A0A077YZQ2_TRITR Loading...

Y phosphatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 348 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	25.4	Very low	30.9	Very low	204 Å²	204	149.6 Å²	149.6	100%	1.005	85%	0.846	S	S	*	*				0	107.9	0	-71.9	170	172.5	0	0	108
2	R	21.6	Very low	31.3	Very low	249 Å²	249	149 Å²	149	94%	0.94	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-103.4	137.1	163.2	-73.8	-177.7	175.5	177.2	-2	106.5
3	F	27.1	Very low	31.6	Very low	208 Å²	208	147.2 Å²	147.2	91%	0.912	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-92.8	142.5	162.8	-82.1	-84	0	0	0	108.1
4	A	30.3	Very low	31.8	Very low	100 Å²	100	141.3 Å²	141.3	83%	0.826	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.1	154.4	-161.2	0	0	0	0	0	114.5
5	D	26.8	Very low	32	Very low	164 Å²	164	141.9 Å²	141.9	88%	0.877	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-72.2	157.4	165.1	-69.9	-58.5	0	0	0	112.2
6	A	33.6	Very low	32	Very low	93 Å²	93	146 Å²	146	77%	0.769	83%	0.833	S	S	*	*			trans	-140.3	127.7	147.2	0	0	0	0	0	105.6
7	S	31.8	Very low	32.2	Very low	110 Å²	110	149.4 Å²	149.4	77%	0.769	84%	0.836	S	S	*	*			cis	152.7	107.8	-4.5	43.3	0	0	0	0	104.3
8	S	35.3	Very low	32.1	Very low	124 Å²	124	152.9 Å²	152.9	87%	0.867	84%	0.841	S	S	*	*			trans	-168.3	112.2	156	57.5	0	0	0	0	110.2
9	T	33.1	Very low	31.9	Very low	135 Å²	135	155.5 Å²	155.5	83%	0.828	84%	0.843	S	S	*	*			trans	-114	-175.9	171.6	50.4	0	0	0	0	108.4
10	P	40.8	Very low	31.8	Very low	114 Å²	114	154.4 Å²	154.4	74%	0.74	84%	0.842	S	S	*	*			cis	-110.4	-141	-13.5	29.2	-5.5	0	0	0	108.4
11	N	34.3	Very low	31.7	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	84%	0.841	S	S	*	*			cis	-158.5	147.9	-4.9	-152.6	13.1	0	0	0	110
12	D	35.1	Very low	31.8	Very low	142 Å²	142	152 Å²	152	76%	0.759	83%	0.826	S	S	*	*				-179.9	170.5	124.1	-150.7	-10.9	0	0	0	110.6
13	T	35.1	Very low	32.3	Very low	126 Å²	126	150.1 Å²	150.1	77%	0.773	82%	0.819	S	S	*	*			trans	-101.2	162.4	-163.6	58.4	0	0	0	0	113
14	G	34.5	Very low	32.6	Very low	64 Å²	64	144 Å²	144	66%	0.66	81%	0.807	S	S	*	*			trans	146.3	90.8	161.7	0	0	0	0	0	119.1
15	T	35.7	Very low	32.7	Very low	150 Å²	150	149.5 Å²	149.5	92%	0.92	81%	0.807	S	S	*	*			trans	63.1	131.6	147.4	60.3	0	0	0	0	122.2
16	K	32	Very low	32.9	Very low	208 Å²	208	150.4 Å²	150.4	90%	0.904	81%	0.808	S	S	*	*			trans	-80.3	131.2	174.3	-63.4	169.1	177.4	170.9	0	112.4
17	K	34.4	Very low	33.1	Very low	203 Å²	203	152.3 Å²	152.3	88%	0.883	81%	0.805	S	S	*	*			trans	-141.4	130.3	147.5	-87.3	-172.4	177.8	172.6	0	111	K19	K17-K19 PolarHBondContact O-N 3.12Å
