A0A077Z0M8_TRITR Loading...

Ribosomal L7Ae domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 673 aa.

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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	44.6	Very low	37.6	Very low	207 Å²	207	122.1 Å²	122.1	100%	1.02	64%	0.636	S	S	*	*				0	-47.7	0	-77.4	-175.2	59.3	0	0	113	L3 F4 A5	M1-L3 PolarHBondContact O-N 3.39Å; M1-F4 WeakPolarHBondContact O-CB 3.19Å; M1-F4 PolarHBondContact O-N 3.46Å; M1-A5 PolarHBondContact O-N 2.78Å; M1-A5 VanDerWaalsContact O-N 3.12Å
2	W	42.6	Very low	36.9	Very low	225 Å²	225	121.2 Å²	121.2	85%	0.852	64%	0.64	S	S	*	*	H	α-helix	trans	-62.7	-36.7	176.5	-81.1	66.5	0	0	0	114.2	F4 A5 L6	W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 3.07Å; W2-A5 PolarHBondContact O-N 2.82Å; W2-L6 PolarHBondContact O-N 3.43Å
3	L	42.1	Very low	36.2	Very low	144 Å²	144	117.9 Å²	117.9	75%	0.754	64%	0.641	S	S	*	*	H	α-helix	trans	-65.1	-27	171.1	-84	155.4	0	0	0	113.6	M1 M7	M1-L3 PolarHBondContact O-N 3.39Å; L3-M7 WeakPolarHBondContact O-CG 3.31Å; L3-M7 PolarHBondContact O-N 3.28Å; L3-M7 VanDerWaalsContact O-N 3.1Å
4	F	37.1	Very low	35.4	Very low	160 Å²	160	119.4 Å²	119.4	70%	0.702	65%	0.647	S	S	*	*	H	α-helix	trans	-77.9	-35.1	176.7	-147.2	-90.7	0	0	0	111.1	M1 W2 M7 C8	M1-F4 WeakPolarHBondContact O-CB 3.19Å; M1-F4 PolarHBondContact O-N 3.46Å; W2-F4 VanDerWaalsContact C-N 3.26Å; W2-F4 PolarHBondContact O-N 3.07Å; F4-M7 PolarHBondContact O-N 2.93Å; F4-C8 PolarHBondContact O-N 2.96Å; F4-C8 VanDerWaalsContact O-N 3.07Å; F4-C8 PolarHBondContact O-SG 3.43Å; F4-C8 VanDerWaalsContact O-SG 3.4Å
5	A	39.3	Very low	34.6	Very low	53 Å²	53	123.6 Å²	123.6	44%	0.438	66%	0.657	S	S	.	*	H	α-helix	trans	-67.6	-39.7	173.5	0	0	0	0	0	112.1	M1 W2 C8 I9	M1-A5 PolarHBondContact O-N 2.78Å; M1-A5 VanDerWaalsContact O-N 3.12Å; W2-A5 PolarHBondContact O-N 2.82Å; A5-C8 PolarHBondContact O-N 3.48Å; A5-I9 WeakPolarHBondContact O-CG1 3.24Å; A5-I9 PolarHBondContact O-N 3.05Å
6	L	41.9	Very low	34.1	Very low	110 Å²	110	121.8 Å²	121.8	58%	0.576	66%	0.664	S	S	*	*	H	α-helix	trans	-68.4	-35	174.4	-83.9	161.3	0	0	0	112.6	W2 C8 I9 A10	W2-L6 PolarHBondContact O-N 3.43Å; L6-C8 VanDerWaalsContact C-N 3.32Å; L6-C8 PolarHBondContact O-N 3.23Å; L6-I9 PolarHBondContact O-N 3.3Å; L6-A10 VanDerWaalsContact O-CB 3.25Å; L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 3.25Å
7	M	36.4	Very low	33.4	Very low	130 Å²	130	126.6 Å²	126.6	64%	0.64	68%	0.681	S	S	*	*	H	α-helix	trans	-63.9	-36.1	170.6	-79.9	-74.8	-178.4	0	0	112.1	L3 F4 C11	L3-M7 WeakPolarHBondContact O-CG 3.31Å; L3-M7 PolarHBondContact O-N 3.28Å; L3-M7 VanDerWaalsContact O-N 3.1Å; F4-M7 PolarHBondContact O-N 2.93Å; M7-C11 WeakPolarHBondContact O-CB 3.4Å; M7-C11 PolarHBondContact O-N 3.26Å; M7-C11 PolarHBondContact O-SG 3.16Å
8	C	34.1	Very low	32.8	Very low	73 Å²	73	122.4 Å²	122.4	49%	0.493	67%	0.673	S	S	.	*	H	α-helix	trans	-66.9	-40.5	173.7	-70.9	0	0	0	0	112.5	F4 A5 L6 T12	F4-C8 PolarHBondContact O-N 2.96Å; F4-C8 VanDerWaalsContact O-N 3.07Å; F4-C8 PolarHBondContact O-SG 3.43Å; F4-C8 VanDerWaalsContact O-SG 3.4Å; A5-C8 PolarHBondContact O-N 3.48Å; L6-C8 VanDerWaalsContact C-N 3.32Å; L6-C8 PolarHBondContact O-N 3.23Å; C8-T12 PolarHBondContact O-N 2.92Å; C8-T12 PolarHBondContact O-OG1 2.95Å
9	I	37	Very low	32.2	Very low	115 Å²	115	125 Å²	125	59%	0.59	69%	0.686	S	S	*	*	H	α-helix	trans	-74.5	-34.8	179.4	-60.9	167.5	0	0	0	111.2	A5 L6 T12	A5-I9 WeakPolarHBondContact O-CG1 3.24Å; A5-I9 PolarHBondContact O-N 3.05Å; L6-I9 PolarHBondContact O-N 3.3Å; I9-T12 WeakPolarHBondContact CA-OG1 3.43Å; I9-T12 PolarHBondContact O-N 3.2Å; I9-T12 PolarHBondContact O-OG1 3.42Å
10	A	31.1	Very low	31.6	Very low	51 Å²	51	124.5 Å²	124.5	42%	0.421	69%	0.686	S	S	.	*	H	α-helix	trans	-72.4	-34.1	173.9	0	0	0	0	0	112.3	L6 T12 A13 L14	L6-A10 VanDerWaalsContact O-CB 3.25Å; L6-A10 WeakPolarHBondContact O-CB 3.44Å; L6-A10 PolarHBondContact O-N 3.25Å; A10-T12 VanDerWaalsContact C-N 3.29Å; A10-T12 PolarHBondContact O-N 3.41Å; A10-A13 WeakPolarHBondContact O-CB 3.02Å; A10-A13 PolarHBondContact O-N 3.38Å; A10-L14 PolarHBondContact O-N 2.9Å
11	C	27.8	Very low	31.2	Very low	75 Å²	75	125.2 Å²	125.2	51%	0.507	69%	0.688	S	S	.	*	H	α-helix	trans	-67.1	-28.9	172.5	-81.3	0	0	0	0	112.5	M7 A13	M7-C11 WeakPolarHBondContact O-CB 3.4Å; M7-C11 PolarHBondContact O-N 3.26Å; M7-C11 PolarHBondContact O-SG 3.16Å; C11-A13 PolarHBondContact O-N 3.09Å
12	T	28.8	Very low	30.1	Very low	111 Å²	111	120.5 Å²	120.5	68%	0.681	68%	0.675	S	S	*	*	H	α-helix	trans	-69	-16.9	169.6	47.3	0	0	0	0	113.3	C8 I9 A10	C8-T12 PolarHBondContact O-N 2.92Å; C8-T12 PolarHBondContact O-OG1 2.95Å; I9-T12 WeakPolarHBondContact CA-OG1 3.43Å; I9-T12 PolarHBondContact O-N 3.2Å; I9-T12 PolarHBondContact O-OG1 3.42Å; A10-T12 VanDerWaalsContact C-N 3.29Å; A10-T12 PolarHBondContact O-N 3.41Å
13	A	27.7	Very low	29.1	Very low	79 Å²	79	115.6 Å²	115.6	65%	0.653	67%	0.672	S	S	*	*	H	α-helix	trans	-94.1	-10	-178.8	0	0	0	0	0	114.6	A10 C11	A10-A13 WeakPolarHBondContact O-CB 3.02Å; A10-A13 PolarHBondContact O-N 3.38Å; C11-A13 PolarHBondContact O-N 3.09Å
14	L	25.1	Very low	28.2	Very low	139 Å²	139	118.1 Å²	118.1	73%	0.728	68%	0.677	S	S	*	*	H	α-helix	trans	-127.1	3.1	-173.1	-81.8	160.3	0	0	0	115.8	A10	A10-L14 PolarHBondContact O-N 2.9Å
15	F	24	Very low	27.4	Very low	182 Å²	182	119 Å²	119	80%	0.798	68%	0.683	S	S	*	*			trans	-142.2	70.4	179	-75.2	-80.5	0	0	0	112.5
16	A	25.3	Very low	26.6	Very low	94 Å²	94	117.8 Å²	117.8	78%	0.777	68%	0.675	S	S	*	*			trans	-138.4	34.4	165.3	0	0	0	0	0	111.9	G18	A16-G18 VanDerWaalsContact C-N 3.29Å
17	E	23.5	Very low	25.9	Very low	204 Å²	204	120.5 Å²	120.5	95%	0.953	69%	0.69	S	S	*	*			trans	-98.2	59.5	161.7	-73.4	-175.5	168	0	0	108.8
18	G	21.4	Very low	25.4	Very low	51 Å²	51	121 Å²	121	53%	0.526	70%	0.696	S	S	.	*	S	Bend	trans	-128.9	99.1	170.3	0	0	0	0	0	105.9	A16 V20	A16-G18 VanDerWaalsContact C-N 3.29Å; G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 WeakPolarHBondContact O-CG2 3.23Å; G18-V20 PolarHBondContact O-N 3.05Å
19	D	21.6	Very low	25	Very low	172 Å²	172	124.5 Å²	124.5	92%	0.92	71%	0.71	S	S	*	*			trans	-52.9	99.7	174	-77.7	-39	0	0	0	108.3	L21	D19-L21 PolarHBondContact O-N 3.02Å
20	V	21.3	Very low	24.3	Very low	114 Å²	114	126.6 Å²	126.6	69%	0.691	72%	0.721	S	S	*	*			trans	-65.3	107.9	176.7	177.7	0	0	0	0	105	G18 C22	G18-V20 VanDerWaalsContact C-N 3.29Å; G18-V20 WeakPolarHBondContact O-CG2 3.23Å; G18-V20 PolarHBondContact O-N 3.05Å; V20-C22 PolarHBondContact O-N 3.22Å; V20-C22 PolarHBondContact O-SG 3.35Å; V20-C22 VanDerWaalsContact O-SG 3.41Å
21	L	22.1	Very low	23.9	Very low	140 Å²	140	129.4 Å²	129.4	73%	0.733	73%	0.734	S	S	*	*			trans	-52.2	98.7	157.9	-98.3	151.9	0	0	0	106.3	D19 P23	D19-L21 PolarHBondContact O-N 3.02Å; L21-P23 WeakPolarHBondContact O-CD 3.41Å
22	C	21.4	Very low	23.7	Very low	109 Å²	109	129.3 Å²	129.3	74%	0.736	75%	0.746	S	S	*	*			trans	-72.1	106.8	180	-72.8	0	0	0	0	108.5	V20 F24	V20-C22 PolarHBondContact O-N 3.22Å; V20-C22 PolarHBondContact O-SG 3.35Å; V20-C22 VanDerWaalsContact O-SG 3.41Å; C22-F24 PolarHBondContact O-N 2.87Å; C22-F24 VanDerWaalsContact O-N 3.15Å
23	P	21.6	Very low	23.4	Very low	121 Å²	121	132.3 Å²	132.3	79%	0.786	75%	0.75	S	S	*	*			trans	-68.3	112.3	166.1	30.5	-31.7	0	0	0	107.3	L21 Q25	L21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-Q25 PolarHBondContact O-N 3.11Å
24	F	22.8	Very low	23.2	Very low	197 Å²	197	133.7 Å²	133.7	86%	0.864	75%	0.746	S	S	*	*			trans	-82.7	111.2	165.9	-153.7	-93	0	0	0	108.7	C22 G26	C22-F24 PolarHBondContact O-N 2.87Å; C22-F24 VanDerWaalsContact O-N 3.15Å; F24-G26 PolarHBondContact O-N 2.68Å; F24-G26 VanDerWaalsContact O-N 3.11Å
25	Q	21.7	Very low	23.1	Very low	180 Å²	180	133 Å²	133	84%	0.841	74%	0.742	S	S	*	*			trans	-82.4	72	168.9	-164.4	174.1	2.3	0	0	107.7	P23	P23-Q25 PolarHBondContact O-N 3.11Å
26	G	22.9	Very low	23.2	Very low	26 Å²	26	126.2 Å²	126.2	27%	0.268	72%	0.716	S	S	.	*			trans	-73.3	137.9	167.9	0	0	0	0	0	108.6	F24 N28 N29	F24-G26 PolarHBondContact O-N 2.68Å; F24-G26 VanDerWaalsContact O-N 3.11Å; G26-N28 PolarHBondContact O-N 3.35Å; G26-N29 PolarHBondContact O-N 3.22Å
27	D	25.9	Very low	23.4	Very low	167 Å²	167	130.8 Å²	130.8	89%	0.893	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-8.8	-173	-75.9	-35.7	0	0	0	115.7
28	N	26.3	Very low	23.8	Very low	141 Å²	141	124.8 Å²	124.8	75%	0.754	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.1	16.8	-179.7	-66.8	-36.5	0	0	0	115.7	G26 I30	G26-N28 PolarHBondContact O-N 3.35Å; N28-I30 VanDerWaalsContact C-N 3.31Å; N28-I30 PolarHBondContact O-N 3.35Å; N28-I30 VanDerWaalsContact O-N 3.08Å
29	N	26.5	Very low	24.3	Very low	147 Å²	147	128.7 Å²	128.7	79%	0.786	71%	0.711	S	S	*	*			trans	56.3	27.4	164.8	-90.2	-19.5	0	0	0	117.4	G26 P31	G26-N29 PolarHBondContact O-N 3.22Å; N29-P31 WeakPolarHBondContact O-CD 3.11Å
30	I	22.3	Very low	24.5	Very low	159 Å²	159	126.9 Å²	126.9	82%	0.815	70%	0.696	S	S	*	*			trans	-111.2	102	174.9	-56.5	170.4	0	0	0	110.1	N28	N28-I30 VanDerWaalsContact C-N 3.31Å; N28-I30 PolarHBondContact O-N 3.35Å; N28-I30 VanDerWaalsContact O-N 3.08Å
31	P	21.9	Very low	24.7	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	70%	0.695	S	S	*	*			trans	-75.2	133.2	171.4	28.5	-30.8	0	0	0	110.7	N29	N29-P31 WeakPolarHBondContact O-CD 3.11Å
32	G	22.7	Very low	24.9	Very low	73 Å²	73	122.5 Å²	122.5	75%	0.753	68%	0.676	S	S	*	*			trans	-132.9	142	174.1	0	0	0	0	0	111
33	F	24.3	Very low	25.2	Very low	175 Å²	175	121.4 Å²	121.4	77%	0.768	67%	0.666	S	S	*	*			trans	-115.6	149.6	-179.9	-58.9	-88	0	0	0	110.1
34	L	23.3	Very low	25.6	Very low	107 Å²	107	121 Å²	121	56%	0.56	66%	0.656	S	S	*	*			trans	-122.9	124.2	170.1	-87.8	153.7	0	0	0	108.1	I44	L34-I44 HydrophobicContact CD1-CD1 4.18Å; L34-I44 HydrophobicContact CD1-CG1 4.43Å
35	L	23.4	Very low	25.8	Very low	125 Å²	125	115.7 Å²	115.7	65%	0.654	64%	0.643	S	S	*	*			trans	-105.1	133.9	173.8	-85.8	152.7	0	0	0	108.6
36	T	25.9	Very low	26.1	Very low	40 Å²	40	115.5 Å²	115.5	25%	0.245	64%	0.64	C	S	.	*			trans	-92.4	165.8	170.3	63.4	0	0	0	0	110.6	S38 N39 E40 I42	T36-S38 PolarHBondContact O-N 3.11Å; T36-S38 PolarHBondContact OG1-OG 2.6Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; T36-N39 PolarHBondContact O-N 3Å; T36-E40 PolarHBondContact OG1-O 3.29Å; T36-I42 HydrophobicContact CG2-CD1 3.9Å; T36-I42 HydrophobicContact CG2-CG1 3.98Å
37	E	28.6	Very low	26.5	Very low	189 Å²	189	116.2 Å²	116.2	88%	0.883	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	-22.8	177	-76.7	-170.4	163.1	0	0	113.4	N39	E37-N39 PolarHBondContact O-N 3.27Å
38	S	33.3	Very low	26.5	Very low	78 Å²	78	112.1 Å²	112.1	55%	0.545	62%	0.616	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.7	2.8	173.5	60.6	0	0	0	0	113.5	T36 E40	T36-S38 PolarHBondContact O-N 3.11Å; T36-S38 PolarHBondContact OG1-OG 2.6Å; T36-S38 VanDerWaalsContact OG1-OG 3.11Å; S38-E40 PolarHBondContact O-N 2.95Å; S38-E40 VanDerWaalsContact O-N 3.16Å
39	N	30	Very low	26.6	Very low	134 Å²	134	109.3 Å²	109.3	72%	0.717	60%	0.604	S	S	*	*	S	Bend	trans	56.8	22.1	-173.2	-85.2	-26.3	0	0	0	113.6	T36 E37	T36-N39 PolarHBondContact O-N 3Å; E37-N39 PolarHBondContact O-N 3.27Å
40	E	27.6	Very low	26.9	Very low	133 Å²	133	112 Å²	112	62%	0.621	61%	0.612	S	S	*	*			trans	-102.6	124.9	173.7	-68.3	-168.6	160.2	0	0	110.5	T36 S38 I42	T36-E40 PolarHBondContact OG1-O 3.29Å; S38-E40 PolarHBondContact O-N 2.95Å; S38-E40 VanDerWaalsContact O-N 3.16Å; E40-I42 PolarHBondContact O-N 2.76Å
41	C	25.7	Very low	27.3	Very low	98 Å²	98	110.5 Å²	110.5	66%	0.662	61%	0.605	S	S	*	*			trans	-68.9	99	172.4	-77.1	0	0	0	0	109.3	T43	C41-T43 PolarHBondContact O-N 3.15Å
42	I	25.8	Very low	27.8	Very low	65 Å²	65	114.4 Å²	114.4	33%	0.333	61%	0.611	S	S	.	*			trans	-82.6	113.7	168.1	-49.7	-178	0	0	0	107.5	T36 E40 I44 K46 V47	T36-I42 HydrophobicContact CG2-CD1 3.9Å; T36-I42 HydrophobicContact CG2-CG1 3.98Å; E40-I42 PolarHBondContact O-N 2.76Å; I42-I44 PolarHBondContact O-N 3.23Å; I42-K46 HydrophobicContact CG2-CB 3.73Å; I42-V47 HydrophobicContact CG2-CG2 3.57Å
43	T	28.1	Very low	28.1	Very low	85 Å²	85	112.8 Å²	112.8	52%	0.521	59%	0.585	S	S	.	*			trans	-57.4	135.8	166.3	27.5	0	0	0	0	108.8	C41 S45 K46	C41-T43 PolarHBondContact O-N 3.15Å; T43-S45 WeakPolarHBondContact CB-OG 3.33Å; T43-S45 PolarHBondContact O-N 2.96Å; T43-K46 PolarHBondContact O-N 3.36Å
44	I	28	Very low	28.6	Very low	114 Å²	114	106.5 Å²	106.5	59%	0.585	56%	0.561	S	S	*	*	H	α-helix	trans	-54.1	-26.8	178	-63.3	173.6	0	0	0	110.9	L34 I42 K46 V47 I48	L34-I44 HydrophobicContact CD1-CD1 4.18Å; L34-I44 HydrophobicContact CD1-CG1 4.43Å; I42-I44 PolarHBondContact O-N 3.23Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 3.38Å; I44-V47 PolarHBondContact O-N 2.99Å; I44-I48 HydrophobicContact CG2-CD1 3.82Å; I44-I48 HydrophobicContact CG2-CG1 4.4Å; I44-I48 WeakPolarHBondContact O-CD1 2.94Å; I44-I48 VanDerWaalsContact O-CG1 3.32Å; I44-I48 WeakPolarHBondContact O-CG1 3.43Å; I44-I48 PolarHBondContact O-N 3.02Å
45	S	27.3	Very low	29.3	Very low	85 Å²	85	105.4 Å²	105.4	59%	0.594	56%	0.556	S	S	*	*	H	α-helix	trans	-64.5	-25.6	173.2	65.2	0	0	0	0	115.3	T43 V47	T43-S45 WeakPolarHBondContact CB-OG 3.33Å; T43-S45 PolarHBondContact O-N 2.96Å; S45-V47 VanDerWaalsContact C-N 3.33Å
46	K	28.7	Very low	29.9	Very low	176 Å²	176	101.9 Å²	101.9	77%	0.765	54%	0.538	S	S	*	.	H	α-helix	trans	-79.5	-17.6	175.7	-104.8	-176.2	177.8	178.5	0	113.1	I42 T43 I44	I42-K46 HydrophobicContact CG2-CB 3.73Å; T43-K46 PolarHBondContact O-N 3.36Å; I44-K46 VanDerWaalsContact C-N 3.33Å; I44-K46 PolarHBondContact O-N 3.38Å
47	V	30.1	Very low	30.3	Very low	40 Å²	40	103 Å²	103	24%	0.242	54%	0.54	C	S	.	.	H	α-helix	trans	-91.4	-22	178.8	-176.6	0	0	0	0	111.2	I42 I44 S45 T49 V54 V59	I42-V47 HydrophobicContact CG2-CG2 3.57Å; I44-V47 PolarHBondContact O-N 2.99Å; S45-V47 VanDerWaalsContact C-N 3.33Å; V47-T49 PolarHBondContact O-N 3.48Å; V47-V54 HydrophobicContact CG1-CB 4.39Å; V47-V54 HydrophobicContact CG1-CG1 3.47Å; V47-V54 VanDerWaalsContact CG1-CG1 3.47Å; V47-V54 HydrophobicContact CG1-CG2 4.18Å; V47-V59 HydrophobicContact CG1-CG2 3.97Å
48	I	26.1	Very low	30.8	Very low	81 Å²	81	102.7 Å²	102.7	42%	0.415	54%	0.535	S	S	.	.	S	Bend	trans	-86.6	106.5	174.7	-60.7	164.4	0	0	0	106.8	I44	I44-I48 HydrophobicContact CG2-CD1 3.82Å; I44-I48 HydrophobicContact CG2-CG1 4.4Å; I44-I48 WeakPolarHBondContact O-CD1 2.94Å; I44-I48 VanDerWaalsContact O-CG1 3.32Å; I44-I48 WeakPolarHBondContact O-CG1 3.43Å; I44-I48 PolarHBondContact O-N 3.02Å
49	T	28.7	Very low	30.9	Very low	83 Å²	83	101.6 Å²	101.6	51%	0.509	53%	0.526	S	S	.	.			trans	-65.3	160.1	165.9	40.2	0	0	0	0	109.8	V47 D51 D53	V47-T49 PolarHBondContact O-N 3.48Å; T49-D51 CarbonylContact C-O 3.5Å; T49-D51 VanDerWaalsContact C-O 3.24Å; T49-D51 CarbonylContact O-C 3.42Å; T49-D51 PolarHBondContact O-N 2.97Å; T49-D51 PolarHBondContact OG1-O 3.47Å; T49-D53 PolarHBondContact OG1-O 2.98Å
50	E	33.8	Very low	31.1	Very low	203 Å²	203	100.9 Å²	100.9	95%	0.949	51%	0.514	S	S	*	.	S	Bend	trans	-55.2	-27.9	-179	-73.1	-177.2	150.9	0	0	112.3
51	D	30.5	Very low	31.6	Very low	127 Å²	127	96.1 Å²	96.1	68%	0.679	50%	0.5	S	S	*	.	S	Bend	trans	-85.9	120.2	158.4	-60.6	-42.9	0	0	0	108.5	T49 D53	T49-D51 CarbonylContact C-O 3.5Å; T49-D51 VanDerWaalsContact C-O 3.24Å; T49-D51 CarbonylContact O-C 3.42Å; T49-D51 PolarHBondContact O-N 2.97Å; T49-D51 PolarHBondContact OG1-O 3.47Å; D51-D53 PolarHBondContact O-N 3.31Å
52	K	31.2	Very low	32.1	Very low	191 Å²	191	98.9 Å²	98.9	83%	0.83	51%	0.508	S	S	*	.	S	Bend	trans	-53.9	14.3	-167.8	-66.4	175.2	177.3	170.6	0	117.6
53	D	29.9	Very low	32.6	Very low	39 Å²	39	104.2 Å²	104.2	21%	0.209	53%	0.529	C	S	.	.			trans	-93	148.8	178.7	-63.5	-43.4	0	0	0	111.5	T49 D51 L72	T49-D53 PolarHBondContact OG1-O 2.98Å; D51-D53 PolarHBondContact O-N 3.31Å; D53-L72 HydrophobicContact CB-CD2 3.98Å; D53-L72 WeakPolarHBondContact OD2-CD2 3.21Å
54	V	35.7	Very low	32.6	Very low	44 Å²	44	101.1 Å²	101.1	27%	0.267	51%	0.51	S	S	.	.			trans	-113.7	123.6	-177.3	169.1	0	0	0	0	108.9	V47 L56	V47-V54 HydrophobicContact CG1-CB 4.39Å; V47-V54 HydrophobicContact CG1-CG1 3.47Å; V47-V54 VanDerWaalsContact CG1-CG1 3.47Å; V47-V54 HydrophobicContact CG1-CG2 4.18Å; V54-L56 HydrophobicContact CG1-CG 4.45Å; V54-L56 PolarHBondContact O-N 3.03Å; V54-L56 VanDerWaalsContact O-N 3.16Å
55	D	37.4	Very low	32.9	Very low	84 Å²	84	98.2 Å²	98.2	45%	0.449	51%	0.509	S	S	.	.			trans	-79.9	94.1	170.3	-174.1	-5.6	0	0	0	110.4	H57 K58	D55-H57 PolarHBondContact O-N 3.4Å; D55-H57 WeakPolarHBondContact OD1-CB 3.42Å; D55-H57 PolarHBondContact OD1-N 3.04Å; D55-K58 HydrophobicContact CB-CB 4.44Å; D55-K58 PolarHBondContact O-N 3.16Å; D55-K58 PolarHBondContact OD1-N 2.97Å
56	L	35.4	Very low	33.2	Very low	51 Å²	51	103.8 Å²	103.8	27%	0.267	53%	0.525	S	S	.	.	H	α-helix	trans	-62.1	-25.7	178.2	-76.8	159.8	0	0	0	113.1	V54 K58 V59 Y60	V54-L56 HydrophobicContact CG1-CG 4.45Å; V54-L56 PolarHBondContact O-N 3.03Å; V54-L56 VanDerWaalsContact O-N 3.16Å; L56-K58 VanDerWaalsContact C-N 3.35Å; L56-V59 PolarHBondContact O-N 2.65Å; L56-Y60 HydrophobicContact CD2-CD2 4.08Å; L56-Y60 HydrophobicContact CD2-CE2 4.05Å; L56-Y60 PolarHBondContact O-N 2.83Å
57	H	34.9	Very low	33.3	Very low	64 Å²	64	99.8 Å²	99.8	30%	0.296	51%	0.508	S	S	.	.	H	α-helix	trans	-71.8	-29.8	178	-90.8	84.2	0	0	0	111.8	D55 V59 G61	D55-H57 PolarHBondContact O-N 3.4Å; D55-H57 WeakPolarHBondContact OD1-CB 3.42Å; D55-H57 PolarHBondContact OD1-N 3.04Å; H57-V59 VanDerWaalsContact C-N 3.27Å; H57-V59 PolarHBondContact O-N 3.4Å; H57-G61 VanDerWaalsContact O-CA 3.24Å; H57-G61 WeakPolarHBondContact O-CA 3.41Å; H57-G61 PolarHBondContact O-N 3.41Å
58	K	38.3	Very low	33.4	Very low	181 Å²	181	102.1 Å²	102.1	79%	0.787	52%	0.524	S	S	*	.	H	α-helix	trans	-66.6	-28.1	170.8	-91.3	-177.9	177.5	173.5	0	113.4	D55 L56	D55-K58 HydrophobicContact CB-CB 4.44Å; D55-K58 PolarHBondContact O-N 3.16Å; D55-K58 PolarHBondContact OD1-N 2.97Å; L56-K58 VanDerWaalsContact C-N 3.35Å
59	V	36.1	Very low	33.7	Very low	56 Å²	56	106.9 Å²	106.9	34%	0.339	54%	0.542	S	S	.	.	H	α-helix	trans	-89.9	-40.3	-176.8	-175.3	0	0	0	0	111.9	V47 L56 H57	V47-V59 HydrophobicContact CG1-CG2 3.97Å; L56-V59 PolarHBondContact O-N 2.65Å; H57-V59 VanDerWaalsContact C-N 3.27Å; H57-V59 PolarHBondContact O-N 3.4Å
60	Y	33.6	Very low	33.7	Very low	119 Å²	119	106.5 Å²	106.5	47%	0.467	56%	0.555	S	S	.	*	H	α-helix	trans	-118.3	-1.7	-170.9	-63.8	-74.2	0	0	0	114.7	L56 K63	L56-Y60 HydrophobicContact CD2-CD2 4.08Å; L56-Y60 HydrophobicContact CD2-CE2 4.05Å; L56-Y60 PolarHBondContact O-N 2.83Å; Y60-K63 PolarHBondContact O-N 3.1Å
61	G	37.9	Very low	33.2	Very low	32 Å²	32	104 Å²	104	33%	0.33	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	56.5	-143.6	-178.1	0	0	0	0	0	112.6	H57 K63 C64	H57-G61 VanDerWaalsContact O-CA 3.24Å; H57-G61 WeakPolarHBondContact O-CA 3.41Å; H57-G61 PolarHBondContact O-N 3.41Å; G61-K63 PolarHBondContact O-N 3.4Å; G61-C64 PolarHBondContact O-N 3.48Å
62	D	37.1	Very low	32.9	Very low	156 Å²	156	104 Å²	104	83%	0.834	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-69.5	-2.2	-177.1	-61.8	-36.4	0	0	0	114.5	C64	D62-C64 PolarHBondContact O-N 3.19Å
63	K	35.6	Very low	32.5	Very low	177 Å²	177	97.3 Å²	97.3	77%	0.77	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-84.2	4.2	174.1	-66.8	-176.5	-178.1	170.3	0	113.2	Y60 G61 G65	Y60-K63 PolarHBondContact O-N 3.1Å; G61-K63 PolarHBondContact O-N 3.4Å; K63-G65 PolarHBondContact O-N 2.96Å
64	C	27.6	Very low	32.1	Very low	20 Å²	20	101.7 Å²	101.7	14%	0.135	54%	0.542	C	S	.	.			trans	-72	71.8	172.1	-155.5	0	0	0	0	109.7	G61 D62	G61-C64 PolarHBondContact O-N 3.48Å; D62-C64 PolarHBondContact O-N 3.19Å
65	G	34.1	Very low	31.6	Very low	53 Å²	53	103.7 Å²	103.7	55%	0.546	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	147.7	-179.6	0	0	0	0	0	113	K63 F67	K63-G65 PolarHBondContact O-N 2.96Å; G65-F67 VanDerWaalsContact O-CD2 3.31Å; G65-F67 WeakPolarHBondContact O-CD2 3.31Å; G65-F67 PolarHBondContact O-N 2.81Å
66	E	33.7	Very low	31	Very low	202 Å²	202	106 Å²	106	94%	0.944	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.8	0.6	172.7	-70.4	-175.1	173.9	0	0	119.2	P68	E66-P68 WeakPolarHBondContact O-CD 3.07Å
67	F	30.9	Very low	30.6	Very low	92 Å²	92	107.1 Å²	107.1	40%	0.404	57%	0.574	S	S	.	*			trans	-85.9	109.5	169.7	-75.3	-81.5	0	0	0	109.5	G65	G65-F67 VanDerWaalsContact O-CD2 3.31Å; G65-F67 WeakPolarHBondContact O-CD2 3.31Å; G65-F67 PolarHBondContact O-N 2.81Å
68	P	33.5	Very low	30.1	Very low	90 Å²	90	106.5 Å²	106.5	58%	0.584	59%	0.585	S	S	*	*			trans	-60.7	140.8	176.1	24.1	-32	0	0	0	110.8	E66 G70	E66-P68 WeakPolarHBondContact O-CD 3.07Å; P68-G70 PolarHBondContact O-N 3.3Å
69	K	31.5	Very low	29.7	Very low	180 Å²	180	102.4 Å²	102.4	78%	0.783	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	130.7	178.7	-72	-179.8	175.4	-179.8	0	110.6
70	G	29.5	Very low	29.4	Very low	76 Å²	76	104.2 Å²	104.2	78%	0.784	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.1	-4.8	166.3	0	0	0	0	0	116.8	P68	P68-G70 PolarHBondContact O-N 3.3Å
71	E	23.4	Very low	29.3	Very low	150 Å²	150	102.7 Å²	102.7	70%	0.701	57%	0.574	S	S	*	*			trans	-91.4	105.4	169.8	-73.9	-168.3	163.2	0	0	110.8	C73	E71-C73 PolarHBondContact O-N 3.49Å; E71-C73 VanDerWaalsContact O-N 3.09Å
72	L	24.7	Very low	28.9	Very low	126 Å²	126	108.6 Å²	108.6	66%	0.66	59%	0.591	S	S	*	*			trans	-61.6	108.1	164.8	-82.1	88.2	0	0	0	108.1	D53 N74	D53-L72 HydrophobicContact CB-CD2 3.98Å; D53-L72 WeakPolarHBondContact OD2-CD2 3.21Å; L72-N74 PolarHBondContact O-N 3.23Å
73	C	22.2	Very low	28.6	Very low	51 Å²	51	107.7 Å²	107.7	35%	0.345	58%	0.581	S	S	.	*			trans	-74.1	99.6	176.9	-73	0	0	0	0	110.3	E71 F75	E71-C73 PolarHBondContact O-N 3.49Å; E71-C73 VanDerWaalsContact O-N 3.09Å; C73-F75 VanDerWaalsContact C-N 3.28Å; C73-F75 HydrophobicContact CB-CD2 3.59Å; C73-F75 HydrophobicContact CB-CE2 3.28Å; C73-F75 HydrophobicContact CB-CZ 4.16Å; C73-F75 WeakPolarHBondContact O-CD2 3.4Å; C73-F75 PolarHBondContact O-N 3.34Å
74	N	22.2	Very low	28.5	Very low	131 Å²	131	105 Å²	105	70%	0.701	57%	0.57	S	S	*	*			trans	-57	78.5	169.3	-91.7	-33.9	0	0	0	111.9	L72 T76	L72-N74 PolarHBondContact O-N 3.23Å; N74-T76 PolarHBondContact O-N 2.87Å
75	F	25	Very low	28.7	Very low	86 Å²	86	106.4 Å²	106.4	38%	0.377	58%	0.576	S	S	.	*			trans	-90.3	88.6	173.7	-74.5	-70	0	0	0	110.1	C73 T77	C73-F75 VanDerWaalsContact C-N 3.28Å; C73-F75 HydrophobicContact CB-CD2 3.59Å; C73-F75 HydrophobicContact CB-CE2 3.28Å; C73-F75 HydrophobicContact CB-CZ 4.16Å; C73-F75 WeakPolarHBondContact O-CD2 3.4Å; C73-F75 PolarHBondContact O-N 3.34Å; F75-T77 PolarHBondContact O-N 3Å; F75-T77 VanDerWaalsContact O-N 3.07Å
76	T	24.3	Very low	28.5	Very low	133 Å²	133	112.4 Å²	112.4	82%	0.816	58%	0.582	S	S	*	*			trans	-68.9	3.7	179.2	42.7	0	0	0	0	115.2	N74	N74-T76 PolarHBondContact O-N 2.87Å
77	T	26.5	Very low	28.5	Very low	74 Å²	74	105.1 Å²	105.1	45%	0.454	56%	0.556	S	S	.	*			trans	-145.6	119.4	172.1	59.7	0	0	0	0	112.1	F75 T79 E80	F75-T77 PolarHBondContact O-N 3Å; F75-T77 VanDerWaalsContact O-N 3.07Å; T77-T79 PolarHBondContact O-N 3.33Å; T77-E80 PolarHBondContact O-N 3.11Å
78	G	24.6	Very low	28.5	Very low	51 Å²	51	103 Å²	103	53%	0.526	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	1.7	-177.5	0	0	0	0	0	116.1	K82	G78-K82 WeakPolarHBondContact O-CG 3.49Å; G78-K82 PolarHBondContact O-N 3.34Å
79	T	29.1	Very low	28.3	Very low	95 Å²	95	102 Å²	102	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-79.4	-41.4	177.6	36.9	0	0	0	0	113	T77 Q83	T77-T79 PolarHBondContact O-N 3.33Å; T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.35Å
80	E	30.5	Very low	28.3	Very low	94 Å²	94	98.2 Å²	98.2	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-68.9	-39.7	177.4	-107	-172.2	149.4	0	0	111.6	T77 K82 Q83 K84	T77-E80 PolarHBondContact O-N 3.11Å; E80-K82 PolarHBondContact O-N 3.43Å; E80-Q83 WeakPolarHBondContact O-CB 3.49Å; E80-Q83 PolarHBondContact O-N 3.16Å; E80-Q83 VanDerWaalsContact O-N 3.16Å; E80-K84 PolarHBondContact O-N 3.1Å
81	Y	31.2	Very low	28.5	Very low	87 Å²	87	99.4 Å²	99.4	34%	0.341	52%	0.521	S	S	.	.	H	α-helix	trans	-58.6	-47.8	176.2	-179.9	-100	0	0	0	112.3	Q83 K84 L85	Y81-Q83 PolarHBondContact O-N 2.92Å; Y81-K84 PolarHBondContact O-N 2.81Å; Y81-L85 HydrophobicContact CE1-CD2 4.36Å; Y81-L85 WeakPolarHBondContact O-CB 3.27Å; Y81-L85 PolarHBondContact O-N 3.17Å
82	K	29	Very low	28.9	Very low	156 Å²	156	98.7 Å²	98.7	68%	0.678	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-32.9	176.7	-79	178.3	-178.6	179.3	0	112.4	G78 E80 R86	G78-K82 WeakPolarHBondContact O-CG 3.49Å; G78-K82 PolarHBondContact O-N 3.34Å; E80-K82 PolarHBondContact O-N 3.43Å; K82-R86 WeakPolarHBondContact O-CB 3.08Å; K82-R86 PolarHBondContact O-N 2.91Å
83	Q	32.4	Very low	29.1	Very low	137 Å²	137	98.7 Å²	98.7	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-73.4	-47.7	179.7	-73.8	176.4	-4.8	0	0	112	T79 E80 Y81 R86 A87	T79-Q83 WeakPolarHBondContact O-CG 3.45Å; T79-Q83 PolarHBondContact O-N 3.35Å; E80-Q83 WeakPolarHBondContact O-CB 3.49Å; E80-Q83 PolarHBondContact O-N 3.16Å; E80-Q83 VanDerWaalsContact O-N 3.16Å; Y81-Q83 PolarHBondContact O-N 2.92Å; Q83-R86 PolarHBondContact O-N 3.4Å; Q83-A87 WeakPolarHBondContact O-CB 3.44Å; Q83-A87 PolarHBondContact O-N 2.95Å
84	K	32.4	Very low	29.4	Very low	120 Å²	120	102.7 Å²	102.7	52%	0.522	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-42.8	178.4	-73.4	-175.7	178.8	176.6	0	112	E80 Y81 R86 A87 A88	E80-K84 PolarHBondContact O-N 3.1Å; Y81-K84 PolarHBondContact O-N 2.81Å; K84-R86 VanDerWaalsContact C-N 3.32Å; K84-R86 PolarHBondContact O-N 2.95Å; K84-A87 PolarHBondContact O-N 3.48Å; K84-A88 WeakPolarHBondContact O-CB 3.44Å; K84-A88 PolarHBondContact O-N 3.14Å
85	L	31.4	Very low	29.8	Very low	51 Å²	51	105.1 Å²	105.1	27%	0.267	54%	0.535	S	S	.	.	H	α-helix	trans	-61.2	-40.4	176.7	-165.2	77.7	0	0	0	111.8	Y81 A88 L89	Y81-L85 HydrophobicContact CE1-CD2 4.36Å; Y81-L85 WeakPolarHBondContact O-CB 3.27Å; Y81-L85 PolarHBondContact O-N 3.17Å; L85-A88 PolarHBondContact O-N 3.32Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.49Å
86	R	31.3	Very low	30.1	Very low	178 Å²	178	109.4 Å²	109.4	67%	0.672	55%	0.554	S	S	*	*	H	α-helix	trans	-71.5	-37.6	179	-162.5	177.3	-166.6	179.1	3.3	112.3	K82 Q83 K84 L89 I90	K82-R86 WeakPolarHBondContact O-CB 3.08Å; K82-R86 PolarHBondContact O-N 2.91Å; Q83-R86 PolarHBondContact O-N 3.4Å; K84-R86 VanDerWaalsContact C-N 3.32Å; K84-R86 PolarHBondContact O-N 2.95Å; R86-L89 PolarHBondContact O-N 3.3Å; R86-I90 HydrophobicContact CG-CD1 4.2Å; R86-I90 VanDerWaalsContact O-CG1 3.27Å; R86-I90 WeakPolarHBondContact O-CG1 3.27Å; R86-I90 PolarHBondContact O-N 3.26Å
87	A	33.3	Very low	30.3	Very low	49 Å²	49	106.4 Å²	106.4	41%	0.405	53%	0.532	S	S	.	.	H	α-helix	trans	-64	-42.3	173.7	0	0	0	0	0	111.6	Q83 K84 I90 N91	Q83-A87 WeakPolarHBondContact O-CB 3.44Å; Q83-A87 PolarHBondContact O-N 2.95Å; K84-A87 PolarHBondContact O-N 3.48Å; A87-I90 PolarHBondContact O-N 3.05Å; A87-N91 WeakPolarHBondContact O-CB 3.44Å; A87-N91 PolarHBondContact O-N 3.24Å
88	A	30.7	Very low	30.6	Very low	47 Å²	47	107.6 Å²	107.6	39%	0.388	54%	0.541	S	S	.	.	H	α-helix	trans	-62.5	-44.7	175.7	0	0	0	0	0	112.1	K84 L85 N91 N92	K84-A88 WeakPolarHBondContact O-CB 3.44Å; K84-A88 PolarHBondContact O-N 3.14Å; L85-A88 PolarHBondContact O-N 3.32Å; A88-N91 PolarHBondContact O-N 3.43Å; A88-N92 WeakPolarHBondContact O-CB 3.37Å; A88-N92 PolarHBondContact O-N 3.06Å
89	L	29	Very low	31.1	Very low	70 Å²	70	111 Å²	111	37%	0.366	54%	0.543	S	S	.	.	H	α-helix	trans	-58.5	-49.9	173.8	-79.9	161.7	0	0	0	111.5	L85 R86 N91 N92 F93	L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 3.49Å; R86-L89 PolarHBondContact O-N 3.3Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 2.95Å; L89-N92 PolarHBondContact O-N 3.36Å; L89-F93 HydrophobicContact CD2-CD2 4.14Å; L89-F93 HydrophobicContact CD2-CE2 3.76Å; L89-F93 WeakPolarHBondContact O-CB 3.01Å; L89-F93 VanDerWaalsContact O-CD2 3.23Å; L89-F93 WeakPolarHBondContact O-CD2 3.46Å; L89-F93 PolarHBondContact O-N 3.2Å
90	I	32	Very low	31.4	Very low	101 Å²	101	109.6 Å²	109.6	52%	0.518	53%	0.531	S	S	.	.	H	α-helix	trans	-63.5	-37.9	-178.8	-68.3	166.5	0	0	0	111.7	R86 A87 K94	R86-I90 HydrophobicContact CG-CD1 4.2Å; R86-I90 VanDerWaalsContact O-CG1 3.27Å; R86-I90 WeakPolarHBondContact O-CG1 3.27Å; R86-I90 PolarHBondContact O-N 3.26Å; A87-I90 PolarHBondContact O-N 3.05Å; I90-K94 PolarHBondContact O-N 3.42Å
91	N	33	Very low	31.7	Very low	101 Å²	101	107.4 Å²	107.4	54%	0.54	52%	0.522	S	S	.	.	H	α-helix	trans	-73.3	-39.8	-179.4	-74.9	-17.1	0	0	0	112.3	A87 A88 L89	A87-N91 WeakPolarHBondContact O-CB 3.44Å; A87-N91 PolarHBondContact O-N 3.24Å; A88-N91 PolarHBondContact O-N 3.43Å; L89-N91 VanDerWaalsContact C-N 3.3Å; L89-N91 PolarHBondContact O-N 2.95Å
92	N	32.3	Very low	32	Very low	135 Å²	135	105.6 Å²	105.6	72%	0.722	52%	0.516	S	S	*	.	H	α-helix	trans	-71.8	-31	178.1	-78.1	-18.2	0	0	0	113.1	A88 L89	A88-N92 WeakPolarHBondContact O-CB 3.37Å; A88-N92 PolarHBondContact O-N 3.06Å; L89-N92 PolarHBondContact O-N 3.36Å
93	F	28.8	Very low	32.3	Very low	125 Å²	125	98.9 Å²	98.9	55%	0.548	49%	0.487	S	S	.	.	H	α-helix	trans	-89	-3.4	-177.2	-80.9	-81.3	0	0	0	114.6	L89 E95 I97	L89-F93 HydrophobicContact CD2-CD2 4.14Å; L89-F93 HydrophobicContact CD2-CE2 3.76Å; L89-F93 WeakPolarHBondContact O-CB 3.01Å; L89-F93 VanDerWaalsContact O-CD2 3.23Å; L89-F93 WeakPolarHBondContact O-CD2 3.46Å; L89-F93 PolarHBondContact O-N 3.2Å; F93-E95 PolarHBondContact O-N 3.06Å; F93-I97 HydrophobicContact CB-CD1 4.47Å; F93-I97 HydrophobicContact CD1-CD1 4.4Å
94	K	28	Very low	32.5	Very low	136 Å²	136	94.3 Å²	94.3	59%	0.591	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26.9	-179.1	-109.3	177.9	-179.8	173.3	0	114.2	I90	I90-K94 PolarHBondContact O-N 3.42Å
95	E	31.4	Very low	32.4	Very low	182 Å²	182	90.5 Å²	90.5	85%	0.85	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-6.8	-167.2	-69.3	-166.5	159.6	0	0	116	F93	F93-E95 PolarHBondContact O-N 3.06Å
96	K	30.6	Very low	32.6	Very low	176 Å²	176	89.4 Å²	89.4	77%	0.765	46%	0.458	S	S	*	.			trans	-133.4	20.2	-164.5	-75.3	-169	179.2	178.7	0	118.7	P98	K96-P98 VanDerWaalsContact C-CD 3.48Å; K96-P98 WeakPolarHBondContact O-CD 3.31Å
97	I	28.9	Very low	32.8	Very low	70 Å²	70	84.7 Å²	84.7	36%	0.359	44%	0.442	S	S	.	.			trans	-109.5	88.9	-178.3	-45.5	178.1	0	0	0	112.7	F93 M100 L129	F93-I97 HydrophobicContact CB-CD1 4.47Å; F93-I97 HydrophobicContact CD1-CD1 4.4Å; I97-M100 HydrophobicContact CD1-CE 4.47Å; I97-M100 HydrophobicContact CG2-CE 4.16Å; I97-M100 HydrophobicContact CG2-CG 4.31Å; I97-L129 HydrophobicContact CG2-CD1 4.16Å
98	P	31.7	Very low	33	Very low	98 Å²	98	85.5 Å²	85.5	64%	0.636	44%	0.439	S	S	*	.			trans	-84.1	120.5	162.1	32.1	-27.4	0	0	0	109.4	K96	K96-P98 VanDerWaalsContact C-CD 3.48Å; K96-P98 WeakPolarHBondContact O-CD 3.31Å
99	E	35.9	Very low	33.3	Very low	124 Å²	124	84.9 Å²	84.9	58%	0.579	43%	0.428	S	S	*	.			trans	68.5	116.8	167.4	-54	-173.2	153.9	0	0	116.9	K187	E99-K187 WeakPolarHBondContact OE1-CE 3.2Å; E99-K187 IonicContact OE1-NZ 2.9Å; E99-K187 PolarHBondContact OE1-NZ 3.24Å
100	M	35.6	Very low	33.7	Very low	64 Å²	64	83.3 Å²	83.3	32%	0.315	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132	169.8	-73.5	-170.9	-147.4	0	0	110.7	I97 F102 I193	I97-M100 HydrophobicContact CD1-CE 4.47Å; I97-M100 HydrophobicContact CG2-CE 4.16Å; I97-M100 HydrophobicContact CG2-CG 4.31Å; M100-F102 HydrophobicContact CB-CE2 4.23Å; M100-I193 HydrophobicContact CE-CD1 3.72Å
101	I	36.6	Very low	33.9	Very low	49 Å²	49	83 Å²	83	25%	0.251	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.9	172.5	-58.4	172.1	0	0	0	108.4	L103 I149 L171	I101-L103 HydrophobicContact CG2-CD2 3.89Å; I101-L103 HydrophobicContact CG2-CG 4.1Å; I101-I149 HydrophobicContact CD1-CG2 4.49Å; I101-L171 HydrophobicContact CG2-CD1 4.5Å
102	F	36.7	Very low	34	Very low	48 Å²	48	87 Å²	87	21%	0.211	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	112	176.9	-77.3	-93.3	0	0	0	110.2	M100 F127 F184	M100-F102 HydrophobicContact CB-CE2 4.23Å; F102-F127 HydrophobicContact CD1-CE1 4.29Å; F102-F127 HydrophobicContact CE1-CD1 4.03Å; F102-F127 AromaticContact CE1-CE1 3.56Å; F102-F127 HydrophobicContact CE1-CE1 3.56Å; F102-F127 HydrophobicContact CE1-CZ 4.49Å; F102-F127 HydrophobicContact CZ-CE1 4.37Å; F102-F184 HydrophobicContact CB-CD2 4.25Å; F102-F184 HydrophobicContact CB-CE2 3.75Å; F102-F184 HydrophobicContact CB-CZ 4.13Å; F102-F184 HydrophobicContact CG-CE2 4.31Å
103	L	36.6	Very low	33.9	Very low	16 Å²	16	83.5 Å²	83.5	8%	0.084	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	107.8	177.6	-61.2	177.6	0	0	0	109.5	I101 L106 I108 G126 I149 L183	I101-L103 HydrophobicContact CG2-CD2 3.89Å; I101-L103 HydrophobicContact CG2-CG 4.1Å; L103-L106 HydrophobicContact CD2-CD1 4.34Å; L103-I108 HydrophobicContact CD1-CD1 3.78Å; L103-G126 PolarHBondContact O-N 3.33Å; L103-I149 HydrophobicContact CD1-CD1 4.01Å; L103-L183 HydrophobicContact CD2-CD1 4.24Å; L103-L183 HydrophobicContact CD2-CD2 3.56Å; L103-L183 HydrophobicContact CD2-CG 3.68Å
104	T	36.9	Very low	33.8	Very low	41 Å²	41	81.5 Å²	81.5	25%	0.252	41%	0.411	S	S	.	.			trans	-110.4	145.2	170	77.4	0	0	0	0	110.3	L106 Y182 F184	T104-L106 VanDerWaalsContact C-N 3.34Å; T104-L106 PolarHBondContact O-N 3.29Å; T104-Y182 CarbonylContact C-O 3.13Å; T104-Y182 PolarHBondContact OG1-O 3.07Å; T104-F184 HydrophobicContact CG2-CE1 4.43Å
105	G	30.4	Very low	33.7	Very low	40 Å²	40	80.7 Å²	80.7	41%	0.412	42%	0.422	S	S	.	.	S	Bend	trans	77.4	2.8	170.6	0	0	0	0	0	117.3
106	L	35	Very low	33.3	Very low	27 Å²	27	74.3 Å²	74.3	14%	0.141	41%	0.405	C	S	.	.			trans	-88.5	135.5	171.3	-79.2	172.9	0	0	0	111.7	L103 T104 I108 I137 L183	L103-L106 HydrophobicContact CD2-CD1 4.34Å; T104-L106 VanDerWaalsContact C-N 3.34Å; T104-L106 PolarHBondContact O-N 3.29Å; L106-I108 HydrophobicContact CB-CD1 4.21Å; L106-I108 HydrophobicContact CB-CG1 3.7Å; L106-I108 HydrophobicContact CD1-CD1 4.36Å; L106-I108 HydrophobicContact CD1-CG1 4.39Å; L106-I108 PolarHBondContact O-N 3.16Å; L106-I137 HydrophobicContact CD2-CD1 3.94Å; L106-L183 HydrophobicContact CD1-CD1 3.36Å; L106-L183 HydrophobicContact CD1-CD2 4.01Å; L106-L183 HydrophobicContact CD1-CG 4.23Å; L106-L183 HydrophobicContact CD2-CD1 4.27Å; L106-L183 HydrophobicContact CG-CD1 3.44Å; L106-L183 VanDerWaalsContact CG-CD1 3.44Å
107	K	35.7	Very low	32.9	Very low	79 Å²	79	71.1 Å²	71.1	34%	0.343	41%	0.405	S	S	.	.			trans	-85.4	91.8	159	-76.7	179.6	-177.8	-177.9	0	108	K121	K107-K121 HydrophobicContact CD-CB 4.25Å; K107-K121 HydrophobicContact CD-CD 3.95Å; K107-K121 VanDerWaalsContact CE-CB 3.47Å
108	I	36.9	Very low	32.7	Very low	66 Å²	66	70.5 Å²	70.5	34%	0.338	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123	173.8	-54.3	179.9	0	0	0	106.7	L103 L106 Y135	L103-I108 HydrophobicContact CD1-CD1 3.78Å; L106-I108 HydrophobicContact CB-CD1 4.21Å; L106-I108 HydrophobicContact CB-CG1 3.7Å; L106-I108 HydrophobicContact CD1-CD1 4.36Å; L106-I108 HydrophobicContact CD1-CG1 4.39Å; L106-I108 PolarHBondContact O-N 3.16Å; I108-Y135 HydrophobicContact CG2-CD1 3.22Å; I108-Y135 HydrophobicContact CG2-CE1 3.69Å; I108-Y135 HydrophobicContact CG2-CG 4.15Å
109	H	37.9	Very low	32.2	Very low	34 Å²	34	76.4 Å²	76.4	16%	0.157	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.7	168.6	-68.9	-70.1	0	0	0	107.9	D113 F136	H109-D113 HydrophobicContact CB-CB 4.47Å; H109-F136 HydrophobicContact CB-CB 4.28Å; H109-F136 PolarHBondContact N-O 3.05Å; H109-F136 PolarHBondContact O-N 3.33Å
110	S	37.4	Very low	31.7	Very low	38 Å²	38	77.9 Å²	77.9	27%	0.266	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	158.5	164.9	70.1	0	0	0	0	109.4	K112 D113	S110-K112 PolarHBondContact O-N 3.4Å; S110-K112 VanDerWaalsContact O-N 3.14Å; S110-D113 PolarHBondContact N-OD2 3.49Å; S110-D113 WeakPolarHBondContact O-CB 3.45Å; S110-D113 PolarHBondContact O-N 3.02Å; S110-D113 PolarHBondContact OG-OD2 3.28Å
111	D	36.3	Very low	31.2	Very low	94 Å²	94	79.5 Å²	79.5	50%	0.503	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-57.9	-28.8	179	-145.6	7.2	0	0	0	111.9	D113 L114 F136	D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact O-N 3.35Å; D111-L114 WeakPolarHBondContact O-CB 3.49Å; D111-L114 PolarHBondContact O-N 2.79Å; D111-L114 WeakPolarHBondContact OD1-CD1 3.41Å; D111-F136 WeakPolarHBondContact OD1-CE2 3.4Å
