact N-O 3.46Å; L696-S748 PolarHBondContact O-N 3.26Å; L696-S748 PolarHBondContact O-OG 2.85Å; L723-S748 CarbonylContact O-C 3.48Å; L723-S748 WeakPolarHBondContact O-CA 3.33Å; F744-S748 WeakPolarHBondContact CD1-OG 3.37Å; S748-F750 WeakPolarHBondContact OG-CE2 3.32Å
749	V	98.4	Very high	96.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.5	-178.7	-169.1	0	0	0	0	110.2	W693 L694 V695 L708 L712 H722 L723 F792	W693-V749 HydrophobicContact CB-CG1 4.15Å; W693-V749 HydrophobicContact CD2-CG1 4.49Å; W693-V749 HydrophobicContact CE3-CG1 3.95Å; L694-V749 CarbonylContact O-C 3.46Å; L694-V749 WeakPolarHBondContact O-CA 3.47Å; V695-V749 HydrophobicContact CG1-CG2 4.44Å; V695-V749 HydrophobicContact CG2-CG1 4.3Å; V695-V749 HydrophobicContact CG2-CG2 4.32Å; L708-V749 HydrophobicContact CD1-CG2 3.88Å; L712-V749 HydrophobicContact CD2-CG1 3.92Å; H722-V749 CarbonylContact C-O 3.51Å; H722-V749 WeakPolarHBondContact CA-O 3.36Å; L723-V749 HydrophobicContact CB-CB 4.32Å; L723-V749 HydrophobicContact CD2-CB 4.37Å; L723-V749 HydrophobicContact CD2-CG2 4.13Å; L723-V749 PolarHBondContact N-O 3.11Å; L723-V749 PolarHBondContact O-N 3.42Å; V749-F792 HydrophobicContact CG2-CE1 4.22Å; V749-F792 HydrophobicContact CG2-CZ 3.81Å
750	F	98.2	Very high	96.4	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	130.3	177.5	-57	-97.1	0	0	0	109.4	L678 W693 L694 L696 H722 F744 S748 I755 F758 L775	L678-F750 HydrophobicContact CD1-CE1 4.45Å; L678-F750 HydrophobicContact CD2-CD1 4.35Å; L678-F750 HydrophobicContact CD2-CD2 4.28Å; L678-F750 HydrophobicContact CD2-CE1 4.36Å; L678-F750 HydrophobicContact CD2-CE2 4.3Å; L678-F750 HydrophobicContact CD2-CG 4.31Å; L678-F750 HydrophobicContact CD2-CZ 4.34Å; W693-F750 CarbonylContact C-O 3.55Å; W693-F750 WeakPolarHBondContact CA-O 3.25Å; L694-F750 HydrophobicContact CB-CB 4.36Å; L694-F750 HydrophobicContact CD2-CD2 4.49Å; L694-F750 PolarHBondContact N-O 3.31Å; L694-F750 PolarHBondContact O-N 3.23Å; L696-F750 HydrophobicContact CB-CD2 4.45Å; L696-F750 HydrophobicContact CB-CE2 3.95Å; L696-F750 HydrophobicContact CD2-CE2 4.15Å; H722-F750 HydrophobicContact CB-CD1 4.38Å; H722-F750 AromaticContact CD2-CD1 3.64Å; H722-F750 AromaticContact CD2-CE1 3.32Å; H722-F750 WeakPolarHBondContact CD2-CE1 3.46Å; H722-F750 AromaticContact CD2-CZ 3.54Å; H722-F750 AromaticContact CE1-CE1 3.79Å; H722-F750 AromaticContact CE1-CZ 3.86Å; H722-F750 AromaticContact CG-CE1 3.73Å; H722-F750 AromaticContact NE2-CE1 3.39Å; H722-F750 WeakPolarHBondContact NE2-CE1 3.22Å; H722-F750 AromaticContact NE2-CE2 3.89Å; H722-F750 AromaticContact NE2-CZ 3.21Å; H722-F750 WeakPolarHBondContact NE2-CZ 2.95Å; F744-F750 AromaticContact CE1-CZ 3.91Å; F744-F750 HydrophobicContact CE1-CZ 3.91Å; F744-F750 AromaticContact CZ-CZ 3.98Å; F744-F750 HydrophobicContact CZ-CZ 3.98Å; S748-F750 WeakPolarHBondContact OG-CE2 3.32Å; F750-I755 HydrophobicContact CB-CD1 4.33Å; F750-I755 HydrophobicContact CB-CG1 3.76Å; F750-I755 HydrophobicContact CG-CG1 4.46Å; F750-F758 AromaticContact CD1-CD2 3.99Å; F750-F758 HydrophobicContact CD1-CD2 3.99Å; F750-F758 AromaticContact CD1-CE2 3.87Å; F750-F758 HydrophobicContact CD1-CE2 3.87Å; F750-F758 AromaticContact CE1-CD2 3.99Å; F750-F758 HydrophobicContact CE1-CD2 3.99Å; F750-F758 AromaticContact CE1-CE2 3.76Å; F750-F758 HydrophobicContact CE1-CE2 3.76Å; F750-L775 HydrophobicContact CE1-CD2 3.87Å; F750-L775 HydrophobicContact CZ-CD2 4.22Å
751	S	96.7	Very high	96.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	150.9	159.2	58.7	0	0	0	0	110.1	M719 P720 I721 S753 A754 I755	M719-S751 WeakPolarHBondContact O-CB 3.42Å; M719-S751 PolarHBondContact O-OG 3.39Å; M719-S751 VanDerWaalsContact O-OG 3.08Å; P720-S751 WeakPolarHBondContact CA-OG 3.42Å; I721-S751 PolarHBondContact N-OG 3.48Å; I721-S751 PolarHBondContact O-N 2.99Å; I721-S751 PolarHBondContact O-OG 2.93Å; I721-S751 VanDerWaalsContact O-OG 3.12Å; S751-S753 PolarHBondContact O-N 3.26Å; S751-S753 PolarHBondContact OG-OG 3.13Å; S751-A754 PolarHBondContact O-N 3.42Å; S751-A754 VanDerWaalsContact O-N 3.1Å; S751-A754 WeakPolarHBondContact OG-CB 3.27Å; S751-A754 PolarHBondContact OG-N 3.26Å; S751-I755 PolarHBondContact O-N 3.06Å
752	S	95.3	Very high	96.4	Very high	50 Å²	50	16 Å²	16	35%	0.35	11%	0.111	S	C	.	.	H	α-helix	trans	-55.4	-36.3	176.8	-166.5	0	0	0	0	112.7	F691 T692	F691-S752 WeakPolarHBondContact O-CB 3.23Å; F691-S752 PolarHBondContact O-OG 3.18Å; T692-S752 PolarHBondContact O-N 3.25Å
753	S	94.5	Very high	96.2	Very high	41 Å²	41	24.5 Å²	24.5	29%	0.287	15%	0.148	S	C	.	.	H	α-helix	trans	-69.3	-39.1	176.5	54.3	0	0	0	0	113	M719 P720 S751 I755 G756 N757	M719-S753 PolarHBondContact O-OG 2.87Å; P720-S753 WeakPolarHBondContact CA-OG 3.49Å; S751-S753 PolarHBondContact O-N 3.26Å; S751-S753 PolarHBondContact OG-OG 3.13Å; S753-I755 VanDerWaalsContact C-N 3.28Å; S753-I755 PolarHBondContact O-N 3.13Å; S753-G756 PolarHBondContact O-N 2.91Å; S753-N757 PolarHBondContact O-N 3.45Å
754	A	97.6	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-35.6	176.4	0	0	0	0	0	112.7	P720 I721 S751 N757 F758 V784	P720-A754 HydrophobicContact CB-CB 4.31Å; I721-A754 WeakPolarHBondContact O-CB 3.37Å; S751-A754 PolarHBondContact O-N 3.42Å; S751-A754 VanDerWaalsContact O-N 3.1Å; S751-A754 WeakPolarHBondContact OG-CB 3.27Å; S751-A754 PolarHBondContact OG-N 3.26Å; A754-N757 WeakPolarHBondContact O-CB 3.48Å; A754-N757 PolarHBondContact O-N 3.14Å; A754-F758 HydrophobicContact CB-CD2 4.49Å; A754-F758 HydrophobicContact CB-CE2 4.45Å; A754-F758 VanDerWaalsContact O-CD2 3.23Å; A754-F758 WeakPolarHBondContact O-CD2 3.47Å; A754-F758 PolarHBondContact O-N 3.29Å; A754-V784 HydrophobicContact CB-CG1 3.91Å; A754-V784 HydrophobicContact CB-CG2 4.12Å
755	I	97.4	Very high	95.9	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-59.3	-51	178.3	-60.7	171.1	0	0	0	110.7	L678 F681 E682 F691 L694 F750 S751 S753 N757 F758 V759	L678-I755 HydrophobicContact CB-CG2 4.13Å; L678-I755 HydrophobicContact CD2-CG1 4.25Å; L678-I755 HydrophobicContact CD2-CG2 4.35Å; L678-I755 WeakPolarHBondContact O-CG2 3.48Å; F681-I755 HydrophobicContact CB-CD1 4.33Å; E682-I755 HydrophobicContact CB-CG2 4Å; F691-I755 HydrophobicContact CE2-CD1 3.73Å; F691-I755 HydrophobicContact CZ-CD1 3.74Å; L694-I755 HydrophobicContact CB-CD1 3.74Å; L694-I755 HydrophobicContact CD2-CD1 3.66Å; L694-I755 HydrophobicContact CD2-CG1 4.33Å; L694-I755 HydrophobicContact CG-CD1 4.36Å; F750-I755 HydrophobicContact CB-CD1 4.33Å; F750-I755 HydrophobicContact CB-CG1 3.76Å; F750-I755 HydrophobicContact CG-CG1 4.46Å; S751-I755 PolarHBondContact O-N 3.06Å; S753-I755 VanDerWaalsContact C-N 3.28Å; S753-I755 PolarHBondContact O-N 3.13Å; I755-N757 VanDerWaalsContact C-N 3.3Å; I755-N757 PolarHBondContact O-N 3.44Å; I755-F758 PolarHBondContact O-N 3.49Å; I755-V759 HydrophobicContact CG2-CG2 4.32Å; I755-V759 WeakPolarHBondContact O-CB 3.48Å; I755-V759 VanDerWaalsContact O-CG2 3.28Å; I755-V759 WeakPolarHBondContact O-CG2 3.4Å; I755-V759 PolarHBondContact O-N 2.73Å
756	G	95	Very high	95.7	Very high	15 Å²	15	36.1 Å²	36.1	16%	0.155	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-37.8	179	0	0	0	0	0	112.7	S753 S760	S753-G756 PolarHBondContact O-N 2.91Å; G756-S760 VanDerWaalsContact O-CB 3.27Å; G756-S760 WeakPolarHBondContact O-CB 3.48Å; G756-S760 PolarHBondContact O-N 3.3Å; G756-S760 PolarHBondContact O-OG 3.12Å
757	N	97.3	Very high	95.5	Very high	51 Å²	51	41 Å²	41	27%	0.273	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-47.9	175.4	-78.8	14	0	0	0	112.2	S753 A754 I755 S760 A761 A782 N783 V784	S753-N757 PolarHBondContact O-N 3.45Å; A754-N757 WeakPolarHBondContact O-CB 3.48Å; A754-N757 PolarHBondContact O-N 3.14Å; I755-N757 VanDerWaalsContact C-N 3.3Å; I755-N757 PolarHBondContact O-N 3.44Å; N757-S760 PolarHBondContact O-OG 2.69Å; N757-S760 VanDerWaalsContact O-OG 3.06Å; N757-A761 VanDerWaalsContact O-CB 3.3Å; N757-A761 WeakPolarHBondContact O-CB 3.46Å; N757-A761 PolarHBondContact O-N 3.16Å; N757-A782 HydrophobicContact CB-CB 4.48Å; N757-A782 VanDerWaalsContact CB-O 3.28Å; N757-A782 WeakPolarHBondContact CB-O 3.36Å; N757-A782 PolarHBondContact ND2-O 3.12Å; N757-N783 PolarHBondContact ND2-O 3.23Å; N757-V784 HydrophobicContact CB-CG2 3.71Å