18	K	31	Very low	33.5	Very low	213 Å²	213	152.4 Å²	152.4	93%	0.926	81%	0.806	S	S	*	*			trans	-60.2	125.4	169	-74.7	175.6	172.5	177.5	0	109.2
19	K	28.9	Very low	33.7	Very low	203 Å²	203	155.9 Å²	155.9	88%	0.883	81%	0.805	S	S	*	*			trans	-141.1	143.2	155.1	-76.6	-159.3	172.8	-171	0	110.7	K17	K17-K19 PolarHBondContact O-N 3.12Å
20	T	29.4	Very low	34.1	Very low	133 Å²	133	152 Å²	152	82%	0.816	79%	0.787	S	S	*	*			trans	-67.2	161.6	-178.4	37	0	0	0	0	112.5	D22	T20-D22 PolarHBondContact O-N 3.18Å
21	H	29	Very low	34.3	Very low	180 Å²	180	149 Å²	149	83%	0.833	77%	0.768	S	S	*	*			trans	-59.1	106.1	-177.3	-82.1	-83.1	0	0	0	113
22	D	28.6	Very low	34.5	Very low	128 Å²	128	148.4 Å²	148.4	68%	0.684	77%	0.765	S	S	*	*			trans	-103.4	84	177.6	-136.3	-13	0	0	0	109.7	T20 A24	T20-D22 PolarHBondContact O-N 3.18Å; D22-A24 PolarHBondContact O-N 3.47Å
23	W	31.8	Very low	34.6	Very low	209 Å²	209	143.7 Å²	143.7	79%	0.792	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-7.3	-177.9	-92.8	79.8	0	0	0	113.9
24	A	32.7	Very low	35	Very low	81 Å²	81	140.8 Å²	140.8	67%	0.669	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-7.6	-168.7	0	0	0	0	0	115.8	D22	D22-A24 PolarHBondContact O-N 3.47Å
25	R	31.6	Very low	35.3	Very low	215 Å²	215	146.9 Å²	146.9	81%	0.811	73%	0.727	S	S	*	*	S	Bend	trans	-106.9	8.7	-161.6	-135.7	173.9	-176.3	-172.3	-0.5	117.6
26	M	31.8	Very low	35.5	Very low	182 Å²	182	145.8 Å²	145.8	90%	0.897	71%	0.714	S	S	*	*	S	Bend	trans	-100.4	2.9	-179.8	-66.8	-173.8	72.2	0	0	115.3	S28	M26-S28 PolarHBondContact O-N 2.96Å
27	N	38.2	Very low	36.1	Very low	134 Å²	134	139.9 Å²	139.9	72%	0.717	69%	0.692	S	S	*	*			trans	-84.2	5.1	-175.3	-77.4	-11.2	0	0	0	116	K29 A30	N27-K29 PolarHBondContact O-N 2.81Å; N27-K29 VanDerWaalsContact O-N 3.08Å; N27-A30 PolarHBondContact O-N 3.37Å
28	S	39.7	Very low	36.6	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	1.7	-170.6	61.1	0	0	0	0	116.5	M26	M26-S28 PolarHBondContact O-N 2.96Å
29	K	39.8	Very low	37.4	Very low	197 Å²	197	128 Å²	128	86%	0.857	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.2	12.8	174.8	-68.8	-172	176.7	-177.9	0	114	N27	N27-K29 PolarHBondContact O-N 2.81Å; N27-K29 VanDerWaalsContact O-N 3.08Å
30	A	42.2	Very low	38.9	Very low	54 Å²	54	123 Å²	123	45%	0.446	64%	0.644	S	S	.	*			trans	-65	140.3	169.4	0	0	0	0	0	110	N27	N27-A30 PolarHBondContact O-N 3.37Å
31	S	43.2	Very low	40.8	Very low	49 Å²	49	118.5 Å²	118.5	34%	0.343	62%	0.618	S	S	.	*			trans	-79.2	163.3	-145.9	84.2	0	0	0	0	115.3	V33 Q34	S31-V33 PolarHBondContact O-N 3.49Å; S31-V33 WeakPolarHBondContact OG-CB 3.48Å; S31-V33 PolarHBondContact OG-N 3.38Å; S31-Q34 PolarHBondContact O-N 2.95Å