112	K	34.2	Very low	30.6	Very low	186 Å²	186	82.1 Å²	82.1	81%	0.809	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-74.5	-14.3	176.9	-67.7	-171.2	178.1	-176.2	0	114.1	S110 L114	S110-K112 PolarHBondContact O-N 3.4Å; S110-K112 VanDerWaalsContact O-N 3.14Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.14Å
113	D	30.8	Very low	30	Very low	61 Å²	61	88.9 Å²	88.9	33%	0.326	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-78.8	-10	173.7	-65	-53	0	0	0	112.7	H109 S110 D111 S115 G116	H109-D113 HydrophobicContact CB-CB 4.47Å; S110-D113 PolarHBondContact N-OD2 3.49Å; S110-D113 WeakPolarHBondContact O-CB 3.45Å; S110-D113 PolarHBondContact O-N 3.02Å; S110-D113 PolarHBondContact OG-OD2 3.28Å; D111-D113 VanDerWaalsContact C-N 3.3Å; D111-D113 PolarHBondContact O-N 3.35Å; D113-S115 VanDerWaalsContact C-N 3.32Å; D113-S115 PolarHBondContact O-N 3.25Å; D113-G116 PolarHBondContact O-N 3.45Å
114	L	26.7	Very low	29.4	Very low	83 Å²	83	90.1 Å²	90.1	44%	0.435	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-76.8	-13.5	-175.1	-79.9	156.9	0	0	0	114.2	D111 K112 F136	D111-L114 WeakPolarHBondContact O-CB 3.49Å; D111-L114 PolarHBondContact O-N 2.79Å; D111-L114 WeakPolarHBondContact OD1-CD1 3.41Å; K112-L114 VanDerWaalsContact C-N 3.27Å; K112-L114 PolarHBondContact O-N 3.14Å; L114-F136 HydrophobicContact CD1-CD2 3.79Å; L114-F136 HydrophobicContact CD1-CE2 3.47Å; L114-F136 VanDerWaalsContact CD1-CE2 3.47Å; L114-F136 HydrophobicContact CD1-CG 4.47Å; L114-F136 HydrophobicContact CD1-CZ 3.88Å
115	S	24.7	Very low	28.9	Very low	119 Å²	119	92.3 Å²	92.3	83%	0.832	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-89	-5.2	174.1	56.7	0	0	0	0	113.9	D113	D113-S115 VanDerWaalsContact C-N 3.32Å; D113-S115 PolarHBondContact O-N 3.25Å
116	G	23.4	Very low	28.7	Very low	47 Å²	47	92.4 Å²	92.4	49%	0.485	52%	0.519	S	S	.	.	S	Bend	trans	-119.2	129.3	-173.2	0	0	0	0	0	114.4	D113 A118	D113-G116 PolarHBondContact O-N 3.45Å; G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.83Å
117	S	22.7	Very low	28.2	Very low	110 Å²	110	99.3 Å²	99.3	77%	0.769	55%	0.549	S	S	*	.			trans	-62.4	77.7	173.6	-176.6	0	0	0	0	112.3	R119	S117-R119 PolarHBondContact O-N 3.01Å
118	A	23.6	Very low	27.8	Very low	56 Å²	56	96.9 Å²	96.9	46%	0.463	55%	0.547	S	S	.	.			trans	-78.7	85.7	-175.3	0	0	0	0	0	112.5	G116 K121	G116-A118 VanDerWaalsContact C-N 3.29Å; G116-A118 PolarHBondContact O-N 2.83Å; A118-K121 WeakPolarHBondContact O-CE 3.46Å
119	R	22.9	Very low	27.3	Very low	223 Å²	223	99.9 Å²	99.9	84%	0.842	56%	0.563	S	S	*	*			trans	-84.5	-6.5	175.1	-82	-172.3	-177.2	179.5	2.3	115.6	S117	S117-R119 PolarHBondContact O-N 3.01Å
120	N	24.1	Very low	27.1	Very low	155 Å²	155	101 Å²	101	83%	0.829	57%	0.572	S	S	*	*			trans	-113.5	85.4	-179.1	-73.5	-14	0	0	0	111.2	S122	N120-S122 PolarHBondContact O-N 2.89Å
121	K	25.3	Very low	26.8	Very low	97 Å²	97	109.8 Å²	109.8	42%	0.422	60%	0.599	S	S	.	*			trans	-98.2	80.9	-172.3	-59.9	-171.9	171.5	-161.3	0	111.6	K107 A118	K107-K121 HydrophobicContact CD-CB 4.25Å; K107-K121 HydrophobicContact CD-CD 3.95Å; K107-K121 VanDerWaalsContact CE-CB 3.47Å; A118-K121 WeakPolarHBondContact O-CE 3.46Å
122	S	24.2	Very low	26.9	Very low	105 Å²	105	112.1 Å²	112.1	73%	0.734	61%	0.611	S	S	*	*			trans	-67.5	139.5	170.5	42.4	0	0	0	0	111	N120 G124	N120-S122 PolarHBondContact O-N 2.89Å; S122-G124 VanDerWaalsContact C-N 3.32Å; S122-G124 PolarHBondContact O-N 2.89Å
123	Y	23.1	Very low	27.1	Very low	189 Å²	189	108.2 Å²	108.2	74%	0.741	60%	0.596	S	S	*	*			trans	-74	85.3	171.7	-68.4	-93.4	0	0	0	108.1
124	G	25.1	Very low	27.5	Very low	43 Å²	43	110 Å²	110	44%	0.443	60%	0.601	S	S	.	*			trans	-81.5	119.2	177	0	0	0	0	0	111.1	S122 G126	S122-G124 VanDerWaalsContact C-N 3.32Å; S122-G124 PolarHBondContact O-N 2.89Å; G124-G126 PolarHBondContact O-N 3.38Å
125	S	25.9	Very low	28.3	Very low	87 Å²	87	106.8 Å²	106.8	61%	0.608	58%	0.583	S	S	*	*			trans	-71.3	104.1	155.7	37.7	0	0	0	0	107.6
126	G	26.6	Very low	29	Very low	41 Å²	41	102.5 Å²	102.5	42%	0.423	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.7	-175.1	0	0	0	0	0	111.7	L103 G124	L103-G126 PolarHBondContact O-N 3.33Å; G124-G126 PolarHBondContact O-N 3.38Å
127	F	25	Very low	29.8	Very low	172 Å²	172	100.7 Å²	100.7	75%	0.754	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	123	165.7	-60.4	-96.1	0	0	0	107.6	F102	F102-F127 HydrophobicContact CD1-CE1 4.29Å; F102-F127 HydrophobicContact CE1-CD1 4.03Å; F102-F127 AromaticContact CE1-CE1 3.56Å; F102-F127 HydrophobicContact CE1-CE1 3.56Å; F102-F127 HydrophobicContact CE1-CZ 4.49Å; F102-F127 HydrophobicContact CZ-CE1 4.37Å
128	G	27.1	Very low	30.3	Very low	29 Å²	29	98 Å²	98	30%	0.299	51%	0.507	S	S	.	.			trans	-145.8	97.6	-179.1	0	0	0	0	0	111.9	V130	G128-V130 PolarHBondContact O-N 3.06Å
129	L	25.7	Very low	30.8	Very low	129 Å²	129	99.1 Å²	99.1	68%	0.675	51%	0.509	S	S	*	.			trans	-72.3	104.9	153.6	-106.4	125.7	0	0	0	106	I97	I97-L129 HydrophobicContact CG2-CD1 4.16Å
130	V	35.1	Very low	31.3	Very low	58 Å²	58	92 Å²	92	35%	0.352	51%	0.505	S	S	.	.			trans	-138.6	102.9	-178.8	-161	0	0	0	0	110.5	G128 Q133 Y135	G128-V130 PolarHBondContact O-N 3.06Å; V130-Q133 HydrophobicContact CG1-CB 3.89Å; V130-Q133 HydrophobicContact CG1-CG 3.85Å; V130-Y135 WeakPolarHBondContact CB-OH 3.49Å; V130-Y135 WeakPolarHBondContact CG1-OH 3.43Å; V130-Y135 WeakPolarHBondContact CG2-OH 3.33Å
131	R	30.2	Very low	31.9	Very low	221 Å²	221	96.8 Å²	96.8	83%	0.834	51%	0.511	S	S	*	.	S	Bend	trans	-83.8	142.7	160.3	-77	-177.2	172.5	177.1	-3	108.8	Q133	R131-Q133 PolarHBondContact O-N 2.97Å
132	D	38.4	Very low	32.2	Very low	143 Å²	143	100.8 Å²	100.8	77%	0.765	52%	0.524	S	S	*	.	S	Bend	trans	59.7	35	160.7	-51.1	-33.3	0	0	0	118.7
133	Q	39.5	Very low	33	Very low	104 Å²	104	102.2 Å²	102.2	49%	0.486	52%	0.516	S	S	.	.			trans	-111.7	141.4	167.6	-69	-157.8	-16.4	0	0	113.5	V130 R131 Y135 T147	V130-Q133 HydrophobicContact CG1-CB 3.89Å; V130-Q133 HydrophobicContact CG1-CG 3.85Å; R131-Q133 PolarHBondContact O-N 2.97Å; Q133-Y135 HydrophobicContact CB-CE2 4.47Å; Q133-Y135 WeakPolarHBondContact O-CD2 3.48Å; Q133-Y135 WeakPolarHBondContact O-CE2 3.46Å; Q133-T147 CarbonylContact C-O 3.35Å
134	K	38.9	Very low	33.7	Very low	98 Å²	98	97.3 Å²	97.3	43%	0.426	50%	0.497	S	S	.	.			trans	-74.6	141.5	169	-65.9	-172.2	169	-163.8	0	111.2	E145 Y146	K134-E145 IonicContact NZ-OE1 2.92Å; K134-E145 PolarHBondContact NZ-OE1 3.06Å; K134-Y146 CarbonylContact C-O 3.51Å; K134-Y146 VanDerWaalsContact CA-O 3.31Å; K134-Y146 WeakPolarHBondContact CA-O 3.2Å
135	Y	42.9	Very low	34.7	Very low	16 Å²	16	100.4 Å²	100.4	6%	0.063	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.7	-179.2	-61.2	-71.3	0	0	0	112.2	I108 V130 Q133 Y146 I149	I108-Y135 HydrophobicContact CG2-CD1 3.22Å; I108-Y135 HydrophobicContact CG2-CE1 3.69Å; I108-Y135 HydrophobicContact CG2-CG 4.15Å; V130-Y135 WeakPolarHBondContact CB-OH 3.49Å; V130-Y135 WeakPolarHBondContact CG1-OH 3.43Å; V130-Y135 WeakPolarHBondContact CG2-OH 3.33Å; Q133-Y135 HydrophobicContact CB-CE2 4.47Å; Q133-Y135 WeakPolarHBondContact O-CD2 3.48Å; Q133-Y135 WeakPolarHBondContact O-CE2 3.46Å; Y135-Y146 PolarHBondContact N-O 3.3Å; Y135-Y146 PolarHBondContact O-N 2.87Å; Y135-I149 HydrophobicContact CD2-CG1 4.3Å; Y135-I149 HydrophobicContact CE2-CD1 4.25Å; Y135-I149 HydrophobicContact CE2-CG1 3.75Å
136	F	40	Very low	35.5	Very low	29 Å²	29	97.7 Å²	97.7	13%	0.127	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	128.5	167.3	-61.3	-92.8	0	0	0	110.8	H109 D111 L114 Y144 E145	H109-F136 HydrophobicContact CB-CB 4.28Å; H109-F136 PolarHBondContact N-O 3.05Å; H109-F136 PolarHBondContact O-N 3.33Å; D111-F136 WeakPolarHBondContact OD1-CE2 3.4Å; L114-F136 HydrophobicContact CD1-CD2 3.79Å; L114-F136 HydrophobicContact CD1-CE2 3.47Å; L114-F136 VanDerWaalsContact CD1-CE2 3.47Å; L114-F136 HydrophobicContact CD1-CG 4.47Å; L114-F136 HydrophobicContact CD1-CZ 3.88Å; F136-Y144 VanDerWaalsContact CA-O 3.31Å; F136-Y144 WeakPolarHBondContact CA-O 3.21Å; F136-E145 HydrophobicContact CD1-CB 3.84Å; F136-E145 HydrophobicContact CD1-CG 4.12Å; F136-E145 HydrophobicContact CE1-CB 3.53Å; F136-E145 HydrophobicContact CE1-CG 3.49Å; F136-E145 VanDerWaalsContact CE1-CG 3.49Å; F136-E145 HydrophobicContact CZ-CB 4.34Å; F136-E145 HydrophobicContact CZ-CG 3.79Å
137	I	38.9	Very low	36.2	Very low	10 Å²	10	99.4 Å²	99.4	5%	0.051	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133	170.6	-63.1	-174.8	0	0	0	109.7	L106 V139 Y144 Y146 L152	L106-I137 HydrophobicContact CD2-CD1 3.94Å; I137-V139 HydrophobicContact CG2-CG2 3.91Å; I137-Y144 PolarHBondContact N-O 3.41Å; I137-Y144 PolarHBondContact O-N 2.83Å; I137-Y146 HydrophobicContact CB-CE2 4.24Å; I137-L152 HydrophobicContact CD1-CD1 3.21Å; I137-L152 HydrophobicContact CD1-CD2 3.27Å; I137-L152 HydrophobicContact CD1-CG 3.75Å; I137-L152 HydrophobicContact CG1-CD1 3.83Å
138	T	34.6	Very low	37.2	Very low	52 Å²	52	93.2 Å²	93.2	32%	0.319	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.9	172.7	-44.5	0	0	0	0	109.5	R142 K143	T138-R142 CarbonylContact C-O 3.37Å; T138-R142 WeakPolarHBondContact CA-O 3Å; T138-K143 HydrophobicContact CG2-CG 4.42Å
139	V	32.7	Very low	38.2	Very low	81 Å²	81	93 Å²	93	49%	0.491	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	109.7	171.7	-172.4	0	0	0	0	108.1	I137 R141 R142 Y144	I137-V139 HydrophobicContact CG2-CG2 3.91Å; V139-R141 PolarHBondContact O-N 3.34Å; V139-R142 PolarHBondContact N-O 3.42Å; V139-R142 PolarHBondContact O-N 2.8Å; V139-R142 VanDerWaalsContact O-N 3.14Å; V139-Y144 HydrophobicContact CB-CD2 4.31Å; V139-Y144 HydrophobicContact CB-CE2 3.87Å; V139-Y144 HydrophobicContact CG2-CD2 4.16Å; V139-Y144 HydrophobicContact CG2-CE2 4.14Å
140	G	33.9	Very low	39.4	Very low	73 Å²	73	92 Å²	92	75%	0.753	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-120.6	-171.4	0	0	0	0	0	111.6
141	R	36.8	Very low	40.2	Very low	256 Å²	256	90.9 Å²	90.9	97%	0.966	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-1	174.7	-66.1	-174.2	-176.6	170.6	1.3	113.7	V139	V139-R141 PolarHBondContact O-N 3.34Å
142	R	31	Very low	41.1	Very low	181 Å²	181	80.7 Å²	80.7	68%	0.683	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	131.8	-176.9	-67.5	-175.1	179	-175.6	-0.4	110.3	T138 V139 Y144	T138-R142 CarbonylContact C-O 3.37Å; T138-R142 WeakPolarHBondContact CA-O 3Å; V139-R142 PolarHBondContact N-O 3.42Å; V139-R142 PolarHBondContact O-N 2.8Å; V139-R142 VanDerWaalsContact O-N 3.14Å; R142-Y144 HydrophobicContact CB-CD2 4.4Å; R142-Y144 HydrophobicContact CB-CE2 3.58Å
143	K	41.4	Very low	41.7	Very low	135 Å²	135	74.1 Å²	74.1	59%	0.587	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.2	168.2	-75.4	-176.2	176.5	-176.6	0	108.9	T138	T138-K143 HydrophobicContact CG2-CG 4.42Å
144	Y	39.1	Very low	42.3	Very low	85 Å²	85	71.9 Å²	71.9	33%	0.333	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.9	176.8	-63.1	-93.2	0	0	0	107.9	F136 I137 V139 R142 Y146	F136-Y144 VanDerWaalsContact CA-O 3.31Å; F136-Y144 WeakPolarHBondContact CA-O 3.21Å; I137-Y144 PolarHBondContact N-O 3.41Å; I137-Y144 PolarHBondContact O-N 2.83Å; V139-Y144 HydrophobicContact CB-CD2 4.31Å; V139-Y144 HydrophobicContact CB-CE2 3.87Å; V139-Y144 HydrophobicContact CG2-CD2 4.16Å; V139-Y144 HydrophobicContact CG2-CE2 4.14Å; R142-Y144 HydrophobicContact CB-CD2 4.4Å; R142-Y144 HydrophobicContact CB-CE2 3.58Å; Y144-Y146 HydrophobicContact CG-CE2 4.33Å; Y144-Y146 WeakPolarHBondContact O-CD2 3.09Å
145	E	44.4	Very low	42.8	Very low	108 Å²	108	71.9 Å²	71.9	51%	0.505	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	135.5	173.8	-173.1	-179.8	169.5	0	0	109.2	K134 F136	K134-E145 IonicContact NZ-OE1 2.92Å; K134-E145 PolarHBondContact NZ-OE1 3.06Å; F136-E145 HydrophobicContact CD1-CB 3.84Å; F136-E145 HydrophobicContact CD1-CG 4.12Å; F136-E145 HydrophobicContact CE1-CB 3.53Å; F136-E145 HydrophobicContact CE1-CG 3.49Å; F136-E145 VanDerWaalsContact CE1-CG 3.49Å; F136-E145 HydrophobicContact CZ-CB 4.34Å; F136-E145 HydrophobicContact CZ-CG 3.79Å
146	Y	42.8	Very low	43.1	Very low	30 Å²	30	79 Å²	79	12%	0.118	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.5	179.3	-65.1	-82.4	0	0	0	108.9	K134 Y135 I137 Y144 S151 L152 N175	K134-Y146 CarbonylContact C-O 3.51Å; K134-Y146 VanDerWaalsContact CA-O 3.31Å; K134-Y146 WeakPolarHBondContact CA-O 3.2Å; Y135-Y146 PolarHBondContact N-O 3.3Å; Y135-Y146 PolarHBondContact O-N 2.87Å; I137-Y146 HydrophobicContact CB-CE2 4.24Å; Y144-Y146 HydrophobicContact CG-CE2 4.33Å; Y144-Y146 WeakPolarHBondContact O-CD2 3.09Å; Y146-S151 WeakPolarHBondContact CB-OG 3.47Å; Y146-L152 HydrophobicContact CD1-CB 4.11Å; Y146-L152 HydrophobicContact CD1-CD1 4.06Å; Y146-L152 HydrophobicContact CD1-CG 3.83Å; Y146-L152 HydrophobicContact CD2-CD1 3.23Å; Y146-L152 HydrophobicContact CD2-CG 3.73Å; Y146-L152 HydrophobicContact CE1-CG 4.01Å; Y146-L152 HydrophobicContact CE2-CD1 3.77Å; Y146-L152 HydrophobicContact CE2-CG 3.85Å; Y146-L152 HydrophobicContact CG-CB 4.21Å; Y146-L152 HydrophobicContact CG-CD1 3.38Å; Y146-L152 HydrophobicContact CG-CG 3.7Å; Y146-N175 PolarHBondContact OH-ND2 3.18Å; Y146-N175 VanDerWaalsContact OH-ND2 3.1Å
147	T	41.9	Very low	43.6	Very low	78 Å²	78	85.2 Å²	85.2	48%	0.479	42%	0.415	S	S	.	.	S	Bend	trans	-87.4	-28.3	-174.3	49	0	0	0	0	113.7	Q133 S151	Q133-T147 CarbonylContact C-O 3.35Å; T147-S151 PolarHBondContact N-OG 2.87Å
148	T	46.9	Very low	44.1	Very low	41 Å²	41	85.1 Å²	85.1	25%	0.252	42%	0.416	S	S	.	.	S	Bend	trans	-145.4	156.6	179.1	61.6	0	0	0	0	109.8	E150 S151	T148-E150 PolarHBondContact O-N 3.42Å; T148-S151 PolarHBondContact N-OG 3.35Å; T148-S151 WeakPolarHBondContact O-CB 3.16Å; T148-S151 PolarHBondContact O-N 3.35Å; T148-S151 PolarHBondContact O-OG 3.26Å; T148-S151 PolarHBondContact OG1-N 3Å; T148-S151 VanDerWaalsContact OG1-N 3.11Å
149	I	47.6	Very low	44.6	Very low	24 Å²	24	86.7 Å²	86.7	12%	0.123	43%	0.425	C	S	.	.	H	α-helix	trans	-54.1	-37.5	170.8	-82.3	165	0	0	0	110.8	I101 L103 Y135 S151 L152 I153	I101-I149 HydrophobicContact CD1-CG2 4.49Å; L103-I149 HydrophobicContact CD1-CD1 4.01Å; Y135-I149 HydrophobicContact CD2-CG1 4.3Å; Y135-I149 HydrophobicContact CE2-CD1 4.25Å; Y135-I149 HydrophobicContact CE2-CG1 3.75Å; I149-S151 VanDerWaalsContact C-N 3.26Å; I149-S151 PolarHBondContact O-N 3.01Å; I149-L152 VanDerWaalsContact O-CB 3.27Å; I149-L152 WeakPolarHBondContact O-CB 2.86Å; I149-L152 PolarHBondContact O-N 2.76Å; I149-I153 HydrophobicContact CG2-CD1 4.13Å; I149-I153 PolarHBondContact O-N 2.78Å; I149-I153 VanDerWaalsContact O-N 3.11Å
150	E	49.8	Very low	45	Very low	110 Å²	110	89.6 Å²	89.6	51%	0.514	43%	0.432	S	S	.	.	H	α-helix	trans	-62	-31.5	176.3	-55.8	-175.9	158.7	0	0	112.6	T148 L152 M155 K174	T148-E150 PolarHBondContact O-N 3.42Å; E150-L152 PolarHBondContact O-N 3.46Å; E150-M155 HydrophobicContact CG-CE 3.84Å; E150-M155 HydrophobicContact CG-SD 4.48Å; E150-K174 WeakPolarHBondContact O-CD 3.41Å; E150-K174 WeakPolarHBondContact O-CE 3.41Å; E150-K174 PolarHBondContact O-NZ 3.31Å
151	S	52.2	Low	45.7	Very low	33 Å²	33	87.7 Å²	87.7	23%	0.231	40%	0.402	C	S	.	.	H	α-helix	trans	-69.6	-19.6	175.1	73.3	0	0	0	0	112.9	Y146 T147 T148 I149	Y146-S151 WeakPolarHBondContact CB-OG 3.47Å; T147-S151 PolarHBondContact N-OG 2.87Å; T148-S151 PolarHBondContact N-OG 3.35Å; T148-S151 WeakPolarHBondContact O-CB 3.16Å; T148-S151 PolarHBondContact O-N 3.35Å; T148-S151 PolarHBondContact O-OG 3.26Å; T148-S151 PolarHBondContact OG1-N 3Å; T148-S151 VanDerWaalsContact OG1-N 3.11Å; I149-S151 VanDerWaalsContact C-N 3.26Å; I149-S151 PolarHBondContact O-N 3.01Å
152	L	49.2	Very low	45.8	Very low	8 Å²	8	82.3 Å²	82.3	4%	0.042	39%	0.393	C	S	.	.	H	α-helix	trans	-95.6	-39.1	-172	-145.4	145	0	0	0	112.2	I137 Y146 I149 E150 Y173 K174	I137-L152 HydrophobicContact CD1-CD1 3.21Å; I137-L152 HydrophobicContact CD1-CD2 3.27Å; I137-L152 HydrophobicContact CD1-CG 3.75Å; I137-L152 HydrophobicContact CG1-CD1 3.83Å; Y146-L152 HydrophobicContact CD1-CB 4.11Å; Y146-L152 HydrophobicContact CD1-CD1 4.06Å; Y146-L152 HydrophobicContact CD1-CG 3.83Å; Y146-L152 HydrophobicContact CD2-CD1 3.23Å; Y146-L152 HydrophobicContact CD2-CG 3.73Å; Y146-L152 HydrophobicContact CE1-CG 4.01Å; Y146-L152 HydrophobicContact CE2-CD1 3.77Å; Y146-L152 HydrophobicContact CE2-CG 3.85Å; Y146-L152 HydrophobicContact CG-CB 4.21Å; Y146-L152 HydrophobicContact CG-CD1 3.38Å; Y146-L152 HydrophobicContact CG-CG 3.7Å; I149-L152 VanDerWaalsContact O-CB 3.27Å; I149-L152 WeakPolarHBondContact O-CB 2.86Å; I149-L152 PolarHBondContact O-N 2.76Å; E150-L152 PolarHBondContact O-N 3.46Å; L152-Y173 HydrophobicContact CD2-CD1 4.18Å; L152-Y173 HydrophobicContact CD2-CE1 4.24Å; L152-K174 PolarHBondContact O-N 2.89Å; L152-K174 VanDerWaalsContact O-N 3.16Å
153	I	50.9	Low	46.4	Very low	4 Å²	4	78.6 Å²	78.6	2%	0.021	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.6	-166.5	-70.9	149.3	0	0	0	109.8	I149 M155 L171 R172 K174 L183	I149-I153 HydrophobicContact CG2-CD1 4.13Å; I149-I153 PolarHBondContact O-N 2.78Å; I149-I153 VanDerWaalsContact O-N 3.11Å; I153-M155 PolarHBondContact O-N 3.43Å; I153-L171 HydrophobicContact CG2-CB 3.52Å; I153-L171 HydrophobicContact CG2-CD1 3.95Å; I153-L171 HydrophobicContact CG2-CD2 3.97Å; I153-L171 HydrophobicContact CG2-CG 4Å; I153-R172 WeakPolarHBondContact CA-O 3.32Å; I153-K174 WeakPolarHBondContact O-CE 3.41Å; I153-L183 HydrophobicContact CD1-CD2 3.24Å; I153-L183 HydrophobicContact CG1-CD2 3.85Å
154	D	53.4	Low	46.3	Very low	57 Å²	57	78.7 Å²	78.7	31%	0.305	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	109.4	170.8	-161.2	-6.7	0	0	0	107.6	K156 R172 K174	D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 WeakPolarHBondContact OD1-CB 3.33Å; D154-K156 PolarHBondContact OD1-N 3.22Å; D154-K156 VanDerWaalsContact OD1-N 3.1Å; D154-R172 PolarHBondContact N-O 3.39Å; D154-K174 HydrophobicContact CB-CG 3.8Å
155	M	48.6	Very low	46.6	Very low	99 Å²	99	79 Å²	79	49%	0.488	41%	0.405	S	S	.	.			trans	-75.2	-5.9	175.9	-61.9	-162.9	-62	0	0	112	E150 I153 E157	E150-M155 HydrophobicContact CG-CE 3.84Å; E150-M155 HydrophobicContact CG-SD 4.48Å; I153-M155 PolarHBondContact O-N 3.43Å; M155-E157 PolarHBondContact O-N 3.45Å
156	K	49.8	Very low	46.6	Very low	165 Å²	165	78.1 Å²	78.1	72%	0.717	41%	0.408	S	S	*	.	S	Bend	trans	-66.5	129.1	171.3	-70.7	-174.2	175.7	-176.7	0	110	D154 A158	D154-K156 PolarHBondContact O-N 3.4Å; D154-K156 WeakPolarHBondContact OD1-CB 3.33Å; D154-K156 PolarHBondContact OD1-N 3.22Å; D154-K156 VanDerWaalsContact OD1-N 3.1Å; K156-A158 PolarHBondContact O-N 3.02Å
157	E	48.8	Very low	46.9	Very low	160 Å²	160	78.8 Å²	78.8	75%	0.748	42%	0.424	S	S	*	.			trans	-34.3	110.8	-168.3	-62.2	-178.7	151	0	0	113.8	M155	M155-E157 PolarHBondContact O-N 3.45Å
158	A	49.7	Very low	47.2	Very low	7 Å²	7	75.1 Å²	75.1	6%	0.058	40%	0.402	C	S	.	.			trans	-86.6	177.6	154.9	0	0	0	0	0	110.2	K156 K160 V169 Y170 R172 L179	K156-A158 PolarHBondContact O-N 3.02Å; A158-K160 PolarHBondContact O-N 2.89Å; A158-V169 HydrophobicContact CB-CG1 4.26Å; A158-V169 WeakPolarHBondContact O-CG1 3.49Å; A158-Y170 WeakPolarHBondContact CB-O 3.38Å; A158-R172 HydrophobicContact CB-CG 4.21Å; A158-L179 HydrophobicContact CB-CD1 3.44Å; A158-L179 VanDerWaalsContact CB-CD1 3.44Å
159	T	45.5	Very low	47.4	Very low	85 Å²	85	74.6 Å²	74.6	52%	0.521	40%	0.398	S	S	.	.			trans	-50	124.1	-175.4	38.4	0	0	0	0	112.4
160	K	41.6	Very low	47.6	Very low	143 Å²	143	76.2 Å²	76.2	62%	0.622	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-62	139.8	174.7	-76.2	-179.9	177.5	176	0	111.3	A158 D162 V169	A158-K160 PolarHBondContact O-N 2.89Å; K160-D162 PolarHBondContact O-N 3.07Å; K160-V169 HydrophobicContact CG-CG2 4.15Å
161	F	47.8	Very low	47.6	Very low	32 Å²	32	71.5 Å²	71.5	14%	0.14	38%	0.382	C	S	.	.			trans	-74.5	110.1	154.8	-96.4	-95.1	0	0	0	108.2	Q164 Y165 C168 Y170	F161-Q164 HydrophobicContact CD1-CB 3.93Å; F161-Q164 HydrophobicContact CE1-CB 3.89Å; F161-Y165 VanDerWaalsContact CB-O 3.3Å; F161-Y165 WeakPolarHBondContact CB-O 3.48Å; F161-Y165 AromaticContact CD1-CD2 3.97Å; F161-Y165 HydrophobicContact CD1-CD2 3.97Å; F161-Y165 AromaticContact CE1-CD2 3.66Å; F161-Y165 HydrophobicContact CE1-CD2 3.66Å; F161-Y165 HydrophobicContact CE1-CE2 4.26Å; F161-Y165 HydrophobicContact CZ-CD2 4.02Å; F161-C168 HydrophobicContact CB-CB 4.43Å; F161-C168 HydrophobicContact CD2-CB 4.34Å; F161-C168 PolarHBondContact N-O 3.2Å; F161-Y170 HydrophobicContact CD2-CD2 4.36Å; F161-Y170 HydrophobicContact CD2-CE2 4.01Å; F161-Y170 HydrophobicContact CE2-CD2 4.02Å; F161-Y170 HydrophobicContact CE2-CE1 4.01Å; F161-Y170 AromaticContact CE2-CE2 3.34Å; F161-Y170 HydrophobicContact CE2-CE2 3.34Å; F161-Y170 AromaticContact CE2-CZ 3.34Å; F161-Y170 WeakPolarHBondContact CE2-OH 3.31Å; F161-Y170 AromaticContact CZ-CE2 3.92Å; F161-Y170 HydrophobicContact CZ-CE2 3.92Å; F161-Y170 AromaticContact CZ-CZ 3.71Å; F161-Y170 VanDerWaalsContact CZ-OH 3.27Å; F161-Y170 WeakPolarHBondContact CZ-OH 3.49Å
162	D	40.4	Very low	47.7	Very low	143 Å²	143	74.8 Å²	74.8	77%	0.765	39%	0.389	S	S	*	.	S	Bend	trans	-96.7	-17.6	166.3	-87.5	-15	0	0	0	113.3	K160	K160-D162 PolarHBondContact O-N 3.07Å
163	A	42.7	Very low	47.8	Very low	104 Å²	104	77.4 Å²	77.4	86%	0.86	40%	0.399	S	S	*	.	S	Bend	trans	-98.9	-45.9	-172.8	0	0	0	0	0	115.3
164	Q	40	Very low	48.1	Very low	137 Å²	137	82 Å²	82	64%	0.64	42%	0.419	S	S	*	.	S	Bend	trans	-107.9	-29.8	-165.6	-160.9	162.3	7.3	0	0	115	F161	F161-Q164 HydrophobicContact CD1-CB 3.93Å; F161-Q164 HydrophobicContact CE1-CB 3.89Å
165	Y	44.4	Very low	48.1	Very low	92 Å²	92	84.5 Å²	84.5	36%	0.361	43%	0.432	S	S	.	.	S	Bend	trans	-141.8	86.2	177.6	-58.1	-75.6	0	0	0	110.1	F161 G167 C168 W196	F161-Y165 VanDerWaalsContact CB-O 3.3Å; F161-Y165 WeakPolarHBondContact CB-O 3.48Å; F161-Y165 AromaticContact CD1-CD2 3.97Å; F161-Y165 HydrophobicContact CD1-CD2 3.97Å; F161-Y165 AromaticContact CE1-CD2 3.66Å; F161-Y165 HydrophobicContact CE1-CD2 3.66Å; F161-Y165 HydrophobicContact CE1-CE2 4.26Å; F161-Y165 HydrophobicContact CZ-CD2 4.02Å; Y165-G167 PolarHBondContact O-N 3.48Å; Y165-C168 VanDerWaalsContact CB-SG 3.53Å; Y165-C168 WeakPolarHBondContact O-CB 3.4Å; Y165-C168 PolarHBondContact O-N 2.71Å; Y165-C168 VanDerWaalsContact O-N 3.14Å; Y165-W196 HydrophobicContact CD1-CH2 4.08Å; Y165-W196 HydrophobicContact CD1-CZ2 4.1Å
166	P	44.8	Very low	48.5	Very low	88 Å²	88	83.9 Å²	83.9	57%	0.571	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	132.8	-178.8	21.2	-30.3	0	0	0	110.7
167	G	49.3	Very low	48.8	Very low	44 Å²	44	77.8 Å²	77.8	45%	0.454	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	3.5	-178.2	0	0	0	0	0	115.1	Y165 C186 K187	Y165-G167 PolarHBondContact O-N 3.48Å; G167-C186 WeakPolarHBondContact O-CA 3.47Å; G167-K187 PolarHBondContact O-N 2.03Å
168	C	47.8	Very low	49.1	Very low	1 Å²	1	77.4 Å²	77.4	1%	0.007	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	145	172.7	-59	0	0	0	0	112.5	F161 Y165 F184 S185 C186	F161-C168 HydrophobicContact CB-CB 4.43Å; F161-C168 HydrophobicContact CD2-CB 4.34Å; F161-C168 PolarHBondContact N-O 3.2Å; Y165-C168 VanDerWaalsContact CB-SG 3.53Å; Y165-C168 WeakPolarHBondContact O-CB 3.4Å; Y165-C168 PolarHBondContact O-N 2.71Å; Y165-C168 VanDerWaalsContact O-N 3.14Å; C168-F184 HydrophobicContact CB-CD2 4.4Å; C168-S185 CarbonylContact C-O 3Å; C168-S185 WeakPolarHBondContact CA-O 3.25Å; C168-C186 HydrophobicContact CB-CB 4.07Å; C168-C186 WeakPolarHBondContact CB-SG 3.45Å; C168-C186 WeakPolarHBondContact SG-CB 3.44Å; C168-C186 CovalentContact SG-SG 2.03Å; C168-C186 PolarHBondContact SG-SG 3.31Å
169	V	51.2	Low	49.1	Very low	30 Å²	30	80.3 Å²	80.3	18%	0.182	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	131	-178.3	172.5	0	0	0	0	109.3	A158 K160 F184 S185	A158-V169 HydrophobicContact CB-CG1 4.26Å; A158-V169 WeakPolarHBondContact O-CG1 3.49Å; K160-V169 HydrophobicContact CG-CG2 4.15Å; V169-F184 CarbonylContact O-C 3.24Å; V169-F184 WeakPolarHBondContact O-CA 3.41Å; V169-F184 WeakPolarHBondContact O-CB 3.3Å; V169-S185 PolarHBondContact N-O 3.01Å; V169-S185 PolarHBondContact O-N 3.11Å
170	Y	52.6	Low	49.2	Very low	59 Å²	59	76.9 Å²	76.9	23%	0.231	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	152.5	171.3	-79.6	-64.4	0	0	0	110.8	A158 F161 L179 N180 P181 L183 F184	A158-Y170 WeakPolarHBondContact CB-O 3.38Å; F161-Y170 HydrophobicContact CD2-CD2 4.36Å; F161-Y170 HydrophobicContact CD2-CE2 4.01Å; F161-Y170 HydrophobicContact CE2-CD2 4.02Å; F161-Y170 HydrophobicContact CE2-CE1 4.01Å; F161-Y170 AromaticContact CE2-CE2 3.34Å; F161-Y170 HydrophobicContact CE2-CE2 3.34Å; F161-Y170 AromaticContact CE2-CZ 3.34Å; F161-Y170 WeakPolarHBondContact CE2-OH 3.31Å; F161-Y170 AromaticContact CZ-CE2 3.92Å; F161-Y170 HydrophobicContact CZ-CE2 3.92Å; F161-Y170 AromaticContact CZ-CZ 3.71Å; F161-Y170 VanDerWaalsContact CZ-OH 3.27Å; F161-Y170 WeakPolarHBondContact CZ-OH 3.49Å; Y170-L179 HydrophobicContact CD2-CD2 4.21Å; Y170-L179 HydrophobicContact CG-CD2 4.14Å; Y170-L179 HydrophobicContact CG-CG 4.48Å; Y170-N180 WeakPolarHBondContact CD1-O 3.41Å; Y170-P181 WeakPolarHBondContact CE1-O 3.03Å; Y170-L183 CarbonylContact C-O 3.52Å; Y170-L183 WeakPolarHBondContact CA-O 3.37Å; Y170-L183 WeakPolarHBondContact CD1-O 3.43Å; Y170-F184 HydrophobicContact CD1-CB 4.24Å
171	L	48.1	Very low	49.4	Very low	10 Å²	10	73.6 Å²	73.6	5%	0.052	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	146.2	179.4	-62	169.1	0	0	0	110.8	I101 I153 N180 L183	I101-L171 HydrophobicContact CG2-CD1 4.5Å; I153-L171 HydrophobicContact CG2-CB 3.52Å; I153-L171 HydrophobicContact CG2-CD1 3.95Å; I153-L171 HydrophobicContact CG2-CD2 3.97Å; I153-L171 HydrophobicContact CG2-CG 4Å; L171-N180 PolarHBondContact O-N 2.81Å; L171-L183 HydrophobicContact CB-CB 4.24Å; L171-L183 HydrophobicContact CB-CD2 4.38Å; L171-L183 HydrophobicContact CD1-CD2 4.12Å; L171-L183 PolarHBondContact N-O 3.07Å
172	R	54.7	Low	49.2	Very low	103 Å²	103	79.2 Å²	79.2	39%	0.389	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.5	174	-70.5	175.4	-155.8	-122.4	8.8	110.6	I153 D154 A158 G177 K178 L179	I153-R172 WeakPolarHBondContact CA-O 3.32Å; D154-R172 PolarHBondContact N-O 3.39Å; A158-R172 HydrophobicContact CB-CG 4.21Å; R172-G177 WeakPolarHBondContact CD-O 3.44Å; R172-K178 WeakPolarHBondContact CA-O 3.36Å; R172-L179 HydrophobicContact CG-CD1 4.1Å
173	Y	51.3	Low	49.5	Very low	62 Å²	62	72.5 Å²	72.5	24%	0.243	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.7	165.8	-66.7	-71.8	0	0	0	110.2	L152 N175 T176 G177 K178 N180	L152-Y173 HydrophobicContact CD2-CD1 4.18Å; L152-Y173 HydrophobicContact CD2-CE1 4.24Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.98Å; Y173-T176 WeakPolarHBondContact CB-OG1 3.16Å; Y173-T176 PolarHBondContact O-N 3.26Å; Y173-G177 VanDerWaalsContact O-CA 3.31Å; Y173-G177 WeakPolarHBondContact O-CA 3.49Å; Y173-G177 PolarHBondContact O-N 3.44Å; Y173-K178 PolarHBondContact N-O 3.47Å; Y173-N180 HydrophobicContact CD2-CB 4.33Å; Y173-N180 HydrophobicContact CE2-CB 3.71Å; Y173-N180 PolarHBondContact OH-ND2 3.04Å
174	K	57.3	Low	49.7	Very low	101 Å²	101	69.5 Å²	69.5	44%	0.439	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-45.3	176.1	-85.2	-176.6	175	178.2	0	112.2	E150 L152 I153 D154 T176	E150-K174 WeakPolarHBondContact O-CD 3.41Å; E150-K174 WeakPolarHBondContact O-CE 3.41Å; E150-K174 PolarHBondContact O-NZ 3.31Å; L152-K174 PolarHBondContact O-N 2.89Å; L152-K174 VanDerWaalsContact O-N 3.16Å; I153-K174 WeakPolarHBondContact O-CE 3.41Å; D154-K174 HydrophobicContact CB-CG 3.8Å; K174-T176 VanDerWaalsContact C-N 3.34Å; K174-T176 PolarHBondContact O-N 3.14Å
175	N	53.8	Low	50	Low	110 Å²	110	64.5 Å²	64.5	59%	0.588	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.8	-172.3	-66.9	-8.5	0	0	0	114.3	Y146 Y173	Y146-N175 PolarHBondContact OH-ND2 3.18Å; Y146-N175 VanDerWaalsContact OH-ND2 3.1Å; Y173-N175 VanDerWaalsContact C-N 3.3Å; Y173-N175 PolarHBondContact O-N 2.98Å
176	T	56.7	Low	49.9	Very low	86 Å²	86	60.4 Å²	60.4	53%	0.528	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-13.6	-175.6	64.7	0	0	0	0	113.5	Y173 K174 K178	Y173-T176 WeakPolarHBondContact CB-OG1 3.16Å; Y173-T176 PolarHBondContact O-N 3.26Å; K174-T176 VanDerWaalsContact C-N 3.34Å; K174-T176 PolarHBondContact O-N 3.14Å; T176-K178 PolarHBondContact O-N 3.39Å; T176-K178 WeakPolarHBondContact OG1-CB 3.48Å; T176-K178 PolarHBondContact OG1-N 2.67Å
177	G	55.5	Low	49.9	Very low	37 Å²	37	63.3 Å²	63.3	38%	0.381	32%	0.321	S	S	.	.			trans	63.1	2.7	-170.2	0	0	0	0	0	114.4	R172 Y173	R172-G177 WeakPolarHBondContact CD-O 3.44Å; Y173-G177 VanDerWaalsContact O-CA 3.31Å; Y173-G177 WeakPolarHBondContact O-CA 3.49Å; Y173-G177 PolarHBondContact O-N 3.44Å
178	K	55.6	Low	49.6	Very low	151 Å²	151	63.2 Å²	63.2	66%	0.657	31%	0.31	S	S	*	.			trans	-77	134.3	-177.7	-68.4	-174.3	177.7	-176.8	0	110.5	R172 Y173 T176	R172-K178 WeakPolarHBondContact CA-O 3.36Å; Y173-K178 PolarHBondContact N-O 3.47Å; T176-K178 PolarHBondContact O-N 3.39Å; T176-K178 WeakPolarHBondContact OG1-CB 3.48Å; T176-K178 PolarHBondContact OG1-N 2.67Å
179	L	49.1	Very low	49.2	Very low	69 Å²	69	66 Å²	66	36%	0.361	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134.8	171.6	-158.7	90.3	0	0	0	109.5	A158 Y170 R172	A158-L179 HydrophobicContact CB-CD1 3.44Å; A158-L179 VanDerWaalsContact CB-CD1 3.44Å; Y170-L179 HydrophobicContact CD2-CD2 4.21Å; Y170-L179 HydrophobicContact CG-CD2 4.14Å; Y170-L179 HydrophobicContact CG-CG 4.48Å; R172-L179 HydrophobicContact CG-CD1 4.1Å
180	N	48	Very low	48.7	Very low	13 Å²	13	68.9 Å²	68.9	7%	0.07	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.9	169.8	-175	-8.3	0	0	0	109.8	Y170 L171 Y173 Y182 L183	Y170-N180 WeakPolarHBondContact CD1-O 3.41Å; L171-N180 PolarHBondContact O-N 2.81Å; Y173-N180 HydrophobicContact CD2-CB 4.33Å; Y173-N180 HydrophobicContact CE2-CB 3.71Å; Y173-N180 PolarHBondContact OH-ND2 3.04Å; N180-Y182 PolarHBondContact O-N 3.32Å; N180-Y182 VanDerWaalsContact O-N 3.07Å; N180-Y182 WeakPolarHBondContact OD1-CD2 3Å; N180-Y182 PolarHBondContact OD1-N 3.32Å; N180-L183 HydrophobicContact CB-CB 4.03Å; N180-L183 PolarHBondContact O-N 2.81Å; N180-L183 VanDerWaalsContact O-N 3.11Å
181	P	47.1	Very low	47.9	Very low	73 Å²	73	69.1 Å²	69.1	47%	0.474	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-3.4	-177.9	29.6	-35.3	0	0	0	114	Y170	Y170-P181 WeakPolarHBondContact CE1-O 3.03Å
182	Y	43.9	Very low	47.2	Very low	150 Å²	150	72.2 Å²	72.2	59%	0.588	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	-4.2	175.7	-53.6	-73.3	0	0	0	112.8	T104 N180	T104-Y182 CarbonylContact C-O 3.13Å; T104-Y182 PolarHBondContact OG1-O 3.07Å; N180-Y182 PolarHBondContact O-N 3.32Å; N180-Y182 VanDerWaalsContact O-N 3.07Å; N180-Y182 WeakPolarHBondContact OD1-CD2 3Å; N180-Y182 PolarHBondContact OD1-N 3.32Å
183	L	45	Very low	46.3	Very low	2 Å²	2	70 Å²	70	1%	0.01	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.1	-178	-117	88.8	0	0	0	111.3	L103 L106 I153 Y170 L171 N180	L103-L183 HydrophobicContact CD2-CD1 4.24Å; L103-L183 HydrophobicContact CD2-CD2 3.56Å; L103-L183 HydrophobicContact CD2-CG 3.68Å; L106-L183 HydrophobicContact CD1-CD1 3.36Å; L106-L183 HydrophobicContact CD1-CD2 4.01Å; L106-L183 HydrophobicContact CD1-CG 4.23Å; L106-L183 HydrophobicContact CD2-CD1 4.27Å; L106-L183 HydrophobicContact CG-CD1 3.44Å; L106-L183 VanDerWaalsContact CG-CD1 3.44Å; I153-L183 HydrophobicContact CD1-CD2 3.24Å; I153-L183 HydrophobicContact CG1-CD2 3.85Å; Y170-L183 CarbonylContact C-O 3.52Å; Y170-L183 WeakPolarHBondContact CA-O 3.37Å; Y170-L183 WeakPolarHBondContact CD1-O 3.43Å; L171-L183 HydrophobicContact CB-CB 4.24Å; L171-L183 HydrophobicContact CB-CD2 4.38Å; L171-L183 HydrophobicContact CD1-CD2 4.12Å; L171-L183 PolarHBondContact N-O 3.07Å; N180-L183 HydrophobicContact CB-CB 4.03Å; N180-L183 PolarHBondContact O-N 2.81Å; N180-L183 VanDerWaalsContact O-N 3.11Å
184	F	48.1	Very low	45.3	Very low	41 Å²	41	74.1 Å²	74.1	18%	0.18	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	145.9	177.8	57.7	-88.7	0	0	0	111.1	F102 T104 C168 V169 Y170 C186	F102-F184 HydrophobicContact CB-CD2 4.25Å; F102-F184 HydrophobicContact CB-CE2 3.75Å; F102-F184 HydrophobicContact CB-CZ 4.13Å; F102-F184 HydrophobicContact CG-CE2 4.31Å; T104-F184 HydrophobicContact CG2-CE1 4.43Å; C168-F184 HydrophobicContact CB-CD2 4.4Å; V169-F184 CarbonylContact O-C 3.24Å; V169-F184 WeakPolarHBondContact O-CA 3.41Å; V169-F184 WeakPolarHBondContact O-CB 3.3Å; Y170-F184 HydrophobicContact CD1-CB 4.24Å; F184-C186 VanDerWaalsContact CD2-SG 3.53Å
185	S	45.9	Very low	44	Very low	33 Å²	33	75.5 Å²	75.5	23%	0.231	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.1	172.3	-179.5	0	0	0	0	108.9	C168 V169	C168-S185 CarbonylContact C-O 3Å; C168-S185 WeakPolarHBondContact CA-O 3.25Å; V169-S185 PolarHBondContact N-O 3.01Å; V169-S185 PolarHBondContact O-N 3.11Å
186	C	42	Very low	42.8	Very low	5 Å²	5	76 Å²	76	3%	0.034	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132	179.5	-53.5	0	0	0	0	111.6	G167 C168 F184 I188	G167-C186 WeakPolarHBondContact O-CA 3.47Å; C168-C186 HydrophobicContact CB-CB 4.07Å; C168-C186 WeakPolarHBondContact CB-SG 3.45Å; C168-C186 WeakPolarHBondContact SG-CB 3.44Å; C168-C186 CovalentContact SG-SG 2.03Å; C168-C186 PolarHBondContact SG-SG 3.31Å; F184-C186 VanDerWaalsContact CD2-SG 3.53Å; C186-I188 HydrophobicContact CB-CD1 3.5Å; C186-I188 HydrophobicContact CB-CG1 3.59Å; C186-I188 PolarHBondContact O-N 3.49Å
187	K	46.1	Very low	41.5	Very low	149 Å²	149	79.3 Å²	79.3	65%	0.648	40%	0.402	S	S	*	.			trans	-91.9	87.4	167.6	-72.9	-168	175.9	-155.9	0	109.5	E99 G167	E99-K187 WeakPolarHBondContact OE1-CE 3.2Å; E99-K187 IonicContact OE1-NZ 2.9Å; E99-K187 PolarHBondContact OE1-NZ 3.24Å; G167-K187 PolarHBondContact O-N 2.03Å
188	I	42.4	Very low	40.1	Very low	42 Å²	42	81.7 Å²	81.7	22%	0.215	41%	0.41	C	S	.	.			trans	-112.8	137	-176	-57.9	175.6	0	0	0	109.5	C186 Q192 I193 W196	C186-I188 HydrophobicContact CB-CD1 3.5Å; C186-I188 HydrophobicContact CB-CG1 3.59Å; C186-I188 PolarHBondContact O-N 3.49Å; I188-Q192 HydrophobicContact CG2-CB 3.35Å; I188-Q192 HydrophobicContact CG2-CG 4.36Å; I188-I193 HydrophobicContact CG2-CG1 4.17Å; I188-W196 HydrophobicContact CD1-CH2 3.74Å; I188-W196 HydrophobicContact CD1-CZ2 4.38Å; I188-W196 HydrophobicContact CD1-CZ3 4.09Å
189	S	39.7	Very low	38.7	Very low	59 Å²	59	83.7 Å²	83.7	41%	0.413	42%	0.422	S	S	.	.			trans	-81.4	156.7	174.7	72.9	0	0	0	0	112.2	A191 Q192 I193	S189-A191 PolarHBondContact O-N 3.45Å; S189-A191 VanDerWaalsContact O-N 3.15Å; S189-Q192 WeakPolarHBondContact O-CA 3.37Å; S189-Q192 WeakPolarHBondContact O-CB 3.01Å; S189-Q192 PolarHBondContact O-N 3.02Å; S189-Q192 PolarHBondContact OG-N 3.1Å; S189-I193 PolarHBondContact O-N 3.39Å
190	V	39.2	Very low	37.5	Very low	91 Å²	91	84.4 Å²	84.4	55%	0.552	44%	0.438	S	S	*	.	H	α-helix	trans	-56.9	-31.2	173.7	-179.3	0	0	0	0	111.9	I193 K194	V190-I193 WeakPolarHBondContact O-CB 3.03Å; V190-I193 PolarHBondContact O-N 3.15Å; V190-K194 PolarHBondContact O-N 3.37Å
191	A	35.5	Very low	36.5	Very low	64 Å²	64	85.9 Å²	85.9	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-65.7	-39.9	174.1	0	0	0	0	0	112.2	S189 I193 K194 I195	S189-A191 PolarHBondContact O-N 3.45Å; S189-A191 VanDerWaalsContact O-N 3.15Å; A191-I193 VanDerWaalsContact C-N 3.31Å; A191-I193 PolarHBondContact O-N 3.06Å; A191-K194 WeakPolarHBondContact O-CB 3.41Å; A191-K194 PolarHBondContact O-N 3.44Å; A191-I195 PolarHBondContact O-N 3.08Å
192	Q	34.7	Very low	35.4	Very low	75 Å²	75	87.4 Å²	87.4	35%	0.35	46%	0.464	S	S	.	.	H	α-helix	trans	-67.1	-31.5	172.7	-74.8	176.9	-35.4	0	0	112.1	I188 S189 I195 W196	I188-Q192 HydrophobicContact CG2-CB 3.35Å; I188-Q192 HydrophobicContact CG2-CG 4.36Å; S189-Q192 WeakPolarHBondContact O-CA 3.37Å; S189-Q192 WeakPolarHBondContact O-CB 3.01Å; S189-Q192 PolarHBondContact O-N 3.02Å; S189-Q192 PolarHBondContact OG-N 3.1Å; Q192-I195 WeakPolarHBondContact O-CB 3.27Å; Q192-I195 PolarHBondContact O-N 3.12Å; Q192-W196 PolarHBondContact O-N 3.11Å
193	I	35.1	Very low	34.8	Very low	57 Å²	57	81.6 Å²	81.6	29%	0.292	45%	0.45	S	S	.	.	H	α-helix	trans	-64.6	-39.8	172.2	-60.3	174.1	0	0	0	111.2	M100 I188 S189 V190 A191 I195 W196 F197	M100-I193 HydrophobicContact CE-CD1 3.72Å; I188-I193 HydrophobicContact CG2-CG1 4.17Å; S189-I193 PolarHBondContact O-N 3.39Å; V190-I193 WeakPolarHBondContact O-CB 3.03Å; V190-I193 PolarHBondContact O-N 3.15Å; A191-I193 VanDerWaalsContact C-N 3.31Å; A191-I193 PolarHBondContact O-N 3.06Å; I193-I195 VanDerWaalsContact C-N 3.27Å; I193-I195 PolarHBondContact O-N 3.37Å; I193-W196 PolarHBondContact O-N 3.05Å; I193-F197 HydrophobicContact CG2-CD2 4.31Å; I193-F197 PolarHBondContact O-N 3.44Å