758	F	97.9	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.1	-47.3	176.7	-78.3	-56.6	0	0	0	112.3	L678 H722 F750 A754 I755 S760 A761 C762 L775 A779 A782 V784	L678-F758 HydrophobicContact CD1-CB 4.4Å; H722-F758 HydrophobicContact CB-CE2 3.99Å; H722-F758 HydrophobicContact CB-CZ 4.25Å; H722-F758 AromaticContact ND1-CZ 3.93Å; F750-F758 AromaticContact CD1-CD2 3.99Å; F750-F758 HydrophobicContact CD1-CD2 3.99Å; F750-F758 AromaticContact CD1-CE2 3.87Å; F750-F758 HydrophobicContact CD1-CE2 3.87Å; F750-F758 AromaticContact CE1-CD2 3.99Å; F750-F758 HydrophobicContact CE1-CD2 3.99Å; F750-F758 AromaticContact CE1-CE2 3.76Å; F750-F758 HydrophobicContact CE1-CE2 3.76Å; A754-F758 HydrophobicContact CB-CD2 4.49Å; A754-F758 HydrophobicContact CB-CE2 4.45Å; A754-F758 VanDerWaalsContact O-CD2 3.23Å; A754-F758 WeakPolarHBondContact O-CD2 3.47Å; A754-F758 PolarHBondContact O-N 3.29Å; I755-F758 PolarHBondContact O-N 3.49Å; F758-S760 VanDerWaalsContact C-N 3.27Å; F758-S760 PolarHBondContact O-N 2.81Å; F758-A761 PolarHBondContact O-N 3.38Å; F758-C762 WeakPolarHBondContact O-CB 3.35Å; F758-C762 PolarHBondContact O-N 3.23Å; F758-L775 HydrophobicContact CD1-CD2 4.06Å; F758-L775 HydrophobicContact CD1-CG 4.27Å; F758-L775 HydrophobicContact CD2-CD2 4.04Å; F758-L775 HydrophobicContact CE1-CB 4.25Å; F758-L775 HydrophobicContact CE1-CD2 4.18Å; F758-L775 HydrophobicContact CE1-CG 4.33Å; F758-L775 HydrophobicContact CE2-CD2 4.13Å; F758-L775 HydrophobicContact CG-CD2 4Å; F758-L775 HydrophobicContact CZ-CD2 4.21Å; F758-A779 HydrophobicContact CE1-CB 4.16Å; F758-A779 HydrophobicContact CZ-CB 4.34Å; F758-A782 HydrophobicContact CD1-CB 3.81Å; F758-A782 HydrophobicContact CE1-CB 4.13Å; F758-V784 HydrophobicContact CD1-CG2 4.41Å; F758-V784 HydrophobicContact CD2-CG2 4.13Å; F758-V784 HydrophobicContact CE1-CB 4.22Å; F758-V784 HydrophobicContact CE1-CG2 4.19Å; F758-V784 HydrophobicContact CE2-CB 4.06Å; F758-V784 HydrophobicContact CE2-CG1 3.6Å; F758-V784 HydrophobicContact CE2-CG2 3.92Å; F758-V784 HydrophobicContact CG-CG2 4.38Å; F758-V784 HydrophobicContact CZ-CB 3.75Å; F758-V784 HydrophobicContact CZ-CG1 3.57Å; F758-V784 HydrophobicContact CZ-CG2 3.93Å
759	V	96.9	Very high	94.9	Very high	31 Å²	31	45.6 Å²	45.6	19%	0.188	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-36.1	-178.3	173.7	0	0	0	0	111.7	L678 E682 I755	L678-V759 HydrophobicContact CB-CG2 3.79Å; E682-V759 WeakPolarHBondContact OE2-CG1 3.48Å; I755-V759 HydrophobicContact CG2-CG2 4.32Å; I755-V759 WeakPolarHBondContact O-CB 3.48Å; I755-V759 VanDerWaalsContact O-CG2 3.28Å; I755-V759 WeakPolarHBondContact O-CG2 3.4Å; I755-V759 PolarHBondContact O-N 2.73Å
760	S	95.8	Very high	94.7	Very high	91 Å²	91	49 Å²	49	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-77.8	-37.1	180	62.2	0	0	0	0	113.8	G756 N757 F758	G756-S760 VanDerWaalsContact O-CB 3.27Å; G756-S760 WeakPolarHBondContact O-CB 3.48Å; G756-S760 PolarHBondContact O-N 3.3Å; G756-S760 PolarHBondContact O-OG 3.12Å; N757-S760 PolarHBondContact O-OG 2.69Å; N757-S760 VanDerWaalsContact O-OG 3.06Å; F758-S760 VanDerWaalsContact C-N 3.27Å; F758-S760 PolarHBondContact O-N 2.81Å
761	A	95.3	Very high	94.5	Very high	41 Å²	41	49.4 Å²	49.4	34%	0.339	29%	0.287	S	S	.	.	H	α-helix	trans	-94.7	-30	-173.3	0	0	0	0	0	114.2	N757 F758 V781 A782	N757-A761 VanDerWaalsContact O-CB 3.3Å; N757-A761 WeakPolarHBondContact O-CB 3.46Å; N757-A761 PolarHBondContact O-N 3.16Å; F758-A761 PolarHBondContact O-N 3.38Å; A761-V781 HydrophobicContact CB-CG1 4.47Å; A761-A782 HydrophobicContact CB-CB 3.94Å
762	C	96.2	Very high	94.4	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.041	29%	0.294	C	S	.	.			trans	-105.8	137	-167	-53.2	0	0	0	0	112.8	M675 F758 F774 C778	M675-C762 HydrophobicContact CE-CB 4.24Å; F758-C762 WeakPolarHBondContact O-CB 3.35Å; F758-C762 PolarHBondContact O-N 3.23Å; C762-F774 HydrophobicContact CB-CE1 3.94Å; C762-F774 HydrophobicContact CB-CZ 3.93Å; C762-C778 WeakPolarHBondContact CA-SG 3.29Å; C762-C778 HydrophobicContact CB-CB 3.94Å; C762-C778 WeakPolarHBondContact CB-SG 3.48Å; C762-C778 WeakPolarHBondContact SG-CB 3.4Å; C762-C778 CovalentContact SG-SG 2.02Å; C762-C778 PolarHBondContact SG-SG 2.99Å
763	K	94.3	Very high	94.4	Very high	179 Å²	179	49.6 Å²	49.6	78%	0.778	28%	0.284	S	S	*	.			trans	-133.4	125.1	173.4	-66.5	-179.3	-178.6	175.4	0	111.1	F774	K763-F774 WeakPolarHBondContact O-CE2 3.3Å; K763-F774 WeakPolarHBondContact O-CZ 3.39Å
764	C	93.5	Very high	94.5	Very high	34 Å²	34	48.9 Å²	48.9	23%	0.23	28%	0.276	C	S	.	.			trans	-55.1	129.9	178.4	-67.7	0	0	0	0	111.5	C671 M675 K766	C671-C764 HydrophobicContact CB-CB 3.93Å; C671-C764 WeakPolarHBondContact CB-SG 3.37Å; C671-C764 PolarHBondContact O-SG 3.17Å; C671-C764 VanDerWaalsContact SG-CA 3.54Å; C671-C764 WeakPolarHBondContact SG-CB 3.36Å; C671-C764 CovalentContact SG-SG 2.04Å; C671-C764 PolarHBondContact SG-SG 3.45Å; M675-C764 WeakPolarHBondContact CG-SG 3.44Å; C764-K766 VanDerWaalsContact C-N 3.3Å
765	P	91.1	Very high	94.4	Very high	95 Å²	95	48.9 Å²	48.9	62%	0.617	28%	0.276	S	S	*	.	S	Bend	trans	-63.5	-38	172.4	-22.4	33.8	0	0	0	112.1	F774	P765-F774 HydrophobicContact CG-CD2 3.99Å; P765-F774 HydrophobicContact CG-CE2 4.08Å
766	K	90.1	Very high	94.3	Very high	123 Å²	123	49 Å²	49	54%	0.535	28%	0.277	S	S	.	.	S	Bend	trans	-147.7	159.6	172.5	-57.9	177.5	-172.6	162.6	0	109.6	C764 D768 S769	C764-K766 VanDerWaalsContact C-N 3.3Å; K766-D768 WeakPolarHBondContact CB-OD1 3.35Å; K766-D768 WeakPolarHBondContact CD-OD1 3.2Å; K766-D768 PolarHBondContact O-N 2.02Å; K766-S769 PolarHBondContact N-OG 3.23Å; K766-S769 WeakPolarHBondContact O-CB 3.31Å; K766-S769 PolarHBondContact O-N 3.2Å; K766-S769 PolarHBondContact O-OG 3.44Å
767	D	90.2	Very high	94.4	Very high	102 Å²	102	50.6 Å²	50.6	55%	0.545	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.8	179.6	-62.1	-8.7	0	0	0	112.8	C671 A672	C671-D767 PolarHBondContact N-O 3.25Å; A672-D767 HydrophobicContact CB-CB 3.74Å; A672-D767 PolarHBondContact N-O 3.08Å
768	D	90.8	Very high	94.3	Very high	82 Å²	82	48.7 Å²	48.7	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	15.5	-178.5	66.7	-17.2	0	0	0	113.7	T666 A668 G669 K766	T666-D768 HydrophobicContact CG2-CB 3.9Å; A668-D768 WeakPolarHBondContact O-CB 3.45Å; G669-D768 WeakPolarHBondContact CA-O 3.48Å; K766-D768 WeakPolarHBondContact CB-OD1 3.35Å; K766-D768 WeakPolarHBondContact CD-OD1 3.2Å; K766-D768 PolarHBondContact O-N 2.02Å
769	S	91.4	Very high	94.3	Very high	16 Å²	16	48.9 Å²	48.9	11%	0.112	28%	0.278	C	S	.	.	S	Bend	trans	-68.1	145.8	175.8	-58.1	0	0	0	0	110.7	G669 H670 C671 K766 D771	G669-S769 CarbonylContact C-O 3.59Å; G669-S769 WeakPolarHBondContact CA-O 3.48Å; H670-S769 PolarHBondContact N-O 3.16Å; C671-S769 WeakPolarHBondContact CB-O 3.46Å; C671-S769 PolarHBondContact N-O 3.05Å; K766-S769 PolarHBondContact N-OG 3.23Å; K766-S769 WeakPolarHBondContact O-CB 3.31Å; K766-S769 PolarHBondContact O-N 3.2Å; K766-S769 PolarHBondContact O-OG 3.44Å; S769-D771 PolarHBondContact O-N 3.04Å; S769-D771 VanDerWaalsContact O-N 3.15Å
770	P	92.3	Very high	94	Very high	70 Å²	70	52.2 Å²	52.2	46%	0.455	30%	0.303	S	S	.	.			trans	-59.4	117.2	168.7	-20	31.8	0	0	0	108.8	M773 F774	P770-M773 HydrophobicContact CB-CB 4.24Å; P770-M773 HydrophobicContact CB-CG 4.3Å; P770-M773 HydrophobicContact CB-SD 4.22Å; P770-F774 WeakPolarHBondContact O-CB 3.48Å; P770-F774 PolarHBondContact O-N 2.93Å
771	D	94.4	Very high	93.9	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.048	30%	0.303	C	S	.	.	H	α-helix	trans	-86	-39.6	-161.8	55.7	-33.3	0	0	0	112.9	R620 C671 T674 F744 S769 F774 L775	R620-D771 IonicContact CZ-OD2 2.8Å; R620-D771 IonicContact NH1-OD2 2.95Å; R620-D771 PolarHBondContact NH1-OD2 3.23Å; R620-D771 IonicContact NH2-OD2 3.18Å; C671-D771 VanDerWaalsContact CA-CB 3.49Å; C671-D771 HydrophobicContact CB-CB 4.07Å; T674-D771 PolarHBondContact OG1-OD2 3.38Å; F744-D771 HydrophobicContact CD2-CB 4.35Å; F744-D771 VanDerWaalsContact CD2-CG 3.42Å; F744-D771 WeakPolarHBondContact CD2-OD2 3.39Å; F744-D771 HydrophobicContact CE2-CB 3.97Å; F744-D771 WeakPolarHBondContact CE2-OD2 3.37Å; S769-D771 PolarHBondContact O-N 3.04Å; S769-D771 VanDerWaalsContact O-N 3.15Å; D771-F774 PolarHBondContact O-N 2.72Å; D771-L775 WeakPolarHBondContact O-CB 3.43Å; D771-L775 WeakPolarHBondContact O-CD1 3.33Å; D771-L775 PolarHBondContact O-N 3.12Å
772	D	96	Very high	93.9	Very high	26 Å²	26	51.2 Å²	51.2	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-55.2	-53.1	168.4	53.8	-1.8	0	0	0	112	Y741 I742 F744 F774 L775 G776	Y741-D772 HydrophobicContact CD2-CB 4.1Å; I742-D772 VanDerWaalsContact O-CB 3.25Å; I742-D772 WeakPolarHBondContact O-CB 3.25Å; F744-D772 HydrophobicContact CB-CB 4.29Å; F744-D772 HydrophobicContact CD1-CB 3.93Å; F744-D772 HydrophobicContact CD2-CB 4.14Å; F744-D772 HydrophobicContact CE1-CB 4.32Å; F744-D772 HydrophobicContact CE2-CB 4.47Å; F744-D772 HydrophobicContact CG-CB 3.85Å; D772-F774 VanDerWaalsContact C-N 3.34Å; D772-F774 PolarHBondContact O-N 2.95Å; D772-L775 PolarHBondContact O-N 2.94Å; D772-G776 PolarHBondContact O-N 3.03Å