32	L	38.6	Very low	42.6	Very low	134 Å²	134	111.1 Å²	111.1	70%	0.702	59%	0.585	S	S	*	*	H	α-helix	trans	-49.6	-23.1	173.2	-167.8	70.3	0	0	0	113.5	K35 I36	L32-K35 PolarHBondContact O-N 3.29Å; L32-I36 HydrophobicContact CG-CD1 4.12Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å
33	V	38.9	Very low	44.8	Very low	42 Å²	42	105.7 Å²	105.7	26%	0.255	56%	0.555	S	S	.	*	H	α-helix	trans	-67.5	-39.7	178.7	-176.7	0	0	0	0	112.4	S31 K35 I36 L37 V214	S31-V33 PolarHBondContact O-N 3.49Å; S31-V33 WeakPolarHBondContact OG-CB 3.48Å; S31-V33 PolarHBondContact OG-N 3.38Å; V33-K35 PolarHBondContact O-N 3.19Å; V33-I36 PolarHBondContact O-N 3.34Å; V33-I36 VanDerWaalsContact O-N 3.07Å; V33-L37 HydrophobicContact CG1-CD1 3.91Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 PolarHBondContact O-N 3.17Å; V33-L37 VanDerWaalsContact O-N 3.09Å; V33-V214 VanDerWaalsContact CG1-O 3.27Å; V33-V214 WeakPolarHBondContact CG1-O 3.22Å
34	Q	42.6	Very low	47.1	Very low	66 Å²	66	98 Å²	98	31%	0.308	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-33.5	178.3	-74.2	-176.6	-22.4	0	0	112	S31 G38	S31-Q34 PolarHBondContact O-N 2.95Å; Q34-G38 PolarHBondContact O-N 3.44Å
35	K	41.1	Very low	49.4	Very low	192 Å²	192	97.7 Å²	97.7	84%	0.835	52%	0.521	S	S	*	.	H	α-helix	trans	-75.8	-19.7	176.6	-74.1	-170.4	174.7	-174.4	0	114.6	L32 V33	L32-K35 PolarHBondContact O-N 3.29Å; V33-K35 PolarHBondContact O-N 3.19Å
36	I	39.5	Very low	52	Low	126 Å²	126	94.4 Å²	94.4	65%	0.646	52%	0.52	S	S	*	.	H	α-helix	trans	-98.2	-35.9	-175.1	-67.7	171.2	0	0	0	111.7	L32 V33	L32-I36 HydrophobicContact CG-CD1 4.12Å; L32-I36 WeakPolarHBondContact O-CG1 3.49Å; V33-I36 PolarHBondContact O-N 3.34Å; V33-I36 VanDerWaalsContact O-N 3.07Å
37	L	45.1	Very low	54.6	Low	85 Å²	85	86.9 Å²	86.9	45%	0.445	48%	0.482	S	S	.	.	H	α-helix	trans	-99.5	-13.8	-176.7	-62.5	179.1	0	0	0	114.1	V33 W39 V214	V33-L37 HydrophobicContact CG1-CD1 3.91Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 PolarHBondContact O-N 3.17Å; V33-L37 VanDerWaalsContact O-N 3.09Å; L37-W39 HydrophobicContact CB-CB 4.46Å; L37-W39 HydrophobicContact CB-CD2 4.39Å; L37-W39 HydrophobicContact CB-CG 3.92Å; L37-W39 HydrophobicContact CD1-CD2 4.47Å; L37-W39 PolarHBondContact O-N 3.01Å; L37-V214 HydrophobicContact CD1-CG1 4.13Å
38	G	44.7	Very low	57.1	Low	64 Å²	64	87.2 Å²	87.2	66%	0.66	47%	0.474	S	S	*	.			trans	66	20.8	-176.2	0	0	0	0	0	113.6	Q34 P40	Q34-G38 PolarHBondContact O-N 3.44Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å