194	K	29.7	Very low	34.4	Very low	149 Å²	149	82.9 Å²	82.9	65%	0.648	46%	0.458	S	S	*	.	H	α-helix	trans	-61.2	-32.8	174.6	-85.9	-175.7	174.7	-177.5	0	113.1	V190 A191 W196 F197	V190-K194 PolarHBondContact O-N 3.37Å; A191-K194 WeakPolarHBondContact O-CB 3.41Å; A191-K194 PolarHBondContact O-N 3.44Å; K194-W196 PolarHBondContact O-N 3.4Å; K194-F197 CarbonylContact O-C 3.49Å; K194-F197 PolarHBondContact O-N 3.3Å
195	I	31.7	Very low	34.3	Very low	130 Å²	130	86.3 Å²	86.3	67%	0.667	48%	0.484	S	S	*	.	H	α-helix	trans	-64.9	-32	174.7	-63.1	171.4	0	0	0	110.4	A191 Q192 I193	A191-I195 PolarHBondContact O-N 3.08Å; Q192-I195 WeakPolarHBondContact O-CB 3.27Å; Q192-I195 PolarHBondContact O-N 3.12Å; I193-I195 VanDerWaalsContact C-N 3.27Å; I193-I195 PolarHBondContact O-N 3.37Å
196	W	28.5	Very low	34.4	Very low	120 Å²	120	85.5 Å²	85.5	46%	0.455	48%	0.478	S	S	.	.	H	α-helix	trans	-81.8	-21.3	-180	-69.3	4.9	0	0	0	113.7	Y165 I188 Q192 I193 K194	Y165-W196 HydrophobicContact CD1-CH2 4.08Å; Y165-W196 HydrophobicContact CD1-CZ2 4.1Å; I188-W196 HydrophobicContact CD1-CH2 3.74Å; I188-W196 HydrophobicContact CD1-CZ2 4.38Å; I188-W196 HydrophobicContact CD1-CZ3 4.09Å; Q192-W196 PolarHBondContact O-N 3.11Å; I193-W196 PolarHBondContact O-N 3.05Å; K194-W196 PolarHBondContact O-N 3.4Å
197	F	28.4	Very low	35	Very low	156 Å²	156	92.5 Å²	92.5	68%	0.684	51%	0.508	S	S	*	.	S	Bend	trans	-140.3	84.9	-176	-57.7	-78.1	0	0	0	113.5	I193 K194	I193-F197 HydrophobicContact CG2-CD2 4.31Å; I193-F197 PolarHBondContact O-N 3.44Å; K194-F197 CarbonylContact O-C 3.49Å; K194-F197 PolarHBondContact O-N 3.3Å
198	P	27	Very low	35.5	Very low	86 Å²	86	90.1 Å²	90.1	56%	0.558	50%	0.499	S	S	*	.			trans	-80.3	153.3	177.9	-9.5	27.7	0	0	0	113.3
199	Q	26.5	Very low	35.8	Very low	193 Å²	193	88.6 Å²	88.6	90%	0.902	49%	0.492	S	S	*	.			trans	-62.9	143.3	-169.8	-61.2	-179	-23.4	0	0	114.5
200	A	24	Very low	36.3	Very low	85 Å²	85	89.2 Å²	89.2	70%	0.702	49%	0.494	S	S	*	.			trans	-108.5	133.1	-173.7	0	0	0	0	0	113.3	E216	A200-E216 WeakPolarHBondContact CA-OE1 2.96Å; A200-E216 WeakPolarHBondContact CB-OE1 3.12Å
201	G	25.6	Very low	36.5	Very low	44 Å²	44	89.3 Å²	89.3	45%	0.454	49%	0.487	S	S	.	.			trans	141	155	164	0	0	0	0	0	116.5
202	V	25.5	Very low	36.9	Very low	105 Å²	105	91.8 Å²	91.8	64%	0.636	50%	0.5	S	S	*	.	B	Isolated β-bridge	trans	87.1	133.3	-174.2	-170	0	0	0	0	111.2	K215 E216 W217	V202-K215 CarbonylContact C-O 3.54Å; V202-K215 PolarHBondContact N-O 2.64Å; V202-K215 CarbonylContact O-C 3.59Å; V202-K215 VanDerWaalsContact O-C 3.23Å; V202-E216 CarbonylContact O-C 3.5Å; V202-E216 WeakPolarHBondContact O-CA 3.37Å; V202-E216 PolarHBondContact O-N 3.2Å; V202-W217 HydrophobicContact CB-CB 4.48Å; V202-W217 HydrophobicContact CG1-CB 4.24Å; V202-W217 HydrophobicContact CG1-CE3 4.18Å; V202-W217 WeakPolarHBondContact O-CA 3.38Å; V202-W217 WeakPolarHBondContact O-CB 3.34Å; V202-W217 PolarHBondContact O-N 2.97Å
203	G	31	Very low	37.1	Very low	28 Å²	28	94.2 Å²	94.2	29%	0.289	52%	0.516	S	S	.	.			trans	-121.7	137.2	-164.1	0	0	0	0	0	118.3	W217	G203-W217 VanDerWaalsContact O-CE3 3.24Å
204	V	36.9	Very low	37.1	Very low	29 Å²	29	93.5 Å²	93.5	18%	0.176	52%	0.515	C	S	.	.			trans	-135.2	142.3	167.4	152.2	0	0	0	0	109	C206 W217	V204-C206 PolarHBondContact O-N 2.57Å; V204-C206 VanDerWaalsContact O-N 3.08Å; V204-W217 HydrophobicContact CB-CB 3.94Å; V204-W217 HydrophobicContact CB-CD2 3.94Å; V204-W217 HydrophobicContact CB-CE3 4.31Å; V204-W217 HydrophobicContact CB-CG 3.79Å; V204-W217 HydrophobicContact CG2-CB 4.06Å; V204-W217 HydrophobicContact CG2-CD2 3.05Å; V204-W217 HydrophobicContact CG2-CE3 3.27Å; V204-W217 HydrophobicContact CG2-CG 3.45Å; V204-W217 VanDerWaalsContact CG2-CG 3.45Å; V204-W217 HydrophobicContact CG2-CH2 3.73Å; V204-W217 HydrophobicContact CG2-CZ2 3.62Å; V204-W217 HydrophobicContact CG2-CZ3 3.57Å
205	P	45.2	Very low	37.2	Very low	113 Å²	113	94.5 Å²	94.5	73%	0.734	52%	0.519	S	S	*	.			trans	-75	97.2	-175	28.9	-35.3	0	0	0	112
206	C	47.3	Very low	37.2	Very low	16 Å²	16	91 Å²	91	11%	0.108	50%	0.5	C	S	.	.			trans	-88.2	124.6	171	-54.5	0	0	0	0	110.8	V204 C214 C222	V204-C206 PolarHBondContact O-N 2.57Å; V204-C206 VanDerWaalsContact O-N 3.08Å; C206-C214 WeakPolarHBondContact CB-SG 3.48Å; C206-C222 WeakPolarHBondContact CA-SG 3.44Å; C206-C222 HydrophobicContact CB-CB 3.41Å; C206-C222 VanDerWaalsContact CB-CB 3.41Å; C206-C222 WeakPolarHBondContact CB-SG 3.05Å; C206-C222 WeakPolarHBondContact SG-CA 2.85Å; C206-C222 WeakPolarHBondContact SG-CB 3.44Å; C206-C222 CovalentContact SG-SG 2.01Å; C206-C222 PolarHBondContact SG-SG 3.29Å
207	K	54.7	Low	37.3	Very low	151 Å²	151	91.6 Å²	91.6	66%	0.657	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	129	172.4	-76.5	-171.3	176.1	-179	0	109	S209 Y232 C233	K207-S209 VanDerWaalsContact C-N 3.3Å; K207-S209 PolarHBondContact O-N 3.26Å; K207-Y232 PolarHBondContact N-O 3.36Å; K207-C233 CarbonylContact O-C 3.17Å; K207-C233 WeakPolarHBondContact O-CB 3.07Å
208	H	56	Low	37.9	Very low	100 Å²	100	87.1 Å²	87.1	46%	0.463	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	43.5	-176	-44.5	109.8	0	0	0	113.7	K225 Y228	H208-K225 WeakPolarHBondContact O-CA 3.31Å; H208-K225 WeakPolarHBondContact O-CB 3.49Å; H208-K225 PolarHBondContact O-N 3.36Å; H208-Y228 HydrophobicContact CB-CD1 3.88Å; H208-Y228 HydrophobicContact CB-CD2 3.85Å; H208-Y228 HydrophobicContact CB-CE1 4.05Å; H208-Y228 HydrophobicContact CB-CE2 4.02Å; H208-Y228 HydrophobicContact CB-CG 3.79Å; H208-Y228 AromaticContact CE1-CE1 3.91Å; H208-Y228 AromaticContact CG-CD1 3.96Å; H208-Y228 AromaticContact CG-CE1 3.68Å; H208-Y228 AromaticContact CG-CZ 3.8Å; H208-Y228 AromaticContact ND1-CD1 3.76Å; H208-Y228 AromaticContact ND1-CE1 3.44Å; H208-Y228 WeakPolarHBondContact ND1-CE1 3.32Å; H208-Y228 AromaticContact ND1-CZ 3.98Å
209	S	50.2	Low	38.5	Very low	9 Å²	9	85.9 Å²	85.9	6%	0.063	49%	0.494	C	S	.	.	B	Isolated β-bridge	trans	-65.2	151.6	165.3	156.6	0	0	0	0	110.9	K207 F211 C214 K223 K225	K207-S209 VanDerWaalsContact C-N 3.3Å; K207-S209 PolarHBondContact O-N 3.26Å; S209-F211 WeakPolarHBondContact CB-O 3.39Å; S209-F211 CarbonylContact O-C 3.58Å; S209-F211 PolarHBondContact O-N 2.8Å; S209-F211 VanDerWaalsContact O-N 3.07Å; S209-F211 PolarHBondContact OG-N 2.85Å; S209-F211 PolarHBondContact OG-O 3.02Å; S209-F211 VanDerWaalsContact OG-O 3.11Å; S209-C214 WeakPolarHBondContact CB-SG 3.34Å; S209-C214 PolarHBondContact OG-SG 2.72Å; S209-K223 CarbonylContact C-O 3.58Å; S209-K223 WeakPolarHBondContact CA-O 3.34Å; S209-K223 WeakPolarHBondContact CB-O 3.17Å; S209-K223 PolarHBondContact OG-O 3.04Å; S209-K225 VanDerWaalsContact C-N 3.34Å
210	T	49.8	Very low	39.2	Very low	73 Å²	73	82 Å²	82	45%	0.448	48%	0.479	S	S	.	.	S	Bend	trans	-53.9	-28.6	171.8	20.3	0	0	0	0	110.7	K223 C224	T210-K223 PolarHBondContact N-O 3.01Å; T210-K223 PolarHBondContact OG1-O 3.11Å; T210-C224 WeakPolarHBondContact CG2-O 3.41Å
211	F	43.7	Very low	40.1	Very low	93 Å²	93	84.8 Å²	84.8	41%	0.408	47%	0.472	S	S	.	.	S	Bend	trans	-95.5	111.1	174.2	-50.8	-75.8	0	0	0	107.7	S209 N213 K223	S209-F211 WeakPolarHBondContact CB-O 3.39Å; S209-F211 CarbonylContact O-C 3.58Å; S209-F211 PolarHBondContact O-N 2.8Å; S209-F211 VanDerWaalsContact O-N 3.07Å; S209-F211 PolarHBondContact OG-N 2.85Å; S209-F211 PolarHBondContact OG-O 3.02Å; S209-F211 VanDerWaalsContact OG-O 3.11Å; F211-N213 PolarHBondContact O-N 3.39Å; F211-K223 HydrophobicContact CE2-CB 4.38Å; F211-K223 HydrophobicContact CE2-CD 4.14Å
212	S	44.1	Very low	41.2	Very low	115 Å²	115	83 Å²	83	80%	0.804	45%	0.453	S	S	*	.	S	Bend	trans	-58.7	-8	169.4	44	0	0	0	0	113.1
213	N	37.7	Very low	42.4	Very low	127 Å²	127	82.7 Å²	82.7	68%	0.679	44%	0.443	S	S	*	.	S	Bend	trans	-123	62	-173.3	-41.8	7.5	0	0	0	107.1	F211 K215	F211-N213 PolarHBondContact O-N 3.39Å; N213-K215 VanDerWaalsContact C-N 3.34Å; N213-K215 PolarHBondContact O-N 3.37Å
214	C	34.9	Very low	43.5	Very low	42 Å²	42	82.8 Å²	82.8	28%	0.284	44%	0.439	S	S	.	.			trans	-62.1	101.8	170.4	-99.9	0	0	0	0	109.7	C206 S209	C206-C214 WeakPolarHBondContact CB-SG 3.48Å; S209-C214 WeakPolarHBondContact CB-SG 3.34Å; S209-C214 PolarHBondContact OG-SG 2.72Å
215	K	31.9	Very low	44.5	Very low	170 Å²	170	85.5 Å²	85.5	74%	0.739	45%	0.448	S	S	*	.			trans	-128.1	46.8	137.2	-145.6	174.8	-172.9	-178.7	0	108.9	V202 N213	V202-K215 CarbonylContact C-O 3.54Å; V202-K215 PolarHBondContact N-O 2.64Å; V202-K215 CarbonylContact O-C 3.59Å; V202-K215 VanDerWaalsContact O-C 3.23Å; N213-K215 VanDerWaalsContact C-N 3.34Å; N213-K215 PolarHBondContact O-N 3.37Å
216	E	32.8	Very low	44.8	Very low	55 Å²	55	82.1 Å²	82.1	26%	0.257	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-131.4	93	-179.2	-139.9	171.6	-118.6	0	0	111.4	A200 V202	A200-E216 WeakPolarHBondContact CA-OE1 2.96Å; A200-E216 WeakPolarHBondContact CB-OE1 3.12Å; V202-E216 CarbonylContact O-C 3.5Å; V202-E216 WeakPolarHBondContact O-CA 3.37Å; V202-E216 PolarHBondContact O-N 3.2Å
217	W	30	Very low	44.8	Very low	133 Å²	133	81.9 Å²	81.9	50%	0.504	43%	0.43	S	S	.	.			trans	-87.5	116.7	168.1	-170.1	-15.4	0	0	0	106.1	V202 G203 V204	V202-W217 HydrophobicContact CB-CB 4.48Å; V202-W217 HydrophobicContact CG1-CB 4.24Å; V202-W217 HydrophobicContact CG1-CE3 4.18Å; V202-W217 WeakPolarHBondContact O-CA 3.38Å; V202-W217 WeakPolarHBondContact O-CB 3.34Å; V202-W217 PolarHBondContact O-N 2.97Å; G203-W217 VanDerWaalsContact O-CE3 3.24Å; V204-W217 HydrophobicContact CB-CB 3.94Å; V204-W217 HydrophobicContact CB-CD2 3.94Å; V204-W217 HydrophobicContact CB-CE3 4.31Å; V204-W217 HydrophobicContact CB-CG 3.79Å; V204-W217 HydrophobicContact CG2-CB 4.06Å; V204-W217 HydrophobicContact CG2-CD2 3.05Å; V204-W217 HydrophobicContact CG2-CE3 3.27Å; V204-W217 HydrophobicContact CG2-CG 3.45Å; V204-W217 VanDerWaalsContact CG2-CG 3.45Å; V204-W217 HydrophobicContact CG2-CH2 3.73Å; V204-W217 HydrophobicContact CG2-CZ2 3.62Å; V204-W217 HydrophobicContact CG2-CZ3 3.57Å
218	S	41.7	Very low	44.9	Very low	62 Å²	62	78 Å²	78	43%	0.434	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-112.1	88.6	165.8	-169.3	0	0	0	0	107.5	D220 Y221	S218-D220 PolarHBondContact O-N 3.08Å; S218-Y221 PolarHBondContact O-N 2.01Å
219	G	38	Very low	45	Very low	61 Å²	61	76.2 Å²	76.2	63%	0.629	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	-54.1	163.1	0	0	0	0	0	118.2
220	D	41.4	Very low	45	Very low	110 Å²	110	77 Å²	77	59%	0.588	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.6	2.8	-176.7	-107.5	-42.3	0	0	0	115.2	S218 K231	S218-D220 PolarHBondContact O-N 3.08Å; D220-K231 WeakPolarHBondContact O-CE 3.42Å; D220-K231 WeakPolarHBondContact O-CG 3.21Å; D220-K231 IonicContact OD1-NZ 2.8Å; D220-K231 PolarHBondContact OD1-NZ 3.12Å
221	Y	42.8	Very low	45.3	Very low	144 Å²	144	78.4 Å²	78.4	57%	0.565	41%	0.413	S	S	*	.	B	Isolated β-bridge	trans	-150.7	146.7	179.4	61.7	-83.6	0	0	0	113	S218	S218-Y221 PolarHBondContact O-N 2.01Å
222	C	49	Very low	45.8	Very low	7 Å²	7	79.7 Å²	79.7	5%	0.047	42%	0.417	C	S	.	.			trans	-79.8	139.7	173.8	-75.8	0	0	0	0	111.8	C206 C224 K231 C233	C206-C222 WeakPolarHBondContact CA-SG 3.44Å; C206-C222 HydrophobicContact CB-CB 3.41Å; C206-C222 VanDerWaalsContact CB-CB 3.41Å; C206-C222 WeakPolarHBondContact CB-SG 3.05Å; C206-C222 WeakPolarHBondContact SG-CA 2.85Å; C206-C222 WeakPolarHBondContact SG-CB 3.44Å; C206-C222 CovalentContact SG-SG 2.01Å; C206-C222 PolarHBondContact SG-SG 3.29Å; C222-C224 PolarHBondContact O-N 3.22Å; C222-K231 WeakPolarHBondContact CB-O 3.32Å; C222-K231 PolarHBondContact N-O 3.41Å; C222-C233 HydrophobicContact CB-CB 4.33Å; C222-C233 WeakPolarHBondContact CB-SG 2.9Å; C222-C233 PolarHBondContact O-SG 3.17Å; C222-C233 VanDerWaalsContact O-SG 3.39Å
223	K	51.1	Low	46.6	Very low	99 Å²	99	74.2 Å²	74.2	43%	0.43	38%	0.378	S	S	.	.			trans	-80.6	107.6	166.5	-86.7	-174.9	178.8	174.9	0	109.5	S209 T210 F211	S209-K223 CarbonylContact C-O 3.58Å; S209-K223 WeakPolarHBondContact CA-O 3.34Å; S209-K223 WeakPolarHBondContact CB-O 3.17Å; S209-K223 PolarHBondContact OG-O 3.04Å; T210-K223 PolarHBondContact N-O 3.01Å; T210-K223 PolarHBondContact OG1-O 3.11Å; F211-K223 HydrophobicContact CE2-CB 4.38Å; F211-K223 HydrophobicContact CE2-CD 4.14Å
224	C	53.9	Low	47.3	Very low	29 Å²	29	72.6 Å²	72.6	20%	0.196	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-79.8	142.1	-172.8	-51.6	0	0	0	0	112.2	T210 C222 A226 Y228 C233	T210-C224 WeakPolarHBondContact CG2-O 3.41Å; C222-C224 PolarHBondContact O-N 3.22Å; C224-A226 PolarHBondContact O-N 2.82Å; C224-Y228 VanDerWaalsContact CB-C 3.43Å; C224-Y228 WeakPolarHBondContact CB-O 3.49Å; C224-C233 WeakPolarHBondContact CA-SG 3.42Å; C224-C233 HydrophobicContact CB-CB 3.56Å; C224-C233 WeakPolarHBondContact CB-SG 3.48Å; C224-C233 PolarHBondContact N-SG 3.44Å; C224-C233 WeakPolarHBondContact SG-CA 3.32Å; C224-C233 WeakPolarHBondContact SG-CB 3.23Å; C224-C233 CovalentContact SG-SG 2.02Å; C224-C233 PolarHBondContact SG-SG 2.78Å
225	K	57.6	Low	48.2	Very low	87 Å²	87	76.3 Å²	76.3	38%	0.378	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-53	136.3	167.1	-168.9	172.5	-179.6	175.7	0	106.6	H208 S209 G227 Y228	H208-K225 WeakPolarHBondContact O-CA 3.31Å; H208-K225 WeakPolarHBondContact O-CB 3.49Å; H208-K225 PolarHBondContact O-N 3.36Å; S209-K225 VanDerWaalsContact C-N 3.34Å; K225-G227 PolarHBondContact O-N 2.8Å; K225-Y228 HydrophobicContact CB-CD2 4.15Å; K225-Y228 WeakPolarHBondContact O-CB 3.02Å; K225-Y228 PolarHBondContact O-N 2.75Å
226	A	52.5	Low	49.2	Very low	41 Å²	41	75 Å²	75	34%	0.339	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	132.5	175.1	0	0	0	0	0	110.2	C224 F256	C224-A226 PolarHBondContact O-N 2.82Å; A226-F256 HydrophobicContact CB-CB 4.48Å; A226-F256 HydrophobicContact CB-CD1 3.32Å; A226-F256 HydrophobicContact CB-CE1 3.86Å; A226-F256 HydrophobicContact CB-CG 4.3Å
227	G	46.7	Very low	50.2	Low	12 Å²	12	74.2 Å²	74.2	12%	0.124	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	7.2	-167.4	0	0	0	0	0	114.8	K225 K236 V237	K225-G227 PolarHBondContact O-N 2.8Å; G227-K236 CarbonylContact O-C 3.57Å; G227-K236 VanDerWaalsContact O-C 3.31Å; G227-K236 WeakPolarHBondContact O-CA 2.97Å; G227-K236 WeakPolarHBondContact O-CG 3.33Å; G227-V237 VanDerWaalsContact C-N 3.27Å; G227-V237 WeakPolarHBondContact CA-O 3.38Å; G227-V237 PolarHBondContact O-N 3.04Å
228	Y	56.7	Low	51.2	Low	68 Å²	68	71 Å²	71	27%	0.267	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150	173.2	-64.8	-95.7	0	0	0	112.2	H208 C224 K225 K235 K236 V237	H208-Y228 HydrophobicContact CB-CD1 3.88Å; H208-Y228 HydrophobicContact CB-CD2 3.85Å; H208-Y228 HydrophobicContact CB-CE1 4.05Å; H208-Y228 HydrophobicContact CB-CE2 4.02Å; H208-Y228 HydrophobicContact CB-CG 3.79Å; H208-Y228 AromaticContact CE1-CE1 3.91Å; H208-Y228 AromaticContact CG-CD1 3.96Å; H208-Y228 AromaticContact CG-CE1 3.68Å; H208-Y228 AromaticContact CG-CZ 3.8Å; H208-Y228 AromaticContact ND1-CD1 3.76Å; H208-Y228 AromaticContact ND1-CE1 3.44Å; H208-Y228 WeakPolarHBondContact ND1-CE1 3.32Å; H208-Y228 AromaticContact ND1-CZ 3.98Å; C224-Y228 VanDerWaalsContact CB-C 3.43Å; C224-Y228 WeakPolarHBondContact CB-O 3.49Å; K225-Y228 HydrophobicContact CB-CD2 4.15Å; K225-Y228 WeakPolarHBondContact O-CB 3.02Å; K225-Y228 PolarHBondContact O-N 2.75Å; Y228-K235 CarbonylContact C-O 3.6Å; Y228-K235 WeakPolarHBondContact CA-O 3.42Å; Y228-K235 WeakPolarHBondContact CB-O 3.36Å; Y228-K236 HydrophobicContact CD1-CB 4.41Å; Y228-K236 HydrophobicContact CE1-CB 4.36Å; Y228-K236 HydrophobicContact CE1-CG 4.4Å; Y228-V237 WeakPolarHBondContact O-CG2 2.94Å
229	E	58.7	Low	51.9	Low	63 Å²	63	69.2 Å²	69.2	29%	0.294	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	177.6	177.4	62	179	-171.2	0	0	110	C233 D234 K235 V237 K241	E229-C233 CarbonylContact O-C 3.57Å; E229-C233 WeakPolarHBondContact O-CA 3.35Å; E229-D234 PolarHBondContact O-N 2.96Å; E229-K235 HydrophobicContact CG-CB 3.74Å; E229-K235 PolarHBondContact N-O 3.07Å; E229-K235 WeakPolarHBondContact O-CA 2.96Å; E229-K235 WeakPolarHBondContact O-CB 3.39Å; E229-K235 PolarHBondContact O-N 3.37Å; E229-K235 VanDerWaalsContact O-O 3.13Å; E229-V237 HydrophobicContact CB-CG2 3.32Å; E229-V237 HydrophobicContact CG-CG2 3.52Å; E229-K241 VanDerWaalsContact CD-NZ 3.29Å; E229-K241 IonicContact OE1-NZ 3.12Å; E229-K241 PolarHBondContact OE1-NZ 3.32Å; E229-K241 IonicContact OE2-NZ 3.44Å; E229-K241 PolarHBondContact OE2-NZ 3.31Å; E229-K241 VanDerWaalsContact OE2-NZ 3.12Å
230	G	50.8	Low	53	Low	27 Å²	27	67.5 Å²	67.5	28%	0.278	34%	0.335	S	S	.	.	S	Bend	trans	105.3	156	-177.8	0	0	0	0	0	111.9	Y232 C233	G230-Y232 PolarHBondContact O-N 2.92Å; G230-C233 PolarHBondContact O-N 3.32Å
231	K	55.8	Low	54.1	Low	101 Å²	101	67.6 Å²	67.6	44%	0.439	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-32.2	-179.5	-179.9	165.4	177.5	151.9	0	111.8	D220 C222	D220-K231 WeakPolarHBondContact O-CE 3.42Å; D220-K231 WeakPolarHBondContact O-CG 3.21Å; D220-K231 IonicContact OD1-NZ 2.8Å; D220-K231 PolarHBondContact OD1-NZ 3.12Å; C222-K231 WeakPolarHBondContact CB-O 3.32Å; C222-K231 PolarHBondContact N-O 3.41Å
232	Y	54.2	Low	55.1	Low	121 Å²	121	67.8 Å²	67.8	48%	0.475	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	13.5	179.8	-54.9	-72	0	0	0	113.9	K207 G230 D234	K207-Y232 PolarHBondContact N-O 3.36Å; G230-Y232 PolarHBondContact O-N 2.92Å; Y232-D234 PolarHBondContact O-N 2.99Å
233	C	61	Low	55.9	Low	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	59.6	30.6	-178.3	-56.8	0	0	0	0	114.5	K207 C222 C224 E229 G230	K207-C233 CarbonylContact O-C 3.17Å; K207-C233 WeakPolarHBondContact O-CB 3.07Å; C222-C233 HydrophobicContact CB-CB 4.33Å; C222-C233 WeakPolarHBondContact CB-SG 2.9Å; C222-C233 PolarHBondContact O-SG 3.17Å; C222-C233 VanDerWaalsContact O-SG 3.39Å; C224-C233 WeakPolarHBondContact CA-SG 3.42Å; C224-C233 HydrophobicContact CB-CB 3.56Å; C224-C233 WeakPolarHBondContact CB-SG 3.48Å; C224-C233 PolarHBondContact N-SG 3.44Å; C224-C233 WeakPolarHBondContact SG-CA 3.32Å; C224-C233 WeakPolarHBondContact SG-CB 3.23Å; C224-C233 CovalentContact SG-SG 2.02Å; C224-C233 PolarHBondContact SG-SG 2.78Å; E229-C233 CarbonylContact O-C 3.57Å; E229-C233 WeakPolarHBondContact O-CA 3.35Å; G230-C233 PolarHBondContact O-N 3.32Å
234	D	52.4	Low	56.6	Low	93 Å²	93	70.2 Å²	70.2	50%	0.497	36%	0.36	S	S	.	.			trans	-83.5	-12.4	-177.6	53.3	-50.1	0	0	0	113.8	E229 Y232	E229-D234 PolarHBondContact O-N 2.96Å; Y232-D234 PolarHBondContact O-N 2.99Å
235	K	52.7	Low	57.3	Low	120 Å²	120	69.4 Å²	69.4	52%	0.522	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	140.5	-179.7	-58.3	179.5	-178.3	-178.3	0	110.1	Y228 E229	Y228-K235 CarbonylContact C-O 3.6Å; Y228-K235 WeakPolarHBondContact CA-O 3.42Å; Y228-K235 WeakPolarHBondContact CB-O 3.36Å; E229-K235 HydrophobicContact CG-CB 3.74Å; E229-K235 PolarHBondContact N-O 3.07Å; E229-K235 WeakPolarHBondContact O-CA 2.96Å; E229-K235 WeakPolarHBondContact O-CB 3.39Å; E229-K235 PolarHBondContact O-N 3.37Å; E229-K235 VanDerWaalsContact O-O 3.13Å
236	K	53.8	Low	57.9	Low	141 Å²	141	70.3 Å²	70.3	61%	0.613	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.4	175.1	-163.8	180	179.4	-177.7	0	109.3	G227 Y228 T238	G227-K236 CarbonylContact O-C 3.57Å; G227-K236 VanDerWaalsContact O-C 3.31Å; G227-K236 WeakPolarHBondContact O-CA 2.97Å; G227-K236 WeakPolarHBondContact O-CG 3.33Å; Y228-K236 HydrophobicContact CD1-CB 4.41Å; Y228-K236 HydrophobicContact CE1-CB 4.36Å; Y228-K236 HydrophobicContact CE1-CG 4.4Å; K236-T238 PolarHBondContact O-N 3.03Å
237	V	53.2	Low	58.6	Low	40 Å²	40	71.2 Å²	71.2	24%	0.242	37%	0.374	C	S	.	.			trans	-69.7	112.5	168.4	175.1	0	0	0	0	106.9	G227 Y228 E229	G227-V237 VanDerWaalsContact C-N 3.27Å; G227-V237 WeakPolarHBondContact CA-O 3.38Å; G227-V237 PolarHBondContact O-N 3.04Å; Y228-V237 WeakPolarHBondContact O-CG2 2.94Å; E229-V237 HydrophobicContact CB-CG2 3.32Å; E229-V237 HydrophobicContact CG-CG2 3.52Å
238	T	51.8	Low	59.4	Low	66 Å²	66	80.1 Å²	80.1	41%	0.405	41%	0.412	S	S	.	.			trans	-79.3	120.4	163	48.5	0	0	0	0	107.7	K236 C240 K241 D253	K236-T238 PolarHBondContact O-N 3.03Å; T238-C240 PolarHBondContact O-N 3.23Å; T238-K241 VanDerWaalsContact O-CB 3.23Å; T238-K241 WeakPolarHBondContact O-CB 3.4Å; T238-K241 PolarHBondContact O-N 3.34Å; T238-D253 WeakPolarHBondContact CA-OD2 2.9Å
239	S	54.9	Low	60	Low	24 Å²	24	77.9 Å²	77.9	17%	0.168	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-10.8	179.7	-48.9	0	0	0	0	113.3	D253	S239-D253 VanDerWaalsContact CB-OD1 3.24Å; S239-D253 WeakPolarHBondContact CB-OD1 3.44Å; S239-D253 VanDerWaalsContact N-CG 3.34Å; S239-D253 PolarHBondContact N-OD1 3.15Å; S239-D253 PolarHBondContact N-OD2 2.71Å; S239-D253 PolarHBondContact OG-OD1 2.83Å
240	C	61.8	Low	60.7	Low	25 Å²	25	78.3 Å²	78.3	17%	0.169	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-1.6	175.3	-57.6	0	0	0	0	114.6	T238 D242 N243 C251	T238-C240 PolarHBondContact O-N 3.23Å; C240-D242 VanDerWaalsContact C-N 3.31Å; C240-D242 PolarHBondContact O-N 2.84Å; C240-N243 PolarHBondContact O-N 2.02Å; C240-N243 VanDerWaalsContact O-N 3.12Å; C240-N243 PolarHBondContact O-OD1 2.66Å; C240-C251 WeakPolarHBondContact CA-SG 3.39Å; C240-C251 HydrophobicContact CB-CB 3.67Å; C240-C251 WeakPolarHBondContact CB-SG 3.31Å; C240-C251 WeakPolarHBondContact SG-CB 3.49Å; C240-C251 PolarHBondContact SG-O 2.02Å; C240-C251 VanDerWaalsContact SG-O 3.34Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.09Å
241	K	63.8	Low	61.4	Low	112 Å²	112	78.8 Å²	78.8	49%	0.487	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-38.9	-175.7	-172.7	-179.8	174.4	-168.9	0	112.7	E229 T238 N243	E229-K241 VanDerWaalsContact CD-NZ 3.29Å; E229-K241 IonicContact OE1-NZ 3.12Å; E229-K241 PolarHBondContact OE1-NZ 3.32Å; E229-K241 IonicContact OE2-NZ 3.44Å; E229-K241 PolarHBondContact OE2-NZ 3.31Å; E229-K241 VanDerWaalsContact OE2-NZ 3.12Å; T238-K241 VanDerWaalsContact O-CB 3.23Å; T238-K241 WeakPolarHBondContact O-CB 3.4Å; T238-K241 PolarHBondContact O-N 3.34Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 3.21Å
242	D	65.3	Low	61.5	Low	148 Å²	148	76.6 Å²	76.6	79%	0.791	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	5.4	-179.7	-62	-32.7	0	0	0	113.3	C240	C240-D242 VanDerWaalsContact C-N 3.31Å; C240-D242 PolarHBondContact O-N 2.84Å
243	N	66.3	Low	61.2	Low	129 Å²	129	73.4 Å²	73.4	69%	0.69	40%	0.401	S	S	*	.			trans	46.4	59.3	-173.9	-66.5	-45	0	0	0	113.1	C240 K241 C245	C240-N243 PolarHBondContact O-N 2.02Å; C240-N243 VanDerWaalsContact O-N 3.12Å; C240-N243 PolarHBondContact O-OD1 2.66Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 3.21Å; N243-C245 PolarHBondContact O-N 3.48Å
244	P	64.5	Low	60.4	Low	27 Å²	27	75.6 Å²	75.6	18%	0.175	41%	0.414	C	S	.	.			trans	-64.6	-25.1	-177.6	26.8	-34.8	0	0	0	113.2	Q246 Y258 N270	P244-Q246 PolarHBondContact O-N 3.25Å; P244-Y258 HydrophobicContact CB-CD1 4.27Å; P244-Y258 HydrophobicContact CB-CD2 4.07Å; P244-Y258 HydrophobicContact CB-CE1 3.81Å; P244-Y258 HydrophobicContact CB-CE2 3.59Å; P244-Y258 HydrophobicContact CB-CG 4.39Å; P244-Y258 VanDerWaalsContact CB-CZ 3.44Å; P244-Y258 HydrophobicContact CG-CD1 3.73Å; P244-Y258 HydrophobicContact CG-CD2 3.56Å; P244-Y258 HydrophobicContact CG-CE1 3.81Å; P244-Y258 HydrophobicContact CG-CE2 3.64Å; P244-Y258 HydrophobicContact CG-CG 3.61Å; P244-N270 WeakPolarHBondContact O-CB 3.22Å
245	C	69.8	Low	59.8	Low	13 Å²	13	77 Å²	77	9%	0.088	42%	0.42	C	S	.	.	S	Bend	trans	-78	118.8	179.7	-47.7	0	0	0	0	110.9	N243 S249 C251 C260	N243-C245 PolarHBondContact O-N 3.48Å; C245-S249 WeakPolarHBondContact CB-OG 3.08Å; C245-C251 VanDerWaalsContact SG-CB 3.58Å; C245-C260 WeakPolarHBondContact CA-SG 3.44Å; C245-C260 HydrophobicContact CB-CB 3.67Å; C245-C260 WeakPolarHBondContact CB-SG 3.2Å; C245-C260 WeakPolarHBondContact SG-CA 3.35Å; C245-C260 WeakPolarHBondContact SG-CB 2.97Å; C245-C260 CovalentContact SG-SG 2.02Å; C245-C260 PolarHBondContact SG-SG 2.82Å
246	Q	69.5	Low	59	Low	105 Å²	105	77.2 Å²	77.2	49%	0.491	42%	0.42	S	S	.	.			trans	-79.3	129.9	-178.5	-69.4	-168.1	-6	0	0	112.6	P244 S249 N270	P244-Q246 PolarHBondContact O-N 3.25Å; Q246-S249 PolarHBondContact O-OG 3.48Å; Q246-N270 PolarHBondContact N-O 3.36Å
247	G	67	Low	58.3	Low	61 Å²	61	76.4 Å²	76.4	63%	0.629	42%	0.415	S	S	*	.	S	Bend	trans	92.7	-150.4	173.2	0	0	0	0	0	113.2	S249	G247-S249 PolarHBondContact O-N 3.37Å; G247-S249 VanDerWaalsContact O-N 3.15Å
248	Q	62.5	Low	58.3	Low	199 Å²	199	77.1 Å²	77.1	93%	0.93	41%	0.413	S	S	*	.	S	Bend	trans	-84.5	37.4	179.7	-65	-179.7	5.4	0	0	112.5
249	S	69.9	Low	58.2	Low	20 Å²	20	77.2 Å²	77.2	14%	0.14	41%	0.411	C	S	.	.			trans	-91.2	142.1	178.6	46.6	0	0	0	0	111.4	C245 Q246 G247 H261	C245-S249 WeakPolarHBondContact CB-OG 3.08Å; Q246-S249 PolarHBondContact O-OG 3.48Å; G247-S249 PolarHBondContact O-N 3.37Å; G247-S249 VanDerWaalsContact O-N 3.15Å; S249-H261 WeakPolarHBondContact CA-O 3.24Å; S249-H261 WeakPolarHBondContact CB-O 3.46Å
250	S	74.5	Confident	58.5	Low	72 Å²	72	76.9 Å²	76.9	50%	0.503	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	142.4	172.9	63.8	0	0	0	0	110.9	H261	S250-H261 PolarHBondContact N-O 2.94Å; S250-H261 PolarHBondContact O-N 3.07Å; S250-H261 WeakPolarHBondContact OG-CB 3Å; S250-H261 PolarHBondContact OG-CD2 3.21Å
251	C	65.5	Low	58.8	Low	37 Å²	37	80 Å²	80	25%	0.25	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.6	178.3	179	0	0	0	0	109.2	C240 C245	C240-C251 WeakPolarHBondContact CA-SG 3.39Å; C240-C251 HydrophobicContact CB-CB 3.67Å; C240-C251 WeakPolarHBondContact CB-SG 3.31Å; C240-C251 WeakPolarHBondContact SG-CB 3.49Å; C240-C251 PolarHBondContact SG-O 2.02Å; C240-C251 VanDerWaalsContact SG-O 3.34Å; C240-C251 CovalentContact SG-SG 2.03Å; C240-C251 PolarHBondContact SG-SG 3.09Å; C245-C251 VanDerWaalsContact SG-CB 3.58Å
252	T	56.5	Low	58.8	Low	55 Å²	55	76.9 Å²	76.9	34%	0.337	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.9	168.7	33.8	0	0	0	0	110	Y258 I259 H261	T252-Y258 CarbonylContact O-C 3.32Å; T252-Y258 WeakPolarHBondContact O-CA 3.27Å; T252-I259 PolarHBondContact N-O 3.34Å; T252-I259 PolarHBondContact O-N 2.03Å; T252-I259 PolarHBondContact OG1-O 2.87Å; T252-H261 WeakPolarHBondContact CG2-NE2 3.21Å; T252-H261 PolarHBondContact OG1-NE2 2.61Å
253	D	49.6	Very low	59	Low	54 Å²	54	71.3 Å²	71.3	29%	0.289	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.3	175.7	-176.7	14	0	0	0	109.9	T238 S239	T238-D253 WeakPolarHBondContact CA-OD2 2.9Å; S239-D253 VanDerWaalsContact CB-OD1 3.24Å; S239-D253 WeakPolarHBondContact CB-OD1 3.44Å; S239-D253 VanDerWaalsContact N-CG 3.34Å; S239-D253 PolarHBondContact N-OD1 3.15Å; S239-D253 PolarHBondContact N-OD2 2.71Å; S239-D253 PolarHBondContact OG-OD1 2.83Å
254	V	43.3	Very low	58.8	Low	47 Å²	47	70.1 Å²	70.1	29%	0.285	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	74	-177.6	-169	0	0	0	0	109.4	F256 Y257 I259	V254-F256 PolarHBondContact O-N 2.99Å; V254-Y257 CarbonylContact C-O 3.22Å; V254-Y257 VanDerWaalsContact C-O 3.32Å; V254-Y257 WeakPolarHBondContact CA-O 3.44Å; V254-Y257 HydrophobicContact CB-CD2 4.28Å; V254-Y257 HydrophobicContact CB-CE1 4.19Å; V254-Y257 HydrophobicContact CB-CE2 3.95Å; V254-Y257 HydrophobicContact CG1-CE1 3.9Å; V254-Y257 HydrophobicContact CG1-CE2 4.17Å; V254-Y257 HydrophobicContact CG2-CE2 4.36Å; V254-Y257 PolarHBondContact N-O 3.39Å; V254-Y257 WeakPolarHBondContact O-CD1 3.03Å; V254-Y257 PolarHBondContact O-N 2.74Å; V254-Y257 VanDerWaalsContact O-N 3.07Å; V254-I259 HydrophobicContact CG2-CD1 3.7Å; V254-I259 HydrophobicContact CG2-CG1 3.84Å
255	M	39.8	Very low	58.5	Low	123 Å²	123	72.9 Å²	72.9	61%	0.606	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	-42.9	165.8	-157.3	158.6	165.1	0	0	118.1
256	F	35.6	Very low	58.3	Low	123 Å²	123	75.7 Å²	75.7	54%	0.539	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-10.3	179.5	-56.5	-83.9	0	0	0	113.1	A226 V254	A226-F256 HydrophobicContact CB-CB 4.48Å; A226-F256 HydrophobicContact CB-CD1 3.32Å; A226-F256 HydrophobicContact CB-CE1 3.86Å; A226-F256 HydrophobicContact CB-CG 4.3Å; V254-F256 PolarHBondContact O-N 2.99Å
257	Y	39.9	Very low	57.8	Low	125 Å²	125	73.9 Å²	73.9	49%	0.49	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	167.2	179.9	60.5	-81.4	0	0	0	110.7	V254 I259	V254-Y257 CarbonylContact C-O 3.22Å; V254-Y257 VanDerWaalsContact C-O 3.32Å; V254-Y257 WeakPolarHBondContact CA-O 3.44Å; V254-Y257 HydrophobicContact CB-CD2 4.28Å; V254-Y257 HydrophobicContact CB-CE1 4.19Å; V254-Y257 HydrophobicContact CB-CE2 3.95Å; V254-Y257 HydrophobicContact CG1-CE1 3.9Å; V254-Y257 HydrophobicContact CG1-CE2 4.17Å; V254-Y257 HydrophobicContact CG2-CE2 4.36Å; V254-Y257 PolarHBondContact N-O 3.39Å; V254-Y257 WeakPolarHBondContact O-CD1 3.03Å; V254-Y257 PolarHBondContact O-N 2.74Å; V254-Y257 VanDerWaalsContact O-N 3.07Å; Y257-I259 HydrophobicContact CD2-CG1 3.96Å; Y257-I259 HydrophobicContact CE2-CD1 3.82Å; Y257-I259 HydrophobicContact CE2-CG1 3.53Å
258	Y	53.5	Low	56.8	Low	55 Å²	55	72.7 Å²	72.7	22%	0.216	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	150	168.8	57.5	-87.1	0	0	0	110.4	P244 T252 C260 N270	P244-Y258 HydrophobicContact CB-CD1 4.27Å; P244-Y258 HydrophobicContact CB-CD2 4.07Å; P244-Y258 HydrophobicContact CB-CE1 3.81Å; P244-Y258 HydrophobicContact CB-CE2 3.59Å; P244-Y258 HydrophobicContact CB-CG 4.39Å; P244-Y258 VanDerWaalsContact CB-CZ 3.44Å; P244-Y258 HydrophobicContact CG-CD1 3.73Å; P244-Y258 HydrophobicContact CG-CD2 3.56Å; P244-Y258 HydrophobicContact CG-CE1 3.81Å; P244-Y258 HydrophobicContact CG-CE2 3.64Å; P244-Y258 HydrophobicContact CG-CG 3.61Å; T252-Y258 CarbonylContact O-C 3.32Å; T252-Y258 WeakPolarHBondContact O-CA 3.27Å; Y258-C260 VanDerWaalsContact CD2-SG 3.54Å; Y258-N270 VanDerWaalsContact CE2-OD1 3.31Å; Y258-N270 WeakPolarHBondContact CE2-OD1 3.17Å; Y258-N270 PolarHBondContact OH-OD1 2.86Å
259	I	49.7	Very low	56.2	Low	68 Å²	68	69.7 Å²	69.7	35%	0.349	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.4	165	-59.9	178.2	0	0	0	107.4	T252 V254 Y257	T252-I259 PolarHBondContact N-O 3.34Å; T252-I259 PolarHBondContact O-N 2.03Å; T252-I259 PolarHBondContact OG1-O 2.87Å; V254-I259 HydrophobicContact CG2-CD1 3.7Å; V254-I259 HydrophobicContact CG2-CG1 3.84Å; Y257-I259 HydrophobicContact CD2-CG1 3.96Å; Y257-I259 HydrophobicContact CE2-CD1 3.82Å; Y257-I259 HydrophobicContact CE2-CG1 3.53Å
260	C	60.9	Low	55.6	Low	17 Å²	17	71 Å²	71	12%	0.115	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	123.2	169.4	-62.8	0	0	0	0	110	C245 Y258 C262 C271	C245-C260 WeakPolarHBondContact CA-SG 3.44Å; C245-C260 HydrophobicContact CB-CB 3.67Å; C245-C260 WeakPolarHBondContact CB-SG 3.2Å; C245-C260 WeakPolarHBondContact SG-CA 3.35Å; C245-C260 WeakPolarHBondContact SG-CB 2.97Å; C245-C260 CovalentContact SG-SG 2.02Å; C245-C260 PolarHBondContact SG-SG 2.82Å; Y258-C260 VanDerWaalsContact CD2-SG 3.54Å; C260-C262 PolarHBondContact O-N 3.13Å; C260-C271 VanDerWaalsContact CB-SG 3.55Å
261	H	68.6	Low	55.3	Low	90 Å²	90	67.6 Å²	67.6	42%	0.417	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	95.9	167.2	-59.3	-71.1	0	0	0	108.4	S249 S250 T252	S249-H261 WeakPolarHBondContact CA-O 3.24Å; S249-H261 WeakPolarHBondContact CB-O 3.46Å; S250-H261 PolarHBondContact N-O 2.94Å; S250-H261 PolarHBondContact O-N 3.07Å; S250-H261 WeakPolarHBondContact OG-CB 3Å; S250-H261 PolarHBondContact OG-CD2 3.21Å; T252-H261 WeakPolarHBondContact CG2-NE2 3.21Å; T252-H261 PolarHBondContact OG1-NE2 2.61Å
262	C	63.3	Low	54.8	Low	46 Å²	46	70 Å²	70	31%	0.311	37%	0.368	S	S	.	.			trans	-68.3	145.8	-179.6	-53.2	0	0	0	0	111.9	C260 R266 C271	C260-C262 PolarHBondContact O-N 3.13Å; C262-R266 HydrophobicContact CB-CB 4.4Å; C262-R266 WeakPolarHBondContact CB-O 3.35Å; C262-C271 WeakPolarHBondContact CA-SG 3.37Å; C262-C271 HydrophobicContact CB-CB 3.73Å; C262-C271 WeakPolarHBondContact CB-SG 2.99Å; C262-C271 WeakPolarHBondContact SG-CA 3.36Å; C262-C271 WeakPolarHBondContact SG-CB 3.16Å; C262-C271 CovalentContact SG-SG 2.03Å; C262-C271 PolarHBondContact SG-SG 3.43Å
263	A	69.6	Low	54.8	Low	31 Å²	31	70.1 Å²	70.1	26%	0.256	37%	0.369	S	S	.	.			trans	-62.6	156.1	165.3	0	0	0	0	0	110.1	D265 R266	A263-D265 WeakPolarHBondContact CB-OD1 3.46Å; A263-D265 PolarHBondContact O-N 2.66Å; A263-R266 PolarHBondContact O-N 3.15Å
264	P	61.9	Low	55.2	Low	104 Å²	104	73.6 Å²	73.6	68%	0.675	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.2	-174.3	-24.2	33.4	0	0	0	115.6
265	D	58.8	Low	55.8	Low	86 Å²	86	72.4 Å²	72.4	46%	0.46	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.9	-179.4	65.8	-34.7	0	0	0	113.8	A263 A275	A263-D265 WeakPolarHBondContact CB-OD1 3.46Å; A263-D265 PolarHBondContact O-N 2.66Å; D265-A275 CarbonylContact C-O 3.45Å; D265-A275 VanDerWaalsContact CA-O 3.28Å; D265-A275 WeakPolarHBondContact CA-O 3.39Å; D265-A275 PolarHBondContact O-N 3.34Å
266	R	64.8	Low	56.9	Low	71 Å²	71	67.8 Å²	67.8	27%	0.268	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149	-175.7	-67.2	-172.1	166.7	-144.5	-8.5	112.8	C262 A263 C271 V273	C262-R266 HydrophobicContact CB-CB 4.4Å; C262-R266 WeakPolarHBondContact CB-O 3.35Å; A263-R266 PolarHBondContact O-N 3.15Å; R266-C271 HydrophobicContact CB-CB 4.15Å; R266-C271 WeakPolarHBondContact CD-O 3.33Å; R266-V273 CarbonylContact C-O 3.23Å; R266-V273 WeakPolarHBondContact CA-O 3.44Å
267	T	57.9	Low	58.3	Low	68 Å²	68	62.7 Å²	62.7	42%	0.417	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	179.2	177.3	63.3	0	0	0	0	110.1	C271 E272 V273 A275	T267-C271 CarbonylContact O-C 3.5Å; T267-C271 VanDerWaalsContact O-C 3.24Å; T267-C271 VanDerWaalsContact O-CA 3.27Å; T267-C271 WeakPolarHBondContact O-CA 3.11Å; T267-E272 PolarHBondContact O-N 3.24Å; T267-V273 PolarHBondContact N-O 2.03Å; T267-V273 WeakPolarHBondContact O-CA 2.98Å; T267-V273 WeakPolarHBondContact O-CB 3.07Å; T267-V273 PolarHBondContact O-N 3.35Å; T267-V273 PolarHBondContact OG1-O 3.48Å; T267-A275 HydrophobicContact CG2-CB 3.3Å; T267-A275 WeakPolarHBondContact OG1-CB 3.23Å
268	G	46.4	Very low	59.7	Low	36 Å²	36	58.4 Å²	58.4	37%	0.371	33%	0.329	S	S	.	.	S	Bend	trans	106	167.6	-172.2	0	0	0	0	0	110.9	N270 C271	G268-N270 PolarHBondContact O-N 3.12Å; G268-C271 PolarHBondContact O-N 2.88Å
269	M	50.7	Low	60.4	Low	136 Å²	136	64.5 Å²	64.5	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-31.7	-179.5	-178	172.4	172.6	0	0	111.2	E272	M269-E272 PolarHBondContact N-OE2 3.03Å
270	N	58	Low	61.6	Low	47 Å²	47	65.9 Å²	65.9	25%	0.251	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	14.5	-177.8	-61.7	-12.3	0	0	0	112	P244 Q246 Y258 G268 E272	P244-N270 WeakPolarHBondContact O-CB 3.22Å; Q246-N270 PolarHBondContact N-O 3.36Å; Y258-N270 VanDerWaalsContact CE2-OD1 3.31Å; Y258-N270 WeakPolarHBondContact CE2-OD1 3.17Å; Y258-N270 PolarHBondContact OH-OD1 2.86Å; G268-N270 PolarHBondContact O-N 3.12Å; N270-E272 VanDerWaalsContact C-OE2 3.23Å; N270-E272 VanDerWaalsContact CA-OE2 3.23Å; N270-E272 WeakPolarHBondContact CA-OE2 3Å; N270-E272 VanDerWaalsContact CB-OE2 3.32Å; N270-E272 WeakPolarHBondContact CB-OE2 3.4Å; N270-E272 PolarHBondContact N-OE2 2.89Å; N270-E272 PolarHBondContact O-N 2.75Å
271	C	66.5	Low	62.4	Low	1 Å²	1	69.6 Å²	69.6	1%	0.007	39%	0.394	C	S	.	.	S	Bend	trans	58.9	30.2	-173.1	-45.6	0	0	0	0	113.7	C260 C262 R266 T267 G268	C260-C271 VanDerWaalsContact CB-SG 3.55Å; C262-C271 WeakPolarHBondContact CA-SG 3.37Å; C262-C271 HydrophobicContact CB-CB 3.73Å; C262-C271 WeakPolarHBondContact CB-SG 2.99Å; C262-C271 WeakPolarHBondContact SG-CA 3.36Å; C262-C271 WeakPolarHBondContact SG-CB 3.16Å; C262-C271 CovalentContact SG-SG 2.03Å; C262-C271 PolarHBondContact SG-SG 3.43Å; R266-C271 HydrophobicContact CB-CB 4.15Å; R266-C271 WeakPolarHBondContact CD-O 3.33Å; T267-C271 CarbonylContact O-C 3.5Å; T267-C271 VanDerWaalsContact O-C 3.24Å; T267-C271 VanDerWaalsContact O-CA 3.27Å; T267-C271 WeakPolarHBondContact O-CA 3.11Å; G268-C271 PolarHBondContact O-N 2.88Å
272	E	56.6	Low	63.1	Low	87 Å²	87	66.4 Å²	66.4	41%	0.407	38%	0.382	S	S	.	.			trans	-80.8	-19.8	-176.4	71.6	-76.6	-176.4	0	0	114	T267 M269 N270	T267-E272 PolarHBondContact O-N 3.24Å; M269-E272 PolarHBondContact N-OE2 3.03Å; N270-E272 VanDerWaalsContact C-OE2 3.23Å; N270-E272 VanDerWaalsContact CA-OE2 3.23Å; N270-E272 WeakPolarHBondContact CA-OE2 3Å; N270-E272 VanDerWaalsContact CB-OE2 3.32Å; N270-E272 WeakPolarHBondContact CB-OE2 3.4Å; N270-E272 PolarHBondContact N-OE2 2.89Å; N270-E272 PolarHBondContact O-N 2.75Å