773	M	95.1	Very high	93.9	Very high	29 Å²	29	56.6 Å²	56.6	14%	0.143	32%	0.317	C	S	.	.	H	α-helix	trans	-62.5	-41.3	177.6	-63.9	-174.8	70.3	0	0	111.6	F560 F729 Y739 Y741 P770 G776 S777	F560-M773 HydrophobicContact CE1-CE 3.9Å; F560-M773 HydrophobicContact CE1-SD 4.07Å; F729-M773 HydrophobicContact CB-CE 4.17Å; F729-M773 HydrophobicContact CD1-CE 3.92Å; F729-M773 HydrophobicContact CD2-CE 3.41Å; F729-M773 VanDerWaalsContact CD2-CE 3.41Å; F729-M773 HydrophobicContact CE1-CE 4.06Å; F729-M773 HydrophobicContact CE2-CE 3.6Å; F729-M773 HydrophobicContact CG-CE 3.56Å; F729-M773 HydrophobicContact CZ-CE 3.91Å; Y739-M773 WeakPolarHBondContact CE2-O 3.3Å; Y741-M773 HydrophobicContact CD1-CG 4.31Å; Y741-M773 HydrophobicContact CD2-CG 3.92Å; Y741-M773 HydrophobicContact CE1-CG 4.17Å; Y741-M773 HydrophobicContact CE2-CG 3.74Å; Y741-M773 HydrophobicContact CG-CG 4.2Å; P770-M773 HydrophobicContact CB-CB 4.24Å; P770-M773 HydrophobicContact CB-CG 4.3Å; P770-M773 HydrophobicContact CB-SD 4.22Å; M773-G776 PolarHBondContact O-N 2.96Å; M773-S777 WeakPolarHBondContact O-CB 3.4Å; M773-S777 PolarHBondContact O-N 3.38Å
774	F	95.4	Very high	94	Very high	25 Å²	25	48.4 Å²	48.4	11%	0.11	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-49.9	177	171.1	-107.3	0	0	0	111.3	C671 C762 K763 P765 P770 D771 D772 G776 S777 C778	C671-F774 WeakPolarHBondContact SG-CD1 3.44Å; C762-F774 HydrophobicContact CB-CE1 3.94Å; C762-F774 HydrophobicContact CB-CZ 3.93Å; K763-F774 WeakPolarHBondContact O-CE2 3.3Å; K763-F774 WeakPolarHBondContact O-CZ 3.39Å; P765-F774 HydrophobicContact CG-CD2 3.99Å; P765-F774 HydrophobicContact CG-CE2 4.08Å; P770-F774 WeakPolarHBondContact O-CB 3.48Å; P770-F774 PolarHBondContact O-N 2.93Å; D771-F774 PolarHBondContact O-N 2.72Å; D772-F774 VanDerWaalsContact C-N 3.34Å; D772-F774 PolarHBondContact O-N 2.95Å; F774-G776 VanDerWaalsContact C-N 3.33Å; F774-G776 PolarHBondContact O-N 2.75Å; F774-S777 PolarHBondContact O-N 3.22Å; F774-S777 PolarHBondContact O-OG 3.03Å; F774-C778 WeakPolarHBondContact O-CB 3.36Å; F774-C778 PolarHBondContact O-N 3.36Å
775	L	95.9	Very high	94.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-40.3	177.4	-89.9	86.5	0	0	0	111.5	T674 M675 L678 F744 F750 F758 D771 D772 S777 C778 A779	T674-L775 HydrophobicContact CG2-CD1 4.24Å; M675-L775 HydrophobicContact SD-CD1 4.15Å; L678-L775 HydrophobicContact CD1-CD2 3.84Å; F744-L775 HydrophobicContact CZ-CD1 4.24Å; F744-L775 HydrophobicContact CZ-CD2 4.07Å; F744-L775 HydrophobicContact CZ-CG 4.5Å; F750-L775 HydrophobicContact CE1-CD2 3.87Å; F750-L775 HydrophobicContact CZ-CD2 4.22Å; F758-L775 HydrophobicContact CD1-CD2 4.06Å; F758-L775 HydrophobicContact CD1-CG 4.27Å; F758-L775 HydrophobicContact CD2-CD2 4.04Å; F758-L775 HydrophobicContact CE1-CB 4.25Å; F758-L775 HydrophobicContact CE1-CD2 4.18Å; F758-L775 HydrophobicContact CE1-CG 4.33Å; F758-L775 HydrophobicContact CE2-CD2 4.13Å; F758-L775 HydrophobicContact CG-CD2 4Å; F758-L775 HydrophobicContact CZ-CD2 4.21Å; D771-L775 WeakPolarHBondContact O-CB 3.43Å; D771-L775 WeakPolarHBondContact O-CD1 3.33Å; D771-L775 PolarHBondContact O-N 3.12Å; D772-L775 PolarHBondContact O-N 2.94Å; L775-S777 PolarHBondContact O-N 3.35Å; L775-C778 CarbonylContact O-C 3.49Å; L775-C778 PolarHBondContact O-N 3.46Å; L775-C778 VanDerWaalsContact O-N 3.15Å; L775-A779 PolarHBondContact O-N 3.39Å
776	G	96.3	Very high	94.4	Very high	4 Å²	4	48.1 Å²	48.1	4%	0.041	27%	0.273	C	S	.	.	H	α-helix	trans	-59.6	-46	174.5	0	0	0	0	0	112.5	D740 D772 M773 F774 C778 A779	D740-G776 CarbonylContact O-C 3.54Å; D740-G776 WeakPolarHBondContact O-CA 3.38Å; D772-G776 PolarHBondContact O-N 3.03Å; M773-G776 PolarHBondContact O-N 2.96Å; F774-G776 VanDerWaalsContact C-N 3.33Å; F774-G776 PolarHBondContact O-N 2.75Å; G776-C778 PolarHBondContact O-N 2.82Å; G776-A779 WeakPolarHBondContact O-CB 3.27Å; G776-A779 PolarHBondContact O-N 2.9Å
777	S	95.4	Very high	94.6	Very high	48 Å²	48	43.8 Å²	43.8	34%	0.336	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-30.8	175.8	79.3	0	0	0	0	113	M773 F774 L775	M773-S777 WeakPolarHBondContact O-CB 3.4Å; M773-S777 PolarHBondContact O-N 3.38Å; F774-S777 PolarHBondContact O-N 3.22Å; F774-S777 PolarHBondContact O-OG 3.03Å; L775-S777 PolarHBondContact O-N 3.35Å
778	C	96.5	Very high	94.8	Very high	12 Å²	12	42.1 Å²	42.1	8%	0.081	25%	0.246	C	C	.	.	H	α-helix	trans	-88.1	-15.7	179.9	-167.4	0	0	0	0	113.5	C762 F774 L775 G776 S780 V781 A782	C762-C778 WeakPolarHBondContact CA-SG 3.29Å; C762-C778 HydrophobicContact CB-CB 3.94Å; C762-C778 WeakPolarHBondContact CB-SG 3.48Å; C762-C778 WeakPolarHBondContact SG-CB 3.4Å; C762-C778 CovalentContact SG-SG 2.02Å; C762-C778 PolarHBondContact SG-SG 2.99Å; F774-C778 WeakPolarHBondContact O-CB 3.36Å; F774-C778 PolarHBondContact O-N 3.36Å; L775-C778 CarbonylContact O-C 3.49Å; L775-C778 PolarHBondContact O-N 3.46Å; L775-C778 VanDerWaalsContact O-N 3.15Å; G776-C778 PolarHBondContact O-N 2.82Å; C778-S780 VanDerWaalsContact C-N 3.28Å; C778-S780 PolarHBondContact O-N 3.49Å; C778-V781 CarbonylContact O-C 3.54Å; C778-V781 WeakPolarHBondContact O-CA 3.17Å; C778-V781 WeakPolarHBondContact O-CB 3.33Å; C778-V781 PolarHBondContact O-N 3.09Å; C778-A782 PolarHBondContact O-N 3.47Å
779	A	96.6	Very high	94.9	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-39.9	-172.2	0	0	0	0	0	113.1	F758 L775 G776 V781 A782 N783 V784 L786	F758-A779 HydrophobicContact CE1-CB 4.16Å; F758-A779 HydrophobicContact CZ-CB 4.34Å; L775-A779 PolarHBondContact O-N 3.39Å; G776-A779 WeakPolarHBondContact O-CB 3.27Å; G776-A779 PolarHBondContact O-N 2.9Å; A779-V781 PolarHBondContact O-N 2.91Å; A779-A782 CarbonylContact O-C 3.55Å; A779-A782 PolarHBondContact O-N 2.87Å; A779-N783 PolarHBondContact O-N 2.88Å; A779-V784 PolarHBondContact O-N 3.26Å; A779-L786 HydrophobicContact CB-CD1 3.92Å; A779-L786 HydrophobicContact CB-CD2 3.69Å; A779-L786 HydrophobicContact CB-CG 3.78Å
780	S	91.5	Very high	94.9	Very high	101 Å²	101	40.3 Å²	40.3	71%	0.706	24%	0.239	S	C	*	.	H	α-helix	trans	-62.9	-39.3	174.9	61.9	0	0	0	0	113	C778 N783	C778-S780 VanDerWaalsContact C-N 3.28Å; C778-S780 PolarHBondContact O-N 3.49Å; S780-N783 PolarHBondContact O-N 3.26Å
781	V	93.1	Very high	94.9	Very high	106 Å²	106	37.8 Å²	37.8	64%	0.642	22%	0.222	S	C	*	.	H	α-helix	trans	-72.8	-35.9	176.9	-178.9	0	0	0	0	110.8	A761 C778 A779 N783	A761-V781 HydrophobicContact CB-CG1 4.47Å; C778-V781 CarbonylContact O-C 3.54Å; C778-V781 WeakPolarHBondContact O-CA 3.17Å; C778-V781 WeakPolarHBondContact O-CB 3.33Å; C778-V781 PolarHBondContact O-N 3.09Å; A779-V781 PolarHBondContact O-N 2.91Å; V781-N783 PolarHBondContact O-N 3.19Å
782	A	95.5	Very high	95	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-75.9	-9	175.1	0	0	0	0	0	113.2	N757 F758 A761 C778 A779 V784	N757-A782 HydrophobicContact CB-CB 4.48Å; N757-A782 VanDerWaalsContact CB-O 3.28Å; N757-A782 WeakPolarHBondContact CB-O 3.36Å; N757-A782 PolarHBondContact ND2-O 3.12Å; F758-A782 HydrophobicContact CD1-CB 3.81Å; F758-A782 HydrophobicContact CE1-CB 4.13Å; A761-A782 HydrophobicContact CB-CB 3.94Å; C778-A782 PolarHBondContact O-N 3.47Å; A779-A782 CarbonylContact O-C 3.55Å; A779-A782 PolarHBondContact O-N 2.87Å; A782-V784 VanDerWaalsContact C-N 3.33Å; A782-V784 HydrophobicContact CB-CG2 3.9Å; A782-V784 PolarHBondContact O-N 2.76Å
783	N	95.6	Very high	95.1	Very high	119 Å²	119	36.6 Å²	36.6	64%	0.636	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	52.8	-172.1	-168.4	66.5	0	0	0	111.5	P720 N757 A779 S780 V781	P720-N783 VanDerWaalsContact CG-O 3.31Å; P720-N783 WeakPolarHBondContact CG-O 3.39Å; N757-N783 PolarHBondContact ND2-O 3.23Å; A779-N783 PolarHBondContact O-N 2.88Å; S780-N783 PolarHBondContact O-N 3.26Å; V781-N783 PolarHBondContact O-N 3.19Å
784	V	97.5	Very high	95	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.042	22%	0.216	C	C	.	.			trans	-117.4	130.8	176.2	176.2	0	0	0	0	109.1	P720 H722 A754 N757 F758 A779 A782	P720-V784 HydrophobicContact CB-CG2 4.34Å; P720-V784 WeakPolarHBondContact O-CA 3.27Å; P720-V784 WeakPolarHBondContact O-CG1 3.49Å; H722-V784 HydrophobicContact CB-CG1 3.71Å; A754-V784 HydrophobicContact CB-CG1 3.91Å; A754-V784 HydrophobicContact CB-CG2 4.12Å; N757-V784 HydrophobicContact CB-CG2 3.71Å; F758-V784 HydrophobicContact CD1-CG2 4.41Å; F758-V784 HydrophobicContact CD2-CG2 4.13Å; F758-V784 HydrophobicContact CE1-CB 4.22Å; F758-V784 HydrophobicContact CE1-CG2 4.19Å; F758-V784 HydrophobicContact CE2-CB 4.06Å; F758-V784 HydrophobicContact CE2-CG1 3.6Å; F758-V784 HydrophobicContact CE2-CG2 3.92Å; F758-V784 HydrophobicContact CG-CG2 4.38Å; F758-V784 HydrophobicContact CZ-CB 3.75Å; F758-V784 HydrophobicContact CZ-CG1 3.57Å; F758-V784 HydrophobicContact CZ-CG2 3.93Å; A779-V784 PolarHBondContact O-N 3.26Å; A782-V784 VanDerWaalsContact C-N 3.33Å; A782-V784 HydrophobicContact CB-CG2 3.9Å; A782-V784 PolarHBondContact O-N 2.76Å