39	W	48.1	Very low	59.5	Low	102 Å²	102	83 Å²	83	39%	0.386	45%	0.446	S	S	.	.			trans	-80.2	122.3	-174.7	-77.8	16.8	0	0	0	110.7	L37 V214	L37-W39 HydrophobicContact CB-CB 4.46Å; L37-W39 HydrophobicContact CB-CD2 4.39Å; L37-W39 HydrophobicContact CB-CG 3.92Å; L37-W39 HydrophobicContact CD1-CD2 4.47Å; L37-W39 PolarHBondContact O-N 3.01Å; W39-V214 HydrophobicContact CE3-CG1 3.88Å; W39-V214 HydrophobicContact CH2-CB 4.49Å; W39-V214 HydrophobicContact CH2-CG1 3.52Å; W39-V214 HydrophobicContact CZ2-CG1 4.29Å; W39-V214 HydrophobicContact CZ3-CB 4.04Å; W39-V214 HydrophobicContact CZ3-CG1 3.27Å
40	P	60	Low	62	Low	98 Å²	98	75.1 Å²	75.1	64%	0.636	42%	0.415	S	S	*	.			trans	-67.4	164.5	168.2	30.3	-34.4	0	0	0	110.4	G38 R253	G38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-R253 PolarHBondContact O-NH1 3.24Å
41	S	68.7	Low	64.4	Low	39 Å²	39	75.4 Å²	75.4	27%	0.273	41%	0.412	S	S	.	.			trans	-27.9	139.9	172.9	175	0	0	0	0	113.9	I43 E217	S41-I43 VanDerWaalsContact CB-O 3.23Å; S41-I43 WeakPolarHBondContact CB-O 3.34Å; S41-I43 PolarHBondContact O-N 3.06Å; S41-I43 PolarHBondContact OG-N 3.12Å; S41-I43 PolarHBondContact OG-O 3.34Å; S41-E217 PolarHBondContact OG-OE2 2.73Å
42	L	68.4	Low	66.6	Low	25 Å²	25	73.5 Å²	73.5	13%	0.131	40%	0.399	C	S	.	.	S	Bend	trans	-65.2	-25.2	177.3	-74.9	175	0	0	0	111.7	D215 E217 L224	L42-D215 HydrophobicContact CD2-CB 4.25Å; L42-D215 HydrophobicContact CG-CB 4.47Å; L42-E217 HydrophobicContact CD1-CB 4.1Å; L42-E217 PolarHBondContact N-OE2 2.9Å; L42-L224 HydrophobicContact CB-CD2 3.47Å; L42-L224 VanDerWaalsContact CB-CD2 3.47Å; L42-L224 HydrophobicContact CD1-CD2 4.1Å; L42-L224 HydrophobicContact CG-CD2 4.45Å
43	I	74.1	Confident	69	Low	13 Å²	13	73 Å²	73	7%	0.067	39%	0.394	C	S	.	.	S	Bend	trans	-103.2	113.1	165.4	-51.9	-173.2	0	0	0	108.5	S41 P45 L224 M242 D245 A246	S41-I43 VanDerWaalsContact CB-O 3.23Å; S41-I43 WeakPolarHBondContact CB-O 3.34Å; S41-I43 PolarHBondContact O-N 3.06Å; S41-I43 PolarHBondContact OG-N 3.12Å; S41-I43 PolarHBondContact OG-O 3.34Å; I43-P45 WeakPolarHBondContact O-CD 3.26Å; I43-L224 HydrophobicContact CD1-CD1 3.87Å; I43-L224 HydrophobicContact CD1-CD2 4.13Å; I43-L224 HydrophobicContact CG1-CD1 4.36Å; I43-L224 HydrophobicContact CG1-CD2 3.67Å; I43-M242 HydrophobicContact CD1-CG 3.68Å; I43-D245 HydrophobicContact CG2-CB 4.4Å; I43-A246 HydrophobicContact CD1-CB 3.82Å; I43-A246 HydrophobicContact CG1-CB 3.79Å