273	V	54.8	Low	64.2	Low	58 Å²	58	65.1 Å²	65.1	35%	0.352	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	113.8	-176.6	-175.1	0	0	0	0	110.1	R266 T267 A275	R266-V273 CarbonylContact C-O 3.23Å; R266-V273 WeakPolarHBondContact CA-O 3.44Å; T267-V273 PolarHBondContact N-O 2.03Å; T267-V273 WeakPolarHBondContact O-CA 2.98Å; T267-V273 WeakPolarHBondContact O-CB 3.07Å; T267-V273 PolarHBondContact O-N 3.35Å; T267-V273 PolarHBondContact OG1-O 3.48Å; V273-A275 PolarHBondContact O-N 3.34Å; V273-A275 VanDerWaalsContact O-N 3.15Å
274	E	58.6	Low	65	Low	126 Å²	126	71.8 Å²	71.8	59%	0.589	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	117.5	168.1	-65.9	180	174.5	0	0	109.8
275	A	56.5	Low	66.2	Low	22 Å²	22	70.7 Å²	70.7	18%	0.182	38%	0.38	C	S	.	.			trans	-141.5	138.2	-175	0	0	0	0	0	110.3	D265 T267 V273	D265-A275 CarbonylContact C-O 3.45Å; D265-A275 VanDerWaalsContact CA-O 3.28Å; D265-A275 WeakPolarHBondContact CA-O 3.39Å; D265-A275 PolarHBondContact O-N 3.34Å; T267-A275 HydrophobicContact CG2-CB 3.3Å; T267-A275 WeakPolarHBondContact OG1-CB 3.23Å; V273-A275 PolarHBondContact O-N 3.34Å; V273-A275 VanDerWaalsContact O-N 3.15Å
276	G	61.3	Low	67	Low	26 Å²	26	69.7 Å²	69.7	27%	0.268	39%	0.39	S	S	.	.	S	Bend	trans	136.6	175.7	-175.3	0	0	0	0	0	111.5	C278 R279	G276-C278 PolarHBondContact O-N 3.34Å; G276-C278 VanDerWaalsContact O-N 3.13Å; G276-R279 VanDerWaalsContact O-CB 3.31Å; G276-R279 WeakPolarHBondContact O-CB 3.04Å; G276-R279 PolarHBondContact O-N 2.89Å; G276-R279 VanDerWaalsContact O-N 3.09Å
277	P	66	Low	67.8	Low	17 Å²	17	67 Å²	67	11%	0.11	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-13.4	-171.7	30.7	-37.3	0	0	0	113.3	A291 T293 V296 F297	P277-A291 HydrophobicContact CG-CB 3.85Å; P277-T293 WeakPolarHBondContact CD-O 3.38Å; P277-T293 VanDerWaalsContact CG-O 3.29Å; P277-T293 WeakPolarHBondContact CG-O 3.42Å; P277-V296 VanDerWaalsContact CG-C 3.41Å; P277-V296 VanDerWaalsContact CG-O 3.25Å; P277-V296 WeakPolarHBondContact CG-O 3Å; P277-F297 HydrophobicContact CB-CB 3.84Å; P277-F297 HydrophobicContact CB-CD1 4.03Å; P277-F297 HydrophobicContact CB-CG 4.41Å; P277-F297 HydrophobicContact CG-CB 3.92Å
278	C	70	Confident	68.9	Low	34 Å²	34	69 Å²	69	23%	0.23	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.9	174.7	-66.5	0	0	0	0	114.5	G276 S280 S281 C289	G276-C278 PolarHBondContact O-N 3.34Å; G276-C278 VanDerWaalsContact O-N 3.13Å; C278-S280 VanDerWaalsContact C-N 3.25Å; C278-S280 PolarHBondContact O-N 3.44Å; C278-S281 PolarHBondContact O-N 2.8Å; C278-C289 WeakPolarHBondContact CA-SG 3.37Å; C278-C289 HydrophobicContact CB-CB 3.73Å; C278-C289 WeakPolarHBondContact CB-SG 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.3Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.38Å
279	R	67.7	Low	70.4	Confident	183 Å²	183	69 Å²	69	69%	0.691	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-36.1	-176.3	-175.4	179.4	177.8	-175.2	1.4	113.2	G276 S281	G276-R279 VanDerWaalsContact O-CB 3.31Å; G276-R279 WeakPolarHBondContact O-CB 3.04Å; G276-R279 PolarHBondContact O-N 2.89Å; G276-R279 VanDerWaalsContact O-N 3.09Å; R279-S281 PolarHBondContact O-N 3.41Å
280	S	75.6	Confident	71.3	Confident	98 Å²	98	66.6 Å²	66.6	69%	0.685	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	4.6	178.8	47.8	0	0	0	0	113.9	C278	C278-S280 VanDerWaalsContact C-N 3.25Å; C278-S280 PolarHBondContact O-N 3.44Å
281	S	76.1	Confident	71.7	Confident	95 Å²	95	66.2 Å²	66.2	66%	0.664	38%	0.377	S	S	*	.			trans	49.7	59.8	-174.2	-61.2	0	0	0	0	112.8	C278 R279 C283	C278-S281 PolarHBondContact O-N 2.8Å; R279-S281 PolarHBondContact O-N 3.41Å; S281-C283 VanDerWaalsContact C-N 3.32Å; S281-C283 PolarHBondContact O-N 2.78Å
282	P	83.8	Confident	71.8	Confident	23 Å²	23	70.6 Å²	70.6	15%	0.149	40%	0.404	C	S	.	.			trans	-68.8	-26	-173.1	27.9	-35.4	0	0	0	114.1	R284 F297 T309	P282-R284 PolarHBondContact O-N 2.02Å; P282-F297 HydrophobicContact CB-CD1 4.41Å; P282-F297 HydrophobicContact CB-CD2 4.02Å; P282-F297 HydrophobicContact CB-CE1 3.93Å; P282-F297 HydrophobicContact CB-CE2 3.51Å; P282-F297 HydrophobicContact CB-CG 4.45Å; P282-F297 HydrophobicContact CB-CZ 3.46Å; P282-F297 VanDerWaalsContact CB-CZ 3.46Å; P282-F297 HydrophobicContact CG-CD1 3.96Å; P282-F297 HydrophobicContact CG-CD2 3.49Å; P282-F297 VanDerWaalsContact CG-CD2 3.49Å; P282-F297 HydrophobicContact CG-CE1 4Å; P282-F297 HydrophobicContact CG-CE2 3.55Å; P282-F297 HydrophobicContact CG-CG 3.71Å; P282-F297 HydrophobicContact CG-CZ 3.81Å; P282-T309 WeakPolarHBondContact O-CB 3.42Å
283	C	86.6	Confident	71.6	Confident	18 Å²	18	69.8 Å²	69.8	12%	0.122	41%	0.405	C	S	.	.			trans	-77.2	121.4	-179.6	-49.8	0	0	0	0	111.7	S281 G287 C289 C299	S281-C283 VanDerWaalsContact C-N 3.32Å; S281-C283 PolarHBondContact O-N 2.78Å; C283-G287 WeakPolarHBondContact CB-O 3.4Å; C283-C289 HydrophobicContact CB-CB 4.44Å; C283-C289 WeakPolarHBondContact SG-CA 3.16Å; C283-C289 WeakPolarHBondContact SG-CB 3.28Å; C283-C299 WeakPolarHBondContact CA-SG 2.99Å; C283-C299 HydrophobicContact CB-CB 3.78Å; C283-C299 WeakPolarHBondContact CB-SG 3.05Å; C283-C299 VanDerWaalsContact SG-CA 3.51Å; C283-C299 WeakPolarHBondContact SG-CB 3.35Å; C283-C299 CovalentContact SG-SG 2.02Å; C283-C299 PolarHBondContact SG-SG 2.04Å
284	R	85.9	Confident	71.8	Confident	172 Å²	172	73.8 Å²	73.8	65%	0.649	42%	0.424	S	S	*	.			trans	-88.9	170.8	179.5	-64.1	-80.6	179.9	160	-2	111.4	P282 G286 G287 T309	P282-R284 PolarHBondContact O-N 2.02Å; R284-G286 PolarHBondContact O-N 2.99Å; R284-G287 PolarHBondContact O-N 2.96Å; R284-T309 WeakPolarHBondContact CB-O 3.31Å; R284-T309 PolarHBondContact N-O 3.23Å
285	N	87.4	Confident	72	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	28.4	172.7	-58.1	-36.7	0	0	0	115.1	Y305 C310	N285-Y305 HydrophobicContact CB-CD1 3.9Å; N285-Y305 HydrophobicContact CB-CD2 4Å; N285-Y305 HydrophobicContact CB-CE1 3.98Å; N285-Y305 HydrophobicContact CB-CE2 4.09Å; N285-Y305 HydrophobicContact CB-CG 3.91Å; N285-C310 PolarHBondContact ND2-O 3.45Å
286	G	76	Confident	72.9	Confident	65 Å²	65	75 Å²	75	67%	0.67	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	22.7	-177.7	0	0	0	0	0	114.1	R284	R284-G286 PolarHBondContact O-N 2.99Å
287	G	81.7	Confident	73.8	Confident	14 Å²	14	77.2 Å²	77.2	14%	0.144	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-64.6	144.6	170.7	0	0	0	0	0	112.1	C283 R284 T300	C283-G287 WeakPolarHBondContact CB-O 3.4Å; R284-G287 PolarHBondContact O-N 2.96Å; G287-T300 VanDerWaalsContact CA-O 3.29Å; G287-T300 WeakPolarHBondContact CA-O 3.29Å
288	I	80.9	Confident	74.6	Confident	109 Å²	109	79.1 Å²	79.1	56%	0.559	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.2	177.9	-59.4	172.1	0	0	0	108.2	C299 T300	I288-C299 CarbonylContact O-C 3.51Å; I288-C299 VanDerWaalsContact O-CA 3.29Å; I288-C299 WeakPolarHBondContact O-CA 3.48Å; I288-T300 PolarHBondContact N-O 3.09Å; I288-T300 PolarHBondContact O-N 3.31Å
289	C	77.8	Confident	75.4	Confident	36 Å²	36	78.3 Å²	78.3	24%	0.243	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128.4	175.7	-167.6	0	0	0	0	111.3	C278 C283	C278-C289 WeakPolarHBondContact CA-SG 3.37Å; C278-C289 HydrophobicContact CB-CB 3.73Å; C278-C289 WeakPolarHBondContact CB-SG 3.22Å; C278-C289 WeakPolarHBondContact SG-CB 3.3Å; C278-C289 CovalentContact SG-SG 2.04Å; C278-C289 PolarHBondContact SG-SG 3.38Å; C283-C289 HydrophobicContact CB-CB 4.44Å; C283-C289 WeakPolarHBondContact SG-CA 3.16Å; C283-C289 WeakPolarHBondContact SG-CB 3.28Å
290	L	70.6	Confident	76.2	Confident	87 Å²	87	73 Å²	73	46%	0.455	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	175.3	-64.4	167.5	0	0	0	108.9	V292 F297 S298	L290-V292 PolarHBondContact O-N 2.84Å; L290-F297 CarbonylContact O-C 3.58Å; L290-F297 WeakPolarHBondContact O-CA 3.25Å; L290-S298 PolarHBondContact N-O 2.81Å; L290-S298 PolarHBondContact O-N 3.29Å
291	A	66.1	Low	76.6	Confident	38 Å²	38	70.2 Å²	70.2	31%	0.314	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	114.7	170.5	0	0	0	0	0	109.2	P277	P277-A291 HydrophobicContact CG-CB 3.85Å
292	V	67.1	Low	77	Confident	94 Å²	94	73.1 Å²	73.1	57%	0.57	42%	0.421	S	S	*	.	S	Bend	trans	-88.4	-39.3	177.3	-174.3	0	0	0	0	110.1	L290 V296	L290-V292 PolarHBondContact O-N 2.84Å; V292-V296 HydrophobicContact CB-CB 4.49Å; V292-V296 HydrophobicContact CB-CG1 4.28Å; V292-V296 PolarHBondContact N-O 3.26Å
293	T	54.1	Low	76.9	Confident	70 Å²	70	76 Å²	76	43%	0.429	45%	0.448	S	S	.	.	S	Bend	trans	-141.3	177.1	169.6	66.7	0	0	0	0	110	P277 S295 V296	P277-T293 WeakPolarHBondContact CD-O 3.38Å; P277-T293 VanDerWaalsContact CG-O 3.29Å; P277-T293 WeakPolarHBondContact CG-O 3.42Å; T293-S295 PolarHBondContact O-N 2.91Å; T293-V296 PolarHBondContact N-O 3.14Å; T293-V296 VanDerWaalsContact N-O 3.09Å; T293-V296 PolarHBondContact O-N 2.63Å; T293-V296 VanDerWaalsContact OG1-CB 3.23Å; T293-V296 WeakPolarHBondContact OG1-CB 3.19Å; T293-V296 VanDerWaalsContact OG1-CG2 3.27Å; T293-V296 WeakPolarHBondContact OG1-CG2 3.35Å; T293-V296 PolarHBondContact OG1-N 2.99Å; T293-V296 VanDerWaalsContact OG1-N 3.14Å
294	N	57.4	Low	76.4	Confident	141 Å²	141	78 Å²	78	75%	0.754	46%	0.46	S	S	*	.	S	Bend	trans	-55	-20.6	178.6	-64.5	-13.6	0	0	0	114.4
295	S	64.6	Low	76.5	Confident	99 Å²	99	73.5 Å²	73.5	69%	0.692	44%	0.444	S	S	*	.	S	Bend	trans	-125.4	-8.4	178.7	59.8	0	0	0	0	115	T293	T293-S295 PolarHBondContact O-N 2.91Å
296	V	75.2	Confident	76.4	Confident	75 Å²	75	72.5 Å²	72.5	46%	0.455	44%	0.44	S	S	.	.			trans	-112.5	124	-176.5	-178.5	0	0	0	0	110.6	P277 V292 T293	P277-V296 VanDerWaalsContact CG-C 3.41Å; P277-V296 VanDerWaalsContact CG-O 3.25Å; P277-V296 WeakPolarHBondContact CG-O 3Å; V292-V296 HydrophobicContact CB-CB 4.49Å; V292-V296 HydrophobicContact CB-CG1 4.28Å; V292-V296 PolarHBondContact N-O 3.26Å; T293-V296 PolarHBondContact N-O 3.14Å; T293-V296 VanDerWaalsContact N-O 3.09Å; T293-V296 PolarHBondContact O-N 2.63Å; T293-V296 VanDerWaalsContact OG1-CB 3.23Å; T293-V296 WeakPolarHBondContact OG1-CB 3.19Å; T293-V296 VanDerWaalsContact OG1-CG2 3.27Å; T293-V296 WeakPolarHBondContact OG1-CG2 3.35Å; T293-V296 PolarHBondContact OG1-N 2.99Å; T293-V296 VanDerWaalsContact OG1-N 3.14Å
297	F	80.5	Confident	76.8	Confident	73 Å²	73	70.6 Å²	70.6	32%	0.32	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	160.7	172.4	66.7	-83.5	0	0	0	111.6	P277 P282 L290 T309	P277-F297 HydrophobicContact CB-CB 3.84Å; P277-F297 HydrophobicContact CB-CD1 4.03Å; P277-F297 HydrophobicContact CB-CG 4.41Å; P277-F297 HydrophobicContact CG-CB 3.92Å; P282-F297 HydrophobicContact CB-CD1 4.41Å; P282-F297 HydrophobicContact CB-CD2 4.02Å; P282-F297 HydrophobicContact CB-CE1 3.93Å; P282-F297 HydrophobicContact CB-CE2 3.51Å; P282-F297 HydrophobicContact CB-CG 4.45Å; P282-F297 HydrophobicContact CB-CZ 3.46Å; P282-F297 VanDerWaalsContact CB-CZ 3.46Å; P282-F297 HydrophobicContact CG-CD1 3.96Å; P282-F297 HydrophobicContact CG-CD2 3.49Å; P282-F297 VanDerWaalsContact CG-CD2 3.49Å; P282-F297 HydrophobicContact CG-CE1 4Å; P282-F297 HydrophobicContact CG-CE2 3.55Å; P282-F297 HydrophobicContact CG-CG 3.71Å; P282-F297 HydrophobicContact CG-CZ 3.81Å; L290-F297 CarbonylContact O-C 3.58Å; L290-F297 WeakPolarHBondContact O-CA 3.25Å; F297-T309 HydrophobicContact CE2-CG2 4.15Å; F297-T309 HydrophobicContact CZ-CG2 4.31Å
298	S	82.4	Confident	76.8	Confident	57 Å²	57	76.6 Å²	76.6	40%	0.399	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.9	171	-178.6	0	0	0	0	109.2	L290	L290-S298 PolarHBondContact N-O 2.81Å; L290-S298 PolarHBondContact O-N 3.29Å
299	C	85.8	Confident	77	Confident	16 Å²	16	73.3 Å²	73.3	11%	0.108	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.8	178.7	-62.3	0	0	0	0	111.5	C283 I288 D308	C283-C299 WeakPolarHBondContact CA-SG 2.99Å; C283-C299 HydrophobicContact CB-CB 3.78Å; C283-C299 WeakPolarHBondContact CB-SG 3.05Å; C283-C299 VanDerWaalsContact SG-CA 3.51Å; C283-C299 WeakPolarHBondContact SG-CB 3.35Å; C283-C299 CovalentContact SG-SG 2.02Å; C283-C299 PolarHBondContact SG-SG 2.04Å; I288-C299 CarbonylContact O-C 3.51Å; I288-C299 VanDerWaalsContact O-CA 3.29Å; I288-C299 WeakPolarHBondContact O-CA 3.48Å; C299-D308 VanDerWaalsContact CB-O 3.22Å; C299-D308 WeakPolarHBondContact CB-O 3.18Å; C299-D308 PolarHBondContact SG-O 2.95Å
300	T	84	Confident	77.6	Confident	73 Å²	73	71.7 Å²	71.7	45%	0.448	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.8	168	-46.2	0	0	0	0	109.4	G287 I288	G287-T300 VanDerWaalsContact CA-O 3.29Å; G287-T300 WeakPolarHBondContact CA-O 3.29Å; I288-T300 PolarHBondContact N-O 3.09Å; I288-T300 PolarHBondContact O-N 3.31Å
301	C	85.5	Confident	78.3	Confident	38 Å²	38	72.5 Å²	72.5	26%	0.257	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-91.3	133.8	-174.6	-51.5	0	0	0	0	112.3	Y305 G307 C310	C301-Y305 WeakPolarHBondContact CB-O 3.27Å; C301-G307 PolarHBondContact SG-O 3.14Å; C301-C310 WeakPolarHBondContact CA-SG 3.48Å; C301-C310 HydrophobicContact CB-CB 3.61Å; C301-C310 WeakPolarHBondContact CB-SG 3.1Å; C301-C310 PolarHBondContact N-SG 3.3Å; C301-C310 WeakPolarHBondContact SG-CA 3.29Å; C301-C310 WeakPolarHBondContact SG-CB 3.43Å; C301-C310 CovalentContact SG-SG 2.03Å; C301-C310 PolarHBondContact SG-SG 3.27Å
302	K	84.7	Confident	79.1	Confident	156 Å²	156	73.1 Å²	73.1	68%	0.678	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-77	126	171.7	-173.3	174.8	-178.8	175.3	0	109.2	Y305	K302-Y305 WeakPolarHBondContact O-CA 3.23Å; K302-Y305 VanDerWaalsContact O-CB 3.29Å; K302-Y305 WeakPolarHBondContact O-CB 3.3Å; K302-Y305 VanDerWaalsContact O-CD2 3.31Å; K302-Y305 WeakPolarHBondContact O-CD2 3.35Å; K302-Y305 PolarHBondContact O-N 3.29Å
303	A	80.2	Confident	79.9	Confident	85 Å²	85	73.5 Å²	73.5	70%	0.702	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	140.9	173.7	0	0	0	0	0	111.2	Y305	A303-Y305 VanDerWaalsContact C-N 3.34Å
304	P	76.9	Confident	80.8	Confident	58 Å²	58	72.3 Å²	72.3	38%	0.377	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.7	8.7	5.6	36.5	-36.8	0	0	0	113.6	I313 A314	P304-I313 HydrophobicContact CB-CG2 3.89Å; P304-I313 HydrophobicContact CG-CG2 3.86Å; P304-I313 CarbonylContact O-C 3.56Å; P304-I313 WeakPolarHBondContact O-CA 3.27Å; P304-A314 VanDerWaalsContact O-CB 3.3Å; P304-A314 WeakPolarHBondContact O-CB 3.16Å; P304-A314 PolarHBondContact O-N 2.86Å
305	Y	87.1	Confident	81.3	Confident	79 Å²	79	75.3 Å²	75.3	31%	0.31	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.3	-176.9	-56.8	-79.3	0	0	0	113.6	N285 C301 K302 A303 S312 I313	N285-Y305 HydrophobicContact CB-CD1 3.9Å; N285-Y305 HydrophobicContact CB-CD2 4Å; N285-Y305 HydrophobicContact CB-CE1 3.98Å; N285-Y305 HydrophobicContact CB-CE2 4.09Å; N285-Y305 HydrophobicContact CB-CG 3.91Å; C301-Y305 WeakPolarHBondContact CB-O 3.27Å; K302-Y305 WeakPolarHBondContact O-CA 3.23Å; K302-Y305 VanDerWaalsContact O-CB 3.29Å; K302-Y305 WeakPolarHBondContact O-CB 3.3Å; K302-Y305 VanDerWaalsContact O-CD2 3.31Å; K302-Y305 WeakPolarHBondContact O-CD2 3.35Å; K302-Y305 PolarHBondContact O-N 3.29Å; A303-Y305 VanDerWaalsContact C-N 3.34Å; Y305-S312 CarbonylContact C-O 3.17Å; Y305-S312 WeakPolarHBondContact CA-O 2.97Å; Y305-I313 HydrophobicContact CD1-CG1 3.68Å; Y305-I313 HydrophobicContact CE1-CD1 4.03Å; Y305-I313 HydrophobicContact CE1-CG1 3.65Å
306	T	85.1	Confident	80.8	Confident	59 Å²	59	79 Å²	79	36%	0.362	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	167.1	178.9	61.2	0	0	0	0	110.5	C310 E311 S312 A314	T306-C310 CarbonylContact O-C 3.48Å; T306-E311 PolarHBondContact O-N 3.11Å; T306-S312 VanDerWaalsContact C-OG 3.25Å; T306-S312 PolarHBondContact N-O 2.03Å; T306-S312 WeakPolarHBondContact O-CA 3.16Å; T306-S312 PolarHBondContact O-N 2.71Å; T306-S312 VanDerWaalsContact O-O 3.12Å; T306-S312 PolarHBondContact O-OG 3.46Å; T306-S312 PolarHBondContact OG1-OG 3.18Å; T306-S312 VanDerWaalsContact OG1-OG 3.05Å; T306-A314 HydrophobicContact CG2-CB 3.8Å
307	G	84.6	Confident	79.4	Confident	25 Å²	25	82.1 Å²	82.1	26%	0.258	45%	0.449	S	S	.	.	S	Bend	trans	115.5	163.1	-175.6	0	0	0	0	0	111.5	C301 T309 C310	C301-G307 PolarHBondContact SG-O 3.14Å; G307-T309 PolarHBondContact O-N 3.45Å; G307-C310 PolarHBondContact O-N 3.39Å; G307-C310 VanDerWaalsContact O-N 3.14Å
308	D	83.3	Confident	77.5	Confident	140 Å²	140	83.2 Å²	83.2	75%	0.749	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.2	-175.9	-62.3	-19.3	0	0	0	111.9	C299	C299-D308 VanDerWaalsContact CB-O 3.22Å; C299-D308 WeakPolarHBondContact CB-O 3.18Å; C299-D308 PolarHBondContact SG-O 2.95Å
309	T	84.8	Confident	75.5	Confident	41 Å²	41	89.4 Å²	89.4	25%	0.252	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	14.3	170.8	61.5	0	0	0	0	112.9	P282 R284 F297 G307 E311	P282-T309 WeakPolarHBondContact O-CB 3.42Å; R284-T309 WeakPolarHBondContact CB-O 3.31Å; R284-T309 PolarHBondContact N-O 3.23Å; F297-T309 HydrophobicContact CE2-CG2 4.15Å; F297-T309 HydrophobicContact CZ-CG2 4.31Å; G307-T309 PolarHBondContact O-N 3.45Å; T309-E311 VanDerWaalsContact C-N 3.32Å; T309-E311 VanDerWaalsContact CA-OE2 3.3Å; T309-E311 WeakPolarHBondContact CA-OE2 3.45Å; T309-E311 WeakPolarHBondContact CB-OE2 2.98Å; T309-E311 PolarHBondContact N-OE2 3.35Å; T309-E311 PolarHBondContact O-N 2.81Å; T309-E311 PolarHBondContact OG1-OE2 3.32Å
310	C	89.5	Confident	73.7	Confident	1 Å²	1	96.6 Å²	96.6	1%	0.007	53%	0.526	C	S	.	.	S	Bend	trans	62.1	32.6	-179.4	-47.5	0	0	0	0	115	N285 C301 T306 G307	N285-C310 PolarHBondContact ND2-O 3.45Å; C301-C310 WeakPolarHBondContact CA-SG 3.48Å; C301-C310 HydrophobicContact CB-CB 3.61Å; C301-C310 WeakPolarHBondContact CB-SG 3.1Å; C301-C310 PolarHBondContact N-SG 3.3Å; C301-C310 WeakPolarHBondContact SG-CA 3.29Å; C301-C310 WeakPolarHBondContact SG-CB 3.43Å; C301-C310 CovalentContact SG-SG 2.03Å; C301-C310 PolarHBondContact SG-SG 3.27Å; T306-C310 CarbonylContact O-C 3.48Å; G307-C310 PolarHBondContact O-N 3.39Å; G307-C310 VanDerWaalsContact O-N 3.14Å
311	E	86.4	Confident	71.8	Confident	105 Å²	105	103.2 Å²	103.2	49%	0.491	55%	0.548	S	S	.	.			trans	-82	-20.5	-175.2	68.1	-79.3	-178.6	0	0	114.9	T306 T309	T306-E311 PolarHBondContact O-N 3.11Å; T309-E311 VanDerWaalsContact C-N 3.32Å; T309-E311 VanDerWaalsContact CA-OE2 3.3Å; T309-E311 WeakPolarHBondContact CA-OE2 3.45Å; T309-E311 WeakPolarHBondContact CB-OE2 2.98Å; T309-E311 PolarHBondContact N-OE2 3.35Å; T309-E311 PolarHBondContact O-N 2.81Å; T309-E311 PolarHBondContact OG1-OE2 3.32Å
312	S	82.3	Confident	69.8	Low	51 Å²	51	105.5 Å²	105.5	36%	0.357	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111	164.1	-173	70.2	0	0	0	0	112.7	Y305 T306	Y305-S312 CarbonylContact C-O 3.17Å; Y305-S312 WeakPolarHBondContact CA-O 2.97Å; T306-S312 VanDerWaalsContact C-OG 3.25Å; T306-S312 PolarHBondContact N-O 2.03Å; T306-S312 WeakPolarHBondContact O-CA 3.16Å; T306-S312 PolarHBondContact O-N 2.71Å; T306-S312 VanDerWaalsContact O-O 3.12Å; T306-S312 PolarHBondContact O-OG 3.46Å; T306-S312 PolarHBondContact OG1-OG 3.18Å; T306-S312 VanDerWaalsContact OG1-OG 3.05Å
313	I	83.5	Confident	68.1	Low	102 Å²	102	105.3 Å²	105.3	52%	0.523	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.8	130	179	-63.3	170.5	0	0	0	109.1	P304 Y305 K315	P304-I313 HydrophobicContact CB-CG2 3.89Å; P304-I313 HydrophobicContact CG-CG2 3.86Å; P304-I313 CarbonylContact O-C 3.56Å; P304-I313 WeakPolarHBondContact O-CA 3.27Å; Y305-I313 HydrophobicContact CD1-CG1 3.68Å; Y305-I313 HydrophobicContact CE1-CD1 4.03Å; Y305-I313 HydrophobicContact CE1-CG1 3.65Å; I313-K315 PolarHBondContact O-N 2.98Å
314	A	72	Confident	66.7	Low	44 Å²	44	105.7 Å²	105.7	36%	0.364	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-63.5	116.9	170.6	0	0	0	0	0	108.9	P304 T306 E316	P304-A314 VanDerWaalsContact O-CB 3.3Å; P304-A314 WeakPolarHBondContact O-CB 3.16Å; P304-A314 PolarHBondContact O-N 2.86Å; T306-A314 HydrophobicContact CG2-CB 3.8Å; A314-E316 PolarHBondContact O-N 2.79Å
315	K	69	Low	65.4	Low	204 Å²	204	105.2 Å²	105.2	89%	0.887	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-74.2	116.4	174.2	-63.6	-177.8	178.2	-176.1	0	107.9	I313	I313-K315 PolarHBondContact O-N 2.98Å
316	E	54	Low	63.8	Low	176 Å²	176	105.8 Å²	105.8	82%	0.822	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-67.1	158.5	177.5	-77.6	178.5	162.1	0	0	112.9	A314	A314-E316 PolarHBondContact O-N 2.79Å
317	D	45.1	Very low	62.3	Low	142 Å²	142	107.5 Å²	107.5	76%	0.759	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-69.3	128.1	-166.7	-51.6	-64.7	0	0	0	114.2
318	A	40.4	Very low	60.9	Low	96 Å²	96	112 Å²	112	79%	0.793	60%	0.599	S	S	*	*			trans	-148	37	164.6	0	0	0	0	0	112.4
319	E	40.7	Very low	59.5	Low	187 Å²	187	111.7 Å²	111.7	87%	0.874	59%	0.591	S	S	*	*			trans	-155	37.2	-175.4	-111.8	176.8	-131.5	0	0	114.9
320	E	48.3	Very low	58.2	Low	167 Å²	167	112.4 Å²	112.4	78%	0.78	60%	0.601	S	S	*	*			trans	-111.7	-8.6	177.3	-81	-163.4	159.7	0	0	116.2	S322	E320-S322 PolarHBondContact O-N 3.33Å
321	K	43.9	Very low	56.8	Low	211 Å²	211	116.8 Å²	116.8	92%	0.917	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-7.7	-175.1	-77	-174	178	179.2	0	116.2
322	S	45	Very low	55.6	Low	86 Å²	86	114.4 Å²	114.4	60%	0.601	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-21.8	-177.4	64.5	0	0	0	0	115	E320 T326	E320-S322 PolarHBondContact O-N 3.33Å; S322-T326 PolarHBondContact O-OG1 3.05Å
323	F	48.2	Very low	54.6	Low	152 Å²	152	118 Å²	118	67%	0.667	64%	0.635	S	S	*	*	H	α-helix	trans	-81	-34.9	-169.8	-145.1	-95.8	0	0	0	113.5	T326 I327	F323-T326 PolarHBondContact O-N 2.79Å; F323-I327 HydrophobicContact CD1-CD1 4.03Å; F323-I327 HydrophobicContact CE1-CD1 4.09Å
324	S	50.2	Low	53.7	Low	94 Å²	94	117 Å²	117	66%	0.657	63%	0.633	S	S	*	*	H	α-helix	trans	-66.3	-39.3	-178.6	177.8	0	0	0	0	112.8	T326 I327 L328	S324-T326 VanDerWaalsContact C-N 3.32Å; S324-T326 PolarHBondContact O-N 3.37Å; S324-I327 PolarHBondContact O-N 3.3Å; S324-L328 PolarHBondContact O-N 2.68Å
325	A	51.1	Low	53.4	Low	47 Å²	47	117.6 Å²	117.6	39%	0.388	63%	0.634	S	S	.	*	H	α-helix	trans	-62.7	-40.3	178.5	0	0	0	0	0	111.7	I327 L328 F329	A325-I327 VanDerWaalsContact C-N 3.35Å; A325-I327 PolarHBondContact O-N 3.36Å; A325-L328 PolarHBondContact O-N 3.09Å; A325-F329 HydrophobicContact CB-CE2 4.47Å; A325-F329 WeakPolarHBondContact O-CD2 3.29Å; A325-F329 PolarHBondContact O-N 2.88Å
326	T	53	Low	53.4	Low	92 Å²	92	111 Å²	111	56%	0.564	61%	0.614	S	S	*	*	H	α-helix	trans	-63.8	-38.8	-176.8	-50.3	0	0	0	0	112.3	S322 F323 S324 F329 A330	S322-T326 PolarHBondContact O-OG1 3.05Å; F323-T326 PolarHBondContact O-N 2.79Å; S324-T326 VanDerWaalsContact C-N 3.32Å; S324-T326 PolarHBondContact O-N 3.37Å; T326-F329 PolarHBondContact O-N 2.81Å; T326-A330 PolarHBondContact O-N 3.14Å; T326-A330 VanDerWaalsContact O-N 3.13Å
327	I	53.4	Low	54	Low	94 Å²	94	108 Å²	108	48%	0.482	60%	0.601	S	S	.	*	H	α-helix	trans	-68.2	-42.4	177.6	-62.8	174.3	0	0	0	110.3	F323 S324 A325 F329 A330 T331	F323-I327 HydrophobicContact CD1-CD1 4.03Å; F323-I327 HydrophobicContact CE1-CD1 4.09Å; S324-I327 PolarHBondContact O-N 3.3Å; A325-I327 VanDerWaalsContact C-N 3.35Å; A325-I327 PolarHBondContact O-N 3.36Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 2.64Å; I327-A330 PolarHBondContact O-N 3.3Å; I327-T331 HydrophobicContact CG2-CG2 4.29Å; I327-T331 PolarHBondContact O-N 3.18Å; I327-T331 PolarHBondContact O-OG1 2.69Å; I327-T331 VanDerWaalsContact O-OG1 3.07Å
328	L	54.7	Low	55.3	Low	121 Å²	121	105.5 Å²	105.5	63%	0.634	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-38.7	178.8	-152.3	81.3	0	0	0	111.9	S324 A325 A332	S324-L328 PolarHBondContact O-N 2.68Å; A325-L328 PolarHBondContact O-N 3.09Å; L328-A332 WeakPolarHBondContact O-CB 3.29Å; L328-A332 PolarHBondContact O-N 3.48Å; L328-A332 VanDerWaalsContact O-N 3.16Å
329	F	53.3	Low	56.6	Low	133 Å²	133	105.3 Å²	105.3	58%	0.583	57%	0.571	S	S	*	*	I	π-helix	trans	-65.9	-41.2	174.5	-81.4	-69.2	0	0	0	112.4	A325 T326 I327 F333	A325-F329 HydrophobicContact CB-CE2 4.47Å; A325-F329 WeakPolarHBondContact O-CD2 3.29Å; A325-F329 PolarHBondContact O-N 2.88Å; T326-F329 PolarHBondContact O-N 2.81Å; I327-F329 VanDerWaalsContact C-N 3.32Å; I327-F329 PolarHBondContact O-N 2.64Å; F329-F333 HydrophobicContact CD1-CD2 4.28Å; F329-F333 VanDerWaalsContact O-CB 3.27Å; F329-F333 WeakPolarHBondContact O-CB 3.47Å; F329-F333 PolarHBondContact O-N 3.14Å
330	A	58.1	Low	57.8	Low	56 Å²	56	98.6 Å²	98.6	46%	0.463	55%	0.548	S	S	.	.	I	π-helix	trans	-70.9	-40.1	-177.8	0	0	0	0	0	113	T326 I327 V334	T326-A330 PolarHBondContact O-N 3.14Å; T326-A330 VanDerWaalsContact O-N 3.13Å; I327-A330 PolarHBondContact O-N 3.3Å; A330-V334 WeakPolarHBondContact O-CB 3.3Å
331	T	60.2	Low	58.6	Low	92 Å²	92	94.1 Å²	94.1	56%	0.564	53%	0.532	S	S	*	.	I	π-helix	trans	-87.9	-28.9	-174	59.7	0	0	0	0	113.8	I327 P335	I327-T331 HydrophobicContact CG2-CG2 4.29Å; I327-T331 PolarHBondContact O-N 3.18Å; I327-T331 PolarHBondContact O-OG1 2.69Å; I327-T331 VanDerWaalsContact O-OG1 3.07Å; T331-P335 WeakPolarHBondContact O-CD 3.45Å; T331-P335 VanDerWaalsContact O-CG 3.31Å; T331-P335 WeakPolarHBondContact O-CG 3.29Å
332	A	61.1	Low	59.6	Low	56 Å²	56	87.4 Å²	87.4	46%	0.463	51%	0.506	S	S	.	.	I	π-helix	trans	-98.7	-43.5	-178.7	0	0	0	0	0	113.3	L328 S336	L328-A332 WeakPolarHBondContact O-CB 3.29Å; L328-A332 PolarHBondContact O-N 3.48Å; L328-A332 VanDerWaalsContact O-N 3.16Å; A332-S336 WeakPolarHBondContact O-CB 2.88Å
333	F	60.6	Low	60.5	Low	127 Å²	127	87.6 Å²	87.6	56%	0.557	50%	0.499	S	S	*	.	I	π-helix	trans	-83.6	-40	-170.5	-110.4	-89.6	0	0	0	113	F329 S336 M337	F329-F333 HydrophobicContact CD1-CD2 4.28Å; F329-F333 VanDerWaalsContact O-CB 3.27Å; F329-F333 WeakPolarHBondContact O-CB 3.47Å; F329-F333 PolarHBondContact O-N 3.14Å; F333-S336 PolarHBondContact O-N 3.09Å; F333-M337 WeakPolarHBondContact O-CG 3.46Å; F333-M337 PolarHBondContact O-N 3.5Å; F333-M337 VanDerWaalsContact O-N 3.08Å
334	V	66.3	Low	61.2	Low	79 Å²	79	83.6 Å²	83.6	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-46.2	-178.2	-177.7	0	0	0	0	111.9	A330 S336 M337 I338	A330-V334 WeakPolarHBondContact O-CB 3.3Å; V334-S336 PolarHBondContact O-N 3.02Å; V334-M337 PolarHBondContact O-N 3.39Å; V334-I338 HydrophobicContact CG1-CD1 3.93Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.22Å; V334-I338 PolarHBondContact O-N 3.04Å; V334-I338 VanDerWaalsContact O-N 3.12Å
335	P	64.7	Low	61.7	Low	58 Å²	58	83.5 Å²	83.5	38%	0.377	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-38.8	177.2	-21.8	35.3	0	0	0	112.5	T331 M337 I338 I339	T331-P335 WeakPolarHBondContact O-CD 3.45Å; T331-P335 VanDerWaalsContact O-CG 3.31Å; T331-P335 WeakPolarHBondContact O-CG 3.29Å; P335-M337 VanDerWaalsContact C-N 3.32Å; P335-M337 PolarHBondContact O-N 2.75Å; P335-I338 PolarHBondContact O-N 3Å; P335-I339 WeakPolarHBondContact O-CD1 3.27Å; P335-I339 WeakPolarHBondContact O-CG1 3.33Å; P335-I339 PolarHBondContact O-N 3.08Å
336	S	70.2	Confident	62	Low	66 Å²	66	83.6 Å²	83.6	46%	0.462	48%	0.479	S	S	.	.	H	α-helix	trans	-58.8	-42.3	176.9	167.9	0	0	0	0	112.2	A332 F333 V334 I339 A340	A332-S336 WeakPolarHBondContact O-CB 2.88Å; F333-S336 PolarHBondContact O-N 3.09Å; V334-S336 PolarHBondContact O-N 3.02Å; S336-I339 PolarHBondContact O-N 2.91Å; S336-A340 WeakPolarHBondContact O-CB 3.47Å; S336-A340 PolarHBondContact O-N 2.78Å
337	M	65.8	Low	62.2	Low	112 Å²	112	87.3 Å²	87.3	55%	0.552	49%	0.487	S	S	*	.	H	α-helix	trans	-69.8	-36.7	178.1	-69.9	-63.8	-67.5	0	0	112.7	F333 V334 P335 I339 T341	F333-M337 WeakPolarHBondContact O-CG 3.46Å; F333-M337 PolarHBondContact O-N 3.5Å; F333-M337 VanDerWaalsContact O-N 3.08Å; V334-M337 PolarHBondContact O-N 3.39Å; P335-M337 VanDerWaalsContact C-N 3.32Å; P335-M337 PolarHBondContact O-N 2.75Å; M337-I339 VanDerWaalsContact C-N 3.34Å; M337-T341 WeakPolarHBondContact O-CG2 3.45Å; M337-T341 PolarHBondContact O-N 3.28Å; M337-T341 PolarHBondContact O-OG1 3.02Å
338	I	71.3	Confident	62.6	Low	90 Å²	90	89.7 Å²	89.7	46%	0.462	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-41.5	173.3	-65	166.7	0	0	0	110	V334 P335 T341 L342	V334-I338 HydrophobicContact CG1-CD1 3.93Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.22Å; V334-I338 PolarHBondContact O-N 3.04Å; V334-I338 VanDerWaalsContact O-N 3.12Å; P335-I338 PolarHBondContact O-N 3Å; I338-T341 WeakPolarHBondContact CA-OG1 3.08Å; I338-T341 PolarHBondContact O-N 3.06Å; I338-T341 PolarHBondContact O-OG1 3.28Å; I338-L342 HydrophobicContact CG2-CD1 3.94Å; I338-L342 HydrophobicContact CG2-CG 4.41Å; I338-L342 WeakPolarHBondContact O-CB 3.4Å; I338-L342 VanDerWaalsContact O-CG 3.25Å; I338-L342 WeakPolarHBondContact O-CG 3.32Å; I338-L342 PolarHBondContact O-N 3.28Å
339	I	69.6	Low	63	Low	91 Å²	91	90.8 Å²	90.8	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-47.1	177.7	-67.9	161.8	0	0	0	110.8	P335 S336 M337 T341 L342 I343	P335-I339 WeakPolarHBondContact O-CD1 3.27Å; P335-I339 WeakPolarHBondContact O-CG1 3.33Å; P335-I339 PolarHBondContact O-N 3.08Å; S336-I339 PolarHBondContact O-N 2.91Å; M337-I339 VanDerWaalsContact C-N 3.34Å; I339-T341 VanDerWaalsContact C-N 3.33Å; I339-T341 PolarHBondContact O-N 2.97Å; I339-L342 PolarHBondContact O-N 3.19Å; I339-I343 HydrophobicContact CG2-CD1 3.69Å; I339-I343 HydrophobicContact CG2-CG1 4.4Å; I339-I343 VanDerWaalsContact O-CG1 3.27Å; I339-I343 WeakPolarHBondContact O-CG1 3.45Å; I339-I343 PolarHBondContact O-N 2.88Å
340	A	65.4	Low	63.1	Low	47 Å²	47	94.3 Å²	94.3	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-62.7	-38.9	-179.7	0	0	0	0	0	112.7	S336 S344	S336-A340 WeakPolarHBondContact O-CB 3.47Å; S336-A340 PolarHBondContact O-N 2.78Å; A340-S344 WeakPolarHBondContact O-CB 2.92Å; A340-S344 PolarHBondContact O-N 3.36Å; A340-S344 PolarHBondContact O-OG 2.92Å
341	T	65.6	Low	63	Low	72 Å²	72	94.3 Å²	94.3	44%	0.442	51%	0.513	S	S	.	.	H	α-helix	trans	-69.4	-42.2	176.3	44.9	0	0	0	0	111.7	M337 I338 I339 I343 S344 I345	M337-T341 WeakPolarHBondContact O-CG2 3.45Å; M337-T341 PolarHBondContact O-N 3.28Å; M337-T341 PolarHBondContact O-OG1 3.02Å; I338-T341 WeakPolarHBondContact CA-OG1 3.08Å; I338-T341 PolarHBondContact O-N 3.06Å; I338-T341 PolarHBondContact O-OG1 3.28Å; I339-T341 VanDerWaalsContact C-N 3.33Å; I339-T341 PolarHBondContact O-N 2.97Å; T341-I343 PolarHBondContact O-N 3.31Å; T341-S344 PolarHBondContact O-N 2.83Å; T341-I345 WeakPolarHBondContact O-CD1 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.24Å; T341-I345 WeakPolarHBondContact O-CG1 3.33Å; T341-I345 PolarHBondContact O-N 2.8Å
342	L	64.6	Low	62.8	Low	71 Å²	71	95.3 Å²	95.3	37%	0.372	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176	-71.4	173.7	0	0	0	112.3	I338 I339 S344 I345 C346 F361	I338-L342 HydrophobicContact CG2-CD1 3.94Å; I338-L342 HydrophobicContact CG2-CG 4.41Å; I338-L342 WeakPolarHBondContact O-CB 3.4Å; I338-L342 VanDerWaalsContact O-CG 3.25Å; I338-L342 WeakPolarHBondContact O-CG 3.32Å; I338-L342 PolarHBondContact O-N 3.28Å; I339-L342 PolarHBondContact O-N 3.19Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.14Å; L342-I345 PolarHBondContact O-N 2.95Å; L342-C346 VanDerWaalsContact O-CB 3.32Å; L342-C346 WeakPolarHBondContact O-CB 3.46Å; L342-C346 PolarHBondContact O-N 3.4Å; L342-C346 PolarHBondContact O-SG 3.32Å; L342-F361 HydrophobicContact CD1-CZ 4.11Å
343	I	62.9	Low	62.6	Low	90 Å²	90	95.9 Å²	95.9	46%	0.462	52%	0.523	S	S	.	.	H	α-helix	trans	-61.8	-44	174.4	-67.7	167.3	0	0	0	110.4	I339 T341 C346 F347	I339-I343 HydrophobicContact CG2-CD1 3.69Å; I339-I343 HydrophobicContact CG2-CG1 4.4Å; I339-I343 VanDerWaalsContact O-CG1 3.27Å; I339-I343 WeakPolarHBondContact O-CG1 3.45Å; I339-I343 PolarHBondContact O-N 2.88Å; T341-I343 PolarHBondContact O-N 3.31Å; I343-C346 PolarHBondContact O-N 3.08Å; I343-F347 HydrophobicContact CG2-CD2 3.97Å; I343-F347 HydrophobicContact CG2-CE2 4.15Å; I343-F347 WeakPolarHBondContact O-CD2 3.25Å; I343-F347 PolarHBondContact O-N 2.99Å
344	S	63.5	Low	62.4	Low	68 Å²	68	95 Å²	95	48%	0.476	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-43.9	178.7	-58.6	0	0	0	0	112	A340 T341 L342 F347 I348	A340-S344 WeakPolarHBondContact O-CB 2.92Å; A340-S344 PolarHBondContact O-N 3.36Å; A340-S344 PolarHBondContact O-OG 2.92Å; T341-S344 PolarHBondContact O-N 2.83Å; L342-S344 VanDerWaalsContact C-N 3.33Å; L342-S344 PolarHBondContact O-N 3.14Å; S344-F347 PolarHBondContact O-N 2.92Å; S344-I348 WeakPolarHBondContact O-CD1 3.42Å; S344-I348 WeakPolarHBondContact O-CG1 3.46Å; S344-I348 PolarHBondContact O-N 3.11Å
345	I	60.3	Low	61.7	Low	92 Å²	92	100.7 Å²	100.7	47%	0.472	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-41.4	177.1	-65.3	162.4	0	0	0	110.6	T341 L342 F347 I348 Q349	T341-I345 WeakPolarHBondContact O-CD1 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.24Å; T341-I345 WeakPolarHBondContact O-CG1 3.33Å; T341-I345 PolarHBondContact O-N 2.8Å; L342-I345 PolarHBondContact O-N 2.95Å; I345-F347 PolarHBondContact O-N 3.45Å; I345-I348 PolarHBondContact O-N 2.84Å; I345-I348 VanDerWaalsContact O-N 3.16Å; I345-Q349 PolarHBondContact O-N 3.37Å
346	C	56.6	Low	61.2	Low	49 Å²	49	102 Å²	102	33%	0.331	54%	0.543	S	S	.	.	H	α-helix	trans	-64.8	-37.1	177.7	-77.1	0	0	0	0	112.9	L342 I343 I348 Q349	L342-C346 VanDerWaalsContact O-CB 3.32Å; L342-C346 WeakPolarHBondContact O-CB 3.46Å; L342-C346 PolarHBondContact O-N 3.4Å; L342-C346 PolarHBondContact O-SG 3.32Å; I343-C346 PolarHBondContact O-N 3.08Å; C346-I348 VanDerWaalsContact C-N 3.25Å; C346-I348 PolarHBondContact O-N 3Å; C346-Q349 PolarHBondContact O-N 3.32Å
347	F	59.1	Low	60.4	Low	170 Å²	170	102.6 Å²	102.6	75%	0.746	54%	0.54	S	S	*	.	H	α-helix	trans	-63.2	-32.3	173.9	-100.8	-81	0	0	0	112.5	I343 S344 I345	I343-F347 HydrophobicContact CG2-CD2 3.97Å; I343-F347 HydrophobicContact CG2-CE2 4.15Å; I343-F347 WeakPolarHBondContact O-CD2 3.25Å; I343-F347 PolarHBondContact O-N 2.99Å; S344-F347 PolarHBondContact O-N 2.92Å; I345-F347 PolarHBondContact O-N 3.45Å
348	I	61.7	Low	59.9	Low	144 Å²	144	101.6 Å²	101.6	74%	0.738	54%	0.537	S	S	*	.	H	α-helix	trans	-74.3	-37.1	179.4	-63.4	163.6	0	0	0	111.1	S344 I345 C346 K350	S344-I348 WeakPolarHBondContact O-CD1 3.42Å; S344-I348 WeakPolarHBondContact O-CG1 3.46Å; S344-I348 PolarHBondContact O-N 3.11Å; I345-I348 PolarHBondContact O-N 2.84Å; I345-I348 VanDerWaalsContact O-N 3.16Å; C346-I348 VanDerWaalsContact C-N 3.25Å; C346-I348 PolarHBondContact O-N 3Å; I348-K350 PolarHBondContact O-N 2.85Å
349	Q	61.6	Low	59	Low	143 Å²	143	103.6 Å²	103.6	67%	0.668	55%	0.547	S	S	*	.	H	α-helix	trans	-86.2	-2.3	-167.7	-140.4	175.2	-10.6	0	0	115.3	I345 C346 S351	I345-Q349 PolarHBondContact O-N 3.37Å; C346-Q349 PolarHBondContact O-N 3.32Å; Q349-S351 PolarHBondContact O-N 3.33Å
350	K	57	Low	58.4	Low	208 Å²	208	106.3 Å²	106.3	90%	0.904	56%	0.558	S	S	*	*			trans	43.9	29.5	175	-104.1	-175.8	-176	178.6	0	113.9	I348	I348-K350 PolarHBondContact O-N 2.85Å
351	S	55.4	Low	57.9	Low	56 Å²	56	108.2 Å²	108.2	39%	0.392	56%	0.557	S	S	.	*			trans	-99.1	132	-169.3	175.3	0	0	0	0	109.9	Q349 C353 F354	Q349-S351 PolarHBondContact O-N 3.33Å; S351-C353 PolarHBondContact O-N 3.17Å; S351-C353 PolarHBondContact OG-N 3.01Å; S351-C353 PolarHBondContact OG-SG 3.44Å; S351-F354 PolarHBondContact O-N 3.27Å
352	S	55.6	Low	57.3	Low	113 Å²	113	107.7 Å²	107.7	79%	0.79	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	-2.8	176.1	42.4	0	0	0	0	114.4	F354	S352-F354 PolarHBondContact O-N 3.45Å; S352-F354 VanDerWaalsContact O-N 3.15Å
353	C	56.3	Low	56.6	Low	67 Å²	67	109 Å²	109	45%	0.453	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67	-4.5	171.4	-63	0	0	0	0	114.6	S351 W355 S356 I357	S351-C353 PolarHBondContact O-N 3.17Å; S351-C353 PolarHBondContact OG-N 3.01Å; S351-C353 PolarHBondContact OG-SG 3.44Å; C353-W355 PolarHBondContact O-N 3.24Å; C353-W355 VanDerWaalsContact O-N 3.15Å; C353-S356 PolarHBondContact O-N 2.81Å; C353-I357 HydrophobicContact CB-CD1 4.41Å; C353-I357 PolarHBondContact O-N 3.46Å
354	F	57.3	Low	56	Low	108 Å²	108	109 Å²	109	47%	0.474	57%	0.568	S	S	.	*	H	α-helix	trans	-48.4	-41.6	179.1	-174.5	-101.3	0	0	0	113.3	S351 S352 L358	S351-F354 PolarHBondContact O-N 3.27Å; S352-F354 PolarHBondContact O-N 3.45Å; S352-F354 VanDerWaalsContact O-N 3.15Å; F354-L358 HydrophobicContact CD1-CD1 4.19Å; F354-L358 HydrophobicContact CD2-CD1 4.41Å; F354-L358 HydrophobicContact CE1-CD1 3.78Å; F354-L358 HydrophobicContact CE2-CD1 4.02Å; F354-L358 HydrophobicContact CG-CD1 4.5Å; F354-L358 HydrophobicContact CZ-CD1 3.68Å; F354-L358 WeakPolarHBondContact O-CD1 3.22Å; F354-L358 PolarHBondContact O-N 3.22Å