785	D	95.3	Very high	95	Very high	82 Å²	82	36.7 Å²	36.7	44%	0.439	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	123.2	177.4	-68.1	-35.2	0	0	0	110.4	P720 H722	P720-D785 PolarHBondContact O-N 2.97Å; H722-D785 PolarHBondContact N-O 3.07Å
786	L	97	Very high	94.8	Very high	42 Å²	42	38.4 Å²	38.4	22%	0.22	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	116.7	174.5	-57.1	-176.9	0	0	0	109.5	H722 D740 I742 A779	H722-L786 HydrophobicContact CB-CD2 3.96Å; H722-L786 WeakPolarHBondContact ND1-CD2 3.11Å; H722-L786 CarbonylContact O-C 3.58Å; H722-L786 WeakPolarHBondContact O-CA 3.45Å; D740-L786 HydrophobicContact CB-CD1 4.05Å; D740-L786 WeakPolarHBondContact O-CD1 3.37Å; I742-L786 HydrophobicContact CD1-CB 4.43Å; I742-L786 HydrophobicContact CG1-CB 4.34Å; I742-L786 HydrophobicContact CG1-CD2 4.21Å; A779-L786 HydrophobicContact CB-CD1 3.92Å; A779-L786 HydrophobicContact CB-CD2 3.69Å; A779-L786 HydrophobicContact CB-CG 3.78Å
787	V	94.9	Very high	94.6	Very high	32 Å²	32	38.2 Å²	38.2	19%	0.194	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.2	-175	178	0	0	0	0	110.3	F715 I721 H722 L723 G724 I742	F715-V787 HydrophobicContact CD1-CG1 4.43Å; F715-V787 HydrophobicContact CE1-CG1 3.57Å; F715-V787 HydrophobicContact CZ-CG1 3.9Å; I721-V787 HydrophobicContact CG2-CB 4.16Å; I721-V787 HydrophobicContact CG2-CG2 3.71Å; H722-V787 PolarHBondContact O-N 3.27Å; L723-V787 WeakPolarHBondContact CA-O 3.08Å; L723-V787 HydrophobicContact CB-CB 4.25Å; L723-V787 HydrophobicContact CD1-CB 4.49Å; L723-V787 HydrophobicContact CD1-CG1 4.05Å; L723-V787 HydrophobicContact CG-CB 4.4Å; L723-V787 HydrophobicContact CG-CG1 4.3Å; G724-V787 PolarHBondContact N-O 3.14Å; I742-V787 WeakPolarHBondContact CD1-O 3.39Å
788	H	95	Very high	94.3	Very high	67 Å²	67	41 Å²	41	31%	0.31	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.9	172.3	176.8	46.4	0	0	0	111.7	G724 R726	G724-H788 CarbonylContact O-C 3.55Å; G724-H788 WeakPolarHBondContact O-CA 3.08Å; R726-H788 HydrophobicContact CB-CB 3.95Å; R726-H788 HydrophobicContact CG-CB 3.63Å; R726-H788 PolarHBondContact N-ND1 3.23Å
789	S	93.2	Very high	94.1	Very high	9 Å²	9	41 Å²	41	6%	0.063	22%	0.224	C	C	.	.			trans	-119.3	130.4	162.3	174.6	0	0	0	0	110	G724 L791	G724-S789 PolarHBondContact O-N 2.79Å; S789-L791 PolarHBondContact O-N 2.62Å; S789-L791 WeakPolarHBondContact OG-CB 3.45Å; S789-L791 PolarHBondContact OG-N 3.05Å
790	S	90.1	Very high	93.9	Very high	51 Å²	51	41.9 Å²	41.9	36%	0.357	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	6.4	173.5	60.9	0	0	0	0	113.2	R533	R533-S790 PolarHBondContact NH2-OG 3.48Å
791	L	93.1	Very high	93.9	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.089	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-8.8	176.7	-51.7	-179.7	0	0	0	112.3	L711 S789 E806 S809 V811 S812	L711-L791 HydrophobicContact CD1-CD1 4.09Å; L711-L791 HydrophobicContact CD2-CD1 4.3Å; S789-L791 PolarHBondContact O-N 2.62Å; S789-L791 WeakPolarHBondContact OG-CB 3.45Å; S789-L791 PolarHBondContact OG-N 3.05Å; L791-E806 HydrophobicContact CD2-CB 4.25Å; L791-E806 HydrophobicContact CD2-CG 4.47Å; L791-S809 WeakPolarHBondContact CD1-O 3.29Å; L791-S809 VanDerWaalsContact CD2-OG 3.31Å; L791-S809 WeakPolarHBondContact CD2-OG 3.33Å; L791-V811 HydrophobicContact CB-CB 4.17Å; L791-V811 HydrophobicContact CB-CG2 3.77Å; L791-V811 HydrophobicContact CD1-CG2 4.31Å; L791-V811 WeakPolarHBondContact O-CB 3.33Å; L791-V811 PolarHBondContact O-N 3.02Å; L791-S812 PolarHBondContact O-N 3.04Å
792	F	96.7	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-101.6	138.6	175.1	-72.9	-106.8	0	0	0	110.1	L708 L711 L723 Q725 G746 G747 V749 V811 S812	L708-F792 HydrophobicContact CD1-CE2 4.5Å; L708-F792 HydrophobicContact CD1-CZ 3.81Å; L711-F792 HydrophobicContact CD2-CD2 4.34Å; L711-F792 HydrophobicContact CD2-CE2 3.56Å; L711-F792 HydrophobicContact CD2-CZ 4.49Å; L723-F792 HydrophobicContact CD2-CD2 4.16Å; L723-F792 HydrophobicContact CD2-CE2 3.33Å; L723-F792 HydrophobicContact CD2-CZ 3.62Å; Q725-F792 HydrophobicContact CB-CB 4.04Å; Q725-F792 WeakPolarHBondContact CB-O 3.42Å; G746-F792 WeakPolarHBondContact O-CD1 3.5Å; G747-F792 WeakPolarHBondContact O-CD1 3.21Å; G747-F792 WeakPolarHBondContact O-CE1 3.29Å; V749-F792 HydrophobicContact CG2-CE1 4.22Å; V749-F792 HydrophobicContact CG2-CZ 3.81Å; F792-V811 HydrophobicContact CD1-CG1 4.32Å; F792-V811 HydrophobicContact CD2-CB 4.22Å; F792-V811 HydrophobicContact CD2-CG1 4.31Å; F792-V811 HydrophobicContact CE1-CG1 3.82Å; F792-V811 HydrophobicContact CE2-CB 4.07Å; F792-V811 HydrophobicContact CE2-CG1 3.81Å; F792-V811 HydrophobicContact CE2-CG2 4.27Å; F792-V811 HydrophobicContact CZ-CB 4.32Å; F792-V811 HydrophobicContact CZ-CG1 3.56Å; F792-S812 WeakPolarHBondContact CA-OG 3.46Å; F792-S812 WeakPolarHBondContact CD1-OG 3.44Å
793	H	96.6	Very high	93.4	Very high	9 Å²	9	41.8 Å²	41.8	4%	0.042	21%	0.211	C	C	.	.			trans	-133.4	119.9	-177.5	-55.3	85.9	0	0	0	111.6	G746 N795 Y800 S812 F813 H814	G746-H793 VanDerWaalsContact CA-O 3.25Å; G746-H793 WeakPolarHBondContact CA-O 3.49Å; H793-N795 PolarHBondContact O-N 3.44Å; H793-Y800 HydrophobicContact CB-CE2 3.7Å; H793-Y800 AromaticContact CD2-CD2 3.97Å; H793-Y800 AromaticContact CD2-CE2 3.8Å; H793-Y800 AromaticContact CD2-CZ 3.83Å; H793-S812 WeakPolarHBondContact CB-O 3.38Å; H793-S812 PolarHBondContact N-O 2.96Å; H793-S812 PolarHBondContact ND1-O 3.35Å; H793-F813 HydrophobicContact CB-CD1 3.55Å; H793-F813 HydrophobicContact CB-CE1 3.9Å; H793-F813 HydrophobicContact CB-CG 4.41Å; H793-F813 AromaticContact CG-CD1 3.81Å; H793-F813 AromaticContact CG-CE1 3.62Å; H793-F813 AromaticContact ND1-CD1 3.97Å; H793-F813 AromaticContact ND1-CE1 3.6Å; H793-F813 CarbonylContact O-C 3.59Å; H793-F813 WeakPolarHBondContact O-CA 3.12Å; H793-H814 PolarHBondContact O-N 3.48Å
794	Q	94.8	Very high	93.1	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.154	19%	0.187	C	C	.	.	S	Bend	trans	-72.6	-12.6	177.8	-178.9	55.7	27.9	0	0	113.2	Y727 T743 G745 Y800 H814	Y727-Q794 HydrophobicContact CE2-CB 4.31Å; Y727-Q794 HydrophobicContact CE2-CG 3.93Å; Y727-Q794 WeakPolarHBondContact OH-CB 3.36Å; T743-Q794 HydrophobicContact CG2-CB 4.4Å; T743-Q794 HydrophobicContact CG2-CG 4.16Å; T743-Q794 PolarHBondContact OG1-OE1 3.19Å; G745-Q794 VanDerWaalsContact N-OE1 3.13Å; Q794-Y800 PolarHBondContact N-OH 3.04Å; Q794-H814 WeakPolarHBondContact O-CB 3.29Å; Q794-H814 PolarHBondContact O-ND1 3.19Å
795	N	94	Very high	92.7	Very high	24 Å²	24	37.4 Å²	37.4	13%	0.128	19%	0.187	C	C	.	.	S	Bend	trans	-126.3	-175.7	177.5	-61.6	-67	0	0	0	110.9	I516 V517 Y727 H793 D799 Y800 H814	I516-N795 HydrophobicContact CG2-CB 4.03Å; I516-N795 VanDerWaalsContact CG2-CG 3.45Å; I516-N795 WeakPolarHBondContact CG2-OD1 3.17Å; V517-N795 HydrophobicContact CG2-CB 4.37Å; V517-N795 WeakPolarHBondContact CG2-ND2 3.44Å; Y727-N795 PolarHBondContact OH-ND2 2.84Å; H793-N795 PolarHBondContact O-N 3.44Å; N795-D799 HydrophobicContact CB-CB 3.9Å; N795-Y800 HydrophobicContact CB-CE2 3.9Å; N795-Y800 PolarHBondContact N-OH 3.26Å; N795-Y800 VanDerWaalsContact N-OH 3.13Å; N795-H814 CarbonylContact C-O 3.6Å; N795-H814 VanDerWaalsContact C-O 3.23Å; N795-H814 PolarHBondContact O-N 3.1Å
796	R	92.7	Very high	91.9	Very high	35 Å²	35	35 Å²	35	13%	0.132	17%	0.173	C	C	.	.			trans	-75.6	158.8	-177.7	-55.5	163.9	-60.6	174.1	5.6	109.7	Y798 D799 Y800 H814 W817 M819	R796-Y798 PolarHBondContact O-N 3.44Å; R796-Y798 VanDerWaalsContact O-N 3.14Å; R796-D799 VanDerWaalsContact CB-OD2 3.3Å; R796-D799 WeakPolarHBondContact CB-OD2 3.42Å; R796-D799 IonicContact CZ-OD1 2.71Å; R796-D799 IonicContact CZ-OD2 3.2Å; R796-D799 PolarHBondContact N-OD2 2.79Å; R796-D799 VanDerWaalsContact N-OD2 3.08Å; R796-D799 IonicContact NE-OD1 2.71Å; R796-D799 IonicContact NE-OD2 2.84Å; R796-D799 PolarHBondContact NE-OD2 2.86Å; R796-D799 IonicContact NH2-OD1 3.47Å; R796-D799 PolarHBondContact NH2-OD1 3.49Å; R796-D799 IonicContact NH2-OD2 3.61Å; R796-D799 PolarHBondContact NH2-OD2 3.11Å; R796-D799 WeakPolarHBondContact O-CB 3.4Å; R796-D799 PolarHBondContact O-N 3.25Å; R796-Y800 WeakPolarHBondContact O-CD2 3.27Å; R796-Y800 WeakPolarHBondContact O-CE2 3.35Å; R796-H814 PolarHBondContact N-O 3.22Å; R796-W817 VanDerWaalsContact CD-O 3.27Å; R796-W817 WeakPolarHBondContact CD-O 3.47Å; R796-W817 PolarHBondContact NH1-O 3.41Å; R796-M819 HydrophobicContact CB-SD 3.97Å; R796-M819 HydrophobicContact CG-CE 4.25Å; R796-M819 HydrophobicContact CG-SD 4.14Å