44	D	80.6	Confident	71.4	Confident	47 Å²	47	75 Å²	75	25%	0.251	40%	0.402	S	S	.	.			trans	-72.7	118	167.9	-178.1	-18.6	0	0	0	107.7	D46 I47 S249 R252	D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 PolarHBondContact OD1-N 3.02Å; D44-I47 HydrophobicContact CB-CB 4.11Å; D44-I47 HydrophobicContact CB-CD1 3.54Å; D44-I47 HydrophobicContact CB-CG1 3.76Å; D44-I47 PolarHBondContact O-N 3.49Å; D44-I47 VanDerWaalsContact O-N 3.12Å; D44-I47 VanDerWaalsContact OD2-CD1 3.24Å; D44-I47 WeakPolarHBondContact OD2-CD1 3.35Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.44Å; D44-S249 PolarHBondContact N-OG 3.5Å; D44-S249 VanDerWaalsContact N-OG 3.1Å; D44-R252 IonicContact OD2-NH1 3.44Å; D44-R252 PolarHBondContact OD2-NH1 2.98Å
45	P	79.8	Confident	73.8	Confident	76 Å²	76	72 Å²	72	49%	0.494	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.1	-177.3	29.7	-36.2	0	0	0	113.2	I43 R48	I43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-R48 VanDerWaalsContact O-CZ 3.23Å; P45-R48 PolarHBondContact O-NH2 2.86Å
46	D	86.5	Confident	76	Confident	146 Å²	146	69.4 Å²	69.4	78%	0.781	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.7	178.1	-59.6	-33.9	0	0	0	111.9	D44	D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 PolarHBondContact OD1-N 3.02Å
47	I	86.7	Confident	78.5	Confident	23 Å²	23	65 Å²	65	12%	0.118	36%	0.357	C	S	.	.			trans	-97.5	111.7	172.8	-55.3	170.3	0	0	0	110	D44 A248 R252	D44-I47 HydrophobicContact CB-CB 4.11Å; D44-I47 HydrophobicContact CB-CD1 3.54Å; D44-I47 HydrophobicContact CB-CG1 3.76Å; D44-I47 PolarHBondContact O-N 3.49Å; D44-I47 VanDerWaalsContact O-N 3.12Å; D44-I47 VanDerWaalsContact OD2-CD1 3.24Å; D44-I47 WeakPolarHBondContact OD2-CD1 3.35Å; D44-I47 WeakPolarHBondContact OD2-CG1 3.44Å; I47-A248 HydrophobicContact CG2-CB 3.77Å; I47-R252 HydrophobicContact CD1-CB 4.06Å; I47-R252 HydrophobicContact CD1-CG 4.3Å
48	R	89.9	Confident	80.8	Confident	142 Å²	142	67.5 Å²	67.5	54%	0.536	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-99.3	157.7	168.5	-60.3	-62.2	168.8	-151	-13.9	111.6	P45 D245 A248	P45-R48 VanDerWaalsContact O-CZ 3.23Å; P45-R48 PolarHBondContact O-NH2 2.86Å; R48-D245 WeakPolarHBondContact CA-OD1 3.21Å; R48-D245 WeakPolarHBondContact CD-OD2 3.48Å; R48-D245 IonicContact CZ-OD2 3.66Å; R48-D245 IonicContact NE-OD2 3.79Å; R48-D245 IonicContact NH1-OD2 2.74Å; R48-D245 PolarHBondContact NH1-OD2 3.21Å; R48-A248 WeakPolarHBondContact O-CB 3.5Å
49	A	91.8	Very high	83.2	Confident	24 Å²	24	72.3 Å²	72.3	20%	0.198	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-55.3	136.6	163.2	0	0	0	0	0	110.4	K244 D245	A49-K244 HydrophobicContact CB-CB 3.55Å; A49-D245 PolarHBondContact N-OD1 3.5Å
50	P	92.2	Very high	85.5	Confident	31 Å²	31	67.7 Å²	67.7	20%	0.201	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-58.5	142.3	177.3	18.9	-27.4	0	0	0	110.1	Y55 P262	P50-Y55 HydrophobicContact CB-CE1 4.24Å; P50-Y55 HydrophobicContact CG-CE1 4.06Å; P50-Y55 WeakPolarHBondContact O-CE1 3.43Å; P50-Y55 PolarHBondContact O-OH 2.94Å; P50-P262 HydrophobicContact CB-CB 4.49Å; P50-P262 HydrophobicContact CG-CB 4.14Å; P50-P262 WeakPolarHBondContact CG-O 3.37Å