355	W	50.9	Low	55.5	Low	200 Å²	200	110.5 Å²	110.5	76%	0.758	57%	0.574	S	S	*	*	H	α-helix	trans	-78.5	-35.4	-175.5	-71.6	95.8	0	0	0	113.9	C353 L359	C353-W355 PolarHBondContact O-N 3.24Å; C353-W355 VanDerWaalsContact O-N 3.15Å; W355-L359 PolarHBondContact O-N 2.96Å
356	S	54.3	Low	55.1	Low	86 Å²	86	110.3 Å²	110.3	60%	0.601	58%	0.577	S	S	*	*	H	α-helix	trans	-70.2	-34.3	178.6	-64.2	0	0	0	0	112.3	C353 L359 H360	C353-S356 PolarHBondContact O-N 2.81Å; S356-L359 PolarHBondContact O-N 3.1Å; S356-H360 PolarHBondContact O-N 2.83Å
357	I	54.3	Low	54.7	Low	77 Å²	77	110.4 Å²	110.4	40%	0.395	58%	0.582	S	S	.	*	H	α-helix	trans	-70.1	-45	177.3	-64.4	170.6	0	0	0	109.7	C353 L359 H360 F361	C353-I357 HydrophobicContact CB-CD1 4.41Å; C353-I357 PolarHBondContact O-N 3.46Å; I357-L359 PolarHBondContact O-N 2.96Å; I357-H360 PolarHBondContact O-N 3.29Å; I357-F361 HydrophobicContact CG2-CD2 3.64Å; I357-F361 HydrophobicContact CG2-CE2 3.67Å; I357-F361 VanDerWaalsContact O-CD2 3.29Å; I357-F361 WeakPolarHBondContact O-CD2 3.41Å; I357-F361 PolarHBondContact O-N 3.43Å; I357-F361 VanDerWaalsContact O-N 3.13Å
358	L	54	Low	54.1	Low	92 Å²	92	107 Å²	107	48%	0.482	57%	0.571	S	S	.	*	H	α-helix	trans	-56.9	-37.2	176.1	-109.1	99.1	0	0	0	113	F354 F361 S362	F354-L358 HydrophobicContact CD1-CD1 4.19Å; F354-L358 HydrophobicContact CD2-CD1 4.41Å; F354-L358 HydrophobicContact CE1-CD1 3.78Å; F354-L358 HydrophobicContact CE2-CD1 4.02Å; F354-L358 HydrophobicContact CG-CD1 4.5Å; F354-L358 HydrophobicContact CZ-CD1 3.68Å; F354-L358 WeakPolarHBondContact O-CD1 3.22Å; F354-L358 PolarHBondContact O-N 3.22Å; L358-F361 PolarHBondContact O-N 3.14Å; L358-S362 PolarHBondContact O-N 2.86Å; L358-S362 VanDerWaalsContact O-N 3.11Å
359	L	53.5	Low	53.5	Low	131 Å²	131	102.6 Å²	102.6	69%	0.686	56%	0.557	S	S	*	*	H	α-helix	trans	-69.9	-37.5	-178.8	-162.7	76.2	0	0	0	112.6	W355 S356 I357 F361 S362	W355-L359 PolarHBondContact O-N 2.96Å; S356-L359 PolarHBondContact O-N 3.1Å; I357-L359 PolarHBondContact O-N 2.96Å; L359-F361 VanDerWaalsContact C-N 3.3Å; L359-S362 PolarHBondContact O-OG 3.22Å
360	H	56.1	Low	52.8	Low	148 Å²	148	102.7 Å²	102.7	69%	0.685	56%	0.557	S	S	*	*	H	α-helix	trans	-69.8	-29.4	173.5	-103.6	-66.2	0	0	0	112.3	S356 I357	S356-H360 PolarHBondContact O-N 2.83Å; I357-H360 PolarHBondContact O-N 3.29Å
361	F	56.3	Low	52.3	Low	87 Å²	87	98.5 Å²	98.5	38%	0.382	54%	0.544	S	S	.	.	H	α-helix	trans	-78.6	-30.5	-179.1	-90.3	-76.9	0	0	0	114.2	L342 I357 L358 L359 V363 L364 V365	L342-F361 HydrophobicContact CD1-CZ 4.11Å; I357-F361 HydrophobicContact CG2-CD2 3.64Å; I357-F361 HydrophobicContact CG2-CE2 3.67Å; I357-F361 VanDerWaalsContact O-CD2 3.29Å; I357-F361 WeakPolarHBondContact O-CD2 3.41Å; I357-F361 PolarHBondContact O-N 3.43Å; I357-F361 VanDerWaalsContact O-N 3.13Å; L358-F361 PolarHBondContact O-N 3.14Å; L359-F361 VanDerWaalsContact C-N 3.3Å; F361-V363 PolarHBondContact O-N 2.9Å; F361-L364 HydrophobicContact CD1-CD1 4.36Å; F361-L364 HydrophobicContact CE1-CD1 4.4Å; F361-L364 PolarHBondContact O-N 3.07Å; F361-L364 VanDerWaalsContact O-N 3.07Å; F361-V365 WeakPolarHBondContact O-CG2 3.44Å; F361-V365 PolarHBondContact O-N 3.02Å
362	S	51.7	Low	52	Low	62 Å²	62	104.2 Å²	104.2	43%	0.434	56%	0.558	S	S	.	*	H	α-helix	trans	-59.3	-31.6	173.1	65.9	0	0	0	0	111.7	L358 L359 V366	L358-S362 PolarHBondContact O-N 2.86Å; L358-S362 VanDerWaalsContact O-N 3.11Å; L359-S362 PolarHBondContact O-OG 3.22Å; S362-V366 VanDerWaalsContact O-CG2 3.26Å; S362-V366 WeakPolarHBondContact O-CG2 3.12Å; S362-V366 PolarHBondContact O-N 2.92Å
363	V	51	Low	51.6	Low	98 Å²	98	103.3 Å²	103.3	59%	0.594	55%	0.547	S	S	*	.	H	α-helix	trans	-69.1	-38.9	175	-176.5	0	0	0	0	112	F361 V366 A367	F361-V363 PolarHBondContact O-N 2.9Å; V363-V366 PolarHBondContact O-N 3.32Å; V363-A367 PolarHBondContact O-N 3.37Å
364	L	50	Low	50.9	Low	91 Å²	91	102.4 Å²	102.4	48%	0.476	55%	0.545	S	S	.	.	H	α-helix	trans	-68.7	-41.5	177.1	-100.1	144.3	0	0	0	112.3	F361 V366 A367 D368	F361-L364 HydrophobicContact CD1-CD1 4.36Å; F361-L364 HydrophobicContact CE1-CD1 4.4Å; F361-L364 PolarHBondContact O-N 3.07Å; F361-L364 VanDerWaalsContact O-N 3.07Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 3.37Å; L364-A367 WeakPolarHBondContact O-CB 3.46Å; L364-A367 PolarHBondContact O-N 3.23Å; L364-A367 VanDerWaalsContact O-N 3.13Å; L364-D368 PolarHBondContact O-N 3.07Å
365	V	53.2	Low	50.4	Low	99 Å²	99	100.1 Å²	100.1	60%	0.6	54%	0.542	S	S	*	.	H	α-helix	trans	-62.9	-37.2	175.9	176.5	0	0	0	0	111	F361 A369	F361-V365 WeakPolarHBondContact O-CG2 3.44Å; F361-V365 PolarHBondContact O-N 3.02Å; V365-A369 VanDerWaalsContact O-CB 3.31Å; V365-A369 WeakPolarHBondContact O-CB 3.43Å; V365-A369 PolarHBondContact O-N 3.45Å
366	V	51.3	Low	49.9	Very low	87 Å²	87	92 Å²	92	53%	0.527	52%	0.517	S	S	.	.	H	α-helix	trans	-69.1	-38.5	174.6	175.5	0	0	0	0	111.1	S362 V363 L364 A369 Q370	S362-V366 VanDerWaalsContact O-CG2 3.26Å; S362-V366 WeakPolarHBondContact O-CG2 3.12Å; S362-V366 PolarHBondContact O-N 2.92Å; V363-V366 PolarHBondContact O-N 3.32Å; L364-V366 VanDerWaalsContact C-N 3.27Å; L364-V366 PolarHBondContact O-N 3.37Å; V366-A369 PolarHBondContact O-N 3.38Å; V366-Q370 WeakPolarHBondContact O-CG 3.26Å; V366-Q370 PolarHBondContact O-N 2.85Å
367	A	47.2	Very low	49.3	Very low	52 Å²	52	92.1 Å²	92.1	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-64.7	-41.9	175.6	0	0	0	0	0	112.4	V363 L364 Q370 L371	V363-A367 PolarHBondContact O-N 3.37Å; L364-A367 WeakPolarHBondContact O-CB 3.46Å; L364-A367 PolarHBondContact O-N 3.23Å; L364-A367 VanDerWaalsContact O-N 3.13Å; A367-Q370 PolarHBondContact O-N 3.18Å; A367-L371 PolarHBondContact O-N 3.34Å
368	D	48.3	Very low	48.5	Very low	97 Å²	97	91.9 Å²	91.9	52%	0.519	52%	0.519	S	S	.	.	H	α-helix	trans	-69.5	-37.4	176.4	-77	-22.1	0	0	0	111.9	L364 Q370 L371 Y372	L364-D368 PolarHBondContact O-N 3.07Å; D368-Q370 VanDerWaalsContact C-N 3.27Å; D368-Q370 PolarHBondContact O-N 2.86Å; D368-L371 PolarHBondContact O-N 3.44Å; D368-L371 VanDerWaalsContact O-N 3.16Å; D368-Y372 WeakPolarHBondContact O-CB 3.32Å; D368-Y372 PolarHBondContact O-N 2.94Å
369	A	48.2	Very low	47.7	Very low	53 Å²	53	94.9 Å²	94.9	44%	0.438	53%	0.53	S	S	.	.	H	α-helix	trans	-61.8	-37.3	171.8	0	0	0	0	0	111.3	V365 V366 Y372 V373	V365-A369 VanDerWaalsContact O-CB 3.31Å; V365-A369 WeakPolarHBondContact O-CB 3.43Å; V365-A369 PolarHBondContact O-N 3.45Å; V366-A369 PolarHBondContact O-N 3.38Å; A369-Y372 PolarHBondContact O-N 3.48Å; A369-V373 VanDerWaalsContact O-CG2 3.29Å; A369-V373 WeakPolarHBondContact O-CG2 3.46Å; A369-V373 PolarHBondContact O-N 3.43Å
370	Q	47.1	Very low	46.8	Very low	144 Å²	144	96.4 Å²	96.4	67%	0.673	54%	0.536	S	S	*	.	H	α-helix	trans	-69.4	-36	173.3	-71	-156.2	-16.3	0	0	112.7	V366 A367 D368 Y372 A374	V366-Q370 WeakPolarHBondContact O-CG 3.26Å; V366-Q370 PolarHBondContact O-N 2.85Å; A367-Q370 PolarHBondContact O-N 3.18Å; D368-Q370 VanDerWaalsContact C-N 3.27Å; D368-Q370 PolarHBondContact O-N 2.86Å; Q370-Y372 VanDerWaalsContact C-N 3.35Å; Q370-A374 VanDerWaalsContact O-CB 3.29Å; Q370-A374 WeakPolarHBondContact O-CB 3.18Å; Q370-A374 PolarHBondContact O-N 3.46Å
371	L	47.1	Very low	45.6	Very low	121 Å²	121	93 Å²	93	63%	0.634	53%	0.534	S	S	*	.	H	α-helix	trans	-68.5	-35.6	175	-153.2	77.3	0	0	0	111.7	A367 D368 A374 S375	A367-L371 PolarHBondContact O-N 3.34Å; D368-L371 PolarHBondContact O-N 3.44Å; D368-L371 VanDerWaalsContact O-N 3.16Å; L371-A374 CarbonylContact O-C 3.31Å; L371-A374 WeakPolarHBondContact O-CB 2.99Å; L371-A374 PolarHBondContact O-N 3.28Å; L371-S375 PolarHBondContact O-N 2.92Å; L371-S375 PolarHBondContact O-OG 3.14Å
372	Y	48.4	Very low	44.3	Very low	176 Å²	176	94.1 Å²	94.1	69%	0.69	54%	0.543	S	S	*	.	H	α-helix	trans	-70	-40.5	176.1	-157.5	-87.1	0	0	0	112	D368 A369 Q370 A374 S375 A376	D368-Y372 WeakPolarHBondContact O-CB 3.32Å; D368-Y372 PolarHBondContact O-N 2.94Å; A369-Y372 PolarHBondContact O-N 3.48Å; Q370-Y372 VanDerWaalsContact C-N 3.35Å; Y372-A374 VanDerWaalsContact C-N 3.3Å; Y372-S375 WeakPolarHBondContact CA-OG 3.15Å; Y372-S375 PolarHBondContact O-N 2.96Å; Y372-S375 PolarHBondContact O-OG 3.26Å; Y372-A376 VanDerWaalsContact O-CB 3.27Å; Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 3.37Å
373	V	46.7	Very low	43	Very low	93 Å²	93	102.4 Å²	102.4	56%	0.564	57%	0.565	S	S	*	*	H	α-helix	trans	-66	-37.6	171.2	175.5	0	0	0	0	110	A369 A376 V377	A369-V373 VanDerWaalsContact O-CG2 3.29Å; A369-V373 WeakPolarHBondContact O-CG2 3.46Å; A369-V373 PolarHBondContact O-N 3.43Å; V373-A376 PolarHBondContact O-N 2.86Å; V373-V377 HydrophobicContact CG1-CG2 4.11Å; V373-V377 VanDerWaalsContact O-CB 3.25Å; V373-V377 WeakPolarHBondContact O-CB 3.43Å; V373-V377 WeakPolarHBondContact O-CG2 3.47Å; V373-V377 PolarHBondContact O-N 3.22Å
374	A	42.4	Very low	42.1	Very low	49 Å²	49	102.2 Å²	102.2	41%	0.405	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-40.5	174.7	0	0	0	0	0	112.2	Q370 L371 Y372 C378	Q370-A374 VanDerWaalsContact O-CB 3.29Å; Q370-A374 WeakPolarHBondContact O-CB 3.18Å; Q370-A374 PolarHBondContact O-N 3.46Å; L371-A374 CarbonylContact O-C 3.31Å; L371-A374 WeakPolarHBondContact O-CB 2.99Å; L371-A374 PolarHBondContact O-N 3.28Å; Y372-A374 VanDerWaalsContact C-N 3.3Å; A374-C378 VanDerWaalsContact O-CB 3.28Å; A374-C378 WeakPolarHBondContact O-CB 3.07Å; A374-C378 PolarHBondContact O-N 3.16Å; A374-C378 PolarHBondContact O-SG 2.61Å
375	S	46	Very low	40.9	Very low	59 Å²	59	103.6 Å²	103.6	41%	0.413	58%	0.583	S	S	.	*	H	α-helix	trans	-71.8	-38.7	176	64.7	0	0	0	0	112.4	L371 Y372 C378 E379	L371-S375 PolarHBondContact O-N 2.92Å; L371-S375 PolarHBondContact O-OG 3.14Å; Y372-S375 WeakPolarHBondContact CA-OG 3.15Å; Y372-S375 PolarHBondContact O-N 2.96Å; Y372-S375 PolarHBondContact O-OG 3.26Å; S375-C378 CarbonylContact O-C 3.6Å; S375-C378 WeakPolarHBondContact O-CA 3.31Å; S375-C378 WeakPolarHBondContact O-CB 3.48Å; S375-C378 PolarHBondContact O-N 3.35Å; S375-E379 PolarHBondContact O-N 2.76Å
376	A	41.7	Very low	39.7	Very low	29 Å²	29	109.4 Å²	109.4	24%	0.24	59%	0.594	C	S	.	*	H	α-helix	trans	-67	-39.2	175.9	0	0	0	0	0	111.5	Y372 V373 C378 E379 M380	Y372-A376 VanDerWaalsContact O-CB 3.27Å; Y372-A376 WeakPolarHBondContact O-CB 3.37Å; Y372-A376 PolarHBondContact O-N 3.37Å; V373-A376 PolarHBondContact O-N 2.86Å; A376-C378 VanDerWaalsContact C-N 3.32Å; A376-E379 PolarHBondContact O-N 2.71Å; A376-M380 WeakPolarHBondContact O-CG 3.46Å; A376-M380 PolarHBondContact O-N 3.11Å
377	V	41.1	Very low	38.5	Very low	90 Å²	90	110.5 Å²	110.5	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-67.8	-35.4	172	173.4	0	0	0	0	110.5	V373 M380 A381	V373-V377 HydrophobicContact CG1-CG2 4.11Å; V373-V377 VanDerWaalsContact O-CB 3.25Å; V373-V377 WeakPolarHBondContact O-CB 3.43Å; V373-V377 WeakPolarHBondContact O-CG2 3.47Å; V373-V377 PolarHBondContact O-N 3.22Å; V377-M380 PolarHBondContact O-N 2.74Å; V377-A381 WeakPolarHBondContact O-CB 3.11Å; V377-A381 PolarHBondContact O-N 3.47Å
378	C	37.1	Very low	37.7	Very low	71 Å²	71	116.8 Å²	116.8	48%	0.48	62%	0.624	S	S	.	*	H	α-helix	trans	-66.9	-37.7	170.2	-86.8	0	0	0	0	112.6	A374 S375 A376 M380 A381 D382	A374-C378 VanDerWaalsContact O-CB 3.28Å; A374-C378 WeakPolarHBondContact O-CB 3.07Å; A374-C378 PolarHBondContact O-N 3.16Å; A374-C378 PolarHBondContact O-SG 2.61Å; S375-C378 CarbonylContact O-C 3.6Å; S375-C378 WeakPolarHBondContact O-CA 3.31Å; S375-C378 WeakPolarHBondContact O-CB 3.48Å; S375-C378 PolarHBondContact O-N 3.35Å; A376-C378 VanDerWaalsContact C-N 3.32Å; C378-M380 VanDerWaalsContact C-N 3.32Å; C378-M380 PolarHBondContact O-N 2.97Å; C378-A381 CarbonylContact O-C 3.45Å; C378-A381 PolarHBondContact O-N 3.44Å; C378-A381 VanDerWaalsContact O-N 3.08Å; C378-D382 VanDerWaalsContact O-CB 3.32Å; C378-D382 WeakPolarHBondContact O-CB 3.33Å; C378-D382 PolarHBondContact O-N 2.78Å
379	E	36.4	Very low	36.6	Very low	155 Å²	155	124 Å²	124	72%	0.724	64%	0.644	S	S	*	*	H	α-helix	trans	-69.3	-30.1	176	-91.1	-174.8	154.1	0	0	112.5	S375 A376 A381	S375-E379 PolarHBondContact O-N 2.76Å; A376-E379 PolarHBondContact O-N 2.71Å; E379-A381 VanDerWaalsContact C-N 3.33Å
380	M	34.6	Very low	35.5	Very low	163 Å²	163	133.1 Å²	133.1	80%	0.803	67%	0.667	S	S	*	*	H	α-helix	trans	-74.1	-27.1	169.7	-63.3	-175.3	-154.2	0	0	112.1	A376 V377 C378	A376-M380 WeakPolarHBondContact O-CG 3.46Å; A376-M380 PolarHBondContact O-N 3.11Å; V377-M380 PolarHBondContact O-N 2.74Å; C378-M380 VanDerWaalsContact C-N 3.32Å; C378-M380 PolarHBondContact O-N 2.97Å
381	A	32.3	Very low	34.6	Very low	77 Å²	77	137.6 Å²	137.6	64%	0.636	68%	0.677	S	S	*	*	H	α-helix	trans	-86.4	-26.2	176.7	0	0	0	0	0	113.5	V377 C378 E379	V377-A381 WeakPolarHBondContact O-CB 3.11Å; V377-A381 PolarHBondContact O-N 3.47Å; C378-A381 CarbonylContact O-C 3.45Å; C378-A381 PolarHBondContact O-N 3.44Å; C378-A381 VanDerWaalsContact O-N 3.08Å; E379-A381 VanDerWaalsContact C-N 3.33Å
382	D	28.8	Very low	33.7	Very low	110 Å²	110	137.9 Å²	137.9	59%	0.588	69%	0.686	S	S	*	*			trans	-102.3	74.7	176.7	-89.5	-29.1	0	0	0	109	C378 P384	C378-D382 VanDerWaalsContact O-CB 3.32Å; C378-D382 WeakPolarHBondContact O-CB 3.33Å; C378-D382 PolarHBondContact O-N 2.78Å; D382-P384 HydrophobicContact CB-CG 4.1Å; D382-P384 WeakPolarHBondContact O-CD 3.49Å
383	R	24.7	Very low	32.8	Very low	237 Å²	237	141.5 Å²	141.5	89%	0.894	70%	0.699	S	S	*	*			trans	-95.6	89.6	136.6	-78.1	-174.4	178.1	176.5	0.8	107.7
384	P	31.2	Very low	31.8	Very low	93 Å²	93	146.4 Å²	146.4	60%	0.604	72%	0.718	S	S	*	*			trans	-95.7	119.9	176.5	16.5	4.2	0	0	0	109.4	D382 R386	D382-P384 HydrophobicContact CB-CG 4.1Å; D382-P384 WeakPolarHBondContact O-CD 3.49Å; P384-R386 PolarHBondContact O-N 3.18Å
385	S	26.2	Very low	31.2	Very low	121 Å²	121	147.2 Å²	147.2	85%	0.846	73%	0.731	S	S	*	*			trans	-66	96.3	159.5	57.7	0	0	0	0	109.7
386	R	25.9	Very low	30.3	Very low	220 Å²	220	151.6 Å²	151.6	83%	0.83	75%	0.75	S	S	*	*			trans	46.1	114.3	137.6	-72.9	179.6	167.9	177.7	-6.6	120.7	P384	P384-R386 PolarHBondContact O-N 3.18Å
387	S	26.8	Very low	29.7	Very low	110 Å²	110	156.1 Å²	156.1	77%	0.769	78%	0.777	S	S	*	*			trans	69.7	132	138.9	77.9	0	0	0	0	118
388	K	30.9	Very low	29.1	Very low	185 Å²	185	159.6 Å²	159.6	80%	0.804	79%	0.792	S	S	*	*			cis	-145.7	119	46.3	-72.9	170.1	177.6	168.5	0	111.8
389	R	25.3	Very low	28.7	Very low	249 Å²	249	161.8 Å²	161.8	94%	0.94	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-90.2	127.2	151.9	-80.7	-179.3	176.7	175.8	-0.3	107.8
390	R	25.4	Very low	28.2	Very low	244 Å²	244	159.7 Å²	159.7	92%	0.921	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-103.7	131.4	158.3	-83.3	-171.5	175.5	-175.2	1.3	108.2
391	R	28.5	Very low	27.9	Very low	237 Å²	237	156 Å²	156	89%	0.894	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-70.7	154.5	176.1	-74.8	-174.2	-176.5	-172	3.2	111.7
392	P	26.4	Very low	27.7	Very low	127 Å²	127	161.7 Å²	161.7	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.8	140.3	175.6	20.2	-11.6	0	0	0	111.7
393	R	30.8	Very low	27.4	Very low	252 Å²	252	162.2 Å²	162.2	95%	0.951	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-93.7	122	165.1	-72.3	-175.3	-160.5	174.9	4.8	108.8
394	M	25.5	Very low	27.5	Very low	197 Å²	197	159.4 Å²	159.4	97%	0.97	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-77.8	144.5	156.2	-81.4	176.4	166.7	0	0	108.9
395	G	29	Very low	27.4	Very low	66 Å²	66	164.3 Å²	164.3	68%	0.68	84%	0.836	S	S	*	*			trans	122	79.9	166.1	0	0	0	0	0	113.3
396	D	28.3	Very low	27.3	Very low	151 Å²	151	164.2 Å²	164.2	81%	0.807	83%	0.825	S	S	*	*			trans	-163.6	108	137.7	-85.6	-28.3	0	0	0	107.5	L398	D396-L398 PolarHBondContact O-N 3.44Å
397	P	28.9	Very low	27.5	Very low	124 Å²	124	160.3 Å²	160.3	81%	0.805	83%	0.825	S	S	*	*			trans	-85.8	99.1	169.6	31	-25.9	0	0	0	109
398	L	28.7	Very low	27.4	Very low	163 Å²	163	160.5 Å²	160.5	85%	0.853	82%	0.822	S	S	*	*			trans	-102.5	90	165.2	-78.8	165.5	0	0	0	109.2	D396	D396-L398 PolarHBondContact O-N 3.44Å
399	V	27.8	Very low	27.3	Very low	116 Å²	116	155.8 Å²	155.8	70%	0.703	82%	0.817	S	S	*	*			trans	30.5	99.9	144.8	-167.1	0	0	0	0	116.4	S401	V399-S401 VanDerWaalsContact CG1-OG 3.3Å; V399-S401 WeakPolarHBondContact CG1-OG 3.41Å; V399-S401 PolarHBondContact O-N 2.86Å
400	A	25.3	Very low	27.4	Very low	112 Å²	112	152.1 Å²	152.1	93%	0.926	82%	0.816	S	S	*	*			trans	-78.7	87.9	159.7	0	0	0	0	0	109.4
401	S	28.9	Very low	27.4	Very low	86 Å²	86	146 Å²	146	60%	0.601	81%	0.811	S	S	*	*			trans	-150.8	73	165.4	67.6	0	0	0	0	110.1	V399	V399-S401 VanDerWaalsContact CG1-OG 3.3Å; V399-S401 WeakPolarHBondContact CG1-OG 3.41Å; V399-S401 PolarHBondContact O-N 2.86Å
402	E	28.2	Very low	27.4	Very low	196 Å²	196	142.6 Å²	142.6	92%	0.916	81%	0.81	S	S	*	*			trans	-165.3	57.8	157.2	-106.4	166.2	-142.6	0	0	107.8
403	C	23.6	Very low	27.3	Very low	121 Å²	121	149 Å²	149	82%	0.818	82%	0.817	S	S	*	*			trans	-119.8	106.4	157.3	-77.4	0	0	0	0	105.9
404	F	26.6	Very low	27	Very low	177 Å²	177	141.4 Å²	141.4	78%	0.776	80%	0.803	S	S	*	*			trans	154.5	95.7	146.3	-105	-100.1	0	0	0	109.2	I406	F404-I406 HydrophobicContact CD1-CD1 3.88Å; F404-I406 HydrophobicContact CD1-CG1 4.25Å; F404-I406 HydrophobicContact CE1-CD1 3.44Å; F404-I406 VanDerWaalsContact CE1-CD1 3.44Å; F404-I406 HydrophobicContact CE1-CG1 4.24Å; F404-I406 HydrophobicContact CZ-CD1 4.34Å
405	E	28.2	Very low	26.8	Very low	197 Å²	197	143 Å²	143	92%	0.921	80%	0.798	S	S	*	*			trans	-140.5	116	133.1	-79.5	-158.4	161.3	0	0	108.3
406	I	25	Very low	26.8	Very low	118 Å²	118	149.6 Å²	149.6	61%	0.605	81%	0.808	S	S	*	*			trans	-87.8	116.8	177.1	-67.9	167.6	0	0	0	106.4	F404 T408	F404-I406 HydrophobicContact CD1-CD1 3.88Å; F404-I406 HydrophobicContact CD1-CG1 4.25Å; F404-I406 HydrophobicContact CE1-CD1 3.44Å; F404-I406 VanDerWaalsContact CE1-CD1 3.44Å; F404-I406 HydrophobicContact CE1-CG1 4.24Å; F404-I406 HydrophobicContact CZ-CD1 4.34Å; I406-T408 HydrophobicContact CG2-CG2 4.31Å
407	V	29.1	Very low	26.5	Very low	139 Å²	139	151.6 Å²	151.6	84%	0.842	81%	0.812	S	S	*	*			trans	-127.6	94.5	151.8	-177.2	0	0	0	0	108.2
408	T	25.9	Very low	26.2	Very low	114 Å²	114	150.7 Å²	150.7	70%	0.699	81%	0.809	S	S	*	*			trans	-55.7	157.1	159.8	33	0	0	0	0	112.3	I406	I406-T408 HydrophobicContact CG2-CG2 4.31Å
409	A	27.2	Very low	25.9	Very low	85 Å²	85	153.8 Å²	153.8	70%	0.702	81%	0.81	S	S	*	*			trans	87.1	98.9	163.6	0	0	0	0	0	116.4
410	N	27.3	Very low	25.5	Very low	173 Å²	173	157.7 Å²	157.7	93%	0.925	82%	0.817	S	S	*	*			trans	-161.1	69.6	133.5	-94.6	-27.4	0	0	0	110.4
411	S	25.5	Very low	25.6	Very low	116 Å²	116	161 Å²	161	81%	0.811	81%	0.814	S	S	*	*			trans	-97.4	90.1	159.8	157.2	0	0	0	0	107.3
412	L	30	Very low	25.5	Very low	165 Å²	165	163.2 Å²	163.2	86%	0.864	82%	0.823	S	S	*	*			trans	-166.2	72.5	159.3	-101.2	162.5	0	0	0	107.6
413	R	24.3	Very low	25.6	Very low	261 Å²	261	159.7 Å²	159.7	99%	0.985	82%	0.817	S	S	*	*			trans	-102.8	87.4	174.5	-142.8	176.5	-168.1	177.9	4	108
414	S	23.7	Very low	25.7	Very low	92 Å²	92	163 Å²	163	64%	0.643	82%	0.818	S	S	*	*			trans	-140.8	119.3	172.9	142	0	0	0	0	109.7
415	R	22.3	Very low	25.8	Very low	231 Å²	231	163.8 Å²	163.8	87%	0.872	82%	0.824	S	S	*	*			trans	62.1	107.3	154.7	-64.8	178.4	175.8	179.6	-0.8	118.2
416	K	28.1	Very low	25.6	Very low	205 Å²	205	158.8 Å²	158.8	89%	0.891	82%	0.816	S	S	*	*				179.8	123.5	107.9	-99.9	172.3	177.6	177.9	0	110.3
417	E	21.1	Very low	26	Very low	192 Å²	192	159.4 Å²	159.4	90%	0.897	83%	0.828	S	S	*	*			trans	-63.7	137.9	158.8	-69.6	166.3	135.2	0	0	109.6
418	S	23.6	Very low	25.8	Very low	106 Å²	106	164.3 Å²	164.3	74%	0.741	83%	0.831	S	S	*	*			trans	-175.9	134	130.2	54.8	0	0	0	0	112
419	R	21.4	Very low	25.7	Very low	228 Å²	228	167 Å²	167	86%	0.86	84%	0.84	S	S	*	*			trans	60	114.6	144.2	-72.4	-178.7	-163.2	-172.1	4.8	121.1
420	F	21.1	Very low	25.7	Very low	197 Å²	197	171.4 Å²	171.4	86%	0.864	85%	0.851	S	S	*	*				52.6	111.9	118.9	-103.9	-99.2	0	0	0	117.9
421	E	27.1	Very low	25.7	Very low	183 Å²	183	172.6 Å²	172.6	86%	0.855	85%	0.848	S	S	*	*				-176.5	139.7	107.7	-101.1	168.6	178	0	0	111.1
422	V	25.4	Very low	25.9	Very low	131 Å²	131	172.5 Å²	172.5	79%	0.794	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-95.5	119.7	176	173	0	0	0	0	107.9
423	P	31.1	Very low	25.7	Very low	122 Å²	122	172.8 Å²	172.8	79%	0.792	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-84.8	118.3	164.3	-3	22	0	0	0	109
424	K	25.1	Very low	25.9	Very low	190 Å²	190	165.6 Å²	165.6	83%	0.826	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-80	127	158.9	-67.7	172.5	178.1	172.9	0	107
425	E	29.8	Very low	26.1	Very low	195 Å²	195	168.9 Å²	168.9	91%	0.911	84%	0.844	S	S	*	*			trans	-172.1	123	137.2	-107.6	161.8	-173	0	0	111.3
426	A	24.6	Very low	26.4	Very low	91 Å²	91	164.4 Å²	164.4	75%	0.752	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-95.8	128.5	172.7	0	0	0	0	0	108.7
427	P	32.9	Very low	26.2	Very low	132 Å²	132	159.7 Å²	159.7	86%	0.857	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-76.3	142.1	172.3	-12	28.3	0	0	0	111.4
428	R	25.2	Very low	26.7	Very low	241 Å²	241	156.3 Å²	156.3	91%	0.909	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-81.8	155.8	-173.8	-66.8	176.5	-176.6	-179.8	1.2	113
429	L	22.1	Very low	26.8	Very low	170 Å²	170	160.1 Å²	160.1	89%	0.89	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-49.2	138.8	173.2	-66.2	146.5	0	0	0	114.9
430	L	28.7	Very low	26.9	Very low	178 Å²	178	154.7 Å²	154.7	93%	0.932	83%	0.828	S	S	*	*			trans	-120.2	135.3	153.5	-91.2	156.9	0	0	0	108.9
431	K	27.6	Very low	27.2	Very low	198 Å²	198	153.7 Å²	153.7	86%	0.861	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.7	166.9	-171.4	-89	-178.6	179.9	179.5	0	112.6
432	P	28.3	Very low	26.9	Very low	115 Å²	115	151.1 Å²	151.1	75%	0.747	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-97.1	156.8	-160.7	36.8	-32.2	0	0	0	115.1
433	N	25.6	Very low	26.8	Very low	170 Å²	170	150.9 Å²	150.9	91%	0.909	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-94.4	135.9	168.1	-82.3	-10.6	0	0	0	111.6
434	P	29.1	Very low	26.4	Very low	110 Å²	110	154 Å²	154	71%	0.714	83%	0.834	S	S	*	*			trans	-112.3	130	164.6	33.7	-21.8	0	0	0	111.8
435	L	27.4	Very low	26.3	Very low	161 Å²	161	153.5 Å²	153.5	84%	0.843	83%	0.834	S	S	*	*			trans	168.5	137.2	165	-88.4	139.3	0	0	0	103.7
436	D	28.7	Very low	26	Very low	138 Å²	138	154.2 Å²	154.2	74%	0.738	83%	0.834	S	S	*	*			cis	-162.4	155.7	21	-130.3	-24.5	0	0	0	108.8
437	S	24.8	Very low	26	Very low	105 Å²	105	155.3 Å²	155.3	73%	0.734	83%	0.834	S	S	*	*			trans	-72.8	141.1	175.8	45.5	0	0	0	0	113.7
438	S	31.6	Very low	25.7	Very low	121 Å²	121	156.5 Å²	156.5	85%	0.846	83%	0.833	S	S	*	*			trans	-160.6	155.2	149.3	39.9	0	0	0	0	111.9
439	E	24.8	Very low	25.8	Very low	187 Å²	187	155.7 Å²	155.7	87%	0.874	83%	0.83	S	S	*	*			trans	-82.5	167.8	-142.5	-73.6	161.9	143.7	0	0	118.2
440	P	25	Very low	25.9	Very low	113 Å²	113	157.4 Å²	157.4	73%	0.734	83%	0.83	S	S	*	*			trans	-98.6	132.4	-177	30.5	-16	0	0	0	113.5	V442	P440-V442 PolarHBondContact O-N 2.85Å
441	L	26.3	Very low	26	Very low	176 Å²	176	154.6 Å²	154.6	92%	0.921	82%	0.821	S	S	*	*			trans	-76.7	113.4	175.7	-77.3	158.5	0	0	0	111.7
442	V	21.7	Very low	26.1	Very low	129 Å²	129	154.7 Å²	154.7	78%	0.782	82%	0.821	S	S	*	*			trans	-91.9	110.9	173.3	176.1	0	0	0	0	109.1	P440	P440-V442 PolarHBondContact O-N 2.85Å
443	C	21.6	Very low	26.2	Very low	126 Å²	126	155.3 Å²	155.3	85%	0.851	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-98.4	128.3	172.7	-76.9	0	0	0	0	111.3
444	Q	23.6	Very low	26.7	Very low	187 Å²	187	152.6 Å²	152.6	87%	0.874	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81.3	152.9	-166.1	-66.2	173.6	-16.2	0	0	114.6
445	H	22.3	Very low	27.1	Very low	181 Å²	181	150 Å²	150	84%	0.838	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-52.5	144.5	175	-69.8	-68.1	0	0	0	116.2
446	K	24.5	Very low	27.2	Very low	209 Å²	209	147.8 Å²	147.8	91%	0.909	80%	0.798	S	S	*	*			trans	-138.5	115	144.1	-92.8	-175.9	-179.9	173.6	0	110.6
447	P	23.8	Very low	27.4	Very low	115 Å²	115	149.6 Å²	149.6	75%	0.747	80%	0.799	S	S	*	*			trans	-93.3	131.7	173.7	33.9	-26.7	0	0	0	109.7
448	N	27.4	Very low	27.8	Very low	157 Å²	157	153.2 Å²	153.2	84%	0.84	80%	0.802	S	S	*	*			trans	-154.9	134.7	164.2	-120.5	-22.6	0	0	0	114.9
449	R	26.3	Very low	28.1	Very low	223 Å²	223	149.9 Å²	149.9	84%	0.842	78%	0.781	S	S	*	*			trans	74	81.9	159.1	-68.8	-178.7	172	179	-3.1	119.4
450	K	25.4	Very low	28.5	Very low	207 Å²	207	145.9 Å²	145.9	90%	0.9	77%	0.765	S	S	*	*			trans	-79.9	101.4	146.1	-69.7	179.2	177.8	178.3	0	109.6
451	T	29.6	Very low	29.1	Very low	119 Å²	119	147 Å²	147	73%	0.73	76%	0.764	S	S	*	*			trans	-173.5	93.7	158.5	40	0	0	0	0	109.8
452	K	29.8	Very low	29.6	Very low	199 Å²	199	146.7 Å²	146.7	87%	0.865	76%	0.755	S	S	*	*			trans	174.8	60.9	152.9	-99.9	173	-177.3	-175.3	0	109.7
453	V	31.2	Very low	30.3	Very low	129 Å²	129	145.5 Å²	145.5	78%	0.782	75%	0.745	S	S	*	*			trans	-102.9	-3.5	179.4	-179.5	0	0	0	0	112.7
454	S	36.5	Very low	30.8	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-23.6	-178	62.9	0	0	0	0	115.1
455	G	35.9	Very low	31.4	Very low	55 Å²	55	148.5 Å²	148.5	57%	0.567	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-30.3	179.8	0	0	0	0	0	114.1	K457 K458	G455-K457 PolarHBondContact O-N 3.47Å; G455-K458 PolarHBondContact O-N 2.85Å
456	L	30.9	Very low	32	Very low	116 Å²	116	143 Å²	143	61%	0.607	72%	0.724	S	S	*	*	H	α-helix	trans	-72.5	-30.8	-170.9	-162.3	67.8	0	0	0	112.5	K458 A459 I460	L456-K458 PolarHBondContact O-N 2.75Å; L456-A459 PolarHBondContact O-N 3.24Å; L456-I460 HydrophobicContact CD2-CD1 4.42Å; L456-I460 HydrophobicContact CG-CD1 3.95Å; L456-I460 HydrophobicContact CG-CG1 4.47Å; L456-I460 WeakPolarHBondContact O-CD1 3.43Å; L456-I460 WeakPolarHBondContact O-CG1 3.42Å; L456-I460 PolarHBondContact O-N 3.24Å; L456-I460 VanDerWaalsContact O-N 3.11Å
457	K	31.9	Very low	32.4	Very low	175 Å²	175	139.7 Å²	139.7	76%	0.761	72%	0.715	S	S	*	*	H	α-helix	trans	-64.5	-27.7	178.9	-150.7	177.6	-173.8	-178.2	0	112.8	G455	G455-K457 PolarHBondContact O-N 3.47Å
458	K	34.5	Very low	32.8	Very low	182 Å²	182	142.5 Å²	142.5	79%	0.791	72%	0.718	S	S	*	*	H	α-helix	trans	-84.7	-27.2	178.6	-87.7	-174.4	174.3	-178.4	0	113.7	G455 L456	G455-K458 PolarHBondContact O-N 2.85Å; L456-K458 PolarHBondContact O-N 2.75Å
459	A	37.7	Very low	33.3	Very low	50 Å²	50	139 Å²	139	41%	0.413	71%	0.705	S	S	.	*	H	α-helix	trans	-75.4	-37.7	172.5	0	0	0	0	0	111.3	L456 L461 K462 D463	L456-A459 PolarHBondContact O-N 3.24Å; A459-L461 PolarHBondContact O-N 2.81Å; A459-L461 VanDerWaalsContact O-N 3.14Å; A459-K462 PolarHBondContact O-N 2.86Å; A459-D463 PolarHBondContact O-N 2.81Å
460	I	33.6	Very low	33.7	Very low	104 Å²	104	135.5 Å²	135.5	53%	0.533	70%	0.699	S	S	.	*	H	α-helix	trans	-59.4	-26.9	178.2	-69.9	165.7	0	0	0	112.8	L456	L456-I460 HydrophobicContact CD2-CD1 4.42Å; L456-I460 HydrophobicContact CG-CD1 3.95Å; L456-I460 HydrophobicContact CG-CG1 4.47Å; L456-I460 WeakPolarHBondContact O-CD1 3.43Å; L456-I460 WeakPolarHBondContact O-CG1 3.42Å; L456-I460 PolarHBondContact O-N 3.24Å; L456-I460 VanDerWaalsContact O-N 3.11Å
461	L	36.2	Very low	34.5	Very low	136 Å²	136	130.5 Å²	130.5	71%	0.712	69%	0.69	S	S	*	*	H	α-helix	trans	-78.6	-26.5	177.6	-154.7	74.7	0	0	0	112.8	A459	A459-L461 PolarHBondContact O-N 2.81Å; A459-L461 VanDerWaalsContact O-N 3.14Å
462	K	37	Very low	34.8	Very low	169 Å²	169	130 Å²	130	74%	0.735	68%	0.682	S	S	*	*	H	α-helix	trans	-85.6	-33.2	-177.9	-109.4	-175.3	174.5	-173	0	113.4	A459 R464	A459-K462 PolarHBondContact O-N 2.86Å; K462-R464 VanDerWaalsContact C-N 3.35Å
463	D	37.4	Very low	35.1	Very low	104 Å²	104	126.8 Å²	126.8	56%	0.556	67%	0.669	S	S	*	*	H	α-helix	trans	-84.7	-12.6	-178.1	-66.1	-13.1	0	0	0	113	A459 E465 A466	A459-D463 PolarHBondContact O-N 2.81Å; D463-E465 PolarHBondContact O-N 2.68Å; D463-A466 PolarHBondContact O-N 3.42Å
464	R	31.3	Very low	35.6	Very low	207 Å²	207	124.1 Å²	124.1	78%	0.781	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-21.4	174.9	-166.8	172.2	169.6	146.8	-1.5	112.7	K462	K462-R464 VanDerWaalsContact C-N 3.35Å
465	E	35.9	Very low	35.6	Very low	170 Å²	170	124.4 Å²	124.4	79%	0.794	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-18.8	176	-68.1	-178.9	169.4	0	0	113	D463	D463-E465 PolarHBondContact O-N 2.68Å
466	A	34.9	Very low	36	Very low	66 Å²	66	123.6 Å²	123.6	55%	0.545	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.7	-21.2	-177.1	0	0	0	0	0	114.2	D463	D463-A466 PolarHBondContact O-N 3.42Å
467	L	34	Very low	36.8	Very low	138 Å²	138	123.6 Å²	123.6	72%	0.723	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	7.3	-171.2	-82.3	160.3	0	0	0	115.5	S469	L467-S469 VanDerWaalsContact C-N 3.27Å; L467-S469 PolarHBondContact O-N 2.83Å
468	Q	32.2	Very low	37.4	Very low	175 Å²	175	115.8 Å²	115.8	82%	0.818	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	0.6	174.7	-82.5	-165.1	-21.2	0	0	114.8
469	S	36.4	Very low	37.8	Very low	82 Å²	82	109.5 Å²	109.5	57%	0.573	57%	0.573	S	S	*	*	S	Bend	trans	-112.1	-9.7	-169.8	56.6	0	0	0	0	117.9	L467	L467-S469 VanDerWaalsContact C-N 3.27Å; L467-S469 PolarHBondContact O-N 2.83Å
470	E	35.6	Very low	38.2	Very low	151 Å²	151	112.1 Å²	112.1	71%	0.706	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-98.6	-5.1	-171.3	-75.7	-170.1	164.7	0	0	116.8	I472	E470-I472 PolarHBondContact O-N 2.88Å; E470-I472 VanDerWaalsContact O-N 3.16Å
471	S	41.5	Very low	38.8	Very low	101 Å²	101	110.3 Å²	110.3	71%	0.706	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-75.7	2.2	173.9	76.1	0	0	0	0	114.2
472	I	36.5	Very low	39.3	Very low	109 Å²	109	106 Å²	106	56%	0.559	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-90.2	-24.3	-175	-61.1	174.7	0	0	0	111.5	E470 S474 K475 S476	E470-I472 PolarHBondContact O-N 2.88Å; E470-I472 VanDerWaalsContact O-N 3.16Å; I472-S474 PolarHBondContact O-N 2.88Å; I472-K475 PolarHBondContact O-N 3.42Å; I472-S476 WeakPolarHBondContact O-CB 3.31Å; I472-S476 PolarHBondContact O-N 3.49Å
473	Q	36.5	Very low	39.7	Very low	131 Å²	131	102.7 Å²	102.7	61%	0.612	54%	0.539	S	S	*	.	H	α-helix	trans	-73.2	-27.9	-165.3	-150.3	171.2	14.7	0	0	114.7	S476 K477	Q473-S476 PolarHBondContact O-OG 2.99Å; Q473-S476 VanDerWaalsContact O-OG 3.14Å; Q473-K477 WeakPolarHBondContact O-CG 3.37Å; Q473-K477 PolarHBondContact O-N 3.25Å
474	S	41.3	Very low	40.1	Very low	74 Å²	74	102.6 Å²	102.6	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-78	-38.7	175.6	50.3	0	0	0	0	112.4	I472	I472-S474 PolarHBondContact O-N 2.88Å
475	K	36.9	Very low	40.8	Very low	118 Å²	118	97.4 Å²	97.4	51%	0.513	53%	0.534	S	S	.	.	H	α-helix	trans	-66.2	-40.9	171.5	-80.8	-176.6	177.5	174.9	0	111.6	I472 A479 D549	I472-K475 PolarHBondContact O-N 3.42Å; K475-A479 WeakPolarHBondContact O-CB 3.44Å; K475-A479 PolarHBondContact O-N 3.02Å; K475-D549 WeakPolarHBondContact CE-OD1 3.05Å
476	S	43.8	Very low	41.6	Very low	38 Å²	38	90.5 Å²	90.5	27%	0.266	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-45.3	179.9	78.8	0	0	0	0	111.4	I472 Q473 I478 A479 D480	I472-S476 WeakPolarHBondContact O-CB 3.31Å; I472-S476 PolarHBondContact O-N 3.49Å; Q473-S476 PolarHBondContact O-OG 2.99Å; Q473-S476 VanDerWaalsContact O-OG 3.14Å; S476-I478 VanDerWaalsContact C-N 3.27Å; S476-I478 PolarHBondContact O-N 3.04Å; S476-I478 VanDerWaalsContact O-N 3.14Å; S476-A479 PolarHBondContact O-N 3.28Å; S476-A479 VanDerWaalsContact O-N 3.09Å; S476-D480 WeakPolarHBondContact O-CB 3.41Å; S476-D480 PolarHBondContact O-N 3.32Å
477	K	47	Very low	42.7	Very low	115 Å²	115	88.4 Å²	88.4	50%	0.5	49%	0.485	S	S	.	.	H	α-helix	trans	-56.6	-35.8	-177.7	-85.1	-179.1	176	-175	0	114.7	Q473 L481	Q473-K477 WeakPolarHBondContact O-CG 3.37Å; Q473-K477 PolarHBondContact O-N 3.25Å; K477-L481 WeakPolarHBondContact O-CD1 3.4Å
478	I	44.9	Very low	44.1	Very low	11 Å²	11	90.4 Å²	90.4	6%	0.056	49%	0.49	C	S	.	.	H	α-helix	trans	-92.2	-30.9	175.7	-57.5	-162.5	0	0	0	111.6	S476 D480 L481 I482 F552 V555	S476-I478 VanDerWaalsContact C-N 3.27Å; S476-I478 PolarHBondContact O-N 3.04Å; S476-I478 VanDerWaalsContact O-N 3.14Å; I478-D480 PolarHBondContact O-N 3.47Å; I478-L481 CarbonylContact O-C 3.4Å; I478-L481 WeakPolarHBondContact O-CA 3.3Å; I478-L481 WeakPolarHBondContact O-CB 3.05Å; I478-L481 PolarHBondContact O-N 3.2Å; I478-I482 HydrophobicContact CG2-CD1 3.54Å; I478-I482 HydrophobicContact CG2-CG1 3.89Å; I478-I482 WeakPolarHBondContact O-CG1 3.35Å; I478-I482 PolarHBondContact O-N 2.94Å; I478-F552 HydrophobicContact CB-CD1 4.12Å; I478-F552 HydrophobicContact CB-CE1 3.9Å; I478-F552 HydrophobicContact CD1-CB 4.3Å; I478-F552 HydrophobicContact CD1-CD1 3.28Å; I478-F552 HydrophobicContact CD1-CE1 3.86Å; I478-F552 HydrophobicContact CD1-CG 4.06Å; I478-F552 HydrophobicContact CG1-CD1 3.73Å; I478-F552 HydrophobicContact CG1-CE1 4.06Å; I478-F552 HydrophobicContact CG2-CE1 4.44Å; I478-V555 HydrophobicContact CD1-CB 4.04Å; I478-V555 HydrophobicContact CD1-CG1 3.95Å
479	A	43.8	Very low	45.5	Very low	50 Å²	50	84.3 Å²	84.3	41%	0.413	47%	0.47	S	S	.	.	H	α-helix	trans	-55.1	-45.1	169.9	0	0	0	0	0	110.6	K475 S476 L481 I482 D483	K475-A479 WeakPolarHBondContact O-CB 3.44Å; K475-A479 PolarHBondContact O-N 3.02Å; S476-A479 PolarHBondContact O-N 3.28Å; S476-A479 VanDerWaalsContact O-N 3.09Å; A479-L481 PolarHBondContact O-N 2.96Å; A479-L481 VanDerWaalsContact O-N 3.07Å; A479-I482 CarbonylContact O-C 3.54Å; A479-I482 WeakPolarHBondContact O-CA 3.3Å; A479-I482 PolarHBondContact O-N 2.83Å; A479-D483 PolarHBondContact O-N 3.1Å; A479-D483 VanDerWaalsContact O-N 3.09Å
480	D	45	Very low	46.8	Very low	105 Å²	105	82.2 Å²	82.2	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-60.2	-19.4	173.5	-57.5	-16.8	0	0	0	112.9	S476 I478	S476-D480 WeakPolarHBondContact O-CB 3.41Å; S476-D480 PolarHBondContact O-N 3.32Å; I478-D480 PolarHBondContact O-N 3.47Å
481	L	47.2	Very low	48.5	Very low	67 Å²	67	76.2 Å²	76.2	35%	0.351	43%	0.425	S	S	.	.	H	α-helix	trans	-93.5	-22.8	173.2	-74.6	160.4	0	0	0	113	K477 I478 A479 L559	K477-L481 WeakPolarHBondContact O-CD1 3.4Å; I478-L481 CarbonylContact O-C 3.4Å; I478-L481 WeakPolarHBondContact O-CA 3.3Å; I478-L481 WeakPolarHBondContact O-CB 3.05Å; I478-L481 PolarHBondContact O-N 3.2Å; A479-L481 PolarHBondContact O-N 2.96Å; A479-L481 VanDerWaalsContact O-N 3.07Å; L481-L559 HydrophobicContact CD1-CD1 3.82Å
482	I	47.2	Very low	50	Low	45 Å²	45	74 Å²	74	23%	0.231	41%	0.409	C	S	.	.	H	α-helix	trans	-95.1	2.8	-178.1	-67	176.5	0	0	0	111.5	I478 A479 N484 F571	I478-I482 HydrophobicContact CG2-CD1 3.54Å; I478-I482 HydrophobicContact CG2-CG1 3.89Å; I478-I482 WeakPolarHBondContact O-CG1 3.35Å; I478-I482 PolarHBondContact O-N 2.94Å; A479-I482 CarbonylContact O-C 3.54Å; A479-I482 WeakPolarHBondContact O-CA 3.3Å; A479-I482 PolarHBondContact O-N 2.83Å; I482-N484 CarbonylContact O-C 3.6Å; I482-N484 PolarHBondContact O-N 3.09Å; I482-F571 HydrophobicContact CD1-CD1 4.18Å; I482-F571 HydrophobicContact CD1-CE1 4.23Å; I482-F571 HydrophobicContact CG1-CD1 4.01Å; I482-F571 HydrophobicContact CG1-CE1 4.19Å; I482-F571 HydrophobicContact CG1-CG 4.22Å
483	D	44.6	Very low	51.4	Low	99 Å²	99	69.2 Å²	69.2	53%	0.529	39%	0.386	S	S	.	.			trans	-49.7	-14	-175.1	-89.7	-8.1	0	0	0	117.1	A479	A479-D483 PolarHBondContact O-N 3.1Å; A479-D483 VanDerWaalsContact O-N 3.09Å
484	N	46.5	Very low	53.1	Low	103 Å²	103	63.4 Å²	63.4	55%	0.551	36%	0.359	S	S	*	.	S	Bend	trans	-96.3	98.5	164.6	-60.1	-37.1	0	0	0	109.3	I482	I482-N484 CarbonylContact O-C 3.6Å; I482-N484 PolarHBondContact O-N 3.09Å
485	S	45.7	Very low	54.9	Low	97 Å²	97	63.2 Å²	63.2	68%	0.678	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-49.7	120.7	156	55.2	0	0	0	0	106.5	S487	S485-S487 PolarHBondContact O-N 2.55Å
486	P	52.5	Low	56.7	Low	25 Å²	25	64 Å²	64	16%	0.162	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-64.5	132.3	-173	34.2	-30.8	0	0	0	105.5	E488 L490 Q545 A572	P486-E488 PolarHBondContact O-N 3.17Å; P486-L490 HydrophobicContact CB-CD2 4.13Å; P486-Q545 VanDerWaalsContact CG-CD 3.49Å; P486-Q545 VanDerWaalsContact CG-OE1 3.28Å; P486-A572 HydrophobicContact CB-CB 3.92Å