797	P	91.9	Very high	90.8	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-53.1	-38.4	176.5	-22.4	29.9	0	0	0	113.3	D799 Y800 L805 F813 M819 Y828	P797-D799 PolarHBondContact O-N 3.48Å; P797-Y800 PolarHBondContact O-N 2.83Å; P797-L805 HydrophobicContact CB-CD1 4.2Å; P797-F813 HydrophobicContact CB-CD1 4.11Å; P797-F813 HydrophobicContact CB-CE1 3.79Å; P797-F813 HydrophobicContact CB-CE2 4.43Å; P797-F813 HydrophobicContact CB-CZ 3.94Å; P797-F813 HydrophobicContact CG-CB 4.33Å; P797-F813 HydrophobicContact CG-CD1 3.62Å; P797-F813 HydrophobicContact CG-CD2 3.8Å; P797-F813 HydrophobicContact CG-CE1 3.74Å; P797-F813 HydrophobicContact CG-CE2 3.91Å; P797-F813 HydrophobicContact CG-CG 3.64Å; P797-F813 HydrophobicContact CG-CZ 3.86Å; P797-M819 HydrophobicContact CG-SD 4.45Å; P797-Y828 HydrophobicContact CB-CD1 3.89Å; P797-Y828 HydrophobicContact CB-CD2 3.7Å; P797-Y828 HydrophobicContact CB-CE1 3.74Å; P797-Y828 HydrophobicContact CB-CE2 3.56Å; P797-Y828 HydrophobicContact CB-CG 3.87Å; P797-Y828 HydrophobicContact CG-CD1 4.44Å; P797-Y828 HydrophobicContact CG-CD2 3.6Å; P797-Y828 HydrophobicContact CG-CE2 3.86Å; P797-Y828 HydrophobicContact CG-CG 3.93Å
798	Y	89.7	Confident	90	Very high	107 Å²	107	40.9 Å²	40.9	42%	0.42	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-70.2	-13.5	-177.7	-41.8	-53.4	0	0	0	114.4	R796 M819 Y828	R796-Y798 PolarHBondContact O-N 3.44Å; R796-Y798 VanDerWaalsContact O-N 3.14Å; Y798-M819 HydrophobicContact CD2-SD 4.39Å; Y798-M819 HydrophobicContact CE2-CB 4.3Å; Y798-M819 HydrophobicContact CE2-CG 3.77Å; Y798-M819 HydrophobicContact CE2-SD 3.81Å; Y798-Y828 AromaticContact CE1-CE2 3.84Å; Y798-Y828 HydrophobicContact CE1-CE2 3.84Å; Y798-Y828 WeakPolarHBondContact CE1-OH 3.41Å
799	D	91.1	Very high	89.7	Confident	10 Å²	10	39 Å²	39	5%	0.053	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-84.3	-0.8	178.4	-60.5	-54.6	0	0	0	112.1	T515 I516 V517 N795 R796 P797	T515-D799 WeakPolarHBondContact CB-O 3.31Å; I516-D799 HydrophobicContact CG2-CB 4.02Å; V517-D799 HydrophobicContact CG2-CB 4.19Å; V517-D799 WeakPolarHBondContact CG2-O 3.43Å; N795-D799 HydrophobicContact CB-CB 3.9Å; R796-D799 VanDerWaalsContact CB-OD2 3.3Å; R796-D799 WeakPolarHBondContact CB-OD2 3.42Å; R796-D799 IonicContact CZ-OD1 2.71Å; R796-D799 IonicContact CZ-OD2 3.2Å; R796-D799 PolarHBondContact N-OD2 2.79Å; R796-D799 VanDerWaalsContact N-OD2 3.08Å; R796-D799 IonicContact NE-OD1 2.71Å; R796-D799 IonicContact NE-OD2 2.84Å; R796-D799 PolarHBondContact NE-OD2 2.86Å; R796-D799 IonicContact NH2-OD1 3.47Å; R796-D799 PolarHBondContact NH2-OD1 3.49Å; R796-D799 IonicContact NH2-OD2 3.61Å; R796-D799 PolarHBondContact NH2-OD2 3.11Å; R796-D799 WeakPolarHBondContact O-CB 3.4Å; R796-D799 PolarHBondContact O-N 3.25Å; P797-D799 PolarHBondContact O-N 3.48Å
800	Y	92.3	Very high	89.6	Confident	22 Å²	22	38.6 Å²	38.6	9%	0.086	19%	0.191	C	C	.	.	S	Bend	trans	-121.5	148.8	178.7	-56.2	-86.3	0	0	0	110.7	V517 H793 Q794 N795 R796 P797 D802 L805	V517-Y800 HydrophobicContact CG1-CD1 4.45Å; V517-Y800 HydrophobicContact CG1-CE1 4.17Å; V517-Y800 HydrophobicContact CG2-CD1 4.02Å; V517-Y800 HydrophobicContact CG2-CE1 3.56Å; V517-Y800 HydrophobicContact CG2-CE2 4.47Å; H793-Y800 HydrophobicContact CB-CE2 3.7Å; H793-Y800 AromaticContact CD2-CD2 3.97Å; H793-Y800 AromaticContact CD2-CE2 3.8Å; H793-Y800 AromaticContact CD2-CZ 3.83Å; Q794-Y800 PolarHBondContact N-OH 3.04Å; N795-Y800 HydrophobicContact CB-CE2 3.9Å; N795-Y800 PolarHBondContact N-OH 3.26Å; N795-Y800 VanDerWaalsContact N-OH 3.13Å; R796-Y800 WeakPolarHBondContact O-CD2 3.27Å; R796-Y800 WeakPolarHBondContact O-CE2 3.35Å; P797-Y800 PolarHBondContact O-N 2.83Å; Y800-D802 PolarHBondContact O-N 2.8Å; Y800-L805 HydrophobicContact CD2-CD2 4.24Å; Y800-L805 HydrophobicContact CG-CD2 4.17Å
801	N	92.5	Very high	89.9	Confident	25 Å²	25	36.2 Å²	36.2	13%	0.134	17%	0.174	C	C	.	.			trans	-62.1	134.8	169.6	-179.4	-70.9	0	0	0	110.6	K510 E803 L804	K510-N801 PolarHBondContact O-ND2 3.36Å; N801-E803 PolarHBondContact O-N 3.37Å; N801-E803 VanDerWaalsContact O-N 3.09Å; N801-E803 VanDerWaalsContact OD1-CB 3.29Å; N801-E803 WeakPolarHBondContact OD1-CB 3.39Å; N801-E803 PolarHBondContact OD1-N 3.47Å; N801-L804 HydrophobicContact CB-CD1 4.09Å; N801-L804 HydrophobicContact CB-CG 4.27Å; N801-L804 WeakPolarHBondContact O-CB 3.46Å; N801-L804 PolarHBondContact O-N 3.35Å
802	D	89	Confident	90.1	Very high	91 Å²	91	35.4 Å²	35.4	49%	0.487	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-28.3	-176.8	-98.2	-10.2	0	0	0	113.7	Y800 L804 L805	Y800-D802 PolarHBondContact O-N 2.8Å; D802-L804 VanDerWaalsContact C-N 3.31Å; D802-L805 PolarHBondContact O-N 3.16Å
803	E	88.5	Confident	90.1	Very high	95 Å²	95	35.5 Å²	35.5	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.4	176.4	-62.7	-171.3	-150.9	0	0	113.6	H507 L509 N801	H507-E803 IonicContact CD2-OE2 3.78Å; H507-E803 IonicContact CE1-OE2 2.84Å; H507-E803 IonicContact NE2-OE2 3.74Å; H507-E803 PolarHBondContact NE2-OE2 3.37Å; L509-E803 HydrophobicContact CD2-CB 3.99Å; L509-E803 HydrophobicContact CD2-CG 4.36Å; N801-E803 PolarHBondContact O-N 3.37Å; N801-E803 VanDerWaalsContact O-N 3.09Å; N801-E803 VanDerWaalsContact OD1-CB 3.29Å; N801-E803 WeakPolarHBondContact OD1-CB 3.39Å; N801-E803 PolarHBondContact OD1-N 3.47Å
804	L	88.9	Confident	90	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.12	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-25.2	174.1	-62.8	173.1	0	0	0	111.5	L509 Y529 R533 Q565 N801 D802 E806	L509-L804 HydrophobicContact CD1-CD1 4.12Å; L509-L804 HydrophobicContact CD1-CD2 3.58Å; L509-L804 HydrophobicContact CD1-CG 3.81Å; Y529-L804 HydrophobicContact CE2-CD1 4.49Å; R533-L804 PolarHBondContact NH1-O 3.08Å; Q565-L804 VanDerWaalsContact NE2-CD1 3.28Å; N801-L804 HydrophobicContact CB-CD1 4.09Å; N801-L804 HydrophobicContact CB-CG 4.27Å; N801-L804 WeakPolarHBondContact O-CB 3.46Å; N801-L804 PolarHBondContact O-N 3.35Å; D802-L804 VanDerWaalsContact C-N 3.31Å; L804-E806 PolarHBondContact O-N 3.39Å
805	L	88.6	Confident	89.7	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.058	18%	0.177	C	C	.	.			trans	-79.2	110.5	-179.7	-58.8	-177.3	0	0	0	111.3	P797 Y800 D802 K807 F813 Y828	P797-L805 HydrophobicContact CB-CD1 4.2Å; Y800-L805 HydrophobicContact CD2-CD2 4.24Å; Y800-L805 HydrophobicContact CG-CD2 4.17Å; D802-L805 PolarHBondContact O-N 3.16Å; L805-K807 VanDerWaalsContact C-N 3.35Å; L805-K807 PolarHBondContact O-N 3.01Å; L805-F813 HydrophobicContact CD1-CZ 4.48Å; L805-F813 HydrophobicContact CD2-CE1 3.79Å; L805-F813 HydrophobicContact CD2-CZ 3.96Å; L805-Y828 HydrophobicContact CD1-CD1 4.16Å; L805-Y828 HydrophobicContact CD1-CE1 3.87Å
806	E	78.6	Confident	89.6	Confident	31 Å²	31	36.5 Å²	36.5	15%	0.145	18%	0.177	C	C	.	.			trans	-80.6	81.8	170.9	-63.7	-176.4	-160.3	0	0	110.1	R533 H598 L791 L804 D808 S809 T810	R533-E806 IonicContact CZ-OE1 3.25Å; R533-E806 IonicContact NE-OE1 3.92Å; R533-E806 PolarHBondContact NE-OE1 3.42Å; R533-E806 IonicContact NH1-OE1 3.87Å; R533-E806 IonicContact NH2-OE1 3.83Å; R533-E806 PolarHBondContact NH2-OE1 3.16Å; H598-E806 IonicContact CD2-OE1 2.74Å; H598-E806 IonicContact CE1-OE1 2.96Å; H598-E806 IonicContact NE2-OE1 2.73Å; H598-E806 PolarHBondContact NE2-OE1 3.45Å; L791-E806 HydrophobicContact CD2-CB 4.25Å; L791-E806 HydrophobicContact CD2-CG 4.47Å; L804-E806 PolarHBondContact O-N 3.39Å; E806-D808 PolarHBondContact O-N 3.38Å; E806-S809 WeakPolarHBondContact CB-OG 3.4Å; E806-S809 PolarHBondContact O-N 2.7Å; E806-S809 PolarHBondContact O-OG 3.4Å; E806-S809 PolarHBondContact OE2-OG 3.29Å; E806-T810 VanDerWaalsContact C-OG1 3.27Å; E806-T810 WeakPolarHBondContact O-CB 3.34Å; E806-T810 PolarHBondContact O-N 3.04Å; E806-T810 PolarHBondContact O-OG1 3.49Å
807	K	74	Confident	89.2	Confident	96 Å²	96	41 Å²	41	42%	0.417	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-32.6	-172.9	-63.9	-175.9	-178.8	179.1	0	114	L805	L805-K807 VanDerWaalsContact C-N 3.35Å; L805-K807 PolarHBondContact O-N 3.01Å