487	S	56.7	Low	58.1	Low	22 Å²	22	62.9 Å²	62.9	15%	0.154	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-57.5	141.6	171.1	57.8	0	0	0	0	107.7	S485 A489 L490 D491	S485-S487 PolarHBondContact O-N 2.55Å; S487-A489 CarbonylContact O-C 3.32Å; S487-A489 PolarHBondContact O-N 2.87Å; S487-L490 WeakPolarHBondContact O-CB 3.36Å; S487-L490 PolarHBondContact O-N 3.4Å; S487-L490 PolarHBondContact OG-N 3.33Å; S487-D491 PolarHBondContact O-N 3Å
488	E	63.4	Low	59.5	Low	180 Å²	180	57.4 Å²	57.4	84%	0.841	32%	0.32	S	S	*	.	H	α-helix	trans	-52.1	-27.8	173.6	-66.1	-173.5	157.2	0	0	111.2	P486 D491 S492	P486-E488 PolarHBondContact O-N 3.17Å; E488-D491 PolarHBondContact O-N 3.43Å; E488-S492 WeakPolarHBondContact O-CB 3.48Å; E488-S492 PolarHBondContact O-N 3.12Å
489	A	61.9	Low	61.2	Low	47 Å²	47	63 Å²	63	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-51.5	170.3	0	0	0	0	0	113.3	S487 D491 S492 A493 A616	S487-A489 CarbonylContact O-C 3.32Å; S487-A489 PolarHBondContact O-N 2.87Å; A489-D491 VanDerWaalsContact C-N 3.28Å; A489-D491 PolarHBondContact O-N 3.33Å; A489-S492 PolarHBondContact O-N 2.91Å; A489-A493 VanDerWaalsContact O-CB 3.3Å; A489-A493 WeakPolarHBondContact O-CB 3.37Å; A489-A493 PolarHBondContact O-N 3.44Å; A489-A616 HydrophobicContact CB-CB 4.29Å
490	L	64.8	Low	62.6	Low	39 Å²	39	66 Å²	66	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-60.4	-41.3	176	173.3	64	0	0	0	111.5	P486 S487 A493 L494 V570 A572 S613	P486-L490 HydrophobicContact CB-CD2 4.13Å; S487-L490 WeakPolarHBondContact O-CB 3.36Å; S487-L490 PolarHBondContact O-N 3.4Å; S487-L490 PolarHBondContact OG-N 3.33Å; L490-A493 PolarHBondContact O-N 2.85Å; L490-L494 VanDerWaalsContact O-CB 3.27Å; L490-L494 WeakPolarHBondContact O-CB 3.46Å; L490-L494 PolarHBondContact O-N 3.37Å; L490-V570 HydrophobicContact CD1-CG1 4.48Å; L490-V570 HydrophobicContact CD2-CG1 4.1Å; L490-A572 HydrophobicContact CD2-CB 4.29Å; L490-A572 HydrophobicContact CG-CB 4.24Å; L490-S613 WeakPolarHBondContact CA-OG 3.22Å; L490-S613 VanDerWaalsContact CB-OG 3.28Å; L490-S613 WeakPolarHBondContact CB-OG 3.42Å; L490-S613 WeakPolarHBondContact CD1-OG 3.32Å
491	D	71.2	Confident	64	Low	24 Å²	24	61.1 Å²	61.1	13%	0.128	32%	0.318	C	S	.	.	H	α-helix	trans	-69.1	-38.6	-177.8	-148.6	35.7	0	0	0	111.7	S487 E488 A489 K495 A572 L573	S487-D491 PolarHBondContact O-N 3Å; E488-D491 PolarHBondContact O-N 3.43Å; A489-D491 VanDerWaalsContact C-N 3.28Å; A489-D491 PolarHBondContact O-N 3.33Å; D491-K495 WeakPolarHBondContact O-CB 3.42Å; D491-K495 WeakPolarHBondContact O-CD 3.5Å; D491-K495 VanDerWaalsContact O-CE 3.3Å; D491-K495 WeakPolarHBondContact O-CE 3.41Å; D491-K495 WeakPolarHBondContact O-CG 3.35Å; D491-K495 PolarHBondContact O-N 2.87Å; D491-K495 WeakPolarHBondContact OD2-CE 3.45Å; D491-K495 IonicContact OD2-NZ 2.64Å; D491-K495 PolarHBondContact OD2-NZ 2.87Å; D491-A572 WeakPolarHBondContact OD1-CB 3.48Å; D491-L573 WeakPolarHBondContact OD1-CD2 3.28Å; D491-L573 PolarHBondContact OD1-N 3.08Å
492	S	71.6	Confident	65.3	Low	54 Å²	54	60.2 Å²	60.2	38%	0.378	31%	0.311	S	S	.	.	H	α-helix	trans	-65.4	-46.5	172.6	-174.9	0	0	0	0	112.4	E488 A489 L494 K495 K496	E488-S492 WeakPolarHBondContact O-CB 3.48Å; E488-S492 PolarHBondContact O-N 3.12Å; A489-S492 PolarHBondContact O-N 2.91Å; S492-L494 PolarHBondContact O-N 3.03Å; S492-K495 PolarHBondContact O-N 3.17Å; S492-K496 WeakPolarHBondContact O-CG 3.45Å; S492-K496 PolarHBondContact O-N 3.05Å
493	A	67.8	Low	66.6	Low	9 Å²	9	61.4 Å²	61.4	7%	0.074	32%	0.316	C	S	.	.	H	α-helix	trans	-58.7	-47.5	176.6	0	0	0	0	0	111.2	A489 L490 K495 K496 L497 E609	A489-A493 VanDerWaalsContact O-CB 3.3Å; A489-A493 WeakPolarHBondContact O-CB 3.37Å; A489-A493 PolarHBondContact O-N 3.44Å; L490-A493 PolarHBondContact O-N 2.85Å; A493-K495 PolarHBondContact O-N 3.09Å; A493-K496 PolarHBondContact O-N 3.37Å; A493-L497 WeakPolarHBondContact O-CB 3.32Å; A493-L497 PolarHBondContact O-N 3.14Å; A493-E609 WeakPolarHBondContact CA-OE1 2.99Å; A493-E609 HydrophobicContact CB-CG 4.02Å; A493-E609 VanDerWaalsContact CB-OE1 3.29Å; A493-E609 WeakPolarHBondContact CB-OE1 3.47Å
494	L	71.3	Confident	67.9	Low	9 Å²	9	59 Å²	59	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-37	179.4	-166.1	62.8	0	0	0	112.5	L490 S492 L497 L498 V542 A572 L573	L490-L494 VanDerWaalsContact O-CB 3.27Å; L490-L494 WeakPolarHBondContact O-CB 3.46Å; L490-L494 PolarHBondContact O-N 3.37Å; S492-L494 PolarHBondContact O-N 3.03Å; L494-L497 HydrophobicContact CD1-CD2 4.27Å; L494-L497 PolarHBondContact O-N 2.82Å; L494-L498 HydrophobicContact CG-CD1 4.36Å; L494-L498 HydrophobicContact CG-CG 4.49Å; L494-L498 WeakPolarHBondContact O-CB 3.44Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.08Å; L494-V542 HydrophobicContact CD1-CG2 3.91Å; L494-V542 HydrophobicContact CD2-CG1 3.63Å; L494-V542 HydrophobicContact CD2-CG2 4.2Å; L494-V542 HydrophobicContact CG-CG1 4.42Å; L494-V542 HydrophobicContact CG-CG2 4.48Å; L494-A572 HydrophobicContact CD2-CB 3.7Å; L494-L573 HydrophobicContact CD2-CD1 3.74Å; L494-L573 HydrophobicContact CD2-CG 4Å; L494-L573 HydrophobicContact CG-CD1 3.93Å
495	K	78.7	Confident	69	Low	71 Å²	71	55.7 Å²	55.7	31%	0.309	28%	0.284	S	S	.	.	H	α-helix	trans	-60.2	-47.9	172.1	-76.5	166	-145.4	-178.7	0	111.5	D491 S492 A493 L497 K499 L573 T577 T581	D491-K495 WeakPolarHBondContact O-CB 3.42Å; D491-K495 WeakPolarHBondContact O-CD 3.5Å; D491-K495 VanDerWaalsContact O-CE 3.3Å; D491-K495 WeakPolarHBondContact O-CE 3.41Å; D491-K495 WeakPolarHBondContact O-CG 3.35Å; D491-K495 PolarHBondContact O-N 2.87Å; D491-K495 WeakPolarHBondContact OD2-CE 3.45Å; D491-K495 IonicContact OD2-NZ 2.64Å; D491-K495 PolarHBondContact OD2-NZ 2.87Å; S492-K495 PolarHBondContact O-N 3.17Å; A493-K495 PolarHBondContact O-N 3.09Å; K495-L497 VanDerWaalsContact C-N 3.33Å; K495-K499 VanDerWaalsContact O-CB 3.3Å; K495-K499 WeakPolarHBondContact O-CB 3.33Å; K495-K499 PolarHBondContact O-N 3.4Å; K495-L573 HydrophobicContact CD-CD2 4.08Å; K495-L573 HydrophobicContact CG-CD2 3.53Å; K495-T577 HydrophobicContact CD-CG2 3.9Å; K495-T577 VanDerWaalsContact CE-CG2 3.42Å; K495-T577 HydrophobicContact CG-CG2 4.19Å; K495-T581 HydrophobicContact CB-CG2 4.44Å; K495-T581 HydrophobicContact CG-CG2 4.19Å
496	K	74.6	Confident	70.3	Confident	135 Å²	135	53.9 Å²	53.9	59%	0.587	27%	0.267	S	S	*	.	H	α-helix	trans	-59.9	-46.1	177.4	-73.4	176.9	-176.1	175.1	0	110.7	S492 A493 K499 R500	S492-K496 WeakPolarHBondContact O-CG 3.45Å; S492-K496 PolarHBondContact O-N 3.05Å; A493-K496 PolarHBondContact O-N 3.37Å; K496-K499 PolarHBondContact O-N 2.78Å; K496-R500 PolarHBondContact O-N 2.86Å
497	L	72.7	Confident	71	Confident	13 Å²	13	56.7 Å²	56.7	7%	0.068	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-54.2	179.4	176.7	64	0	0	0	112.1	A493 L494 K495 K499 R500 L501 V606	A493-L497 WeakPolarHBondContact O-CB 3.32Å; A493-L497 PolarHBondContact O-N 3.14Å; L494-L497 HydrophobicContact CD1-CD2 4.27Å; L494-L497 PolarHBondContact O-N 2.82Å; K495-L497 VanDerWaalsContact C-N 3.33Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 3.08Å; L497-R500 WeakPolarHBondContact O-CB 3.21Å; L497-R500 PolarHBondContact O-N 3.34Å; L497-L501 HydrophobicContact CD1-CG 4.41Å; L497-L501 HydrophobicContact CG-CG 4.49Å; L497-L501 WeakPolarHBondContact O-CG 3.43Å; L497-L501 PolarHBondContact O-N 3.48Å; L497-V606 HydrophobicContact CD1-CB 4.12Å; L497-V606 HydrophobicContact CD1-CG2 3.36Å; L497-V606 HydrophobicContact CD2-CB 4.16Å; L497-V606 HydrophobicContact CD2-CG1 3.76Å; L497-V606 HydrophobicContact CD2-CG2 3.91Å; L497-V606 HydrophobicContact CG-CG2 4.14Å
498	L	77.9	Confident	71.2	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-37.1	-179.5	-71.7	178.4	0	0	0	112.2	L494 L501 K502 L573 L578 V582 V591 I593	L494-L498 HydrophobicContact CG-CD1 4.36Å; L494-L498 HydrophobicContact CG-CG 4.49Å; L494-L498 WeakPolarHBondContact O-CB 3.44Å; L494-L498 WeakPolarHBondContact O-CG 3.3Å; L494-L498 PolarHBondContact O-N 3.08Å; L498-L501 HydrophobicContact CD2-CD1 4.15Å; L498-L501 PolarHBondContact O-N 2.85Å; L498-K502 WeakPolarHBondContact O-CB 3.42Å; L498-K502 PolarHBondContact O-N 3.3Å; L498-L573 HydrophobicContact CD1-CD1 3.39Å; L498-L578 HydrophobicContact CD1-CD1 3.48Å; L498-L578 VanDerWaalsContact CD1-CD1 3.48Å; L498-V582 HydrophobicContact CB-CG1 4.32Å; L498-V582 HydrophobicContact CD2-CG1 4.44Å; L498-V591 HydrophobicContact CD2-CG1 4.09Å; L498-I593 HydrophobicContact CD2-CD1 4.18Å
499	K	80.4	Confident	71.1	Confident	129 Å²	129	57.5 Å²	57.5	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-61.1	-45.4	173.6	-173.9	-179.9	177.2	-175.9	0	110.8	K495 K496 L497 K502 E503	K495-K499 VanDerWaalsContact O-CB 3.3Å; K495-K499 WeakPolarHBondContact O-CB 3.33Å; K495-K499 PolarHBondContact O-N 3.4Å; K496-K499 PolarHBondContact O-N 2.78Å; L497-K499 VanDerWaalsContact C-N 3.27Å; L497-K499 PolarHBondContact O-N 3.08Å; K499-K502 PolarHBondContact O-N 2.83Å; K499-E503 WeakPolarHBondContact O-CG 3.49Å; K499-E503 PolarHBondContact O-N 3.01Å
500	R	73.3	Confident	71.1	Confident	113 Å²	113	63.4 Å²	63.4	43%	0.426	29%	0.289	S	S	.	.	H	α-helix	trans	-64.7	-42.8	177.9	-174.2	58.3	173.4	-179.5	-5.1	112.8	K496 L497 K502 E503 L504	K496-R500 PolarHBondContact O-N 2.86Å; L497-R500 WeakPolarHBondContact O-CB 3.21Å; L497-R500 PolarHBondContact O-N 3.34Å; R500-K502 VanDerWaalsContact C-N 3.3Å; R500-K502 PolarHBondContact O-N 2.96Å; R500-E503 IonicContact NH1-OE2 3.91Å; R500-E503 PolarHBondContact NH1-OE2 3.49Å; R500-E503 PolarHBondContact O-N 3.45Å; R500-L504 HydrophobicContact CG-CD1 4.35Å; R500-L504 PolarHBondContact O-N 3.37Å
501	L	73.2	Confident	70.7	Confident	2 Å²	2	69 Å²	69	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-44.7	174.8	-67.8	-177	0	0	0	111.2	L497 L498 L504 H505 V523 I593 L602 V606	L497-L501 HydrophobicContact CD1-CG 4.41Å; L497-L501 HydrophobicContact CG-CG 4.49Å; L497-L501 WeakPolarHBondContact O-CG 3.43Å; L497-L501 PolarHBondContact O-N 3.48Å; L498-L501 HydrophobicContact CD2-CD1 4.15Å; L498-L501 PolarHBondContact O-N 2.85Å; L501-L504 PolarHBondContact O-N 2.91Å; L501-H505 WeakPolarHBondContact O-CB 3.41Å; L501-H505 PolarHBondContact O-N 3.31Å; L501-V523 HydrophobicContact CB-CG2 3.98Å; L501-V523 HydrophobicContact CD1-CG2 4.32Å; L501-I593 HydrophobicContact CD1-CD1 3.68Å; L501-I593 HydrophobicContact CD1-CG1 3.76Å; L501-I593 HydrophobicContact CD1-CG2 3.97Å; L501-L602 HydrophobicContact CD2-CD1 3.73Å; L501-L602 HydrophobicContact CD2-CD2 3.13Å; L501-L602 HydrophobicContact CD2-CG 3.32Å; L501-V606 HydrophobicContact CD2-CG2 4.41Å
502	K	75.4	Confident	69.7	Low	49 Å²	49	71.3 Å²	71.3	21%	0.213	34%	0.34	C	S	.	.	H	α-helix	trans	-65.4	-44.6	178.4	178.2	173.4	176.1	170.7	0	112.4	L498 K499 R500 L504 H505 D506 T581 V582	L498-K502 WeakPolarHBondContact O-CB 3.42Å; L498-K502 PolarHBondContact O-N 3.3Å; K499-K502 PolarHBondContact O-N 2.83Å; R500-K502 VanDerWaalsContact C-N 3.3Å; R500-K502 PolarHBondContact O-N 2.96Å; K502-L504 VanDerWaalsContact C-N 3.29Å; K502-L504 PolarHBondContact O-N 3.05Å; K502-H505 WeakPolarHBondContact O-CB 3.37Å; K502-H505 PolarHBondContact O-N 2.95Å; K502-D506 WeakPolarHBondContact O-CB 3.33Å; K502-D506 VanDerWaalsContact O-CG 3.24Å; K502-D506 PolarHBondContact O-N 3.32Å; K502-T581 WeakPolarHBondContact CD-O 3.27Å; K502-T581 PolarHBondContact NZ-O 2.98Å; K502-V582 PolarHBondContact NZ-O 2.94Å
503	E	75.1	Confident	68.3	Low	69 Å²	69	76.3 Å²	76.3	32%	0.322	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-41	176	-74	173	-169.4	0	0	112.2	K499 R500 R507	K499-E503 WeakPolarHBondContact O-CG 3.49Å; K499-E503 PolarHBondContact O-N 3.01Å; R500-E503 IonicContact NH1-OE2 3.91Å; R500-E503 PolarHBondContact NH1-OE2 3.49Å; R500-E503 PolarHBondContact O-N 3.45Å; E503-R507 WeakPolarHBondContact O-CB 3.4Å; E503-R507 WeakPolarHBondContact O-CG 3.11Å; E503-R507 PolarHBondContact O-N 3.25Å; E503-R507 IonicContact OE2-NH1 2.78Å
504	L	70.1	Confident	67.2	Low	50 Å²	50	78.3 Å²	78.3	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-42.3	175.1	-78	165.9	0	0	0	111.8	R500 L501 K502 D506 R507 A508 L522 L602	R500-L504 HydrophobicContact CG-CD1 4.35Å; R500-L504 PolarHBondContact O-N 3.37Å; L501-L504 PolarHBondContact O-N 2.91Å; K502-L504 VanDerWaalsContact C-N 3.29Å; K502-L504 PolarHBondContact O-N 3.05Å; L504-D506 VanDerWaalsContact C-N 3.34Å; L504-D506 PolarHBondContact O-N 2.91Å; L504-R507 PolarHBondContact O-N 2.83Å; L504-A508 WeakPolarHBondContact O-CB 3.19Å; L504-A508 PolarHBondContact O-N 3.02Å; L504-L522 HydrophobicContact CB-CD1 4.1Å; L504-L602 HydrophobicContact CD1-CD1 3.24Å; L504-L602 HydrophobicContact CD1-CD2 3.73Å; L504-L602 HydrophobicContact CD1-CG 4.02Å
505	H	70.5	Confident	65.8	Low	32 Å²	32	87.4 Å²	87.4	15%	0.148	41%	0.412	C	S	.	.	H	α-helix	trans	-58.3	-49.1	175.6	-176.4	53.4	0	0	0	110.8	L501 K502 R507 A508 Y509 R521 L522	L501-H505 WeakPolarHBondContact O-CB 3.41Å; L501-H505 PolarHBondContact O-N 3.31Å; K502-H505 WeakPolarHBondContact O-CB 3.37Å; K502-H505 PolarHBondContact O-N 2.95Å; H505-R507 VanDerWaalsContact C-N 3.33Å; H505-R507 PolarHBondContact O-N 3.28Å; H505-A508 PolarHBondContact O-N 2.9Å; H505-Y509 VanDerWaalsContact O-CB 3.27Å; H505-Y509 WeakPolarHBondContact O-CB 3.33Å; H505-Y509 PolarHBondContact O-N 3.4Å; H505-R521 VanDerWaalsContact CE1-CA 3.41Å; H505-R521 WeakPolarHBondContact CE1-CA 3.41Å; H505-L522 HydrophobicContact CB-CB 4.2Å; H505-L522 HydrophobicContact CB-CD1 3.91Å; H505-L522 HydrophobicContact CB-CG 4.36Å; H505-L522 PolarHBondContact ND1-N 3.38Å
506	D	72.6	Confident	63.9	Low	59 Å²	59	87.2 Å²	87.2	32%	0.316	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-36.6	180	-68.5	-15.9	0	0	0	111.4	K502 L504 R510	K502-D506 WeakPolarHBondContact O-CB 3.33Å; K502-D506 VanDerWaalsContact O-CG 3.24Å; K502-D506 PolarHBondContact O-N 3.32Å; L504-D506 VanDerWaalsContact C-N 3.34Å; L504-D506 PolarHBondContact O-N 2.91Å; D506-R510 WeakPolarHBondContact O-CB 3.33Å; D506-R510 VanDerWaalsContact O-CG 3.31Å; D506-R510 WeakPolarHBondContact O-CG 3.42Å; D506-R510 PolarHBondContact O-N 3.01Å
507	R	67.8	Low	62.2	Low	84 Å²	84	84.2 Å²	84.2	32%	0.317	42%	0.421	S	S	.	.	H	α-helix	trans	-65.9	-48	173.7	-81	-167	-65.4	-98	2.8	112.1	E503 L504 H505 Y509 R510 K511	E503-R507 WeakPolarHBondContact O-CB 3.4Å; E503-R507 WeakPolarHBondContact O-CG 3.11Å; E503-R507 PolarHBondContact O-N 3.25Å; E503-R507 IonicContact OE2-NH1 2.78Å; L504-R507 PolarHBondContact O-N 2.83Å; H505-R507 VanDerWaalsContact C-N 3.33Å; H505-R507 PolarHBondContact O-N 3.28Å; R507-Y509 VanDerWaalsContact C-N 3.29Å; R507-Y509 PolarHBondContact O-N 3.27Å; R507-R510 PolarHBondContact O-N 2.89Å; R507-K511 PolarHBondContact O-N 3.43Å
508	A	61.6	Low	60.8	Low	42 Å²	42	92.3 Å²	92.3	35%	0.347	46%	0.456	S	S	.	.	H	α-helix	trans	-61.4	-40.9	177.8	0	0	0	0	0	110.9	L504 H505	L504-A508 WeakPolarHBondContact O-CB 3.19Å; L504-A508 PolarHBondContact O-N 3.02Å; H505-A508 PolarHBondContact O-N 2.9Å
509	Y	60.7	Low	59.2	Low	177 Å²	177	95 Å²	95	69%	0.694	48%	0.483	S	S	*	.	H	α-helix	trans	-63.7	-44	175.5	-167.6	-91.7	0	0	0	112.2	H505 R507	H505-Y509 VanDerWaalsContact O-CB 3.27Å; H505-Y509 WeakPolarHBondContact O-CB 3.33Å; H505-Y509 PolarHBondContact O-N 3.4Å; R507-Y509 VanDerWaalsContact C-N 3.29Å; R507-Y509 PolarHBondContact O-N 3.27Å
510	R	62.3	Low	57.8	Low	172 Å²	172	94 Å²	94	65%	0.649	48%	0.479	S	S	*	.	H	α-helix	trans	-68.4	-33.4	178.9	-79.9	-170.1	-65	-93.4	-0.7	114	D506 R507 G512	D506-R510 WeakPolarHBondContact O-CB 3.33Å; D506-R510 VanDerWaalsContact O-CG 3.31Å; D506-R510 WeakPolarHBondContact O-CG 3.42Å; D506-R510 PolarHBondContact O-N 3.01Å; R507-R510 PolarHBondContact O-N 2.89Å; R510-G512 PolarHBondContact O-N 3.03Å
511	K	55.6	Low	57.2	Low	156 Å²	156	94.8 Å²	94.8	68%	0.678	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.3	-177.9	-80.8	-171.3	174.4	-171.6	0	113.8	R507 Q513	R507-K511 PolarHBondContact O-N 3.43Å; K511-Q513 WeakPolarHBondContact O-CG 3.33Å; K511-Q513 PolarHBondContact O-N 3.37Å
512	G	50.7	Low	56.7	Low	72 Å²	72	95.6 Å²	95.6	74%	0.742	49%	0.486	S	S	*	.	S	Bend	trans	62.3	-3.7	-179.7	0	0	0	0	0	114.5	R510	R510-G512 PolarHBondContact O-N 3.03Å
513	Q	42.3	Very low	56.3	Low	160 Å²	160	94.4 Å²	94.4	75%	0.748	48%	0.483	S	S	*	.			trans	-116.8	64.4	-168.2	-75.9	-175.1	-33.6	0	0	110.2	K511	K511-Q513 WeakPolarHBondContact O-CG 3.33Å; K511-Q513 PolarHBondContact O-N 3.37Å
514	T	44.1	Very low	55.8	Low	50 Å²	50	91.2 Å²	91.2	31%	0.307	47%	0.468	S	S	.	.			trans	-97.2	105.3	137	55.8	0	0	0	0	106.2	L516	T514-L516 CarbonylContact O-C 3.45Å; T514-L516 PolarHBondContact O-N 3.24Å; T514-L516 PolarHBondContact OG1-O 3.44Å
515	Q	42.2	Very low	55.6	Low	201 Å²	201	90.5 Å²	90.5	94%	0.939	47%	0.473	S	S	*	.	S	Bend	trans	-53.5	-9	155.9	-77.5	-172.5	-11.3	0	0	111.5	G517	Q515-G517 VanDerWaalsContact C-N 3.34Å; Q515-G517 PolarHBondContact O-N 3.4Å; Q515-G517 VanDerWaalsContact O-N 3.08Å
516	L	39.8	Very low	55.1	Low	66 Å²	66	91.9 Å²	91.9	35%	0.346	48%	0.481	S	S	.	.	S	Bend	trans	-77.1	81.6	162.9	-69.8	91.4	0	0	0	111.1	T514 K518 K520 Y596	T514-L516 CarbonylContact O-C 3.45Å; T514-L516 PolarHBondContact O-N 3.24Å; T514-L516 PolarHBondContact OG1-O 3.44Å; L516-K518 PolarHBondContact O-N 3.5Å; L516-K520 HydrophobicContact CD2-CD 4.49Å; L516-Y596 WeakPolarHBondContact CD1-OH 3.36Å; L516-Y596 HydrophobicContact CD2-CE2 4.17Å
517	G	38.8	Very low	54.6	Low	73 Å²	73	97.8 Å²	97.8	75%	0.753	51%	0.506	S	S	*	.	S	Bend	trans	-60.2	33.8	-172.7	0	0	0	0	0	120.1	Q515	Q515-G517 VanDerWaalsContact C-N 3.34Å; Q515-G517 PolarHBondContact O-N 3.4Å; Q515-G517 VanDerWaalsContact O-N 3.08Å
518	K	42.1	Very low	54.6	Low	183 Å²	183	97 Å²	97	80%	0.796	51%	0.506	S	S	*	.	S	Bend	trans	-152.8	99.5	160.9	-68.3	-170.8	-179.5	173.7	0	106.9	L516 K520	L516-K518 PolarHBondContact O-N 3.5Å; K518-K520 WeakPolarHBondContact O-CG 3.36Å; K518-K520 PolarHBondContact O-N 3.13Å
519	G	44	Very low	55	Low	56 Å²	56	95.1 Å²	95.1	58%	0.577	49%	0.49	S	S	*	.			trans	-37.5	91.7	-170.2	0	0	0	0	0	115.1	R521	G519-R521 PolarHBondContact O-N 3.39Å
520	K	52.6	Low	55.6	Low	109 Å²	109	92.7 Å²	92.7	47%	0.474	48%	0.483	S	S	.	.			trans	-77.9	120.1	178.9	-66	-174	-176.8	169.6	0	107.7	L516 K518 Y596	L516-K520 HydrophobicContact CD2-CD 4.49Å; K518-K520 WeakPolarHBondContact O-CG 3.36Å; K518-K520 PolarHBondContact O-N 3.13Å; K520-Y596 HydrophobicContact CB-CE2 4.2Å
521	R	59.9	Low	56.1	Low	129 Å²	129	91 Å²	91	49%	0.487	48%	0.481	S	S	.	.			trans	-77.5	133.5	178.2	-61.7	-177.7	172.2	-177.4	-0.2	110	H505 G519 V523 L594	H505-R521 VanDerWaalsContact CE1-CA 3.41Å; H505-R521 WeakPolarHBondContact CE1-CA 3.41Å; G519-R521 PolarHBondContact O-N 3.39Å; R521-V523 WeakPolarHBondContact CB-O 3.27Å; R521-V523 PolarHBondContact O-N 3.3Å; R521-L594 WeakPolarHBondContact O-CD1 3.12Å; R521-L594 WeakPolarHBondContact O-CG 3.42Å
522	L	62.8	Low	57	Low	19 Å²	19	86 Å²	86	10%	0.099	46%	0.458	C	S	.	.	S	Bend	trans	-65.7	-28.2	173.1	-74.3	169.1	0	0	0	111.3	L504 H505 L594 Y596 A599 L602	L504-L522 HydrophobicContact CB-CD1 4.1Å; H505-L522 HydrophobicContact CB-CB 4.2Å; H505-L522 HydrophobicContact CB-CD1 3.91Å; H505-L522 HydrophobicContact CB-CG 4.36Å; H505-L522 PolarHBondContact ND1-N 3.38Å; L522-L594 PolarHBondContact O-N 3.4Å; L522-L594 VanDerWaalsContact O-N 3.12Å; L522-Y596 HydrophobicContact CD2-CG 4.24Å; L522-A599 HydrophobicContact CD2-CB 4.08Å; L522-L602 HydrophobicContact CD1-CD2 4.19Å; L522-L602 HydrophobicContact CD2-CD2 4.4Å
523	V	66.9	Low	58.2	Low	23 Å²	23	82.6 Å²	82.6	14%	0.139	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.7	-174.8	179.8	0	0	0	0	107.6	L501 R521 V582 V591	L501-V523 HydrophobicContact CB-CG2 3.98Å; L501-V523 HydrophobicContact CD1-CG2 4.32Å; R521-V523 WeakPolarHBondContact CB-O 3.27Å; R521-V523 PolarHBondContact O-N 3.3Å; V523-V582 HydrophobicContact CG1-CB 4.03Å; V523-V582 HydrophobicContact CG1-CG1 3.61Å; V523-V591 HydrophobicContact CG1-CG1 3.41Å; V523-V591 VanDerWaalsContact CG1-CG1 3.41Å
524	C	64.8	Low	59.7	Low	3 Å²	3	78.7 Å²	78.7	2%	0.02	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	147.6	179	58.8	0	0	0	0	111.8	E528 Y532 A592	C524-E528 HydrophobicContact CB-CB 3.89Å; C524-E528 WeakPolarHBondContact CB-OE2 3.4Å; C524-Y532 HydrophobicContact CB-CD2 4.05Å; C524-Y532 HydrophobicContact CB-CE2 4.03Å; C524-A592 PolarHBondContact N-O 2.67Å; C524-A592 PolarHBondContact O-N 3.07Å; C524-A592 WeakPolarHBondContact SG-CB 3.08Å; C524-A592 PolarHBondContact SG-O 2.88Å; C524-A592 VanDerWaalsContact SG-O 3.37Å
525	G	65.8	Low	61.2	Low	34 Å²	34	80.5 Å²	80.5	35%	0.351	41%	0.414	S	S	.	.			trans	-88.8	174.1	178.4	0	0	0	0	0	112.6	H527 E528 T529	G525-H527 PolarHBondContact O-N 3.23Å; G525-H527 VanDerWaalsContact O-N 3.14Å; G525-E528 PolarHBondContact O-N 3.34Å; G525-T529 PolarHBondContact O-N 3.5Å; G525-T529 VanDerWaalsContact O-N 3.07Å; G525-T529 PolarHBondContact O-OG1 3.42Å
526	L	61	Low	62.7	Low	61 Å²	61	75.5 Å²	75.5	32%	0.319	39%	0.394	S	S	.	.	H	α-helix	trans	-38.2	-56	-171.3	173	64.9	0	0	0	115.9	E528 T529 I554 F590	L526-E528 PolarHBondContact O-N 3.09Å; L526-T529 PolarHBondContact O-N 2.72Å; L526-I554 HydrophobicContact CD1-CG2 4.2Å; L526-F590 HydrophobicContact CB-CD2 4.41Å; L526-F590 HydrophobicContact CD1-CD2 3.28Å; L526-F590 HydrophobicContact CD1-CE2 3.56Å; L526-F590 HydrophobicContact CD1-CG 4.28Å; L526-F590 HydrophobicContact CG-CD2 4.32Å
527	H	61	Low	64.3	Low	183 Å²	183	76.8 Å²	76.8	85%	0.847	40%	0.397	S	S	*	.	H	α-helix	trans	-63.9	-23.1	-175.5	-82.8	-15.5	0	0	0	113.7	G525	G525-H527 PolarHBondContact O-N 3.23Å; G525-H527 VanDerWaalsContact O-N 3.14Å
528	E	67.2	Low	66	Low	69 Å²	69	73.7 Å²	73.7	32%	0.322	36%	0.363	S	S	.	.	H	α-helix	trans	-96.3	-29.3	-179.8	-72.5	-176.9	177.7	0	0	112.3	C524 G525 L526 K530 K531 Y532	C524-E528 HydrophobicContact CB-CB 3.89Å; C524-E528 WeakPolarHBondContact CB-OE2 3.4Å; G525-E528 PolarHBondContact O-N 3.34Å; L526-E528 PolarHBondContact O-N 3.09Å; E528-K530 PolarHBondContact O-N 2.86Å; E528-K531 WeakPolarHBondContact O-CB 3.48Å; E528-K531 PolarHBondContact O-N 2.89Å; E528-K531 VanDerWaalsContact O-N 3.14Å; E528-Y532 HydrophobicContact CB-CD2 3.88Å; E528-Y532 HydrophobicContact CB-CE2 3.71Å; E528-Y532 HydrophobicContact CG-CE2 4.28Å; E528-Y532 WeakPolarHBondContact O-CD2 3.15Å; E528-Y532 PolarHBondContact O-N 3.42Å
529	T	71.1	Confident	67.5	Low	1 Å²	1	69.5 Å²	69.5	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-52.3	-51	-177.9	-59.3	0	0	0	0	111.9	G525 L526 K531 Y532 V533 V541 L558 A592	G525-T529 PolarHBondContact O-N 3.5Å; G525-T529 VanDerWaalsContact O-N 3.07Å; G525-T529 PolarHBondContact O-OG1 3.42Å; L526-T529 PolarHBondContact O-N 2.72Å; T529-K531 PolarHBondContact O-N 3.26Å; T529-Y532 PolarHBondContact O-N 2.88Å; T529-V533 HydrophobicContact CG2-CG2 4.32Å; T529-V533 WeakPolarHBondContact O-CB 3.3Å; T529-V533 VanDerWaalsContact O-CG2 3.31Å; T529-V533 WeakPolarHBondContact O-CG2 3.32Å; T529-V533 PolarHBondContact O-N 3.06Å; T529-V541 HydrophobicContact CG2-CG1 4.44Å; T529-L558 HydrophobicContact CG2-CD1 4Å; T529-L558 HydrophobicContact CG2-CD2 4.19Å; T529-A592 HydrophobicContact CG2-CB 3.51Å
530	K	72	Confident	68.8	Low	126 Å²	126	67.2 Å²	67.2	55%	0.548	32%	0.319	S	S	.	.	H	α-helix	trans	-58.8	-48.3	179	-175.8	174.8	179.7	177.4	0	111.7	E528 Y532 V533 D534	E528-K530 PolarHBondContact O-N 2.86Å; K530-Y532 VanDerWaalsContact C-N 3.29Å; K530-Y532 PolarHBondContact O-N 3.35Å; K530-V533 PolarHBondContact O-N 3.21Å; K530-D534 WeakPolarHBondContact O-CB 3.14Å; K530-D534 PolarHBondContact O-N 2.98Å
531	K	73.6	Confident	70.1	Confident	138 Å²	138	62 Å²	62	60%	0.6	30%	0.297	S	S	*	.	H	α-helix	trans	-57.5	-41.3	178.2	-175.7	-179.8	-179.2	176.3	0	112.2	E528 T529 L535	E528-K531 WeakPolarHBondContact O-CB 3.48Å; E528-K531 PolarHBondContact O-N 2.89Å; E528-K531 VanDerWaalsContact O-N 3.14Å; T529-K531 PolarHBondContact O-N 3.26Å; K531-L535 HydrophobicContact CG-CD1 4.17Å; K531-L535 WeakPolarHBondContact O-CB 3.4Å; K531-L535 WeakPolarHBondContact O-CD1 3.46Å; K531-L535 WeakPolarHBondContact O-CG 3.49Å; K531-L535 PolarHBondContact O-N 2.89Å; K531-L535 VanDerWaalsContact O-N 3.1Å
532	Y	74.8	Confident	70.9	Confident	50 Å²	50	55.9 Å²	55.9	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-77.2	-33.2	-179.8	-70.6	-63.5	0	0	0	113.1	C524 E528 T529 K530 L535 N536 K537 V538 L594	C524-Y532 HydrophobicContact CB-CD2 4.05Å; C524-Y532 HydrophobicContact CB-CE2 4.03Å; E528-Y532 HydrophobicContact CB-CD2 3.88Å; E528-Y532 HydrophobicContact CB-CE2 3.71Å; E528-Y532 HydrophobicContact CG-CE2 4.28Å; E528-Y532 WeakPolarHBondContact O-CD2 3.15Å; E528-Y532 PolarHBondContact O-N 3.42Å; T529-Y532 PolarHBondContact O-N 2.88Å; K530-Y532 VanDerWaalsContact C-N 3.29Å; K530-Y532 PolarHBondContact O-N 3.35Å; Y532-L535 PolarHBondContact O-N 2.77Å; Y532-N536 PolarHBondContact O-N 2.85Å; Y532-K537 HydrophobicContact CD1-CB 4.2Å; Y532-K537 HydrophobicContact CD1-CD 4.49Å; Y532-K537 PolarHBondContact O-N 3.36Å; Y532-V538 VanDerWaalsContact C-CG2 3.4Å; Y532-V538 VanDerWaalsContact CB-CG2 3.45Å; Y532-L594 HydrophobicContact CD1-CD1 4.02Å; Y532-L594 HydrophobicContact CD1-CD2 4.09Å; Y532-L594 HydrophobicContact CD2-CD1 4Å; Y532-L594 HydrophobicContact CD2-CD2 3.79Å; Y532-L594 HydrophobicContact CE1-CD1 3.93Å; Y532-L594 HydrophobicContact CE2-CD1 3.88Å; Y532-L594 HydrophobicContact CE2-CD2 4.49Å; Y532-L594 HydrophobicContact CG-CD1 4.07Å; Y532-L594 HydrophobicContact CG-CD2 3.56Å
533	V	75.8	Confident	71.9	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-47	170.3	167.9	0	0	0	0	109.5	T529 K530 L535 N536 V538 V541 L558 S561 K565 I567	T529-V533 HydrophobicContact CG2-CG2 4.32Å; T529-V533 WeakPolarHBondContact O-CB 3.3Å; T529-V533 VanDerWaalsContact O-CG2 3.31Å; T529-V533 WeakPolarHBondContact O-CG2 3.32Å; T529-V533 PolarHBondContact O-N 3.06Å; K530-V533 PolarHBondContact O-N 3.21Å; V533-L535 PolarHBondContact O-N 2.81Å; V533-N536 PolarHBondContact O-N 3.25Å; V533-V538 HydrophobicContact CG2-CB 4.09Å; V533-V538 HydrophobicContact CG2-CG1 4.26Å; V533-V538 HydrophobicContact CG2-CG2 3.87Å; V533-V541 HydrophobicContact CG2-CG2 3.92Å; V533-L558 HydrophobicContact CB-CD1 4.39Å; V533-L558 HydrophobicContact CG1-CD1 4.49Å; V533-L558 HydrophobicContact CG2-CD1 3.96Å; V533-S561 WeakPolarHBondContact CG1-OG 3.46Å; V533-K565 HydrophobicContact CG1-CD 4.33Å; V533-K565 WeakPolarHBondContact O-CD 3.37Å; V533-K565 WeakPolarHBondContact O-CE 3.09Å; V533-K565 PolarHBondContact O-NZ 3.33Å; V533-I567 HydrophobicContact CB-CD1 4.49Å; V533-I567 HydrophobicContact CG1-CD1 3.92Å
534	D	74.6	Confident	72.6	Confident	79 Å²	79	53.9 Å²	53.9	42%	0.422	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-30.8	177.3	-67.6	-21.2	0	0	0	112.5	K530 N536 K565	K530-D534 WeakPolarHBondContact O-CB 3.14Å; K530-D534 PolarHBondContact O-N 2.98Å; D534-N536 VanDerWaalsContact C-N 3.34Å; D534-N536 PolarHBondContact O-N 3.34Å; D534-K565 PolarHBondContact O-NZ 3.16Å
535	L	74.8	Confident	73.2	Confident	87 Å²	87	56.3 Å²	56.3	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	2.4	175.3	-68.8	170.9	0	0	0	114.6	K531 Y532 V533 K537	K531-L535 HydrophobicContact CG-CD1 4.17Å; K531-L535 WeakPolarHBondContact O-CB 3.4Å; K531-L535 WeakPolarHBondContact O-CD1 3.46Å; K531-L535 WeakPolarHBondContact O-CG 3.49Å; K531-L535 PolarHBondContact O-N 2.89Å; K531-L535 VanDerWaalsContact O-N 3.1Å; Y532-L535 PolarHBondContact O-N 2.77Å; V533-L535 PolarHBondContact O-N 2.81Å; L535-K537 HydrophobicContact CB-CB 4.45Å; L535-K537 HydrophobicContact CB-CD 4.09Å; L535-K537 HydrophobicContact CB-CG 4.05Å; L535-K537 HydrophobicContact CD1-CD 4.49Å; L535-K537 PolarHBondContact O-N 3.14Å
536	N	74.1	Confident	73.8	Confident	97 Å²	97	57.9 Å²	57.9	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.6	-172.7	-93.3	21.2	0	0	0	113.1	Y532 V533 D534 K565	Y532-N536 PolarHBondContact O-N 2.85Å; V533-N536 PolarHBondContact O-N 3.25Å; D534-N536 VanDerWaalsContact C-N 3.34Å; D534-N536 PolarHBondContact O-N 3.34Å; N536-K565 WeakPolarHBondContact OD1-CD 3.45Å; N536-K565 WeakPolarHBondContact OD1-CG 3.49Å; N536-K565 PolarHBondContact OD1-NZ 3.04Å
537	K	73.4	Confident	74.6	Confident	93 Å²	93	56 Å²	56	40%	0.404	26%	0.264	S	S	.	.			trans	-101.3	13.8	179.3	-68.9	-178.3	-177.4	175.2	0	112.7	Y532 L535 L594 T595	Y532-K537 HydrophobicContact CD1-CB 4.2Å; Y532-K537 HydrophobicContact CD1-CD 4.49Å; Y532-K537 PolarHBondContact O-N 3.36Å; L535-K537 HydrophobicContact CB-CB 4.45Å; L535-K537 HydrophobicContact CB-CD 4.09Å; L535-K537 HydrophobicContact CB-CG 4.05Å; L535-K537 HydrophobicContact CD1-CD 4.49Å; L535-K537 PolarHBondContact O-N 3.14Å; K537-L594 CarbonylContact O-C 3.19Å; K537-L594 WeakPolarHBondContact O-CA 3.47Å; K537-L594 WeakPolarHBondContact O-CD2 3.25Å; K537-T595 WeakPolarHBondContact CA-OG1 3.27Å; K537-T595 PolarHBondContact O-N 2.89Å; K537-T595 PolarHBondContact O-OG1 2.99Å; K537-T595 VanDerWaalsContact O-OG1 3.09Å
538	V	74.4	Confident	75.4	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.042	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.5	-178.4	-179.9	0	0	0	0	108.6	Y532 V533 L540 V541 I567 A592 L594	Y532-V538 VanDerWaalsContact C-CG2 3.4Å; Y532-V538 VanDerWaalsContact CB-CG2 3.45Å; V533-V538 HydrophobicContact CG2-CB 4.09Å; V533-V538 HydrophobicContact CG2-CG1 4.26Å; V533-V538 HydrophobicContact CG2-CG2 3.87Å; V538-L540 WeakPolarHBondContact CG1-O 3.19Å; V538-V541 HydrophobicContact CG1-CG2 3.65Å; V538-I567 HydrophobicContact CG1-CG2 4.24Å; V538-A592 HydrophobicContact CG1-CB 3.8Å; V538-A592 HydrophobicContact CG2-CB 3.93Å; V538-L594 HydrophobicContact CG2-CD2 3.7Å
539	K	73.3	Confident	75.9	Confident	95 Å²	95	53.9 Å²	53.9	41%	0.413	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-34.6	174.8	-89	-120.2	-168.7	172.3	0	112.6	P568 I593 T595 Y603	K539-P568 WeakPolarHBondContact O-CD 3.46Å; K539-P568 WeakPolarHBondContact O-CG 3.46Å; K539-I593 PolarHBondContact N-O 2.84Å; K539-T595 HydrophobicContact CB-CG2 4.37Å; K539-T595 HydrophobicContact CG-CG2 3.45Å; K539-T595 VanDerWaalsContact CG-CG2 3.45Å; K539-Y603 HydrophobicContact CB-CD1 4.39Å; K539-Y603 HydrophobicContact CB-CE1 3.46Å; K539-Y603 VanDerWaalsContact CB-CE1 3.46Å; K539-Y603 HydrophobicContact CD-CD1 3.71Å; K539-Y603 HydrophobicContact CD-CE1 3.47Å; K539-Y603 VanDerWaalsContact CD-CE1 3.47Å; K539-Y603 HydrophobicContact CD-CG 4.46Å; K539-Y603 HydrophobicContact CG-CD1 4.23Å; K539-Y603 HydrophobicContact CG-CE1 3.46Å; K539-Y603 VanDerWaalsContact CG-CE1 3.46Å
540	L	71.7	Confident	76.2	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	135	-178.5	-177.7	67.2	0	0	0	109.8	V538 V542 P568 V570 I593 V606 I610	V538-L540 WeakPolarHBondContact CG1-O 3.19Å; L540-V542 HydrophobicContact CD2-CG2 4.33Å; L540-V542 HydrophobicContact CG-CG2 4.43Å; L540-P568 HydrophobicContact CD1-CB 4.06Å; L540-P568 HydrophobicContact CD1-CG 4.1Å; L540-V570 HydrophobicContact CD1-CG2 4.2Å; L540-I593 HydrophobicContact CB-CB 4.32Å; L540-I593 HydrophobicContact CB-CD1 4.18Å; L540-I593 HydrophobicContact CD2-CD1 3.84Å; L540-I593 HydrophobicContact CG-CD1 4.29Å; L540-I593 PolarHBondContact O-N 3.45Å; L540-V606 HydrophobicContact CD2-CG1 4.43Å; L540-I610 HydrophobicContact CD2-CD1 3.73Å
541	V	78.7	Confident	76.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122	171.4	-179.9	0	0	0	0	109.4	T529 V533 V538 I543 L558 I567 P568 Y569 V570	T529-V541 HydrophobicContact CG2-CG1 4.44Å; V533-V541 HydrophobicContact CG2-CG2 3.92Å; V538-V541 HydrophobicContact CG1-CG2 3.65Å; V541-I543 HydrophobicContact CG1-CD1 4.32Å; V541-I543 HydrophobicContact CG1-CG1 3.9Å; V541-L558 HydrophobicContact CG1-CD2 3.93Å; V541-I567 HydrophobicContact CG2-CG2 4.24Å; V541-P568 PolarHBondContact N-O 3.2Å; V541-Y569 CarbonylContact O-C 3.6Å; V541-Y569 WeakPolarHBondContact O-CA 3.34Å; V541-V570 PolarHBondContact O-N 2.9Å
542	V	78.2	Confident	76.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	125.6	174	176.3	0	0	0	0	108.8	L494 L540 L573 L578 F590 V591 I593	L494-V542 HydrophobicContact CD1-CG2 3.91Å; L494-V542 HydrophobicContact CD2-CG1 3.63Å; L494-V542 HydrophobicContact CD2-CG2 4.2Å; L494-V542 HydrophobicContact CG-CG1 4.42Å; L494-V542 HydrophobicContact CG-CG2 4.48Å; L540-V542 HydrophobicContact CD2-CG2 4.33Å; L540-V542 HydrophobicContact CG-CG2 4.43Å; V542-L573 HydrophobicContact CG1-CD1 4.08Å; V542-L578 HydrophobicContact CG1-CD1 3.91Å; V542-F590 WeakPolarHBondContact O-CA 3.47Å; V542-V591 HydrophobicContact CB-CB 4.37Å; V542-V591 PolarHBondContact N-O 2.85Å; V542-V591 PolarHBondContact O-N 2.81Å; V542-I593 HydrophobicContact CG2-CD1 4.2Å
543	I	81.8	Confident	76.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.5	-177	-49	-176.2	0	0	0	109.2	V541 L547 L559 V570 F571 A572 F590	V541-I543 HydrophobicContact CG1-CD1 4.32Å; V541-I543 HydrophobicContact CG1-CG1 3.9Å; I543-L547 HydrophobicContact CG2-CD1 4.03Å; I543-L547 HydrophobicContact CG2-CD2 4.31Å; I543-L559 HydrophobicContact CD1-CD2 3.62Å; I543-L559 HydrophobicContact CD1-CG 4.37Å; I543-V570 PolarHBondContact N-O 3.32Å; I543-F571 HydrophobicContact CB-CD1 3.76Å; I543-F571 HydrophobicContact CB-CE1 3.68Å; I543-F571 HydrophobicContact CB-CG 4.3Å; I543-F571 HydrophobicContact CB-CZ 4.14Å; I543-F571 HydrophobicContact CD1-CE1 4.13Å; I543-F571 HydrophobicContact CD1-CE2 4.08Å; I543-F571 HydrophobicContact CD1-CZ 3.71Å; I543-F571 HydrophobicContact CG1-CE1 4.48Å; I543-F571 HydrophobicContact CG1-CZ 4.47Å; I543-F571 HydrophobicContact CG2-CD1 3.72Å; I543-F571 HydrophobicContact CG2-CE1 3.29Å; I543-F571 HydrophobicContact CG2-CZ 3.98Å; I543-A572 PolarHBondContact O-N 3.18Å; I543-F590 HydrophobicContact CB-CD1 4.25Å; I543-F590 HydrophobicContact CD1-CD1 4.41Å; I543-F590 HydrophobicContact CG1-CD1 4.01Å; I543-F590 HydrophobicContact CG2-CD1 3.65Å; I543-F590 HydrophobicContact CG2-CE1 3.55Å
544	A	83.4	Confident	76.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	147.3	173.5	0	0	0	0	0	111.2	L547 L573 R575 L578 A589	A544-L547 VanDerWaalsContact O-CG 3.3Å; A544-L547 WeakPolarHBondContact O-CG 3.36Å; A544-L573 CarbonylContact C-O 3.49Å; A544-L573 VanDerWaalsContact C-O 3.32Å; A544-L573 WeakPolarHBondContact CA-O 3.33Å; A544-L573 WeakPolarHBondContact CB-O 3.48Å; A544-R575 HydrophobicContact CB-CB 4.3Å; A544-R575 HydrophobicContact CB-CG 3.5Å; A544-R575 VanDerWaalsContact CB-CG 3.5Å; A544-L578 HydrophobicContact CB-CD2 4.35Å; A544-A589 WeakPolarHBondContact CB-O 3.31Å; A544-A589 PolarHBondContact N-O 3.26Å
545	Q	77.1	Confident	77.1	Confident	54 Å²	54	51.3 Å²	51.3	25%	0.252	26%	0.264	S	S	.	.	S	Bend	trans	-82.5	-32.4	-177.5	-57.4	-160.4	-37.6	0	0	113.2	P486 L547 F571 L573	P486-Q545 VanDerWaalsContact CG-CD 3.49Å; P486-Q545 VanDerWaalsContact CG-OE1 3.28Å; Q545-L547 PolarHBondContact O-N 3.41Å; Q545-F571 HydrophobicContact CG-CB 4.25Å; Q545-F571 VanDerWaalsContact NE2-C 3.34Å; Q545-F571 PolarHBondContact NE2-O 3.47Å; Q545-F571 VanDerWaalsContact NE2-O 3.08Å; Q545-L573 PolarHBondContact N-O 3.43Å
546	D	77.9	Confident	77.3	Confident	67 Å²	67	51.5 Å²	51.5	36%	0.358	26%	0.263	S	S	.	.	S	Bend	trans	-88.6	66.4	178.8	59.6	-30.7	0	0	0	111.2	S574 R575	D546-S574 WeakPolarHBondContact OD1-CA 3.46Å; D546-R575 VanDerWaalsContact CG-N 3.26Å; D546-R575 WeakPolarHBondContact O-CD 3.23Å; D546-R575 WeakPolarHBondContact O-CG 3.26Å; D546-R575 WeakPolarHBondContact OD1-CG 3.49Å; D546-R575 PolarHBondContact OD1-N 3.11Å; D546-R575 PolarHBondContact OD2-N 3.03Å; D546-R575 VanDerWaalsContact OD2-N 3.11Å
547	L	77.4	Confident	77.6	Confident	23 Å²	23	49.1 Å²	49.1	12%	0.12	26%	0.257	C	S	.	.			trans	-79.6	142.5	177.8	-64.2	164.9	0	0	0	111.6	I543 A544 Q545 L551 V555 F571 A589 F590	I543-L547 HydrophobicContact CG2-CD1 4.03Å; I543-L547 HydrophobicContact CG2-CD2 4.31Å; A544-L547 VanDerWaalsContact O-CG 3.3Å; A544-L547 WeakPolarHBondContact O-CG 3.36Å; Q545-L547 PolarHBondContact O-N 3.41Å; L547-L551 HydrophobicContact CD2-CD1 4.33Å; L547-V555 HydrophobicContact CD1-CB 4.47Å; L547-V555 HydrophobicContact CD1-CG1 4.13Å; L547-V555 HydrophobicContact CD1-CG2 3.58Å; L547-V555 HydrophobicContact CD2-CG2 4.24Å; L547-V555 HydrophobicContact CG-CG2 4.44Å; L547-F571 HydrophobicContact CD1-CE1 4.09Å; L547-A589 HydrophobicContact CD2-CB 3.88Å; L547-F590 HydrophobicContact CD2-CE1 4.14Å; L547-F590 HydrophobicContact CD2-CE2 4.47Å; L547-F590 HydrophobicContact CD2-CZ 3.79Å
548	E	78.8	Confident	77.9	Confident	95 Å²	95	45.2 Å²	45.2	44%	0.444	24%	0.24	S	C	.	.			trans	-74.5	148.6	169.5	-80.4	167.6	-152.5	0	0	110.6	S550 L551 F552 R575	E548-S550 PolarHBondContact O-N 2.73Å; E548-S550 VanDerWaalsContact O-N 3.09Å; E548-S550 PolarHBondContact OE2-OG 3.29Å; E548-L551 HydrophobicContact CB-CD1 4.31Å; E548-L551 HydrophobicContact CB-CG 4.35Å; E548-L551 WeakPolarHBondContact O-CB 3.17Å; E548-L551 PolarHBondContact O-N 3.16Å; E548-F552 VanDerWaalsContact O-CD2 3.22Å; E548-F552 WeakPolarHBondContact O-CD2 3.12Å; E548-F552 WeakPolarHBondContact O-CE2 3.31Å; E548-R575 VanDerWaalsContact CD-NH1 3.26Å; E548-R575 VanDerWaalsContact CG-NH1 3.34Å; E548-R575 IonicContact OE1-CZ 2.66Å; E548-R575 IonicContact OE1-NH1 2.88Å; E548-R575 PolarHBondContact OE1-NH1 3.46Å; E548-R575 IonicContact OE1-NH2 3.21Å; E548-R575 PolarHBondContact OE1-NH2 2.82Å
549	D	76.1	Confident	78.1	Confident	112 Å²	112	45.1 Å²	45.1	60%	0.599	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-53.1	-31.5	177.3	-69.3	-21.3	0	0	0	112.9	K475 L551 F552	K475-D549 WeakPolarHBondContact CE-OD1 3.05Å; D549-L551 VanDerWaalsContact C-N 3.26Å; D549-L551 PolarHBondContact O-N 3.24Å; D549-F552 VanDerWaalsContact CA-CE2 3.43Å; D549-F552 HydrophobicContact CB-CE2 4.42Å; D549-F552 VanDerWaalsContact O-CD2 3.32Å; D549-F552 WeakPolarHBondContact O-CD2 3.14Å; D549-F552 WeakPolarHBondContact OD1-CE2 3.43Å
550	S	78	Confident	78.5	Confident	81 Å²	81	43.5 Å²	43.5	57%	0.566	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-68.7	-18.4	176.5	63.8	0	0	0	0	114.7	E548	E548-S550 PolarHBondContact O-N 2.73Å; E548-S550 VanDerWaalsContact O-N 3.09Å; E548-S550 PolarHBondContact OE2-OG 3.29Å
551	L	78.4	Confident	78.9	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.099	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-94.6	-11	-175.3	-65.2	175.5	0	0	0	112.9	L547 E548 D549 D553 I554 V555 A589 F590	L547-L551 HydrophobicContact CD2-CD1 4.33Å; E548-L551 HydrophobicContact CB-CD1 4.31Å; E548-L551 HydrophobicContact CB-CG 4.35Å; E548-L551 WeakPolarHBondContact O-CB 3.17Å; E548-L551 PolarHBondContact O-N 3.16Å; D549-L551 VanDerWaalsContact C-N 3.26Å; D549-L551 PolarHBondContact O-N 3.24Å; L551-D553 PolarHBondContact O-N 3.46Å; L551-I554 HydrophobicContact CD2-CD1 4.21Å; L551-I554 WeakPolarHBondContact O-CB 3.08Å; L551-I554 PolarHBondContact O-N 3.01Å; L551-I554 VanDerWaalsContact O-N 3.08Å; L551-V555 HydrophobicContact CB-CG2 4.41Å; L551-V555 WeakPolarHBondContact O-CG2 3.07Å; L551-V555 PolarHBondContact O-N 3.2Å; L551-A589 HydrophobicContact CD1-CB 3.68Å; L551-F590 HydrophobicContact CD1-CE2 4.47Å
552	F	76.2	Confident	78.9	Confident	33 Å²	33	43.9 Å²	43.9	15%	0.145	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-44.9	-172	-79.4	-105.6	0	0	0	112.8	I478 E548 D549 I554 V555 E556	I478-F552 HydrophobicContact CB-CD1 4.12Å; I478-F552 HydrophobicContact CB-CE1 3.9Å; I478-F552 HydrophobicContact CD1-CB 4.3Å; I478-F552 HydrophobicContact CD1-CD1 3.28Å; I478-F552 HydrophobicContact CD1-CE1 3.86Å; I478-F552 HydrophobicContact CD1-CG 4.06Å; I478-F552 HydrophobicContact CG1-CD1 3.73Å; I478-F552 HydrophobicContact CG1-CE1 4.06Å; I478-F552 HydrophobicContact CG2-CE1 4.44Å; E548-F552 VanDerWaalsContact O-CD2 3.22Å; E548-F552 WeakPolarHBondContact O-CD2 3.12Å; E548-F552 WeakPolarHBondContact O-CE2 3.31Å; D549-F552 VanDerWaalsContact CA-CE2 3.43Å; D549-F552 HydrophobicContact CB-CE2 4.42Å; D549-F552 VanDerWaalsContact O-CD2 3.32Å; D549-F552 WeakPolarHBondContact O-CD2 3.14Å; D549-F552 WeakPolarHBondContact OD1-CE2 3.43Å; F552-I554 VanDerWaalsContact C-N 3.27Å; F552-I554 PolarHBondContact O-N 3.22Å; F552-V555 WeakPolarHBondContact O-CB 3.42Å; F552-V555 PolarHBondContact O-N 3.08Å; F552-V555 VanDerWaalsContact O-N 3.14Å; F552-E556 WeakPolarHBondContact O-CB 3.45Å; F552-E556 PolarHBondContact O-N 3Å
553	D	76.9	Confident	79	Confident	127 Å²	127	49.7 Å²	49.7	68%	0.679	27%	0.266	S	S	*	.	H	α-helix	trans	-60.2	-38.8	177.6	-62.4	-28.9	0	0	0	112	L551 A557	L551-D553 PolarHBondContact O-N 3.46Å; D553-A557 WeakPolarHBondContact O-CB 3.32Å; D553-A557 PolarHBondContact O-N 3.48Å
554	I	77.2	Confident	79.1	Confident	79 Å²	79	57 Å²	57	41%	0.405	30%	0.3	S	S	.	.	H	α-helix	trans	-69.8	-40.5	178.8	-58.9	175.5	0	0	0	110	L526 L551 F552 L558	L526-I554 HydrophobicContact CD1-CG2 4.2Å; L551-I554 HydrophobicContact CD2-CD1 4.21Å; L551-I554 WeakPolarHBondContact O-CB 3.08Å; L551-I554 PolarHBondContact O-N 3.01Å; L551-I554 VanDerWaalsContact O-N 3.08Å; F552-I554 VanDerWaalsContact C-N 3.27Å; F552-I554 PolarHBondContact O-N 3.22Å; I554-L558 VanDerWaalsContact O-CB 3.25Å; I554-L558 WeakPolarHBondContact O-CB 3.47Å; I554-L558 PolarHBondContact O-N 3.01Å
555	V	80.4	Confident	78.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-48.8	176.5	-175.8	0	0	0	0	109.4	I478 L547 L551 F552 A557 L558 L559 F571 F590	I478-V555 HydrophobicContact CD1-CB 4.04Å; I478-V555 HydrophobicContact CD1-CG1 3.95Å; L547-V555 HydrophobicContact CD1-CB 4.47Å; L547-V555 HydrophobicContact CD1-CG1 4.13Å; L547-V555 HydrophobicContact CD1-CG2 3.58Å; L547-V555 HydrophobicContact CD2-CG2 4.24Å; L547-V555 HydrophobicContact CG-CG2 4.44Å; L551-V555 HydrophobicContact CB-CG2 4.41Å; L551-V555 WeakPolarHBondContact O-CG2 3.07Å; L551-V555 PolarHBondContact O-N 3.2Å; F552-V555 WeakPolarHBondContact O-CB 3.42Å; F552-V555 PolarHBondContact O-N 3.08Å; F552-V555 VanDerWaalsContact O-N 3.14Å; V555-A557 PolarHBondContact O-N 3.07Å; V555-L558 PolarHBondContact O-N 2.84Å; V555-L559 HydrophobicContact CG1-CD1 3.87Å; V555-L559 HydrophobicContact CG1-CG 4.07Å; V555-L559 WeakPolarHBondContact O-CB 3.41Å; V555-L559 VanDerWaalsContact O-CG 3.22Å; V555-L559 WeakPolarHBondContact O-CG 3.28Å; V555-L559 PolarHBondContact O-N 3.38Å; V555-F571 HydrophobicContact CG1-CZ 4.27Å; V555-F590 HydrophobicContact CB-CE1 4.29Å; V555-F590 HydrophobicContact CB-CZ 4.44Å; V555-F590 HydrophobicContact CG1-CE1 4.36Å; V555-F590 HydrophobicContact CG2-CE1 3.54Å; V555-F590 HydrophobicContact CG2-CZ 3.36Å
556	E	80	Confident	79	Confident	91 Å²	91	61.6 Å²	61.6	43%	0.425	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-43.9	-179.6	-173.8	173.2	-160.9	0	0	111.4	F552 L559 T560	F552-E556 WeakPolarHBondContact O-CB 3.45Å; F552-E556 PolarHBondContact O-N 3Å; E556-L559 PolarHBondContact O-N 3.47Å; E556-T560 VanDerWaalsContact O-CB 3.3Å; E556-T560 WeakPolarHBondContact O-CB 3.04Å; E556-T560 PolarHBondContact O-N 3.2Å; E556-T560 PolarHBondContact O-OG1 3.4Å
557	A	80	Confident	78.9	Confident	48 Å²	48	59.1 Å²	59.1	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-62.6	-43.2	174.6	0	0	0	0	0	112	D553 V555 T560 S561	D553-A557 WeakPolarHBondContact O-CB 3.32Å; D553-A557 PolarHBondContact O-N 3.48Å; V555-A557 PolarHBondContact O-N 3.07Å; A557-T560 PolarHBondContact O-N 3.5Å; A557-S561 WeakPolarHBondContact O-CB 3.5Å; A557-S561 PolarHBondContact O-N 2.85Å
558	L	79.2	Confident	78.6	Confident	11 Å²	11	61.6 Å²	61.6	6%	0.058	34%	0.339	C	S	.	.	H	α-helix	trans	-64.3	-46.2	177.7	-175.3	69.2	0	0	0	111.3	T529 V533 V541 I554 V555 T560 S561 C562 F590	T529-L558 HydrophobicContact CG2-CD1 4Å; T529-L558 HydrophobicContact CG2-CD2 4.19Å; V533-L558 HydrophobicContact CB-CD1 4.39Å; V533-L558 HydrophobicContact CG1-CD1 4.49Å; V533-L558 HydrophobicContact CG2-CD1 3.96Å; V541-L558 HydrophobicContact CG1-CD2 3.93Å; I554-L558 VanDerWaalsContact O-CB 3.25Å; I554-L558 WeakPolarHBondContact O-CB 3.47Å; I554-L558 PolarHBondContact O-N 3.01Å; V555-L558 PolarHBondContact O-N 2.84Å; L558-T560 VanDerWaalsContact C-N 3.35Å; L558-S561 PolarHBondContact O-N 2.82Å; L558-C562 WeakPolarHBondContact O-CB 3.18Å; L558-C562 PolarHBondContact O-N 3.31Å; L558-C562 PolarHBondContact O-SG 3.49Å; L558-F590 HydrophobicContact CD2-CD1 3.79Å; L558-F590 HydrophobicContact CD2-CE1 4.3Å; L558-F590 HydrophobicContact CD2-CG 4.36Å
559	L	79.4	Confident	78.6	Confident	4 Å²	4	60.1 Å²	60.1	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-63.9	-40.9	178.2	-71.5	-177.7	0	0	0	111.5	L481 I543 V555 E556 S561 C562 K563 Y569 F571	L481-L559 HydrophobicContact CD1-CD1 3.82Å; I543-L559 HydrophobicContact CD1-CD2 3.62Å; I543-L559 HydrophobicContact CD1-CG 4.37Å; V555-L559 HydrophobicContact CG1-CD1 3.87Å; V555-L559 HydrophobicContact CG1-CG 4.07Å; V555-L559 WeakPolarHBondContact O-CB 3.41Å; V555-L559 VanDerWaalsContact O-CG 3.22Å; V555-L559 WeakPolarHBondContact O-CG 3.28Å; V555-L559 PolarHBondContact O-N 3.38Å; E556-L559 PolarHBondContact O-N 3.47Å; L559-S561 VanDerWaalsContact C-N 3.33Å; L559-C562 PolarHBondContact O-N 2.81Å; L559-K563 WeakPolarHBondContact O-CB 3.24Å; L559-K563 VanDerWaalsContact O-CG 3.27Å; L559-K563 WeakPolarHBondContact O-CG 3.43Å; L559-K563 PolarHBondContact O-N 2.93Å; L559-Y569 HydrophobicContact CD2-CD1 3.87Å; L559-Y569 HydrophobicContact CD2-CD2 3.42Å; L559-Y569 VanDerWaalsContact CD2-CD2 3.42Å; L559-Y569 HydrophobicContact CD2-CE1 3.91Å; L559-Y569 HydrophobicContact CD2-CE2 3.49Å; L559-Y569 VanDerWaalsContact CD2-CE2 3.49Å; L559-Y569 HydrophobicContact CD2-CG 3.62Å; L559-F571 HydrophobicContact CD1-CE2 4.39Å; L559-F571 HydrophobicContact CD1-CZ 4.11Å; L559-F571 HydrophobicContact CD2-CE2 4.27Å; L559-F571 HydrophobicContact CD2-CZ 4.38Å
560	T	80.9	Confident	78.4	Confident	61 Å²	61	56.4 Å²	56.4	37%	0.374	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-46.2	174.1	-59.9	0	0	0	0	110.6	E556 A557 L558 K563 Q564	E556-T560 VanDerWaalsContact O-CB 3.3Å; E556-T560 WeakPolarHBondContact O-CB 3.04Å; E556-T560 PolarHBondContact O-N 3.2Å; E556-T560 PolarHBondContact O-OG1 3.4Å; A557-T560 PolarHBondContact O-N 3.5Å; L558-T560 VanDerWaalsContact C-N 3.35Å; T560-K563 PolarHBondContact O-N 3.37Å; T560-Q564 WeakPolarHBondContact O-CB 3.28Å; T560-Q564 VanDerWaalsContact O-CG 3.32Å; T560-Q564 WeakPolarHBondContact O-CG 3.35Å; T560-Q564 PolarHBondContact O-N 2.92Å
561	S	80.6	Confident	78.3	Confident	15 Å²	15	53.5 Å²	53.5	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-64.5	-40.4	176.3	-171.9	0	0	0	0	112.5	V533 A557 L558 L559 Q564 K565	V533-S561 WeakPolarHBondContact CG1-OG 3.46Å; A557-S561 WeakPolarHBondContact O-CB 3.5Å; A557-S561 PolarHBondContact O-N 2.85Å; L558-S561 PolarHBondContact O-N 2.82Å; L559-S561 VanDerWaalsContact C-N 3.33Å; S561-Q564 PolarHBondContact O-N 3.07Å; S561-K565 WeakPolarHBondContact O-CB 3.3Å; S561-K565 WeakPolarHBondContact O-CD 3.29Å; S561-K565 PolarHBondContact O-N 2.99Å; S561-K565 VanDerWaalsContact O-N 3.08Å
562	C	79.1	Confident	78	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	29%	0.285	C	S	.	.	H	α-helix	trans	-62	-44.4	175	-72	0	0	0	0	111	L558 L559 K565 A566 I567 Y569	L558-C562 WeakPolarHBondContact O-CB 3.18Å; L558-C562 PolarHBondContact O-N 3.31Å; L558-C562 PolarHBondContact O-SG 3.49Å; L559-C562 PolarHBondContact O-N 2.81Å; C562-K565 CarbonylContact O-C 3.39Å; C562-K565 PolarHBondContact O-N 2.84Å; C562-A566 CarbonylContact O-C 3.34Å; C562-A566 WeakPolarHBondContact O-CA 3.13Å; C562-A566 PolarHBondContact O-N 3.39Å; C562-I567 HydrophobicContact CB-CB 4.29Å; C562-I567 PolarHBondContact O-N 2.87Å; C562-Y569 HydrophobicContact CB-CD1 3.96Å
563	K	80.5	Confident	78.1	Confident	123 Å²	123	51.1 Å²	51.1	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-47.2	176.5	-74.3	172.9	-178.5	176.4	0	112	L559 T560 K565 A566 Y569	L559-K563 WeakPolarHBondContact O-CB 3.24Å; L559-K563 VanDerWaalsContact O-CG 3.27Å; L559-K563 WeakPolarHBondContact O-CG 3.43Å; L559-K563 PolarHBondContact O-N 2.93Å; T560-K563 PolarHBondContact O-N 3.37Å; K563-K565 VanDerWaalsContact C-N 3.27Å; K563-K565 PolarHBondContact O-N 3.45Å; K563-A566 PolarHBondContact O-N 2.89Å; K563-Y569 WeakPolarHBondContact CE-OH 3.46Å; K563-Y569 HydrophobicContact CG-CE1 4.35Å
564	Q	82.8	Confident	78.5	Confident	154 Å²	154	46.9 Å²	46.9	72%	0.72	26%	0.258	S	S	*	.	H	α-helix	trans	-60.5	-36.3	178.6	-75.6	174.6	-6.2	0	0	112.6	T560 S561	T560-Q564 WeakPolarHBondContact O-CB 3.28Å; T560-Q564 VanDerWaalsContact O-CG 3.32Å; T560-Q564 WeakPolarHBondContact O-CG 3.35Å; T560-Q564 PolarHBondContact O-N 2.92Å; S561-Q564 PolarHBondContact O-N 3.07Å
565	K	79.4	Confident	78.9	Confident	64 Å²	64	45.3 Å²	45.3	28%	0.278	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.5	-178.4	-71.7	157.6	164.3	-93.5	0	114.1	V533 D534 N536 S561 C562 K563 I567	V533-K565 HydrophobicContact CG1-CD 4.33Å; V533-K565 WeakPolarHBondContact O-CD 3.37Å; V533-K565 WeakPolarHBondContact O-CE 3.09Å; V533-K565 PolarHBondContact O-NZ 3.33Å; D534-K565 PolarHBondContact O-NZ 3.16Å; N536-K565 WeakPolarHBondContact OD1-CD 3.45Å; N536-K565 WeakPolarHBondContact OD1-CG 3.49Å; N536-K565 PolarHBondContact OD1-NZ 3.04Å; S561-K565 WeakPolarHBondContact O-CB 3.3Å; S561-K565 WeakPolarHBondContact O-CD 3.29Å; S561-K565 PolarHBondContact O-N 2.99Å; S561-K565 VanDerWaalsContact O-N 3.08Å; C562-K565 CarbonylContact O-C 3.39Å; C562-K565 PolarHBondContact O-N 2.84Å; K563-K565 VanDerWaalsContact C-N 3.27Å; K563-K565 PolarHBondContact O-N 3.45Å; K565-I567 HydrophobicContact CB-CD1 3.79Å; K565-I567 HydrophobicContact CB-CG1 3.97Å; K565-I567 HydrophobicContact CD-CD1 4.24Å; K565-I567 PolarHBondContact O-N 2.83Å
566	A	80.7	Confident	79.1	Confident	86 Å²	86	48.1 Å²	48.1	71%	0.711	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	35.5	-174.7	0	0	0	0	0	114.2	C562 K563	C562-A566 CarbonylContact O-C 3.34Å; C562-A566 WeakPolarHBondContact O-CA 3.13Å; C562-A566 PolarHBondContact O-N 3.39Å; K563-A566 PolarHBondContact O-N 2.89Å
567	I	74.9	Confident	79.2	Confident	14 Å²	14	45.2 Å²	45.2	7%	0.072	25%	0.253	C	S	.	.			trans	-86.9	124.6	176.3	-62.3	165	0	0	0	108.7	V533 V538 V541 C562 K565	V533-I567 HydrophobicContact CB-CD1 4.49Å; V533-I567 HydrophobicContact CG1-CD1 3.92Å; V538-I567 HydrophobicContact CG1-CG2 4.24Å; V541-I567 HydrophobicContact CG2-CG2 4.24Å; C562-I567 HydrophobicContact CB-CB 4.29Å; C562-I567 PolarHBondContact O-N 2.87Å; K565-I567 HydrophobicContact CB-CD1 3.79Å; K565-I567 HydrophobicContact CB-CG1 3.97Å; K565-I567 HydrophobicContact CD-CD1 4.24Å; K565-I567 PolarHBondContact O-N 2.83Å
568	P	71.8	Confident	79.3	Confident	75 Å²	75	43 Å²	43	49%	0.487	23%	0.234	S	C	.	.			trans	-68.1	145.4	177.1	28	-34	0	0	0	111.4	K539 L540 V541	K539-P568 WeakPolarHBondContact O-CD 3.46Å; K539-P568 WeakPolarHBondContact O-CG 3.46Å; L540-P568 HydrophobicContact CD1-CB 4.06Å; L540-P568 HydrophobicContact CD1-CG 4.1Å; V541-P568 PolarHBondContact N-O 3.2Å
569	Y	77.4	Confident	79.4	Confident	65 Å²	65	42.4 Å²	42.4	26%	0.255	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.1	175.2	63	-93.2	0	0	0	111	V541 L559 C562 K563 F571	V541-Y569 CarbonylContact O-C 3.6Å; V541-Y569 WeakPolarHBondContact O-CA 3.34Å; L559-Y569 HydrophobicContact CD2-CD1 3.87Å; L559-Y569 HydrophobicContact CD2-CD2 3.42Å; L559-Y569 VanDerWaalsContact CD2-CD2 3.42Å; L559-Y569 HydrophobicContact CD2-CE1 3.91Å; L559-Y569 HydrophobicContact CD2-CE2 3.49Å; L559-Y569 VanDerWaalsContact CD2-CE2 3.49Å; L559-Y569 HydrophobicContact CD2-CG 3.62Å; C562-Y569 HydrophobicContact CB-CD1 3.96Å; K563-Y569 WeakPolarHBondContact CE-OH 3.46Å; K563-Y569 HydrophobicContact CG-CE1 4.35Å; Y569-F571 HydrophobicContact CD2-CD2 4.27Å; Y569-F571 AromaticContact CD2-CE2 3.89Å; Y569-F571 HydrophobicContact CD2-CE2 3.89Å; Y569-F571 HydrophobicContact CE2-CD2 4.41Å; Y569-F571 AromaticContact CE2-CE2 3.89Å; Y569-F571 HydrophobicContact CE2-CE2 3.89Å
570	V	71.8	Confident	79.6	Confident	34 Å²	34	50.5 Å²	50.5	21%	0.206	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	137.1	-178.7	178.7	0	0	0	0	110.5	L490 L540 V541 I543 A572	L490-V570 HydrophobicContact CD1-CG1 4.48Å; L490-V570 HydrophobicContact CD2-CG1 4.1Å; L540-V570 HydrophobicContact CD1-CG2 4.2Å; V541-V570 PolarHBondContact O-N 2.9Å; I543-V570 PolarHBondContact N-O 3.32Å; V570-A572 HydrophobicContact CG1-CB 4.2Å
571	F	77.4	Confident	79.4	Confident	19 Å²	19	48.8 Å²	48.8	8%	0.083	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118	168.3	-71.2	-92.4	0	0	0	108.7	I482 I543 Q545 L547 V555 L559 Y569	I482-F571 HydrophobicContact CD1-CD1 4.18Å; I482-F571 HydrophobicContact CD1-CE1 4.23Å; I482-F571 HydrophobicContact CG1-CD1 4.01Å; I482-F571 HydrophobicContact CG1-CE1 4.19Å; I482-F571 HydrophobicContact CG1-CG 4.22Å; I543-F571 HydrophobicContact CB-CD1 3.76Å; I543-F571 HydrophobicContact CB-CE1 3.68Å; I543-F571 HydrophobicContact CB-CG 4.3Å; I543-F571 HydrophobicContact CB-CZ 4.14Å; I543-F571 HydrophobicContact CD1-CE1 4.13Å; I543-F571 HydrophobicContact CD1-CE2 4.08Å; I543-F571 HydrophobicContact CD1-CZ 3.71Å; I543-F571 HydrophobicContact CG1-CE1 4.48Å; I543-F571 HydrophobicContact CG1-CZ 4.47Å; I543-F571 HydrophobicContact CG2-CD1 3.72Å; I543-F571 HydrophobicContact CG2-CE1 3.29Å; I543-F571 HydrophobicContact CG2-CZ 3.98Å; Q545-F571 HydrophobicContact CG-CB 4.25Å; Q545-F571 VanDerWaalsContact NE2-C 3.34Å; Q545-F571 PolarHBondContact NE2-O 3.47Å; Q545-F571 VanDerWaalsContact NE2-O 3.08Å; L547-F571 HydrophobicContact CD1-CE1 4.09Å; V555-F571 HydrophobicContact CG1-CZ 4.27Å; L559-F571 HydrophobicContact CD1-CE2 4.39Å; L559-F571 HydrophobicContact CD1-CZ 4.11Å; L559-F571 HydrophobicContact CD2-CE2 4.27Å; L559-F571 HydrophobicContact CD2-CZ 4.38Å; Y569-F571 HydrophobicContact CD2-CD2 4.27Å; Y569-F571 AromaticContact CD2-CE2 3.89Å; Y569-F571 HydrophobicContact CD2-CE2 3.89Å; Y569-F571 HydrophobicContact CE2-CD2 4.41Å; Y569-F571 AromaticContact CE2-CE2 3.89Å; Y569-F571 HydrophobicContact CE2-CE2 3.89Å
572	A	72.4	Confident	79.2	Confident	2 Å²	2	49.1 Å²	49.1	2%	0.017	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-43.5	177.6	0	0	0	0	0	112.9	P486 L490 D491 L494 I543 V570	P486-A572 HydrophobicContact CB-CB 3.92Å; L490-A572 HydrophobicContact CD2-CB 4.29Å; L490-A572 HydrophobicContact CG-CB 4.24Å; D491-A572 WeakPolarHBondContact OD1-CB 3.48Å; L494-A572 HydrophobicContact CD2-CB 3.7Å; I543-A572 PolarHBondContact O-N 3.18Å; V570-A572 HydrophobicContact CG1-CB 4.2Å
573	L	78.3	Confident	79	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	154.8	-168.2	-65.2	164.8	0	0	0	112.3	D491 L494 K495 L498 V542 A544 Q545 T577 L578	D491-L573 WeakPolarHBondContact OD1-CD2 3.28Å; D491-L573 PolarHBondContact OD1-N 3.08Å; L494-L573 HydrophobicContact CD2-CD1 3.74Å; L494-L573 HydrophobicContact CD2-CG 4Å; L494-L573 HydrophobicContact CG-CD1 3.93Å; K495-L573 HydrophobicContact CD-CD2 4.08Å; K495-L573 HydrophobicContact CG-CD2 3.53Å; L498-L573 HydrophobicContact CD1-CD1 3.39Å; V542-L573 HydrophobicContact CG1-CD1 4.08Å; A544-L573 CarbonylContact C-O 3.49Å; A544-L573 VanDerWaalsContact C-O 3.32Å; A544-L573 WeakPolarHBondContact CA-O 3.33Å; A544-L573 WeakPolarHBondContact CB-O 3.48Å; Q545-L573 PolarHBondContact N-O 3.43Å; L573-T577 HydrophobicContact CD2-CG2 3.79Å; L573-L578 HydrophobicContact CB-CB 4.1Å; L573-L578 HydrophobicContact CB-CD1 4.34Å; L573-L578 HydrophobicContact CD1-CD1 3.47Å; L573-L578 VanDerWaalsContact CD1-CD1 3.47Å
574	S	83.5	Confident	78.7	Confident	38 Å²	38	58.6 Å²	58.6	27%	0.266	29%	0.291	S	S	.	.			trans	-78.1	161.2	162.4	78.6	0	0	0	0	111.4	D546 V576 T577 L578	D546-S574 WeakPolarHBondContact OD1-CA 3.46Å; S574-V576 PolarHBondContact O-N 3.3Å; S574-T577 CarbonylContact O-C 3.55Å; S574-T577 WeakPolarHBondContact O-CA 3.47Å; S574-T577 PolarHBondContact O-N 2.96Å; S574-T577 WeakPolarHBondContact OG-CB 3.34Å; S574-T577 PolarHBondContact OG-N 3.4Å; S574-T577 VanDerWaalsContact OG-N 3.11Å; S574-T577 PolarHBondContact OG-OG1 2.99Å; S574-L578 VanDerWaalsContact O-CB 3.32Å; S574-L578 WeakPolarHBondContact O-CB 3.44Å; S574-L578 PolarHBondContact O-N 3.37Å
575	R	86	Confident	78.4	Confident	47 Å²	47	53 Å²	53	18%	0.177	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-41.1	-179.8	-76.2	176.3	66.7	-153.6	9.2	110.4	A544 D546 E548 G579 P587 V588 A589	A544-R575 HydrophobicContact CB-CB 4.3Å; A544-R575 HydrophobicContact CB-CG 3.5Å; A544-R575 VanDerWaalsContact CB-CG 3.5Å; D546-R575 VanDerWaalsContact CG-N 3.26Å; D546-R575 WeakPolarHBondContact O-CD 3.23Å; D546-R575 WeakPolarHBondContact O-CG 3.26Å; D546-R575 WeakPolarHBondContact OD1-CG 3.49Å; D546-R575 PolarHBondContact OD1-N 3.11Å; D546-R575 PolarHBondContact OD2-N 3.03Å; D546-R575 VanDerWaalsContact OD2-N 3.11Å; E548-R575 VanDerWaalsContact CD-NH1 3.26Å; E548-R575 VanDerWaalsContact CG-NH1 3.34Å; E548-R575 IonicContact OE1-CZ 2.66Å; E548-R575 IonicContact OE1-NH1 2.88Å; E548-R575 PolarHBondContact OE1-NH1 3.46Å; E548-R575 IonicContact OE1-NH2 3.21Å; E548-R575 PolarHBondContact OE1-NH2 2.82Å; R575-G579 WeakPolarHBondContact O-CA 3.45Å; R575-G579 PolarHBondContact O-N 2.82Å; R575-P587 HydrophobicContact CB-CB 4.04Å; R575-P587 VanDerWaalsContact O-CA 3.29Å; R575-P587 WeakPolarHBondContact O-CA 3.35Å; R575-V588 VanDerWaalsContact CA-O 3.22Å; R575-V588 WeakPolarHBondContact CA-O 3.43Å; R575-V588 PolarHBondContact O-N 2.71Å; R575-A589 HydrophobicContact CG-CB 4.32Å
576	V	84.6	Confident	78.5	Confident	58 Å²	58	57.8 Å²	57.8	35%	0.352	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-43.4	174.7	-179	0	0	0	0	110.2	S574 G579 R580	S574-V576 PolarHBondContact O-N 3.3Å; V576-G579 PolarHBondContact O-N 3.37Å; V576-R580 WeakPolarHBondContact O-CB 3.3Å; V576-R580 VanDerWaalsContact O-CG 3.26Å; V576-R580 WeakPolarHBondContact O-CG 3.14Å; V576-R580 PolarHBondContact O-N 2.86Å
577	T	83	Confident	78.6	Confident	31 Å²	31	57.2 Å²	57.2	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-46.1	-178.5	-55.9	0	0	0	0	112	K495 L573 S574 G579 R580 T581	K495-T577 HydrophobicContact CD-CG2 3.9Å; K495-T577 VanDerWaalsContact CE-CG2 3.42Å; K495-T577 HydrophobicContact CG-CG2 4.19Å; L573-T577 HydrophobicContact CD2-CG2 3.79Å; S574-T577 CarbonylContact O-C 3.55Å; S574-T577 WeakPolarHBondContact O-CA 3.47Å; S574-T577 PolarHBondContact O-N 2.96Å; S574-T577 WeakPolarHBondContact OG-CB 3.34Å; S574-T577 PolarHBondContact OG-N 3.4Å; S574-T577 VanDerWaalsContact OG-N 3.11Å; S574-T577 PolarHBondContact OG-OG1 2.99Å; T577-G579 VanDerWaalsContact C-N 3.29Å; T577-G579 PolarHBondContact O-N 3.18Å; T577-R580 PolarHBondContact O-N 3.23Å; T577-T581 WeakPolarHBondContact O-CG2 3.37Å; T577-T581 PolarHBondContact O-N 3.48Å; T577-T581 PolarHBondContact O-OG1 3.36Å
578	L	81	Confident	78.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.1	-43.8	172.4	-167.4	63.8	0	0	0	110.3	L498 V542 A544 L573 S574 R580 T581 V582 V588 V591	L498-L578 HydrophobicContact CD1-CD1 3.48Å; L498-L578 VanDerWaalsContact CD1-CD1 3.48Å; V542-L578 HydrophobicContact CG1-CD1 3.91Å; A544-L578 HydrophobicContact CB-CD2 4.35Å; L573-L578 HydrophobicContact CB-CB 4.1Å; L573-L578 HydrophobicContact CB-CD1 4.34Å; L573-L578 HydrophobicContact CD1-CD1 3.47Å; L573-L578 VanDerWaalsContact CD1-CD1 3.47Å; S574-L578 VanDerWaalsContact O-CB 3.32Å; S574-L578 WeakPolarHBondContact O-CB 3.44Å; S574-L578 PolarHBondContact O-N 3.37Å; L578-R580 PolarHBondContact O-N 3.03Å; L578-T581 PolarHBondContact O-N 3.27Å; L578-T581 PolarHBondContact O-OG1 2.85Å; L578-V582 HydrophobicContact CG-CG2 4.4Å; L578-V582 WeakPolarHBondContact O-CG2 3.27Å; L578-V582 PolarHBondContact O-N 3.45Å; L578-V588 HydrophobicContact CD2-CB 4.48Å; L578-V588 HydrophobicContact CD2-CG1 4.22Å; L578-V588 WeakPolarHBondContact CD2-O 3.5Å; L578-V588 HydrophobicContact CG-CB 4.45Å; L578-V591 HydrophobicContact CD1-CB 4.08Å; L578-V591 HydrophobicContact CD1-CG2 3.66Å; L578-V591 HydrophobicContact CD2-CB 4.23Å; L578-V591 HydrophobicContact CD2-CG2 3.68Å; L578-V591 HydrophobicContact CG-CB 4.42Å; L578-V591 HydrophobicContact CG-CG2 3.6Å
579	G	82.7	Confident	79.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.9	-43	174.4	0	0	0	0	0	114.7	R575 V576 T577 Y583 K584 G585 R586	R575-G579 WeakPolarHBondContact O-CA 3.45Å; R575-G579 PolarHBondContact O-N 2.82Å; V576-G579 PolarHBondContact O-N 3.37Å; T577-G579 VanDerWaalsContact C-N 3.29Å; T577-G579 PolarHBondContact O-N 3.18Å; G579-Y583 CarbonylContact O-C 3.47Å; G579-Y583 VanDerWaalsContact O-CA 3.32Å; G579-Y583 WeakPolarHBondContact O-CA 3.39Å; G579-Y583 PolarHBondContact O-N 3.42Å; G579-K584 PolarHBondContact O-N 3.07Å; G579-G585 PolarHBondContact O-N 3.35Å; G579-R586 CarbonylContact C-O 3.58Å; G579-R586 WeakPolarHBondContact CA-O 3.48Å
580	R	83.7	Confident	79.4	Confident	174 Å²	174	51.1 Å²	51.1	66%	0.657	25%	0.249	S	C	*	.	H	α-helix	trans	-66.1	-38.3	176.1	-75.3	173.2	-177.6	173.6	2.2	112	V576 T577 L578	V576-R580 WeakPolarHBondContact O-CB 3.3Å; V576-R580 VanDerWaalsContact O-CG 3.26Å; V576-R580 WeakPolarHBondContact O-CG 3.14Å; V576-R580 PolarHBondContact O-N 2.86Å; T577-R580 PolarHBondContact O-N 3.23Å; L578-R580 PolarHBondContact O-N 3.03Å
581	T	76.9	Confident	79.5	Confident	24 Å²	24	49.5 Å²	49.5	15%	0.147	24%	0.239	C	C	.	.	H	α-helix	trans	-70.4	-53.5	178	56.8	0	0	0	0	111	K495 K502 T577 L578	K495-T581 HydrophobicContact CB-CG2 4.44Å; K495-T581 HydrophobicContact CG-CG2 4.19Å; K502-T581 WeakPolarHBondContact CD-O 3.27Å; K502-T581 PolarHBondContact NZ-O 2.98Å; T577-T581 WeakPolarHBondContact O-CG2 3.37Å; T577-T581 PolarHBondContact O-N 3.48Å; T577-T581 PolarHBondContact O-OG1 3.36Å; L578-T581 PolarHBondContact O-N 3.27Å; L578-T581 PolarHBondContact O-OG1 2.85Å
582	V	74.7	Confident	79.2	Confident	22 Å²	22	48.6 Å²	48.6	13%	0.133	24%	0.235	C	C	.	.	H	α-helix	trans	-98.4	-33.7	-170.3	-69.8	0	0	0	0	115	L498 K502 V523 L578 V591	L498-V582 HydrophobicContact CB-CG1 4.32Å; L498-V582 HydrophobicContact CD2-CG1 4.44Å; K502-V582 PolarHBondContact NZ-O 2.94Å; V523-V582 HydrophobicContact CG1-CB 4.03Å; V523-V582 HydrophobicContact CG1-CG1 3.61Å; L578-V582 HydrophobicContact CG-CG2 4.4Å; L578-V582 WeakPolarHBondContact O-CG2 3.27Å; L578-V582 PolarHBondContact O-N 3.45Å; V582-V591 HydrophobicContact CB-CG2 4.48Å; V582-V591 HydrophobicContact CG1-CG2 4.48Å; V582-V591 HydrophobicContact CG2-CG2 3.5Å
583	Y	75.5	Confident	79.1	Confident	123 Å²	123	48.8 Å²	48.8	48%	0.482	24%	0.236	S	C	.	.	S	Bend	trans	-128.3	49.3	-161.8	-160.3	-122	0	0	0	115.3	G579 G585 R586 V588	G579-Y583 CarbonylContact O-C 3.47Å; G579-Y583 VanDerWaalsContact O-CA 3.32Å; G579-Y583 WeakPolarHBondContact O-CA 3.39Å; G579-Y583 PolarHBondContact O-N 3.42Å; Y583-G585 PolarHBondContact O-N 3.12Å; Y583-R586 HydrophobicContact CD1-CB 3.65Å; Y583-R586 HydrophobicContact CD1-CG 4.48Å; Y583-R586 HydrophobicContact CE1-CB 4.05Å; Y583-R586 PolarHBondContact O-N 3.16Å; Y583-R586 VanDerWaalsContact O-N 3.09Å; Y583-V588 HydrophobicContact CD1-CG2 3.85Å; Y583-V588 HydrophobicContact CG-CG2 4Å
584	K	74.5	Confident	78.6	Confident	201 Å²	201	49.3 Å²	49.3	87%	0.874	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	30.8	173.6	-58.1	-176.5	179	-177.2	0	113.7	G579 R586	G579-K584 PolarHBondContact O-N 3.07Å; K584-R586 PolarHBondContact O-N 2.92Å
585	G	76.8	Confident	77.6	Confident	35 Å²	35	50.4 Å²	50.4	36%	0.361	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-3.8	177.1	0	0	0	0	0	115.7	G579 Y583	G579-G585 PolarHBondContact O-N 3.35Å; Y583-G585 PolarHBondContact O-N 3.12Å
586	R	80.9	Confident	76.3	Confident	165 Å²	165	50 Å²	50	62%	0.623	24%	0.242	S	C	*	.			trans	-76.2	136.2	173	-72.9	-176.8	-179.1	-167.2	-0.9	110	G579 Y583 K584 V588	G579-R586 CarbonylContact C-O 3.58Å; G579-R586 WeakPolarHBondContact CA-O 3.48Å; Y583-R586 HydrophobicContact CD1-CB 3.65Å; Y583-R586 HydrophobicContact CD1-CG 4.48Å; Y583-R586 HydrophobicContact CE1-CB 4.05Å; Y583-R586 PolarHBondContact O-N 3.16Å; Y583-R586 VanDerWaalsContact O-N 3.09Å; K584-R586 PolarHBondContact O-N 2.92Å; R586-V588 PolarHBondContact O-N 3.47Å
587	P	82	Confident	74.9	Confident	75 Å²	75	54.8 Å²	54.8	49%	0.487	26%	0.26	S	S	.	.			trans	-61.5	134.1	-177.5	24.5	-32.9	0	0	0	111.6	R575	R575-P587 HydrophobicContact CB-CB 4.04Å; R575-P587 VanDerWaalsContact O-CA 3.29Å; R575-P587 WeakPolarHBondContact O-CA 3.35Å
588	V	80.3	Confident	73.1	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.109	28%	0.277	C	S	.	.			trans	-130.1	131.5	-179.7	176.3	0	0	0	0	108.8	R575 L578 Y583 R586 F590 V591	R575-V588 VanDerWaalsContact CA-O 3.22Å; R575-V588 WeakPolarHBondContact CA-O 3.43Å; R575-V588 PolarHBondContact O-N 2.71Å; L578-V588 HydrophobicContact CD2-CB 4.48Å; L578-V588 HydrophobicContact CD2-CG1 4.22Å; L578-V588 WeakPolarHBondContact CD2-O 3.5Å; L578-V588 HydrophobicContact CG-CB 4.45Å; Y583-V588 HydrophobicContact CD1-CG2 3.85Å; Y583-V588 HydrophobicContact CG-CG2 4Å; R586-V588 PolarHBondContact O-N 3.47Å; V588-F590 WeakPolarHBondContact CG1-O 3.41Å; V588-V591 HydrophobicContact CG1-CG2 3.96Å
589	A	81.5	Confident	71.5	Confident	7 Å²	7	58.5 Å²	58.5	6%	0.058	28%	0.281	C	S	.	.	S	Bend	trans	-86.4	-28.7	-179.1	0	0	0	0	0	114.3	A544 L547 L551 R575	A544-A589 WeakPolarHBondContact CB-O 3.31Å; A544-A589 PolarHBondContact N-O 3.26Å; L547-A589 HydrophobicContact CD2-CB 3.88Å; L551-A589 HydrophobicContact CD1-CB 3.68Å; R575-A589 HydrophobicContact CG-CB 4.32Å
590	F	80	Confident	70.1	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.3	-176.5	-43.1	-92.5	0	0	0	110.5	L526 V542 I543 L547 L551 V555 L558 V588	L526-F590 HydrophobicContact CB-CD2 4.41Å; L526-F590 HydrophobicContact CD1-CD2 3.28Å; L526-F590 HydrophobicContact CD1-CE2 3.56Å; L526-F590 HydrophobicContact CD1-CG 4.28Å; L526-F590 HydrophobicContact CG-CD2 4.32Å; V542-F590 WeakPolarHBondContact O-CA 3.47Å; I543-F590 HydrophobicContact CB-CD1 4.25Å; I543-F590 HydrophobicContact CD1-CD1 4.41Å; I543-F590 HydrophobicContact CG1-CD1 4.01Å; I543-F590 HydrophobicContact CG2-CD1 3.65Å; I543-F590 HydrophobicContact CG2-CE1 3.55Å; L547-F590 HydrophobicContact CD2-CE1 4.14Å; L547-F590 HydrophobicContact CD2-CE2 4.47Å; L547-F590 HydrophobicContact CD2-CZ 3.79Å; L551-F590 HydrophobicContact CD1-CE2 4.47Å; V555-F590 HydrophobicContact CB-CE1 4.29Å; V555-F590 HydrophobicContact CB-CZ 4.44Å; V555-F590 HydrophobicContact CG1-CE1 4.36Å; V555-F590 HydrophobicContact CG2-CE1 3.54Å; V555-F590 HydrophobicContact CG2-CZ 3.36Å; L558-F590 HydrophobicContact CD2-CD1 3.79Å; L558-F590 HydrophobicContact CD2-CE1 4.3Å; L558-F590 HydrophobicContact CD2-CG 4.36Å; V588-F590 WeakPolarHBondContact CG1-O 3.41Å
591	V	74.8	Confident	68.6	Low	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.6	173.6	166.6	0	0	0	0	108.3	L498 V523 V542 L578 V582 V588	L498-V591 HydrophobicContact CD2-CG1 4.09Å; V523-V591 HydrophobicContact CG1-CG1 3.41Å; V523-V591 VanDerWaalsContact CG1-CG1 3.41Å; V542-V591 HydrophobicContact CB-CB 4.37Å; V542-V591 PolarHBondContact N-O 2.85Å; V542-V591 PolarHBondContact O-N 2.81Å; L578-V591 HydrophobicContact CD1-CB 4.08Å; L578-V591 HydrophobicContact CD1-CG2 3.66Å; L578-V591 HydrophobicContact CD2-CB 4.23Å; L578-V591 HydrophobicContact CD2-CG2 3.68Å; L578-V591 HydrophobicContact CG-CB 4.42Å; L578-V591 HydrophobicContact CG-CG2 3.6Å; V582-V591 HydrophobicContact CB-CG2 4.48Å; V582-V591 HydrophobicContact CG1-CG2 4.48Å; V582-V591 HydrophobicContact CG2-CG2 3.5Å; V588-V591 HydrophobicContact CG1-CG2 3.96Å
592	A	69.8	Low	67.3	Low	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.8	171	0	0	0	0	0	111.1	C524 T529 V538	C524-A592 PolarHBondContact N-O 2.67Å; C524-A592 PolarHBondContact O-N 3.07Å; C524-A592 WeakPolarHBondContact SG-CB 3.08Å; C524-A592 PolarHBondContact SG-O 2.88Å; C524-A592 VanDerWaalsContact SG-O 3.37Å; T529-A592 HydrophobicContact CG2-CB 3.51Å; V538-A592 HydrophobicContact CG1-CB 3.8Å; V538-A592 HydrophobicContact CG2-CB 3.93Å
593	I	70.4	Confident	66.1	Low	5 Å²	5	62.6 Å²	62.6	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.1	176.4	-60.6	167.9	0	0	0	107.8	L498 L501 K539 L540 V542	L498-I593 HydrophobicContact CD2-CD1 4.18Å; L501-I593 HydrophobicContact CD1-CD1 3.68Å; L501-I593 HydrophobicContact CD1-CG1 3.76Å; L501-I593 HydrophobicContact CD1-CG2 3.97Å; K539-I593 PolarHBondContact N-O 2.84Å; L540-I593 HydrophobicContact CB-CB 4.32Å; L540-I593 HydrophobicContact CB-CD1 4.18Å; L540-I593 HydrophobicContact CD2-CD1 3.84Å; L540-I593 HydrophobicContact CG-CD1 4.29Å; L540-I593 PolarHBondContact O-N 3.45Å; V542-I593 HydrophobicContact CG2-CD1 4.2Å
594	L	68.4	Low	65.6	Low	12 Å²	12	62.7 Å²	62.7	6%	0.063	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	137.5	-170.5	-60.2	-165.8	0	0	0	113	R521 L522 Y532 K537 V538 Y596 Y603	R521-L594 WeakPolarHBondContact O-CD1 3.12Å; R521-L594 WeakPolarHBondContact O-CG 3.42Å; L522-L594 PolarHBondContact O-N 3.4Å; L522-L594 VanDerWaalsContact O-N 3.12Å; Y532-L594 HydrophobicContact CD1-CD1 4.02Å; Y532-L594 HydrophobicContact CD1-CD2 4.09Å; Y532-L594 HydrophobicContact CD2-CD1 4Å; Y532-L594 HydrophobicContact CD2-CD2 3.79Å; Y532-L594 HydrophobicContact CE1-CD1 3.93Å; Y532-L594 HydrophobicContact CE2-CD1 3.88Å; Y532-L594 HydrophobicContact CE2-CD2 4.49Å; Y532-L594 HydrophobicContact CG-CD1 4.07Å; Y532-L594 HydrophobicContact CG-CD2 3.56Å; K537-L594 CarbonylContact O-C 3.19Å; K537-L594 WeakPolarHBondContact O-CA 3.47Å; K537-L594 WeakPolarHBondContact O-CD2 3.25Å; V538-L594 HydrophobicContact CG2-CD2 3.7Å; L594-Y596 PolarHBondContact O-N 2.89Å; L594-Y603 PolarHBondContact O-OH 3.27Å
595	T	62.9	Low	64.4	Low	60 Å²	60	57.5 Å²	57.5	37%	0.368	29%	0.29	S	S	.	.			trans	-51.3	119.1	167.6	55.6	0	0	0	0	109.2	K537 K539 Y603	K537-T595 WeakPolarHBondContact CA-OG1 3.27Å; K537-T595 PolarHBondContact O-N 2.89Å; K537-T595 PolarHBondContact O-OG1 2.99Å; K537-T595 VanDerWaalsContact O-OG1 3.09Å; K539-T595 HydrophobicContact CB-CG2 4.37Å; K539-T595 HydrophobicContact CG-CG2 3.45Å; K539-T595 VanDerWaalsContact CG-CG2 3.45Å; T595-Y603 WeakPolarHBondContact CA-OH 3.42Å; T595-Y603 PolarHBondContact N-OH 3.35Å; T595-Y603 VanDerWaalsContact N-OH 3.1Å
596	Y	58.8	Low	63.1	Low	39 Å²	39	56 Å²	56	15%	0.153	27%	0.274	C	S	.	.			trans	-134.9	122.6	175.6	-159.7	-95.8	0	0	0	108.4	L516 K520 L522 L594 D598 A599	L516-Y596 WeakPolarHBondContact CD1-OH 3.36Å; L516-Y596 HydrophobicContact CD2-CE2 4.17Å; K520-Y596 HydrophobicContact CB-CE2 4.2Å; L522-Y596 HydrophobicContact CD2-CG 4.24Å; L594-Y596 PolarHBondContact O-N 2.89Å; Y596-D598 VanDerWaalsContact C-N 3.3Å; Y596-D598 HydrophobicContact CD1-CB 3.89Å; Y596-D598 HydrophobicContact CE1-CB 3.6Å; Y596-D598 WeakPolarHBondContact CE1-OD2 3.29Å; Y596-D598 PolarHBondContact O-N 3.36Å; Y596-D598 PolarHBondContact OH-OD2 3.01Å; Y596-A599 HydrophobicContact CD1-CB 3.96Å; Y596-A599 HydrophobicContact CG-CB 4.25Å; Y596-A599 PolarHBondContact O-N 3.16Å
597	H	54.6	Low	62.2	Low	158 Å²	158	52.3 Å²	52.3	73%	0.731	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-56.8	-46.5	-177.8	-178	-83.3	0	0	0	110.4	A599 Q600	H597-A599 PolarHBondContact O-N 3.04Å; H597-Q600 PolarHBondContact O-N 3.23Å
598	D	44.8	Very low	61.3	Low	101 Å²	101	51.6 Å²	51.6	54%	0.54	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-80.2	-1.4	179.9	-30.9	-39.4	0	0	0	113	Y596	Y596-D598 VanDerWaalsContact C-N 3.3Å; Y596-D598 HydrophobicContact CD1-CB 3.89Å; Y596-D598 HydrophobicContact CE1-CB 3.6Å; Y596-D598 WeakPolarHBondContact CE1-OD2 3.29Å; Y596-D598 PolarHBondContact O-N 3.36Å; Y596-D598 PolarHBondContact OH-OD2 3.01Å
599	A	47	Very low	60.1	Low	9 Å²	9	53.8 Å²	53.8	7%	0.074	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-101.4	16.9	175.4	0	0	0	0	0	111.1	L522 Y596 H597 E601 L602 Y603	L522-A599 HydrophobicContact CD2-CB 4.08Å; Y596-A599 HydrophobicContact CD1-CB 3.96Å; Y596-A599 HydrophobicContact CG-CB 4.25Å; Y596-A599 PolarHBondContact O-N 3.16Å; H597-A599 PolarHBondContact O-N 3.04Å; A599-E601 PolarHBondContact O-N 2.84Å; A599-L602 HydrophobicContact CB-CB 3.87Å; A599-L602 HydrophobicContact CB-CD2 4.06Å; A599-L602 CarbonylContact O-C 3.24Å; A599-L602 VanDerWaalsContact O-CA 3.31Å; A599-L602 WeakPolarHBondContact O-CA 3.45Å; A599-L602 WeakPolarHBondContact O-CB 3.45Å; A599-L602 PolarHBondContact O-N 3.1Å; A599-Y603 HydrophobicContact CB-CD2 4.49Å; A599-Y603 HydrophobicContact CB-CE2 4.28Å; A599-Y603 WeakPolarHBondContact O-CD2 3.49Å; A599-Y603 PolarHBondContact O-N 3.41Å
600	Q	53.3	Low	58.8	Low	124 Å²	124	55.3 Å²	55.3	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-55.5	-37.4	176	-169.6	167.3	-11.3	0	0	112.4	H597 L602 Y603 Q604	H597-Q600 PolarHBondContact O-N 3.23Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.85Å; Q600-Y603 WeakPolarHBondContact O-CB 3.31Å; Q600-Y603 PolarHBondContact O-N 2.66Å; Q600-Q604 PolarHBondContact O-N 3.25Å