808	D	80	Confident	88.9	Confident	101 Å²	101	44.6 Å²	44.6	54%	0.54	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-26.5	-179	-57.5	-36.4	0	0	0	114.2	N707 E806	N707-D808 PolarHBondContact ND2-O 2.86Å; N707-D808 PolarHBondContact OD1-O 3.38Å; E806-D808 PolarHBondContact O-N 3.38Å
809	S	87	Confident	88.8	Confident	28 Å²	28	40.4 Å²	40.4	20%	0.196	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-5.7	-172.3	58.3	0	0	0	0	113.6	N707 L791 E806 V811	N707-S809 VanDerWaalsContact ND2-C 3.32Å; N707-S809 WeakPolarHBondContact ND2-CA 3.37Å; L791-S809 WeakPolarHBondContact CD1-O 3.29Å; L791-S809 VanDerWaalsContact CD2-OG 3.31Å; L791-S809 WeakPolarHBondContact CD2-OG 3.33Å; E806-S809 WeakPolarHBondContact CB-OG 3.4Å; E806-S809 PolarHBondContact O-N 2.7Å; E806-S809 PolarHBondContact O-OG 3.4Å; E806-S809 PolarHBondContact OE2-OG 3.29Å; S809-V811 PolarHBondContact O-N 3.11Å
810	T	92.6	Very high	88.9	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.227	C	C	.	.			trans	-56.5	133.9	-178.4	-61.3	0	0	0	0	110.6	N707 E806 F813 L829	N707-T810 PolarHBondContact ND2-O 3.25Å; E806-T810 VanDerWaalsContact C-OG1 3.27Å; E806-T810 WeakPolarHBondContact O-CB 3.34Å; E806-T810 PolarHBondContact O-N 3.04Å; E806-T810 PolarHBondContact O-OG1 3.49Å; T810-F813 HydrophobicContact CG2-CD2 4.16Å; T810-F813 HydrophobicContact CG2-CE1 4.42Å; T810-F813 HydrophobicContact CG2-CE2 3.4Å; T810-F813 VanDerWaalsContact CG2-CE2 3.4Å; T810-F813 HydrophobicContact CG2-CZ 3.58Å; T810-L829 HydrophobicContact CG2-CD2 3.91Å
811	V	94.9	Very high	89.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.			trans	-96	-43.8	-176.5	171.4	0	0	0	0	110.7	L703 N704 N707 L708 L711 L791 F792 S809	L703-V811 CarbonylContact C-O 3.53Å; L703-V811 VanDerWaalsContact CA-O 3.25Å; L703-V811 WeakPolarHBondContact CA-O 3.44Å; L703-V811 HydrophobicContact CD1-CG1 3.85Å; N704-V811 PolarHBondContact N-O 3.39Å; N707-V811 HydrophobicContact CB-CG2 4.25Å; L708-V811 HydrophobicContact CB-CG1 3.99Å; L708-V811 HydrophobicContact CD1-CG1 4.02Å; L711-V811 HydrophobicContact CD2-CG2 4.08Å; L791-V811 HydrophobicContact CB-CB 4.17Å; L791-V811 HydrophobicContact CB-CG2 3.77Å; L791-V811 HydrophobicContact CD1-CG2 4.31Å; L791-V811 WeakPolarHBondContact O-CB 3.33Å; L791-V811 PolarHBondContact O-N 3.02Å; F792-V811 HydrophobicContact CD1-CG1 4.32Å; F792-V811 HydrophobicContact CD2-CB 4.22Å; F792-V811 HydrophobicContact CD2-CG1 4.31Å; F792-V811 HydrophobicContact CE1-CG1 3.82Å; F792-V811 HydrophobicContact CE2-CB 4.07Å; F792-V811 HydrophobicContact CE2-CG1 3.81Å; F792-V811 HydrophobicContact CE2-CG2 4.27Å; F792-V811 HydrophobicContact CZ-CB 4.32Å; F792-V811 HydrophobicContact CZ-CG1 3.56Å; S809-V811 PolarHBondContact O-N 3.11Å
812	S	96.9	Very high	89.2	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	158.8	-172.5	56.5	0	0	0	0	115.2	L702 G746 L791 F792 H793	L702-S812 WeakPolarHBondContact O-CA 3.37Å; L702-S812 VanDerWaalsContact O-CB 3.25Å; L702-S812 WeakPolarHBondContact O-CB 3.22Å; G746-S812 WeakPolarHBondContact O-CB 3.45Å; G746-S812 PolarHBondContact O-OG 3.39Å; L791-S812 PolarHBondContact O-N 3.04Å; F792-S812 WeakPolarHBondContact CA-OG 3.46Å; F792-S812 WeakPolarHBondContact CD1-OG 3.44Å; H793-S812 WeakPolarHBondContact CB-O 3.38Å; H793-S812 PolarHBondContact N-O 2.96Å; H793-S812 PolarHBondContact ND1-O 3.35Å
813	F	97.2	Very high	89.4	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	169.5	-67.4	-77.2	0	0	0	110.4	L702 H793 P797 L805 T810 Y828 L829	L702-F813 PolarHBondContact N-O 3.47Å; L702-F813 PolarHBondContact O-N 3.01Å; H793-F813 HydrophobicContact CB-CD1 3.55Å; H793-F813 HydrophobicContact CB-CE1 3.9Å; H793-F813 HydrophobicContact CB-CG 4.41Å; H793-F813 AromaticContact CG-CD1 3.81Å; H793-F813 AromaticContact CG-CE1 3.62Å; H793-F813 AromaticContact ND1-CD1 3.97Å; H793-F813 AromaticContact ND1-CE1 3.6Å; H793-F813 CarbonylContact O-C 3.59Å; H793-F813 WeakPolarHBondContact O-CA 3.12Å; P797-F813 HydrophobicContact CB-CD1 4.11Å; P797-F813 HydrophobicContact CB-CE1 3.79Å; P797-F813 HydrophobicContact CB-CE2 4.43Å; P797-F813 HydrophobicContact CB-CZ 3.94Å; P797-F813 HydrophobicContact CG-CB 4.33Å; P797-F813 HydrophobicContact CG-CD1 3.62Å; P797-F813 HydrophobicContact CG-CD2 3.8Å; P797-F813 HydrophobicContact CG-CE1 3.74Å; P797-F813 HydrophobicContact CG-CE2 3.91Å; P797-F813 HydrophobicContact CG-CG 3.64Å; P797-F813 HydrophobicContact CG-CZ 3.86Å; L805-F813 HydrophobicContact CD1-CZ 4.48Å; L805-F813 HydrophobicContact CD2-CE1 3.79Å; L805-F813 HydrophobicContact CD2-CZ 3.96Å; T810-F813 HydrophobicContact CG2-CD2 4.16Å; T810-F813 HydrophobicContact CG2-CE1 4.42Å; T810-F813 HydrophobicContact CG2-CE2 3.4Å; T810-F813 VanDerWaalsContact CG2-CE2 3.4Å; T810-F813 HydrophobicContact CG2-CZ 3.58Å; F813-Y828 HydrophobicContact CE2-CG 4.3Å; F813-L829 HydrophobicContact CD2-CD1 4.09Å; F813-L829 HydrophobicContact CD2-CD2 4.01Å; F813-L829 HydrophobicContact CD2-CG 3.98Å; F813-L829 HydrophobicContact CE2-CD2 4.06Å; F813-L829 HydrophobicContact CE2-CG 4.22Å
814	H	94.8	Very high	89.6	Confident	30 Å²	30	41.2 Å²	41.2	14%	0.139	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.8	-176.3	173.3	-117.8	0	0	0	113.7	D700 G745 H793 Q794 N795 R796	D700-H814 IonicContact OD1-CD2 3.32Å; D700-H814 PolarHBondContact OD1-CD2 2.98Å; D700-H814 IonicContact OD1-NE2 3.6Å; D700-H814 PolarHBondContact OD1-NE2 3.39Å; G745-H814 VanDerWaalsContact C-CB 3.42Å; G745-H814 VanDerWaalsContact C-CD2 3.43Å; G745-H814 VanDerWaalsContact CA-CD2 3.44Å; G745-H814 WeakPolarHBondContact CA-CD2 3.34Å; G745-H814 WeakPolarHBondContact O-CB 2.94Å; G745-H814 PolarHBondContact O-CD2 3.01Å; G745-H814 VanDerWaalsContact O-CG 3.24Å; H793-H814 PolarHBondContact O-N 3.48Å; Q794-H814 WeakPolarHBondContact O-CB 3.29Å; Q794-H814 PolarHBondContact O-ND1 3.19Å; N795-H814 CarbonylContact C-O 3.6Å; N795-H814 VanDerWaalsContact C-O 3.23Å; N795-H814 PolarHBondContact O-N 3.1Å; R796-H814 PolarHBondContact N-O 3.22Å
815	S	88.6	Confident	89.9	Confident	29 Å²	29	41.8 Å²	41.8	20%	0.203	21%	0.214	C	C	.	.			trans	76.5	124.7	-178.7	-170.8	0	0	0	0	114.7	D700 W817 M819	D700-S815 PolarHBondContact O-N 2.75Å; D700-S815 VanDerWaalsContact O-N 3.07Å; S815-W817 PolarHBondContact O-N 3.35Å; S815-W817 VanDerWaalsContact OG-CB 3.25Å; S815-W817 WeakPolarHBondContact OG-CB 3.37Å; S815-W817 PolarHBondContact OG-N 3.42Å; S815-W817 VanDerWaalsContact OG-N 3.17Å; S815-M819 WeakPolarHBondContact O-CE 3.32Å
816	F	91.4	Very high	90.1	Very high	29 Å²	29	46.3 Å²	46.3	13%	0.127	24%	0.235	C	C	.	.			trans	-82.3	0.4	170.7	-60.4	-12.4	0	0	0	112.4	R629 V632 L633 D699 D700 L702 A818 M819 P821	R629-F816 HydrophobicContact CB-CD2 4.15Å; R629-F816 HydrophobicContact CB-CE2 3.91Å; R629-F816 HydrophobicContact CG-CD2 4.13Å; R629-F816 HydrophobicContact CG-CE2 4.4Å; V632-F816 HydrophobicContact CB-CD2 4.43Å; V632-F816 HydrophobicContact CB-CE2 3.72Å; V632-F816 HydrophobicContact CB-CZ 4.16Å; V632-F816 HydrophobicContact CG1-CD2 4.34Å; V632-F816 HydrophobicContact CG1-CE1 4.39Å; V632-F816 HydrophobicContact CG1-CE2 3.67Å; V632-F816 HydrophobicContact CG1-CZ 3.69Å; V632-F816 HydrophobicContact CG2-CE2 4.32Å; L633-F816 HydrophobicContact CD2-CZ 3.85Å; L633-F816 HydrophobicContact CG-CZ 4.47Å; D699-F816 WeakPolarHBondContact O-CE2 3.17Å; D700-F816 VanDerWaalsContact C-CE1 3.47Å; D700-F816 HydrophobicContact CB-CB 4.46Å; D700-F816 HydrophobicContact CB-CD1 3.99Å; D700-F816 HydrophobicContact CB-CD2 3.99Å; D700-F816 HydrophobicContact CB-CE1 4.22Å; D700-F816 HydrophobicContact CB-CE2 4.22Å; D700-F816 HydrophobicContact CB-CG 3.88Å; D700-F816 HydrophobicContact CB-CZ 4.35Å; D700-F816 WeakPolarHBondContact O-CD1 3.47Å; D700-F816 VanDerWaalsContact O-CE1 3.31Å; D700-F816 WeakPolarHBondContact O-CE1 3.35Å; L702-F816 HydrophobicContact CD2-CE1 3.58Å; L702-F816 HydrophobicContact CD2-CZ 4.03Å; L702-F816 HydrophobicContact CG-CD1 4.49Å; L702-F816 HydrophobicContact CG-CE1 3.76Å; F816-A818 PolarHBondContact O-N 2.8Å; F816-M819 PolarHBondContact O-N 3.04Å; F816-M819 VanDerWaalsContact O-O 3.05Å; F816-P821 HydrophobicContact CB-CB 4.27Å; F816-P821 HydrophobicContact CB-CG 4.33Å; F816-P821 HydrophobicContact CD1-CB 3.48Å; F816-P821 VanDerWaalsContact CD1-CB 3.48Å; F816-P821 HydrophobicContact CD1-CG 4.28Å; F816-P821 HydrophobicContact CD2-CB 4.31Å; F816-P821 HydrophobicContact CD2-CG 4.29Å; F816-P821 HydrophobicContact CE1-CB 3.8Å; F816-P821 HydrophobicContact CG-CB 3.76Å; F816-P821 HydrophobicContact CG-CG 4.05Å; F816-P821 HydrophobicContact CZ-CB 4.32Å
817	W	84.7	Confident	90.7	Very high	129 Å²	129	48.3 Å²	48.3	49%	0.489	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	131.1	-172.8	-175.4	87.3	0	0	0	112.7	P248 R796 S815 M819	P248-W817 HydrophobicContact CG-CH2 4.46Å; P248-W817 HydrophobicContact CG-CZ3 4.11Å; R796-W817 VanDerWaalsContact CD-O 3.27Å; R796-W817 WeakPolarHBondContact CD-O 3.47Å; R796-W817 PolarHBondContact NH1-O 3.41Å; S815-W817 PolarHBondContact O-N 3.35Å; S815-W817 VanDerWaalsContact OG-CB 3.25Å; S815-W817 WeakPolarHBondContact OG-CB 3.37Å; S815-W817 PolarHBondContact OG-N 3.42Å; S815-W817 VanDerWaalsContact OG-N 3.17Å; W817-M819 PolarHBondContact O-N 2.82Å
818	A	85.2	Confident	91.5	Very high	77 Å²	77	44.9 Å²	44.9	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	30.5	-176.8	0	0	0	0	0	113.9	F816	F816-A818 PolarHBondContact O-N 2.8Å
819	M	89.1	Confident	92.1	Very high	18 Å²	18	40.1 Å²	40.1	9%	0.089	21%	0.209	C	C	.	.	S	Bend	trans	-138.4	141.4	180	176.6	170.3	78.8	0	0	108.2	L702 R796 P797 Y798 S815 F816 W817 P821 A824	L702-M819 HydrophobicContact CD1-CE 4.29Å; R796-M819 HydrophobicContact CB-SD 3.97Å; R796-M819 HydrophobicContact CG-CE 4.25Å; R796-M819 HydrophobicContact CG-SD 4.14Å; P797-M819 HydrophobicContact CG-SD 4.45Å; Y798-M819 HydrophobicContact CD2-SD 4.39Å; Y798-M819 HydrophobicContact CE2-CB 4.3Å; Y798-M819 HydrophobicContact CE2-CG 3.77Å; Y798-M819 HydrophobicContact CE2-SD 3.81Å; S815-M819 WeakPolarHBondContact O-CE 3.32Å; F816-M819 PolarHBondContact O-N 3.04Å; F816-M819 VanDerWaalsContact O-O 3.05Å; W817-M819 PolarHBondContact O-N 2.82Å; M819-P821 WeakPolarHBondContact O-CD 3.27Å; M819-A824 HydrophobicContact CE-CB 3.84Å; M819-A824 HydrophobicContact CG-CB 3.84Å; M819-A824 HydrophobicContact SD-CB 3.44Å; M819-A824 WeakPolarHBondContact SD-CB 3.49Å
820	D	93.3	Very high	92	Very high	84 Å²	84	41.4 Å²	41.4	45%	0.449	22%	0.215	S	C	.	.			trans	-78	106.9	164.2	175.6	-13.6	0	0	0	107.7	I822 K823 A824	D820-I822 VanDerWaalsContact C-N 3.28Å; D820-I822 PolarHBondContact O-N 2.93Å; D820-I822 PolarHBondContact OD1-N 3.42Å; D820-K823 HydrophobicContact CB-CB 3.85Å; D820-K823 VanDerWaalsContact CG-CB 3.47Å; D820-K823 PolarHBondContact O-N 2.93Å; D820-K823 PolarHBondContact OD1-N 3.32Å; D820-K823 WeakPolarHBondContact OD2-CB 3.46Å; D820-A824 WeakPolarHBondContact O-CB 3.49Å; D820-A824 PolarHBondContact O-N 3.49Å
821	P	94.8	Very high	90.7	Very high	18 Å²	18	44.4 Å²	44.4	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-28.8	-174.5	29.7	-36.4	0	0	0	112.3	V632 L702 F816 M819 Y825	V632-P821 HydrophobicContact CB-CG 4.43Å; V632-P821 HydrophobicContact CG1-CB 3.7Å; V632-P821 HydrophobicContact CG1-CG 3.5Å; V632-P821 HydrophobicContact CG2-CG 4.1Å; L702-P821 HydrophobicContact CD1-CB 4.33Å; L702-P821 VanDerWaalsContact CD1-O 3.29Å; L702-P821 WeakPolarHBondContact CD1-O 3.21Å; L702-P821 HydrophobicContact CD2-CB 4.36Å; F816-P821 HydrophobicContact CB-CB 4.27Å; F816-P821 HydrophobicContact CB-CG 4.33Å; F816-P821 HydrophobicContact CD1-CB 3.48Å; F816-P821 VanDerWaalsContact CD1-CB 3.48Å; F816-P821 HydrophobicContact CD1-CG 4.28Å; F816-P821 HydrophobicContact CD2-CB 4.31Å; F816-P821 HydrophobicContact CD2-CG 4.29Å; F816-P821 HydrophobicContact CE1-CB 3.8Å; F816-P821 HydrophobicContact CG-CB 3.76Å; F816-P821 HydrophobicContact CG-CG 4.05Å; F816-P821 HydrophobicContact CZ-CB 4.32Å; M819-P821 WeakPolarHBondContact O-CD 3.27Å; P821-Y825 WeakPolarHBondContact O-CB 3.49Å; P821-Y825 PolarHBondContact O-N 3.5Å
822	I	94.4	Very high	88.5	Confident	68 Å²	68	52 Å²	52	35%	0.349	27%	0.269	S	S	.	.	H	α-helix	trans	-71.1	-46.7	177.9	-63.8	176.3	0	0	0	109	V632 T636 D820 A824 Y825 H826	V632-I822 HydrophobicContact CG1-CG1 4.46Å; T636-I822 HydrophobicContact CG2-CG1 4.28Å; D820-I822 VanDerWaalsContact C-N 3.28Å; D820-I822 PolarHBondContact O-N 2.93Å; D820-I822 PolarHBondContact OD1-N 3.42Å; I822-A824 PolarHBondContact O-N 3.2Å; I822-Y825 WeakPolarHBondContact O-CB 3.47Å; I822-Y825 PolarHBondContact O-N 3.38Å; I822-H826 PolarHBondContact O-CD2 3.34Å; I822-H826 PolarHBondContact O-N 3.2Å
823	K	94.2	Very high	85.7	Confident	89 Å²	89	57.3 Å²	57.3	39%	0.387	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-45.2	175.3	-175.5	179.7	-178.3	-179.4	0	111.7	D820 Y825 H826 T827	D820-K823 HydrophobicContact CB-CB 3.85Å; D820-K823 VanDerWaalsContact CG-CB 3.47Å; D820-K823 PolarHBondContact O-N 2.93Å; D820-K823 PolarHBondContact OD1-N 3.32Å; D820-K823 WeakPolarHBondContact OD2-CB 3.46Å; K823-Y825 VanDerWaalsContact C-N 3.34Å; K823-H826 PolarHBondContact O-N 2.97Å; K823-T827 WeakPolarHBondContact O-CB 3.48Å; K823-T827 PolarHBondContact O-N 3.38Å; K823-T827 PolarHBondContact O-OG1 3.37Å
824	A	93.1	Very high	82.6	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.008	33%	0.332	C	S	.	.	H	α-helix	trans	-61.6	-43.8	178.4	0	0	0	0	0	111.4	L702 M819 D820 I822 H826 T827 Y828	L702-A824 HydrophobicContact CD1-CB 4.16Å; M819-A824 HydrophobicContact CE-CB 3.84Å; M819-A824 HydrophobicContact CG-CB 3.84Å; M819-A824 HydrophobicContact SD-CB 3.44Å; M819-A824 WeakPolarHBondContact SD-CB 3.49Å; D820-A824 WeakPolarHBondContact O-CB 3.49Å; D820-A824 PolarHBondContact O-N 3.49Å; I822-A824 PolarHBondContact O-N 3.2Å; A824-H826 PolarHBondContact O-N 3.41Å; A824-T827 PolarHBondContact O-N 3.21Å; A824-Y828 WeakPolarHBondContact O-CD2 3.32Å; A824-Y828 PolarHBondContact O-N 2.97Å
825	Y	94	Very high	79.5	Confident	35 Å²	35	63.8 Å²	63.8	14%	0.137	36%	0.356	C	S	.	.	I	π-helix	trans	-55.7	-51.6	174.6	-179.3	-109.6	0	0	0	111.7	T636 W637 L702 L703 P821 I822 K823 T827 L829 V830	T636-Y825 HydrophobicContact CG2-CD1 3.72Å; T636-Y825 HydrophobicContact CG2-CD2 4.49Å; T636-Y825 HydrophobicContact CG2-CE1 4.4Å; T636-Y825 HydrophobicContact CG2-CG 3.76Å; W637-Y825 HydrophobicContact CB-CE2 3.79Å; L702-Y825 HydrophobicContact CB-CD2 4.5Å; L703-Y825 WeakPolarHBondContact O-CE2 3.35Å; P821-Y825 WeakPolarHBondContact O-CB 3.49Å; P821-Y825 PolarHBondContact O-N 3.5Å; I822-Y825 WeakPolarHBondContact O-CB 3.47Å; I822-Y825 PolarHBondContact O-N 3.38Å; K823-Y825 VanDerWaalsContact C-N 3.34Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 2.86Å; Y825-L829 HydrophobicContact CD2-CB 3.8Å; Y825-L829 HydrophobicContact CD2-CD1 3.85Å; Y825-L829 HydrophobicContact CD2-CG 4.49Å; Y825-L829 HydrophobicContact CE2-CB 3.97Å; Y825-L829 HydrophobicContact CE2-CD1 4.36Å; Y825-L829 CarbonylContact O-C 3.23Å; Y825-L829 WeakPolarHBondContact O-CA 3.37Å; Y825-L829 WeakPolarHBondContact O-CB 3.31Å; Y825-L829 PolarHBondContact O-N 3.01Å; Y825-V830 HydrophobicContact CD1-CG2 3.67Å; Y825-V830 HydrophobicContact CE1-CG2 3.35Å; Y825-V830 HydrophobicContact CE2-CG2 4.48Å; Y825-V830 HydrophobicContact CG-CG2 4.39Å; Y825-V830 PolarHBondContact O-N 3.45Å
826	H	93	Very high	76.6	Confident	107 Å²	107	68.2 Å²	68.2	50%	0.495	38%	0.377	S	S	.	.	I	π-helix	trans	-67.2	-28.7	179.5	-73.5	-62.2	0	0	0	114.1	I822 K823 A824	I822-H826 PolarHBondContact O-CD2 3.34Å; I822-H826 PolarHBondContact O-N 3.2Å; K823-H826 PolarHBondContact O-N 2.97Å; A824-H826 PolarHBondContact O-N 3.41Å
827	T	91.7	Very high	73.7	Confident	72 Å²	72	74.3 Å²	74.3	44%	0.442	41%	0.411	S	S	.	.	I	π-helix	trans	-82.1	-38.1	-177.1	-54.6	0	0	0	0	112.6	K823 A824 Y825	K823-T827 WeakPolarHBondContact O-CB 3.48Å; K823-T827 PolarHBondContact O-N 3.38Å; K823-T827 PolarHBondContact O-OG1 3.37Å; A824-T827 PolarHBondContact O-N 3.21Å; Y825-T827 VanDerWaalsContact C-N 3.31Å; Y825-T827 PolarHBondContact O-N 2.86Å
828	Y	91.5	Very high	71.1	Confident	25 Å²	25	73.7 Å²	73.7	10%	0.098	42%	0.422	C	S	.	.	I	π-helix	trans	-116.9	-20.2	-168.7	-63.7	-85.3	0	0	0	114.6	P797 Y798 L805 F813 A824	P797-Y828 HydrophobicContact CB-CD1 3.89Å; P797-Y828 HydrophobicContact CB-CD2 3.7Å; P797-Y828 HydrophobicContact CB-CE1 3.74Å; P797-Y828 HydrophobicContact CB-CE2 3.56Å; P797-Y828 HydrophobicContact CB-CG 3.87Å; P797-Y828 HydrophobicContact CG-CD1 4.44Å; P797-Y828 HydrophobicContact CG-CD2 3.6Å; P797-Y828 HydrophobicContact CG-CE2 3.86Å; P797-Y828 HydrophobicContact CG-CG 3.93Å; Y798-Y828 AromaticContact CE1-CE2 3.84Å; Y798-Y828 HydrophobicContact CE1-CE2 3.84Å; Y798-Y828 WeakPolarHBondContact CE1-OH 3.41Å; L805-Y828 HydrophobicContact CD1-CD1 4.16Å; L805-Y828 HydrophobicContact CD1-CE1 3.87Å; F813-Y828 HydrophobicContact CE2-CG 4.3Å; A824-Y828 WeakPolarHBondContact O-CD2 3.32Å; A824-Y828 PolarHBondContact O-N 2.97Å