601	E	51.9	Low	58.2	Low	150 Å²	150	58 Å²	58	70%	0.701	30%	0.304	S	S	*	.	H	α-helix	trans	-61.2	-41.5	171.3	-170.2	-174.2	-177.7	0	0	111.5	A599 Y603 Q604 L605	A599-E601 PolarHBondContact O-N 2.84Å; E601-Y603 VanDerWaalsContact C-N 3.3Å; E601-Y603 PolarHBondContact O-N 3.26Å; E601-Q604 PolarHBondContact O-N 2.94Å; E601-L605 WeakPolarHBondContact O-CG 3.4Å; E601-L605 PolarHBondContact O-N 2.96Å; E601-L605 VanDerWaalsContact O-N 3.11Å
602	L	49.4	Very low	57.4	Low	12 Å²	12	61.3 Å²	61.3	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-65.8	-34.7	175.7	-163.2	53.9	0	0	0	111.8	L501 L504 L522 A599 Q600 L605 V606	L501-L602 HydrophobicContact CD2-CD1 3.73Å; L501-L602 HydrophobicContact CD2-CD2 3.13Å; L501-L602 HydrophobicContact CD2-CG 3.32Å; L504-L602 HydrophobicContact CD1-CD1 3.24Å; L504-L602 HydrophobicContact CD1-CD2 3.73Å; L504-L602 HydrophobicContact CD1-CG 4.02Å; L522-L602 HydrophobicContact CD1-CD2 4.19Å; L522-L602 HydrophobicContact CD2-CD2 4.4Å; A599-L602 HydrophobicContact CB-CB 3.87Å; A599-L602 HydrophobicContact CB-CD2 4.06Å; A599-L602 CarbonylContact O-C 3.24Å; A599-L602 VanDerWaalsContact O-CA 3.31Å; A599-L602 WeakPolarHBondContact O-CA 3.45Å; A599-L602 WeakPolarHBondContact O-CB 3.45Å; A599-L602 PolarHBondContact O-N 3.1Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.85Å; L602-L605 WeakPolarHBondContact O-CB 3.49Å; L602-L605 PolarHBondContact O-N 2.97Å; L602-V606 WeakPolarHBondContact O-CG2 3.4Å; L602-V606 PolarHBondContact O-N 3.47Å
603	Y	51.5	Low	56.5	Low	19 Å²	19	61.7 Å²	61.7	8%	0.075	33%	0.33	C	S	.	.	H	α-helix	trans	-65.7	-44.1	173.9	-80.7	-64.4	0	0	0	112.5	K539 L594 T595 A599 Q600 E601 L605 V606 D607	K539-Y603 HydrophobicContact CB-CD1 4.39Å; K539-Y603 HydrophobicContact CB-CE1 3.46Å; K539-Y603 VanDerWaalsContact CB-CE1 3.46Å; K539-Y603 HydrophobicContact CD-CD1 3.71Å; K539-Y603 HydrophobicContact CD-CE1 3.47Å; K539-Y603 VanDerWaalsContact CD-CE1 3.47Å; K539-Y603 HydrophobicContact CD-CG 4.46Å; K539-Y603 HydrophobicContact CG-CD1 4.23Å; K539-Y603 HydrophobicContact CG-CE1 3.46Å; K539-Y603 VanDerWaalsContact CG-CE1 3.46Å; L594-Y603 PolarHBondContact O-OH 3.27Å; T595-Y603 WeakPolarHBondContact CA-OH 3.42Å; T595-Y603 PolarHBondContact N-OH 3.35Å; T595-Y603 VanDerWaalsContact N-OH 3.1Å; A599-Y603 HydrophobicContact CB-CD2 4.49Å; A599-Y603 HydrophobicContact CB-CE2 4.28Å; A599-Y603 WeakPolarHBondContact O-CD2 3.49Å; A599-Y603 PolarHBondContact O-N 3.41Å; Q600-Y603 WeakPolarHBondContact O-CB 3.31Å; Q600-Y603 PolarHBondContact O-N 2.66Å; E601-Y603 VanDerWaalsContact C-N 3.3Å; E601-Y603 PolarHBondContact O-N 3.26Å; Y603-L605 PolarHBondContact O-N 3.09Å; Y603-V606 PolarHBondContact O-N 3.49Å; Y603-V606 VanDerWaalsContact O-N 3.14Å; Y603-D607 WeakPolarHBondContact O-CB 3.29Å; Y603-D607 PolarHBondContact O-N 3.23Å
604	Q	62.9	Low	55.9	Low	126 Å²	126	67 Å²	67	59%	0.589	35%	0.353	S	S	*	.	H	α-helix	trans	-59.7	-38.6	175.2	-70.6	174.7	-14.1	0	0	111	Q600 E601 A608	Q600-Q604 PolarHBondContact O-N 3.25Å; E601-Q604 PolarHBondContact O-N 2.94Å; Q604-A608 WeakPolarHBondContact O-CB 3.31Å; Q604-A608 PolarHBondContact O-N 3.07Å
605	L	50.8	Low	55.6	Low	92 Å²	92	72.5 Å²	72.5	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-43.3	173.2	-67.7	171.8	0	0	0	112.6	E601 L602 Y603 E609	E601-L605 WeakPolarHBondContact O-CG 3.4Å; E601-L605 PolarHBondContact O-N 2.96Å; E601-L605 VanDerWaalsContact O-N 3.11Å; L602-L605 WeakPolarHBondContact O-CB 3.49Å; L602-L605 PolarHBondContact O-N 2.97Å; Y603-L605 PolarHBondContact O-N 3.09Å; L605-E609 VanDerWaalsContact O-CB 3.28Å; L605-E609 WeakPolarHBondContact O-CB 3.32Å; L605-E609 PolarHBondContact O-N 3.42Å
606	V	50.1	Low	55.1	Low	4 Å²	4	71.2 Å²	71.2	2%	0.024	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-49.6	176.2	172.1	0	0	0	0	110.7	L497 L501 L540 L602 Y603 A608 E609 I610	L497-V606 HydrophobicContact CD1-CB 4.12Å; L497-V606 HydrophobicContact CD1-CG2 3.36Å; L497-V606 HydrophobicContact CD2-CB 4.16Å; L497-V606 HydrophobicContact CD2-CG1 3.76Å; L497-V606 HydrophobicContact CD2-CG2 3.91Å; L497-V606 HydrophobicContact CG-CG2 4.14Å; L501-V606 HydrophobicContact CD2-CG2 4.41Å; L540-V606 HydrophobicContact CD2-CG1 4.43Å; L602-V606 WeakPolarHBondContact O-CG2 3.4Å; L602-V606 PolarHBondContact O-N 3.47Å; Y603-V606 PolarHBondContact O-N 3.49Å; Y603-V606 VanDerWaalsContact O-N 3.14Å; V606-A608 VanDerWaalsContact C-N 3.34Å; V606-E609 PolarHBondContact O-N 3.16Å; V606-I610 HydrophobicContact CG1-CD1 3.56Å; V606-I610 HydrophobicContact CG1-CG1 4.26Å; V606-I610 WeakPolarHBondContact O-CB 3.49Å; V606-I610 VanDerWaalsContact O-CG1 3.24Å; V606-I610 WeakPolarHBondContact O-CG1 3.42Å; V606-I610 PolarHBondContact O-N 3.45Å
607	D	60.6	Low	54.8	Low	87 Å²	87	72 Å²	72	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-65.5	-40	-178	-71.7	-23	0	0	0	110.4	Y603 A611	Y603-D607 WeakPolarHBondContact O-CB 3.29Å; Y603-D607 PolarHBondContact O-N 3.23Å; D607-A611 VanDerWaalsContact O-CB 3.23Å; D607-A611 WeakPolarHBondContact O-CB 3.26Å; D607-A611 PolarHBondContact O-N 3.02Å
608	A	63.5	Low	54.9	Low	59 Å²	59	70.1 Å²	70.1	49%	0.488	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-42	172.9	0	0	0	0	0	112.3	Q604 V606 A611 S612	Q604-A608 WeakPolarHBondContact O-CB 3.31Å; Q604-A608 PolarHBondContact O-N 3.07Å; V606-A608 VanDerWaalsContact C-N 3.34Å; A608-A611 PolarHBondContact O-N 2.86Å; A608-S612 VanDerWaalsContact O-CB 3.3Å; A608-S612 WeakPolarHBondContact O-CB 3.46Å; A608-S612 PolarHBondContact O-N 3.23Å
609	E	54.1	Low	55.7	Low	64 Å²	64	70.1 Å²	70.1	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-69.4	-40.1	178.4	-167.6	70.7	-163.2	0	0	111.5	A493 L605 V606 S612 S613	A493-E609 WeakPolarHBondContact CA-OE1 2.99Å; A493-E609 HydrophobicContact CB-CG 4.02Å; A493-E609 VanDerWaalsContact CB-OE1 3.29Å; A493-E609 WeakPolarHBondContact CB-OE1 3.47Å; L605-E609 VanDerWaalsContact O-CB 3.28Å; L605-E609 WeakPolarHBondContact O-CB 3.32Å; L605-E609 PolarHBondContact O-N 3.42Å; V606-E609 PolarHBondContact O-N 3.16Å; E609-S612 PolarHBondContact O-N 3.25Å; E609-S613 VanDerWaalsContact O-CB 3.26Å; E609-S613 WeakPolarHBondContact O-CB 3.48Å; E609-S613 PolarHBondContact O-N 3.48Å
610	I	56.1	Low	55.9	Low	40 Å²	40	72 Å²	72	21%	0.205	38%	0.381	C	S	.	.	H	α-helix	trans	-63.8	-43	173.5	-69.2	168.9	0	0	0	110.1	L540 V606 S613 K614	L540-I610 HydrophobicContact CD2-CD1 3.73Å; V606-I610 HydrophobicContact CG1-CD1 3.56Å; V606-I610 HydrophobicContact CG1-CG1 4.26Å; V606-I610 WeakPolarHBondContact O-CB 3.49Å; V606-I610 VanDerWaalsContact O-CG1 3.24Å; V606-I610 WeakPolarHBondContact O-CG1 3.42Å; V606-I610 PolarHBondContact O-N 3.45Å; I610-S613 PolarHBondContact O-N 3.26Å; I610-K614 HydrophobicContact CG2-CD 4.34Å; I610-K614 HydrophobicContact CG2-CG 4.5Å; I610-K614 WeakPolarHBondContact O-CB 3.4Å; I610-K614 WeakPolarHBondContact O-CG 3.37Å; I610-K614 PolarHBondContact O-N 3.12Å
611	A	66.3	Low	55.8	Low	56 Å²	56	69.5 Å²	69.5	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-44	176.4	0	0	0	0	0	111.7	D607 A608 S613 K614 K615	D607-A611 VanDerWaalsContact O-CB 3.23Å; D607-A611 WeakPolarHBondContact O-CB 3.26Å; D607-A611 PolarHBondContact O-N 3.02Å; A608-A611 PolarHBondContact O-N 2.86Å; A611-S613 VanDerWaalsContact C-N 3.33Å; A611-S613 PolarHBondContact O-N 3.49Å; A611-K614 PolarHBondContact O-N 3.15Å; A611-K615 WeakPolarHBondContact O-CB 3.49Å; A611-K615 PolarHBondContact O-N 3.34Å
612	S	57.3	Low	56.2	Low	71 Å²	71	67 Å²	67	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-61	-42.9	174.9	179.8	0	0	0	0	111.4	A608 E609 K615 A616	A608-S612 VanDerWaalsContact O-CB 3.3Å; A608-S612 WeakPolarHBondContact O-CB 3.46Å; A608-S612 PolarHBondContact O-N 3.23Å; E609-S612 PolarHBondContact O-N 3.25Å; S612-K615 PolarHBondContact O-N 3.37Å; S612-A616 WeakPolarHBondContact O-CB 3.33Å; S612-A616 PolarHBondContact O-N 3.46Å
613	S	50.8	Low	56.5	Low	7 Å²	7	69.7 Å²	69.7	5%	0.049	38%	0.379	C	S	.	.	H	α-helix	trans	-68.1	-37.2	177	-179.2	0	0	0	0	113.3	L490 E609 I610 A611 A616 H617	L490-S613 WeakPolarHBondContact CA-OG 3.22Å; L490-S613 VanDerWaalsContact CB-OG 3.28Å; L490-S613 WeakPolarHBondContact CB-OG 3.42Å; L490-S613 WeakPolarHBondContact CD1-OG 3.32Å; E609-S613 VanDerWaalsContact O-CB 3.26Å; E609-S613 WeakPolarHBondContact O-CB 3.48Å; E609-S613 PolarHBondContact O-N 3.48Å; I610-S613 PolarHBondContact O-N 3.26Å; A611-S613 VanDerWaalsContact C-N 3.33Å; A611-S613 PolarHBondContact O-N 3.49Å; S613-A616 PolarHBondContact O-N 3.02Å; S613-H617 WeakPolarHBondContact O-CB 3.31Å; S613-H617 PolarHBondContact O-N 2.95Å
614	K	57.9	Low	56.4	Low	118 Å²	118	71.7 Å²	71.7	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-46	173.4	-79.7	179.5	178.4	-176.3	0	110.4	I610 A611 A616 H617 E618	I610-K614 HydrophobicContact CG2-CD 4.34Å; I610-K614 HydrophobicContact CG2-CG 4.5Å; I610-K614 WeakPolarHBondContact O-CB 3.4Å; I610-K614 WeakPolarHBondContact O-CG 3.37Å; I610-K614 PolarHBondContact O-N 3.12Å; A611-K614 PolarHBondContact O-N 3.15Å; K614-A616 PolarHBondContact O-N 3.39Å; K614-H617 PolarHBondContact O-N 3.34Å; K614-H617 VanDerWaalsContact O-N 3.16Å; K614-E618 WeakPolarHBondContact O-CG 3.29Å; K614-E618 PolarHBondContact O-N 3.24Å
615	K	62.3	Low	56.1	Low	127 Å²	127	72.3 Å²	72.3	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-59.6	-45.9	176.4	-170.7	-179.8	178.6	-172.5	0	111.8	A611 S612 H617 E618 E619	A611-K615 WeakPolarHBondContact O-CB 3.49Å; A611-K615 PolarHBondContact O-N 3.34Å; S612-K615 PolarHBondContact O-N 3.37Å; K615-H617 VanDerWaalsContact C-N 3.28Å; K615-H617 PolarHBondContact O-N 3.46Å; K615-E618 PolarHBondContact O-N 3.34Å; K615-E619 WeakPolarHBondContact CE-OE1 3.43Å; K615-E619 WeakPolarHBondContact O-CB 3.4Å; K615-E619 WeakPolarHBondContact O-CG 3.49Å; K615-E619 PolarHBondContact O-N 2.65Å
616	A	52.9	Low	56.5	Low	33 Å²	33	75.3 Å²	75.3	27%	0.273	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-34.3	176.6	0	0	0	0	0	112.9	A489 S612 S613 K614 A620	A489-A616 HydrophobicContact CB-CB 4.29Å; S612-A616 WeakPolarHBondContact O-CB 3.33Å; S612-A616 PolarHBondContact O-N 3.46Å; S613-A616 PolarHBondContact O-N 3.02Å; K614-A616 PolarHBondContact O-N 3.39Å; A616-A620 WeakPolarHBondContact O-CB 3.25Å; A616-A620 PolarHBondContact O-N 2.93Å
617	H	51.8	Low	56.6	Low	55 Å²	55	84.7 Å²	84.7	26%	0.255	44%	0.443	S	S	.	.	H	α-helix	trans	-72	-41.4	175.6	-172.2	73.5	0	0	0	112.1	S613 K614 K615 A620 L621	S613-H617 WeakPolarHBondContact O-CB 3.31Å; S613-H617 PolarHBondContact O-N 2.95Å; K614-H617 PolarHBondContact O-N 3.34Å; K614-H617 VanDerWaalsContact O-N 3.16Å; K615-H617 VanDerWaalsContact C-N 3.28Å; K615-H617 PolarHBondContact O-N 3.46Å; H617-A620 PolarHBondContact O-N 2.95Å; H617-L621 WeakPolarHBondContact O-CB 3.44Å; H617-L621 PolarHBondContact O-N 3.05Å
618	E	57.9	Low	55.8	Low	119 Å²	119	82.8 Å²	82.8	56%	0.556	44%	0.444	S	S	*	.	H	α-helix	trans	-62	-42.7	173.8	-74.5	171.3	-176.7	0	0	111.5	K614 K615 L621 I622	K614-E618 WeakPolarHBondContact O-CG 3.29Å; K614-E618 PolarHBondContact O-N 3.24Å; K615-E618 PolarHBondContact O-N 3.34Å; E618-L621 PolarHBondContact O-N 2.89Å; E618-I622 VanDerWaalsContact O-CG1 3.29Å; E618-I622 WeakPolarHBondContact O-CG1 3.21Å; E618-I622 PolarHBondContact O-N 3.48Å
619	E	60.3	Low	54.7	Low	100 Å²	100	85.7 Å²	85.7	47%	0.467	45%	0.451	S	S	.	.	H	α-helix	trans	-61.8	-45.6	174.4	-73.9	170.6	-177.3	0	0	111.5	K615 L621 I622 T623	K615-E619 WeakPolarHBondContact CE-OE1 3.43Å; K615-E619 WeakPolarHBondContact O-CB 3.4Å; K615-E619 WeakPolarHBondContact O-CG 3.49Å; K615-E619 PolarHBondContact O-N 2.65Å; E619-L621 VanDerWaalsContact C-N 3.28Å; E619-L621 PolarHBondContact O-N 2.99Å; E619-I622 PolarHBondContact O-N 3.24Å; E619-T623 PolarHBondContact O-N 3.38Å; E619-T623 PolarHBondContact O-OG1 2.86Å
620	A	51.6	Low	54	Low	49 Å²	49	90.5 Å²	90.5	41%	0.405	48%	0.478	S	S	.	.	H	α-helix	trans	-60.5	-37.9	175.9	0	0	0	0	0	112.3	A616 H617 T623 S624	A616-A620 WeakPolarHBondContact O-CB 3.25Å; A616-A620 PolarHBondContact O-N 2.93Å; H617-A620 PolarHBondContact O-N 2.95Å; A620-T623 PolarHBondContact O-N 2.78Å; A620-S624 PolarHBondContact O-N 2.93Å
621	L	51.7	Low	53.2	Low	71 Å²	71	93.4 Å²	93.4	37%	0.372	50%	0.503	S	S	.	.	H	α-helix	trans	-70.3	-35.7	177.7	-168.9	71.9	0	0	0	112.7	H617 E618 E619 S624 K625	H617-L621 WeakPolarHBondContact O-CB 3.44Å; H617-L621 PolarHBondContact O-N 3.05Å; E618-L621 PolarHBondContact O-N 2.89Å; E619-L621 VanDerWaalsContact C-N 3.28Å; E619-L621 PolarHBondContact O-N 2.99Å; L621-S624 WeakPolarHBondContact CA-OG 3.44Å; L621-S624 PolarHBondContact O-OG 3.4Å; L621-K625 PolarHBondContact O-N 3.24Å; L621-K625 VanDerWaalsContact O-N 3.15Å
622	I	60.7	Low	51.7	Low	98 Å²	98	96.2 Å²	96.2	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-65.1	-45.3	172	-67.1	163	0	0	0	109.2	E618 E619 S624 K625 E626	E618-I622 VanDerWaalsContact O-CG1 3.29Å; E618-I622 WeakPolarHBondContact O-CG1 3.21Å; E618-I622 PolarHBondContact O-N 3.48Å; E619-I622 PolarHBondContact O-N 3.24Å; I622-S624 VanDerWaalsContact C-N 3.3Å; I622-S624 PolarHBondContact O-N 3.13Å; I622-K625 WeakPolarHBondContact O-CB 3.5Å; I622-K625 PolarHBondContact O-N 2.99Å; I622-K625 VanDerWaalsContact O-N 3.12Å; I622-E626 PolarHBondContact O-N 3.44Å
623	T	55.3	Low	50.2	Low	69 Å²	69	100.9 Å²	100.9	42%	0.423	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-37.3	179.2	-37.3	0	0	0	0	112	E619 A620 E626 R627	E619-T623 PolarHBondContact O-N 3.38Å; E619-T623 PolarHBondContact O-OG1 2.86Å; A620-T623 PolarHBondContact O-N 2.78Å; T623-E626 PolarHBondContact O-N 2.92Å; T623-R627 PolarHBondContact O-N 2.98Å
624	S	50.5	Low	49.2	Very low	60 Å²	60	105 Å²	105	42%	0.42	56%	0.555	S	S	.	*	H	α-helix	trans	-70.5	-34.6	176.2	66.1	0	0	0	0	112.6	A620 L621 I622 R627	A620-S624 PolarHBondContact O-N 2.93Å; L621-S624 WeakPolarHBondContact CA-OG 3.44Å; L621-S624 PolarHBondContact O-OG 3.4Å; I622-S624 VanDerWaalsContact C-N 3.3Å; I622-S624 PolarHBondContact O-N 3.13Å; S624-R627 PolarHBondContact O-N 2.89Å
625	K	55.6	Low	47.8	Very low	139 Å²	139	103.8 Å²	103.8	60%	0.604	56%	0.557	S	S	*	*	H	α-helix	trans	-66.3	-39.2	173.5	-83	-176.7	175.9	179.5	0	112.3	L621 I622 R627 G628	L621-K625 PolarHBondContact O-N 3.24Å; L621-K625 VanDerWaalsContact O-N 3.15Å; I622-K625 WeakPolarHBondContact O-CB 3.5Å; I622-K625 PolarHBondContact O-N 2.99Å; I622-K625 VanDerWaalsContact O-N 3.12Å; K625-R627 VanDerWaalsContact C-N 3.31Å; K625-R627 PolarHBondContact O-N 2.88Å; K625-G628 PolarHBondContact O-N 3.21Å
626	E	59.4	Low	46.4	Very low	156 Å²	156	101 Å²	101	73%	0.729	55%	0.55	S	S	*	*	H	α-helix	trans	-68	-29.3	178.2	-72.7	-177.9	168.5	0	0	113	I622 T623 G628	I622-E626 PolarHBondContact O-N 3.44Å; T623-E626 PolarHBondContact O-N 2.92Å; E626-G628 PolarHBondContact O-N 3.4Å
627	R	51.7	Low	45.4	Very low	201 Å²	201	102.1 Å²	102.1	76%	0.758	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.3	-3.3	177.2	-90.5	-176.5	-179.3	161.8	2.5	115.2	T623 S624 K625 D629	T623-R627 PolarHBondContact O-N 2.98Å; S624-R627 PolarHBondContact O-N 2.89Å; K625-R627 VanDerWaalsContact C-N 3.31Å; K625-R627 PolarHBondContact O-N 2.88Å; R627-D629 PolarHBondContact O-N 3.45Å
628	G	43.7	Very low	44.4	Very low	47 Å²	47	102.9 Å²	102.9	49%	0.485	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	65.5	23.8	170.9	0	0	0	0	0	114.6	K625 E626 N630	K625-G628 PolarHBondContact O-N 3.21Å; E626-G628 PolarHBondContact O-N 3.4Å; G628-N630 VanDerWaalsContact C-N 3.27Å; G628-N630 PolarHBondContact O-N 3.31Å
629	D	41.4	Very low	43.2	Very low	120 Å²	120	103.1 Å²	103.1	64%	0.642	57%	0.567	S	S	*	*			trans	-70	86.9	171.5	-90.4	-31.2	0	0	0	109.4	R627 S631	R627-D629 PolarHBondContact O-N 3.45Å; D629-S631 PolarHBondContact O-N 3.42Å; D629-S631 VanDerWaalsContact O-N 3.07Å
630	N	39.5	Very low	41.8	Very low	164 Å²	164	101.8 Å²	101.8	88%	0.877	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	18.8	175.8	-79.6	-21.7	0	0	0	113.4	G628	G628-N630 VanDerWaalsContact C-N 3.27Å; G628-N630 PolarHBondContact O-N 3.31Å
631	S	38.6	Very low	40.8	Very low	102 Å²	102	105.1 Å²	105.1	71%	0.713	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-0.9	-177	63.9	0	0	0	0	114.9	D629	D629-S631 PolarHBondContact O-N 3.42Å; D629-S631 VanDerWaalsContact O-N 3.07Å
632	T	35.5	Very low	39.9	Very low	115 Å²	115	108.7 Å²	108.7	71%	0.706	59%	0.586	S	S	*	*	S	Bend	trans	-139	106.5	171	27.1	0	0	0	0	110.7	P634	T632-P634 WeakPolarHBondContact O-CD 3.38Å
633	Q	26	Very low	38.5	Very low	169 Å²	169	111.2 Å²	111.2	79%	0.79	59%	0.594	S	S	*	*			trans	-48.8	120	171.7	-89	175.2	-35.1	0	0	110.6	T635	Q633-T635 PolarHBondContact O-N 2.89Å
634	P	29.7	Very low	37.3	Very low	94 Å²	94	114.1 Å²	114.1	61%	0.61	60%	0.604	S	S	*	*			trans	-85.1	60.1	177.8	34.6	-32.7	0	0	0	109.8	T632	T632-P634 WeakPolarHBondContact O-CD 3.38Å
635	T	29	Very low	36.4	Very low	92 Å²	92	116.8 Å²	116.8	56%	0.564	61%	0.61	S	S	*	*			trans	-79	-27.5	174.2	39.4	0	0	0	0	111.9	Q633 S638	Q633-T635 PolarHBondContact O-N 2.89Å; T635-S638 PolarHBondContact O-OG 3.16Å
636	V	31.8	Very low	35.3	Very low	67 Å²	67	112.9 Å²	112.9	41%	0.406	60%	0.6	S	S	.	*	S	Bend	trans	-83.5	-25.2	-171	-172.6	0	0	0	0	113.9	S638 E639 V640	V636-S638 VanDerWaalsContact C-N 3.3Å; V636-S638 PolarHBondContact O-N 2.93Å; V636-E639 PolarHBondContact O-N 3.43Å; V636-V640 HydrophobicContact CG1-CG2 4.4Å; V636-V640 PolarHBondContact O-N 2.95Å; V636-V640 VanDerWaalsContact O-N 3.16Å
637	V	31.5	Very low	33.9	Very low	58 Å²	58	111.6 Å²	111.6	35%	0.352	60%	0.598	S	S	.	*	H	α-helix	trans	-65.8	-34.4	-178.8	-177.2	0	0	0	0	111.7	E639 V640 M641	V637-E639 PolarHBondContact O-N 3.42Å; V637-V640 PolarHBondContact O-N 3.47Å; V637-M641 HydrophobicContact CG1-CG 4.41Å; V637-M641 WeakPolarHBondContact O-CG 3.29Å; V637-M641 PolarHBondContact O-N 3.26Å
638	S	32.1	Very low	32.8	Very low	71 Å²	71	106.1 Å²	106.1	50%	0.497	59%	0.587	S	S	.	*	H	α-helix	trans	-62.1	-28.2	175.8	80.1	0	0	0	0	112.2	T635 V636 K642	T635-S638 PolarHBondContact O-OG 3.16Å; V636-S638 VanDerWaalsContact C-N 3.3Å; V636-S638 PolarHBondContact O-N 2.93Å; S638-K642 WeakPolarHBondContact O-CB 3.45Å; S638-K642 VanDerWaalsContact O-CG 3.29Å; S638-K642 WeakPolarHBondContact O-CG 3.47Å; S638-K642 PolarHBondContact O-N 3.41Å
639	E	31.2	Very low	32.5	Very low	123 Å²	123	107.6 Å²	107.6	58%	0.575	59%	0.586	S	S	*	*	H	α-helix	trans	-89	-33.6	-174.4	-147.6	155.4	-152.6	0	0	112.2	V636 V637 K642 K643	V636-E639 PolarHBondContact O-N 3.43Å; V637-E639 PolarHBondContact O-N 3.42Å; E639-K642 PolarHBondContact O-N 2.97Å; E639-K643 WeakPolarHBondContact O-CB 3.48Å; E639-K643 PolarHBondContact O-N 2.95Å
640	V	32.3	Very low	32.2	Very low	72 Å²	72	109.3 Å²	109.3	44%	0.436	59%	0.588	S	S	.	*	H	α-helix	trans	-70.6	-40.2	171	-179.4	0	0	0	0	111	V636 V637 K642 K643 M644	V636-V640 HydrophobicContact CG1-CG2 4.4Å; V636-V640 PolarHBondContact O-N 2.95Å; V636-V640 VanDerWaalsContact O-N 3.16Å; V637-V640 PolarHBondContact O-N 3.47Å; V640-K642 VanDerWaalsContact C-N 3.34Å; V640-K643 PolarHBondContact O-N 3.31Å; V640-M644 PolarHBondContact O-N 3.28Å
641	M	29.9	Very low	32.1	Very low	119 Å²	119	104.9 Å²	104.9	59%	0.586	57%	0.57	S	S	*	*	H	α-helix	trans	-63.4	-40.6	171.6	-69.9	-146.4	83.7	0	0	111.4	V637 K643 M644 Q645	V637-M641 HydrophobicContact CG1-CG 4.41Å; V637-M641 WeakPolarHBondContact O-CG 3.29Å; V637-M641 PolarHBondContact O-N 3.26Å; M641-K643 VanDerWaalsContact C-N 3.34Å; M641-K643 PolarHBondContact O-N 2.65Å; M641-M644 PolarHBondContact O-N 2.94Å; M641-Q645 VanDerWaalsContact O-CB 3.31Å; M641-Q645 WeakPolarHBondContact O-CB 3.18Å; M641-Q645 WeakPolarHBondContact O-CG 3.36Å; M641-Q645 PolarHBondContact O-N 3.44Å
642	K	32.5	Very low	32	Very low	146 Å²	146	102.4 Å²	102.4	64%	0.635	56%	0.555	S	S	*	*	H	α-helix	trans	-60.6	-39.8	171.2	-85.4	176.8	177.3	176.9	0	112.4	S638 E639 V640 S646	S638-K642 WeakPolarHBondContact O-CB 3.45Å; S638-K642 VanDerWaalsContact O-CG 3.29Å; S638-K642 WeakPolarHBondContact O-CG 3.47Å; S638-K642 PolarHBondContact O-N 3.41Å; E639-K642 PolarHBondContact O-N 2.97Å; V640-K642 VanDerWaalsContact C-N 3.34Å; K642-S646 WeakPolarHBondContact O-CB 3.27Å; K642-S646 PolarHBondContact O-N 3.22Å
643	K	32.1	Very low	32.6	Very low	151 Å²	151	101.7 Å²	101.7	66%	0.657	55%	0.546	S	S	*	.	H	α-helix	trans	-72.4	-38	178.7	-102.1	167.5	178.9	162.7	0	113.1	E639 V640 M641 S646 L647	E639-K643 WeakPolarHBondContact O-CB 3.48Å; E639-K643 PolarHBondContact O-N 2.95Å; V640-K643 PolarHBondContact O-N 3.31Å; M641-K643 VanDerWaalsContact C-N 3.34Å; M641-K643 PolarHBondContact O-N 2.65Å; K643-S646 WeakPolarHBondContact O-CB 3.41Å; K643-S646 PolarHBondContact O-N 3.05Å; K643-S646 PolarHBondContact O-OG 3.48Å; K643-L647 PolarHBondContact O-N 3.41Å
644	M	30.3	Very low	33.6	Very low	130 Å²	130	99.2 Å²	99.2	64%	0.64	54%	0.538	S	S	*	.	H	α-helix	trans	-69.5	-37.9	172.4	-92.7	-166.2	174.3	0	0	112.1	V640 M641 S646 L647 T648	V640-M644 PolarHBondContact O-N 3.28Å; M641-M644 PolarHBondContact O-N 2.94Å; M644-S646 VanDerWaalsContact C-N 3.29Å; M644-S646 PolarHBondContact O-N 3.49Å; M644-L647 PolarHBondContact O-N 2.94Å; M644-T648 PolarHBondContact O-N 2.89Å
645	Q	30.5	Very low	34.5	Very low	116 Å²	116	100 Å²	100	54%	0.542	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-30.1	170.4	-75.4	-178.6	-20.6	0	0	111.9	M641 L647 T648 V649	M641-Q645 VanDerWaalsContact O-CB 3.31Å; M641-Q645 WeakPolarHBondContact O-CB 3.18Å; M641-Q645 WeakPolarHBondContact O-CG 3.36Å; M641-Q645 PolarHBondContact O-N 3.44Å; Q645-L647 PolarHBondContact O-N 3.31Å; Q645-T648 WeakPolarHBondContact CA-OG1 3.49Å; Q645-T648 PolarHBondContact O-N 3.41Å; Q645-T648 VanDerWaalsContact O-N 3.09Å; Q645-T648 PolarHBondContact O-OG1 2.81Å; Q645-V649 VanDerWaalsContact O-CG2 3.26Å; Q645-V649 WeakPolarHBondContact O-CG2 3.4Å; Q645-V649 PolarHBondContact O-N 3.41Å
646	S	32.7	Very low	35.8	Very low	58 Å²	58	99.8 Å²	99.8	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-63.4	-27.4	174.7	85.4	0	0	0	0	113	K642 K643 M644 K650	K642-S646 WeakPolarHBondContact O-CB 3.27Å; K642-S646 PolarHBondContact O-N 3.22Å; K643-S646 WeakPolarHBondContact O-CB 3.41Å; K643-S646 PolarHBondContact O-N 3.05Å; K643-S646 PolarHBondContact O-OG 3.48Å; M644-S646 VanDerWaalsContact C-N 3.29Å; M644-S646 PolarHBondContact O-N 3.49Å; S646-K650 PolarHBondContact O-N 3.22Å
647	L	30.1	Very low	37	Very low	129 Å²	129	99 Å²	99	68%	0.675	54%	0.536	S	S	*	.	H	α-helix	trans	-73.8	-36	173.3	-97.6	93.4	0	0	0	112.3	K643 M644 Q645	K643-L647 PolarHBondContact O-N 3.41Å; M644-L647 PolarHBondContact O-N 2.94Å; Q645-L647 PolarHBondContact O-N 3.31Å
648	T	29.5	Very low	38.3	Very low	86 Å²	86	99 Å²	99	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-75.4	-29.9	174.6	55.7	0	0	0	0	112	M644 Q645 S651 A652	M644-T648 PolarHBondContact O-N 2.89Å; Q645-T648 WeakPolarHBondContact CA-OG1 3.49Å; Q645-T648 PolarHBondContact O-N 3.41Å; Q645-T648 VanDerWaalsContact O-N 3.09Å; Q645-T648 PolarHBondContact O-OG1 2.81Å; T648-S651 WeakPolarHBondContact CA-OG 3.46Å; T648-S651 PolarHBondContact O-N 3.01Å; T648-S651 PolarHBondContact O-OG 3.44Å; T648-A652 PolarHBondContact O-N 3.19Å
649	V	35.5	Very low	39.9	Very low	77 Å²	77	99.9 Å²	99.9	47%	0.467	54%	0.54	S	S	.	.	H	α-helix	trans	-65.9	-38.1	174.3	173.3	0	0	0	0	111.6	Q645 S651 A652 I653	Q645-V649 VanDerWaalsContact O-CG2 3.26Å; Q645-V649 WeakPolarHBondContact O-CG2 3.4Å; Q645-V649 PolarHBondContact O-N 3.41Å; V649-S651 VanDerWaalsContact C-N 3.33Å; V649-S651 PolarHBondContact O-N 3.27Å; V649-A652 WeakPolarHBondContact O-CB 3.5Å; V649-A652 PolarHBondContact O-N 2.91Å; V649-A652 VanDerWaalsContact O-N 3.1Å; V649-I653 HydrophobicContact CG1-CD1 3.84Å; V649-I653 HydrophobicContact CG1-CG1 4.21Å; V649-I653 VanDerWaalsContact O-CG1 3.32Å; V649-I653 WeakPolarHBondContact O-CG1 3.45Å; V649-I653 PolarHBondContact O-N 3.07Å
650	K	36.2	Very low	41.2	Very low	156 Å²	156	97.2 Å²	97.2	68%	0.678	53%	0.534	S	S	*	.	H	α-helix	trans	-62	-38.4	173.2	-89.9	-175.8	176.6	-180	0	112.8	S646 A652 N654	S646-K650 PolarHBondContact O-N 3.22Å; K650-A652 VanDerWaalsContact C-N 3.34Å; K650-N654 PolarHBondContact O-N 3.22Å; K650-N654 VanDerWaalsContact O-N 3.16Å
651	S	37.5	Very low	42.8	Very low	72 Å²	72	98.1 Å²	98.1	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-66.5	-35.7	172.2	48.1	0	0	0	0	112.7	T648 V649 L655	T648-S651 WeakPolarHBondContact CA-OG 3.46Å; T648-S651 PolarHBondContact O-N 3.01Å; T648-S651 PolarHBondContact O-OG 3.44Å; V649-S651 VanDerWaalsContact C-N 3.33Å; V649-S651 PolarHBondContact O-N 3.27Å; S651-L655 PolarHBondContact O-N 3.3Å
652	A	36.9	Very low	44.5	Very low	50 Å²	50	98.8 Å²	98.8	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-68.4	-40.9	176.1	0	0	0	0	0	112.3	T648 V649 K650 N654 L655 V656	T648-A652 PolarHBondContact O-N 3.19Å; V649-A652 WeakPolarHBondContact O-CB 3.5Å; V649-A652 PolarHBondContact O-N 2.91Å; V649-A652 VanDerWaalsContact O-N 3.1Å; K650-A652 VanDerWaalsContact C-N 3.34Å; A652-N654 VanDerWaalsContact C-N 3.34Å; A652-N654 PolarHBondContact O-N 3.45Å; A652-L655 WeakPolarHBondContact O-CB 3.48Å; A652-L655 PolarHBondContact O-N 3.23Å; A652-L655 VanDerWaalsContact O-N 3.16Å; A652-V656 WeakPolarHBondContact O-CG2 3.5Å; A652-V656 PolarHBondContact O-N 3.46Å
653	I	48	Very low	46.2	Very low	100 Å²	100	96.5 Å²	96.5	51%	0.513	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-44	176.2	-68	165.6	0	0	0	110.5	V649 L655 V656 A657	V649-I653 HydrophobicContact CG1-CD1 3.84Å; V649-I653 HydrophobicContact CG1-CG1 4.21Å; V649-I653 VanDerWaalsContact O-CG1 3.32Å; V649-I653 WeakPolarHBondContact O-CG1 3.45Å; V649-I653 PolarHBondContact O-N 3.07Å; I653-L655 VanDerWaalsContact C-N 3.3Å; I653-L655 PolarHBondContact O-N 3.13Å; I653-V656 PolarHBondContact O-N 2.88Å; I653-A657 WeakPolarHBondContact O-CB 3.26Å; I653-A657 PolarHBondContact O-N 2.95Å
654	N	47	Very low	47.7	Very low	116 Å²	116	93.1 Å²	93.1	62%	0.62	53%	0.531	S	S	*	.	H	α-helix	trans	-64.9	-34.9	176.7	-72.3	-9.8	0	0	0	112.2	K650 A652 A658	K650-N654 PolarHBondContact O-N 3.22Å; K650-N654 VanDerWaalsContact O-N 3.16Å; A652-N654 VanDerWaalsContact C-N 3.34Å; A652-N654 PolarHBondContact O-N 3.45Å; N654-A658 WeakPolarHBondContact O-CB 3.24Å; N654-A658 PolarHBondContact O-N 2.92Å
655	L	48.3	Very low	49.6	Very low	111 Å²	111	93.1 Å²	93.1	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-67.5	-44.1	174.9	-172.3	68.8	0	0	0	111.6	S651 A652 I653 A658 I659	S651-L655 PolarHBondContact O-N 3.3Å; A652-L655 WeakPolarHBondContact O-CB 3.48Å; A652-L655 PolarHBondContact O-N 3.23Å; A652-L655 VanDerWaalsContact O-N 3.16Å; I653-L655 VanDerWaalsContact C-N 3.3Å; I653-L655 PolarHBondContact O-N 3.13Å; L655-A658 PolarHBondContact O-N 3.25Å; L655-I659 HydrophobicContact CG-CD1 4.11Å; L655-I659 VanDerWaalsContact O-CG1 3.27Å; L655-I659 WeakPolarHBondContact O-CG1 3.27Å; L655-I659 PolarHBondContact O-N 3.35Å
656	V	56.3	Low	51.6	Low	88 Å²	88	90.8 Å²	90.8	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-44.3	177.1	174.5	0	0	0	0	110.8	A652 I653 A658 I659 C660	A652-V656 WeakPolarHBondContact O-CG2 3.5Å; A652-V656 PolarHBondContact O-N 3.46Å; I653-V656 PolarHBondContact O-N 2.88Å; V656-A658 VanDerWaalsContact C-N 3.31Å; V656-A658 PolarHBondContact O-N 2.92Å; V656-I659 PolarHBondContact O-N 3.38Å; V656-C660 PolarHBondContact O-N 3.3Å; V656-C660 PolarHBondContact O-SG 3.34Å
657	A	55.7	Low	53.1	Low	51 Å²	51	92.2 Å²	92.2	42%	0.421	52%	0.524	S	S	.	.	H	α-helix	trans	-60.3	-41.1	175.7	0	0	0	0	0	111.9	I653 C660 C661	I653-A657 WeakPolarHBondContact O-CB 3.26Å; I653-A657 PolarHBondContact O-N 2.95Å; A657-C660 PolarHBondContact O-N 3.23Å; A657-C661 WeakPolarHBondContact O-CB 3.29Å; A657-C661 PolarHBondContact O-N 3.32Å; A657-C661 PolarHBondContact O-SG 3.34Å; A657-C661 VanDerWaalsContact O-SG 3.42Å
658	A	59.2	Low	54.7	Low	58 Å²	58	89.7 Å²	89.7	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-41.5	175.6	0	0	0	0	0	112.4	N654 L655 V656 C661 F662	N654-A658 WeakPolarHBondContact O-CB 3.24Å; N654-A658 PolarHBondContact O-N 2.92Å; L655-A658 PolarHBondContact O-N 3.25Å; V656-A658 VanDerWaalsContact C-N 3.31Å; V656-A658 PolarHBondContact O-N 2.92Å; A658-C661 PolarHBondContact O-N 3.39Å; A658-F662 WeakPolarHBondContact O-CB 3.32Å; A658-F662 PolarHBondContact O-N 2.96Å
659	I	65.7	Low	56.6	Low	89 Å²	89	89.6 Å²	89.6	46%	0.456	51%	0.51	S	S	.	.	H	α-helix	trans	-64.6	-43.5	176.1	-66.9	164.4	0	0	0	110.6	L655 V656 F662 L663	L655-I659 HydrophobicContact CG-CD1 4.11Å; L655-I659 VanDerWaalsContact O-CG1 3.27Å; L655-I659 WeakPolarHBondContact O-CG1 3.27Å; L655-I659 PolarHBondContact O-N 3.35Å; V656-I659 PolarHBondContact O-N 3.38Å; I659-F662 PolarHBondContact O-N 2.99Å; I659-L663 HydrophobicContact CG2-CD1 3.95Å; I659-L663 HydrophobicContact CG2-CG 4.39Å; I659-L663 WeakPolarHBondContact O-CG 3.43Å; I659-L663 PolarHBondContact O-N 3.5Å
660	C	59.1	Low	58.3	Low	66 Å²	66	91.1 Å²	91.1	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-43.4	176.3	-74.7	0	0	0	0	112.2	V656 A657 F662 L663 C664	V656-C660 PolarHBondContact O-N 3.3Å; V656-C660 PolarHBondContact O-SG 3.34Å; A657-C660 PolarHBondContact O-N 3.23Å; C660-F662 VanDerWaalsContact C-N 3.32Å; C660-F662 PolarHBondContact O-N 3.36Å; C660-L663 PolarHBondContact O-N 2.92Å; C660-C664 WeakPolarHBondContact O-CB 3.4Å; C660-C664 PolarHBondContact O-N 3.17Å; C660-C664 PolarHBondContact O-SG 2.99Å
661	C	65.4	Low	59.3	Low	91 Å²	91	88.6 Å²	88.6	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-61.6	-40.7	173.9	-76	0	0	0	0	111.8	A657 A658 C664 F665	A657-C661 WeakPolarHBondContact O-CB 3.29Å; A657-C661 PolarHBondContact O-N 3.32Å; A657-C661 PolarHBondContact O-SG 3.34Å; A657-C661 VanDerWaalsContact O-SG 3.42Å; A658-C661 PolarHBondContact O-N 3.39Å; C661-C664 PolarHBondContact O-N 2.99Å; C661-F665 WeakPolarHBondContact O-CB 3.44Å; C661-F665 PolarHBondContact O-N 3.17Å
662	F	65.7	Low	60.4	Low	134 Å²	134	92.1 Å²	92.1	59%	0.588	53%	0.528	S	S	*	.	H	α-helix	trans	-67.1	-41.5	178.8	-163.6	-102.5	0	0	0	112.2	A658 I659 C660 F665 I666	A658-F662 WeakPolarHBondContact O-CB 3.32Å; A658-F662 PolarHBondContact O-N 2.96Å; I659-F662 PolarHBondContact O-N 2.99Å; C660-F662 VanDerWaalsContact C-N 3.32Å; C660-F662 PolarHBondContact O-N 3.36Å; F662-F665 WeakPolarHBondContact O-CB 3.5Å; F662-F665 PolarHBondContact O-N 3.37Å; F662-I666 HydrophobicContact CD1-CD1 3.78Å; F662-I666 HydrophobicContact CD1-CG1 4.42Å; F662-I666 HydrophobicContact CE1-CD1 3.6Å; F662-I666 HydrophobicContact CE1-CG1 4.31Å; F662-I666 HydrophobicContact CZ-CD1 4.49Å; F662-I666 WeakPolarHBondContact O-CG1 3.38Å; F662-I666 PolarHBondContact O-N 3.16Å
663	L	69.2	Low	61	Low	97 Å²	97	102.9 Å²	102.9	51%	0.508	56%	0.558	S	S	.	*	H	α-helix	trans	-65	-42.4	174.6	-72	170.4	0	0	0	111.7	I659 C660 F665 I666 V667	I659-L663 HydrophobicContact CG2-CD1 3.95Å; I659-L663 HydrophobicContact CG2-CG 4.39Å; I659-L663 WeakPolarHBondContact O-CG 3.43Å; I659-L663 PolarHBondContact O-N 3.5Å; C660-L663 PolarHBondContact O-N 2.92Å; L663-F665 VanDerWaalsContact C-N 3.29Å; L663-F665 PolarHBondContact O-N 3.42Å; L663-I666 PolarHBondContact O-N 3.4Å; L663-V667 WeakPolarHBondContact O-CG2 3.36Å; L663-V667 PolarHBondContact O-N 3.47Å
664	C	63	Low	61.7	Low	81 Å²	81	103 Å²	103	55%	0.547	56%	0.56	S	S	.	*	H	α-helix	trans	-59.7	-42	173.5	-71.6	0	0	0	0	111.2	C660 C661 V667 T668	C660-C664 WeakPolarHBondContact O-CB 3.4Å; C660-C664 PolarHBondContact O-N 3.17Å; C660-C664 PolarHBondContact O-SG 2.99Å; C661-C664 PolarHBondContact O-N 2.99Å; C664-V667 PolarHBondContact O-N 3.34Å; C664-T668 PolarHBondContact O-N 3.24Å; C664-T668 PolarHBondContact O-OG1 3.26Å
665	F	70.3	Confident	62.4	Low	130 Å²	130	102.3 Å²	102.3	57%	0.57	56%	0.557	S	S	*	*	H	α-helix	trans	-62.7	-42.6	176.9	-169.7	-105	0	0	0	112.2	C661 F662 L663 T668 I669	C661-F665 WeakPolarHBondContact O-CB 3.44Å; C661-F665 PolarHBondContact O-N 3.17Å; F662-F665 WeakPolarHBondContact O-CB 3.5Å; F662-F665 PolarHBondContact O-N 3.37Å; L663-F665 VanDerWaalsContact C-N 3.29Å; L663-F665 PolarHBondContact O-N 3.42Å; F665-T668 PolarHBondContact O-N 3.49Å; F665-I669 HydrophobicContact CD1-CD1 3.75Å; F665-I669 HydrophobicContact CE1-CD1 3.39Å; F665-I669 HydrophobicContact CE1-CG1 4.33Å; F665-I669 HydrophobicContact CZ-CD1 3.98Å; F665-I669 WeakPolarHBondContact O-CG1 3.49Å; F665-I669 PolarHBondContact O-N 3.35Å
666	I	72.6	Confident	63.2	Low	67 Å²	67	101.8 Å²	101.8	34%	0.344	56%	0.555	S	S	.	*	H	α-helix	trans	-61.8	-46.7	174.6	-70.4	173.9	0	0	0	111.4	F662 L663 T668 I669 I670	F662-I666 HydrophobicContact CD1-CD1 3.78Å; F662-I666 HydrophobicContact CD1-CG1 4.42Å; F662-I666 HydrophobicContact CE1-CD1 3.6Å; F662-I666 HydrophobicContact CE1-CG1 4.31Å; F662-I666 HydrophobicContact CZ-CD1 4.49Å; F662-I666 WeakPolarHBondContact O-CG1 3.38Å; F662-I666 PolarHBondContact O-N 3.16Å; L663-I666 PolarHBondContact O-N 3.4Å; I666-T668 VanDerWaalsContact C-N 3.27Å; I666-T668 PolarHBondContact O-N 3.25Å; I666-I669 PolarHBondContact O-N 2.8Å; I666-I670 HydrophobicContact CG2-CD1 3.74Å; I666-I670 HydrophobicContact CG2-CG1 4.37Å; I666-I670 WeakPolarHBondContact O-CG1 3.43Å; I666-I670 PolarHBondContact O-N 3.38Å
667	V	64.1	Low	63.6	Low	87 Å²	87	102.6 Å²	102.6	53%	0.527	56%	0.557	S	S	.	*	H	α-helix	trans	-60.6	-40.4	177.9	173	0	0	0	0	110.7	L663 C664 I669 I670 C671	L663-V667 WeakPolarHBondContact O-CG2 3.36Å; L663-V667 PolarHBondContact O-N 3.47Å; C664-V667 PolarHBondContact O-N 3.34Å; V667-I669 VanDerWaalsContact C-N 3.35Å; V667-I669 PolarHBondContact O-N 3.23Å; V667-I670 PolarHBondContact O-N 3.23Å; V667-C671 PolarHBondContact O-N 3.01Å; V667-C671 PolarHBondContact O-SG 3.11Å
668	T	63.1	Low	64.1	Low	77 Å²	77	105.9 Å²	105.9	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-63.4	-41.1	177.1	-43	0	0	0	0	111.4	C664 F665 I666 C671 L672	C664-T668 PolarHBondContact O-N 3.24Å; C664-T668 PolarHBondContact O-OG1 3.26Å; F665-T668 PolarHBondContact O-N 3.49Å; I666-T668 VanDerWaalsContact C-N 3.27Å; I666-T668 PolarHBondContact O-N 3.25Å; T668-C671 PolarHBondContact O-N 3.15Å; T668-L672 HydrophobicContact CG2-CD1 4.15Å; T668-L672 WeakPolarHBondContact O-CB 3.34Å; T668-L672 WeakPolarHBondContact O-CD1 3.46Å; T668-L672 WeakPolarHBondContact O-CG 3.49Å; T668-L672 PolarHBondContact O-N 2.94Å
669	I	70.3	Confident	64.5	Low	83 Å²	83	109.1 Å²	109.1	43%	0.426	57%	0.571	S	S	.	*	H	α-helix	trans	-64.3	-41.5	174.8	-71	173.8	0	0	0	111.3	F665 I666 V667 C671 L672 R673	F665-I669 HydrophobicContact CD1-CD1 3.75Å; F665-I669 HydrophobicContact CE1-CD1 3.39Å; F665-I669 HydrophobicContact CE1-CG1 4.33Å; F665-I669 HydrophobicContact CZ-CD1 3.98Å; F665-I669 WeakPolarHBondContact O-CG1 3.49Å; F665-I669 PolarHBondContact O-N 3.35Å; I666-I669 PolarHBondContact O-N 2.8Å; V667-I669 VanDerWaalsContact C-N 3.35Å; V667-I669 PolarHBondContact O-N 3.23Å; I669-C671 VanDerWaalsContact C-N 3.32Å; I669-C671 PolarHBondContact O-N 3.45Å; I669-L672 PolarHBondContact O-N 3.15Å; I669-R673 WeakPolarHBondContact O-CB 3.34Å; I669-R673 PolarHBondContact O-N 3.48Å
670	I	71.7	Confident	64.4	Low	110 Å²	110	110.5 Å²	110.5	56%	0.564	58%	0.579	S	S	*	*	H	α-helix	trans	-65.4	-36.7	177.9	-66.1	167.2	0	0	0	110.9	I666 V667	I666-I670 HydrophobicContact CG2-CD1 3.74Å; I666-I670 HydrophobicContact CG2-CG1 4.37Å; I666-I670 WeakPolarHBondContact O-CG1 3.43Å; I666-I670 PolarHBondContact O-N 3.38Å; V667-I670 PolarHBondContact O-N 3.23Å
671	C	57.1	Low	64.8	Low	103 Å²	103	113.9 Å²	113.9	70%	0.696	59%	0.589	S	S	*	*	H	α-helix	trans	-75.6	-26.1	176.7	-71.4	0	0	0	0	114.1	V667 T668 I669 R673	V667-C671 PolarHBondContact O-N 3.01Å; V667-C671 PolarHBondContact O-SG 3.11Å; T668-C671 PolarHBondContact O-N 3.15Å; I669-C671 VanDerWaalsContact C-N 3.32Å; I669-C671 PolarHBondContact O-N 3.45Å; C671-R673 VanDerWaalsContact C-N 3.29Å
672	L	60.5	Low	64.7	Low	146 Å²	146	115.8 Å²	115.8	76%	0.764	59%	0.587	S	S	*	*	H	α-helix	trans	-78	-16.3	174.9	-81.8	161.9	0	0	0	112.9	T668 I669	T668-L672 HydrophobicContact CG2-CD1 4.15Å; T668-L672 WeakPolarHBondContact O-CB 3.34Å; T668-L672 WeakPolarHBondContact O-CD1 3.46Å; T668-L672 WeakPolarHBondContact O-CG 3.49Å; T668-L672 PolarHBondContact O-N 2.94Å; I669-L672 PolarHBondContact O-N 3.15Å
673	R	49.1	Very low	64.6	Low	275 Å²	275	114.2 Å²	114.2	100%	1.038	59%	0.587	S	S	*	*			trans	-99.2	0	-179.7	-146.9	-178.5	-165.8	173.1	3.4	110.2	I669 C671	I669-R673 WeakPolarHBondContact O-CB 3.34Å; I669-R673 PolarHBondContact O-N 3.48Å; C671-R673 VanDerWaalsContact C-N 3.29Å

Retrieved 673 of 673 residues in 425.5 ms (Link to these results)

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