829	L	91.7	Very high	68.3	Low	1 Å²	1	75.1 Å²	75.1	1%	0.005	42%	0.423	C	S	.	.	I	π-helix	trans	-118.9	-23.4	-174.3	-67.8	173.5	0	0	0	113.1	L702 N704 T810 F813 Y825 T831	L702-L829 HydrophobicContact CB-CD1 3.44Å; L702-L829 VanDerWaalsContact CB-CD1 3.44Å; N704-L829 HydrophobicContact CB-CB 4.27Å; N704-L829 HydrophobicContact CB-CD2 4.13Å; N704-L829 PolarHBondContact ND2-O 2.85Å; T810-L829 HydrophobicContact CG2-CD2 3.91Å; F813-L829 HydrophobicContact CD2-CD1 4.09Å; F813-L829 HydrophobicContact CD2-CD2 4.01Å; F813-L829 HydrophobicContact CD2-CG 3.98Å; F813-L829 HydrophobicContact CE2-CD2 4.06Å; F813-L829 HydrophobicContact CE2-CG 4.22Å; Y825-L829 HydrophobicContact CD2-CB 3.8Å; Y825-L829 HydrophobicContact CD2-CD1 3.85Å; Y825-L829 HydrophobicContact CD2-CG 4.49Å; Y825-L829 HydrophobicContact CE2-CB 3.97Å; Y825-L829 HydrophobicContact CE2-CD1 4.36Å; Y825-L829 CarbonylContact O-C 3.23Å; Y825-L829 WeakPolarHBondContact O-CA 3.37Å; Y825-L829 WeakPolarHBondContact O-CB 3.31Å; Y825-L829 PolarHBondContact O-N 3.01Å; L829-T831 PolarHBondContact O-N 3Å
830	V	85.8	Confident	65.3	Low	54 Å²	54	82 Å²	82	33%	0.327	46%	0.46	S	S	.	.			trans	-89.4	101.4	169.7	-178.2	0	0	0	0	108.1	Y825 E832	Y825-V830 HydrophobicContact CD1-CG2 3.67Å; Y825-V830 HydrophobicContact CE1-CG2 3.35Å; Y825-V830 HydrophobicContact CE2-CG2 4.48Å; Y825-V830 HydrophobicContact CG-CG2 4.39Å; Y825-V830 PolarHBondContact O-N 3.45Å; V830-E832 PolarHBondContact O-N 2.99Å
831	T	64.4	Low	62.1	Low	64 Å²	64	86.6 Å²	86.6	39%	0.393	48%	0.478	S	S	.	.			trans	-68.9	112.4	161.4	-11.8	0	0	0	0	106.1	L829 S833	L829-T831 PolarHBondContact O-N 3Å; T831-S833 PolarHBondContact O-N 3.04Å; T831-S833 VanDerWaalsContact O-N 3.12Å
832	E	49.4	Very low	58.8	Low	160 Å²	160	94 Å²	94	75%	0.748	51%	0.511	S	S	*	.			trans	-52	125.4	156.9	-72.9	-173.1	171.5	0	0	105.1	V830 T834	V830-E832 PolarHBondContact O-N 2.99Å; E832-T834 PolarHBondContact O-N 3.15Å
833	S	37.2	Very low	55.5	Low	112 Å²	112	98.9 Å²	98.9	78%	0.783	53%	0.533	S	S	*	.			trans	-58	95.6	164.5	56.4	0	0	0	0	104.9	T831 A835	T831-S833 PolarHBondContact O-N 3.04Å; T831-S833 VanDerWaalsContact O-N 3.12Å; S833-A835 PolarHBondContact O-N 3.03Å
834	T	33.1	Very low	52.3	Low	91 Å²	91	102.8 Å²	102.8	56%	0.558	56%	0.557	S	S	*	*			trans	-63.4	93.7	173.8	39	0	0	0	0	104.7	E832 N836 D837	E832-T834 PolarHBondContact O-N 3.15Å; T834-N836 PolarHBondContact O-N 3.43Å; T834-D837 PolarHBondContact O-N 3.25Å
835	A	29.2	Very low	49.1	Very low	77 Å²	77	111.6 Å²	111.6	64%	0.636	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	21	164	0	0	0	0	0	111.6	S833 T838	S833-A835 PolarHBondContact O-N 3.03Å; A835-T838 PolarHBondContact O-OG1 3Å
836	N	27.4	Very low	46	Very low	121 Å²	121	114.9 Å²	114.9	65%	0.647	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.9	8.4	-176.7	-81.7	-1.9	0	0	0	113.4	T834 T838 V839	T834-N836 PolarHBondContact O-N 3.43Å; N836-T838 PolarHBondContact O-N 2.94Å; N836-V839 PolarHBondContact O-N 3.04Å
837	D	30.4	Very low	42.9	Very low	157 Å²	157	117.9 Å²	117.9	84%	0.84	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	5.5	155	-79.4	-4.2	0	0	0	112	T834	T834-D837 PolarHBondContact O-N 3.25Å
838	T	29.4	Very low	39.9	Very low	117 Å²	117	122.8 Å²	122.8	72%	0.718	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.3	54.1	160.7	52.9	0	0	0	0	112.2	A835 N836	A835-T838 PolarHBondContact O-OG1 3Å; N836-T838 PolarHBondContact O-N 2.94Å
839	V	26.9	Very low	36.8	Very low	107 Å²	107	126 Å²	126	65%	0.648	69%	0.69	S	S	*	*			trans	-156.4	88.8	147.7	-176.3	0	0	0	0	109.5	N836	N836-V839 PolarHBondContact O-N 3.04Å
840	N	27.1	Very low	33.7	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	73%	0.727	S	S	*	*			trans	-163.2	49.1	131.9	-95.4	-16.1	0	0	0	108.1	H842	N840-H842 PolarHBondContact O-N 2.9Å
841	E	24.9	Very low	30.8	Very low	180 Å²	180	136.8 Å²	136.8	84%	0.841	74%	0.743	S	S	*	*			trans	-82	93.5	153.4	-70.7	-177.2	165.5	0	0	105.8
842	H	25.4	Very low	28.9	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.806	76%	0.76	S	S	*	*			trans	-177.1	117.6	143.8	-92.2	-58.9	0	0	0	110.3	N840	N840-H842 PolarHBondContact O-N 2.9Å
843	E	24.8	Very low	27.7	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	75%	0.754	S	S	*	*			trans	79.3	79.8	151.6	-59.1	-179.3	177.9	0	0	118.2
844	N	27.2	Very low	27.1	Very low	170 Å²	170	141 Å²	141	91%	0.909	76%	0.762	S	S	*	*				-157.3	132.9	110.3	-91.4	-31.2	0	0	0	110.5
845	E	27	Very low	26.8	Very low	186 Å²	186	141.7 Å²	141.7	87%	0.869	77%	0.771	S	S	*	*			trans	-58.8	150.4	-175.9	-70.4	170.3	133.3	0	0	113.6
846	S	27.8	Very low	26.6	Very low	104 Å²	104	148.2 Å²	148.2	73%	0.727	79%	0.785	S	S	*	*			trans	59.7	87.6	162.2	65.4	0	0	0	0	117.7
847	D	29.5	Very low	26.6	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	80%	0.795	S	S	*	*				-139.1	103.2	126.1	-98.4	-28.8	0	0	0	107.7	S849	D847-S849 PolarHBondContact O-N 3.02Å
848	E	27.9	Very low	26.4	Very low	176 Å²	176	142.6 Å²	142.6	82%	0.822	79%	0.793	S	S	*	*			trans	-53.3	132.4	177	-72.6	177.2	146.3	0	0	109.8	I850	E848-I850 PolarHBondContact O-N 3Å
849	S	26.5	Very low	26.4	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	80%	0.795	S	S	*	*			trans	-36.4	110	160	51.7	0	0	0	0	110.7	D847 I851	D847-S849 PolarHBondContact O-N 3.02Å; S849-I851 PolarHBondContact O-N 3.11Å
850	I	27.3	Very low	26.4	Very low	152 Å²	152	143.4 Å²	143.4	78%	0.779	80%	0.803	S	S	*	*			trans	-71.8	74.1	165.3	-60.7	169	0	0	0	107	E848 I852	E848-I850 PolarHBondContact O-N 3Å; I850-I852 HydrophobicContact CG2-CD1 4.23Å; I850-I852 HydrophobicContact CG2-CG1 3.58Å; I850-I852 PolarHBondContact O-N 3.38Å
851	I	23.5	Very low	26.6	Very low	129 Å²	129	140.4 Å²	140.4	66%	0.662	80%	0.8	S	S	*	*			trans	-71.4	103	154.5	-61.6	178.1	0	0	0	104	S849 P853	S849-I851 PolarHBondContact O-N 3.11Å; I851-P853 WeakPolarHBondContact O-CD 3.13Å
852	I	25.8	Very low	26.7	Very low	144 Å²	144	140.1 Å²	140.1	74%	0.738	80%	0.799	S	S	*	*			trans	-75.6	106.4	167	-57.9	177.6	0	0	0	106.3	I850 L854	I850-I852 HydrophobicContact CG2-CD1 4.23Å; I850-I852 HydrophobicContact CG2-CG1 3.58Å; I850-I852 PolarHBondContact O-N 3.38Å; I852-L854 PolarHBondContact O-N 3.42Å
853	P	24	Very low	27	Very low	96 Å²	96	140.2 Å²	140.2	62%	0.623	80%	0.799	S	S	*	*			trans	-80.1	121.6	178.1	-3	24.3	0	0	0	107.9	I851 S855	I851-P853 WeakPolarHBondContact O-CD 3.13Å; P853-S855 VanDerWaalsContact C-N 3.29Å; P853-S855 PolarHBondContact O-N 3.13Å
854	L	23.6	Very low	27	Very low	185 Å²	185	139.4 Å²	139.4	97%	0.969	80%	0.801	S	S	*	*			trans	-64.5	87.4	166.6	-80	157.5	0	0	0	109.2	I852	I852-L854 PolarHBondContact O-N 3.42Å
855	S	26.9	Very low	27	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	79%	0.793	S	S	*	*			trans	-123.6	130.7	167.2	86.1	0	0	0	0	111.3	P853	P853-S855 VanDerWaalsContact C-N 3.29Å; P853-S855 PolarHBondContact O-N 3.13Å
856	K	25.8	Very low	26.9	Very low	213 Å²	213	137.3 Å²	137.3	93%	0.926	79%	0.794	S	S	*	*			trans	-59.1	133	-171.3	-67.4	166	172.5	174.6	0	113
857	G	26.1	Very low	27	Very low	84 Å²	84	143.3 Å²	143.3	87%	0.866	82%	0.816	S	S	*	*			trans	90.8	115.9	144.7	0	0	0	0	0	116.8
858	G	27.1	Very low	26.9	Very low	76 Å²	76	142 Å²	142	78%	0.784	81%	0.812	S	S	*	*			trans	136.2	105.1	153.8	0	0	0	0	0	115.8
859	S	29.8	Very low	26.8	Very low	110 Å²	110	140.2 Å²	140.2	77%	0.769	81%	0.811	S	S	*	*			trans	69.6	100.2	141.6	-155	0	0	0	0	120.3
860	T	27.2	Very low	26.8	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	82%	0.82	S	S	*	*			trans	40.3	99.1	132.8	60.7	0	0	0	0	118.9
861	A	31.2	Very low	26.8	Very low	99 Å²	99	142.3 Å²	142.3	82%	0.818	82%	0.823	S	S	*	*			trans	-131.5	104	146.3	0	0	0	0	0	107.8	H863	A861-H863 PolarHBondContact O-N 2.91Å
862	E	25.4	Very low	27	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	83%	0.833	S	S	*	*			trans	-63.6	110	170.5	-74.2	171.2	154.7	0	0	109.3
863	H	31.8	Very low	27.1	Very low	175 Å²	175	143.1 Å²	143.1	81%	0.81	84%	0.839	S	S	*	*			trans	-138.1	82.7	151.9	-84.1	-47.8	0	0	0	107.4	A861 V865	A861-H863 PolarHBondContact O-N 2.91Å; H863-V865 PolarHBondContact O-N 3.48Å
864	D	26	Very low	27.3	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	85%	0.854	S	S	*	*			trans	-61.1	100.9	164	-73.9	-35.2	0	0	0	108.3
865	V	26	Very low	27.6	Very low	124 Å²	124	143.5 Å²	143.5	75%	0.752	85%	0.846	S	S	*	*			trans	-104.1	91.7	154.3	-178.1	0	0	0	0	104.7	H863 L867	H863-V865 PolarHBondContact O-N 3.48Å; V865-L867 PolarHBondContact O-N 2.9Å
866	E	25.5	Very low	27.7	Very low	189 Å²	189	146.6 Å²	146.6	88%	0.883	85%	0.854	S	S	*	*			trans	-57.4	124.5	160.7	-84.3	-176.6	146.2	0	0	107.8
867	L	30	Very low	27.8	Very low	229 Å²	229	140.5 Å²	140.5	100%	1.199	85%	0.848	S	S	*	*			trans	-72.7	0	174	-97.8	157.1	0	0	0	111.3	V865	V865-L867 PolarHBondContact O-N 2.9Å

Retrieved 867 of 867 residues in 467.3 ms (Link to these results)

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