51	P	91.5	Very high	87.2	Confident	60 Å²	60	65.4 Å²	65.4	39%	0.39	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-61.8	147.2	179	27.1	-34.5	0	0	0	109.8	E53 N54 Y55	P51-E53 PolarHBondContact O-N 2.85Å; P51-E53 VanDerWaalsContact O-N 3.08Å; P51-N54 WeakPolarHBondContact O-CB 3.47Å; P51-N54 PolarHBondContact O-N 3.22Å; P51-Y55 WeakPolarHBondContact O-CE1 3.46Å
52	A	89.1	Confident	88.5	Confident	9 Å²	9	63.7 Å²	63.7	7%	0.074	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-68.5	-10.7	-172.9	0	0	0	0	0	114.1	N54 Y55 Y146 D289 H293	A52-N54 VanDerWaalsContact C-N 3.35Å; A52-Y55 VanDerWaalsContact CA-CE2 3.45Å; A52-Y55 VanDerWaalsContact CA-CZ 3.49Å; A52-Y55 HydrophobicContact CB-CD2 3.88Å; A52-Y55 HydrophobicContact CB-CE2 3.47Å; A52-Y55 VanDerWaalsContact CB-CE2 3.47Å; A52-Y146 HydrophobicContact CB-CD1 4.27Å; A52-Y146 HydrophobicContact CB-CE1 4.06Å; A52-D289 HydrophobicContact CB-CB 4.29Å; A52-H293 HydrophobicContact CB-CB 3.88Å; A52-H293 PolarHBondContact O-CE1 2.85Å; A52-H293 PolarHBondContact O-ND1 3.47Å
53	E	88.9	Confident	89.7	Confident	124 Å²	124	63.1 Å²	63.1	58%	0.579	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-55.8	-46.6	164.9	-61.8	164.4	-93.9	0	0	111.4	P51 Y55 H293	P51-E53 PolarHBondContact O-N 2.85Å; P51-E53 VanDerWaalsContact O-N 3.08Å; E53-Y55 PolarHBondContact O-N 3.42Å; E53-H293 VanDerWaalsContact CA-CE1 3.49Å; E53-H293 WeakPolarHBondContact CA-CE1 3.27Å
54	N	91.1	Very high	90.6	Very high	82 Å²	82	64 Å²	64	44%	0.439	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-80.3	8.8	-174.3	-61.3	-0.6	0	0	0	113.6	P51 A52 H56	P51-N54 WeakPolarHBondContact O-CB 3.47Å; P51-N54 PolarHBondContact O-N 3.22Å; A52-N54 VanDerWaalsContact C-N 3.35Å; N54-H56 VanDerWaalsContact C-CD2 3.46Å; N54-H56 PolarHBondContact O-CD2 2.84Å
55	Y	91.9	Very high	91.1	Very high	4 Å²	4	68 Å²	68	2%	0.016	35%	0.349	C	S	.	.			trans	-88.4	130.1	178.3	-58.1	-8.5	0	0	0	109.1	P50 P51 A52 E53 Y146 K147 H261 K263	P50-Y55 HydrophobicContact CB-CE1 4.24Å; P50-Y55 HydrophobicContact CG-CE1 4.06Å; P50-Y55 WeakPolarHBondContact O-CE1 3.43Å; P50-Y55 PolarHBondContact O-OH 2.94Å; P51-Y55 WeakPolarHBondContact O-CE1 3.46Å; A52-Y55 VanDerWaalsContact CA-CE2 3.45Å; A52-Y55 VanDerWaalsContact CA-CZ 3.49Å; A52-Y55 HydrophobicContact CB-CD2 3.88Å; A52-Y55 HydrophobicContact CB-CE2 3.47Å; A52-Y55 VanDerWaalsContact CB-CE2 3.47Å; E53-Y55 PolarHBondContact O-N 3.42Å; Y55-Y146 HydrophobicContact CD2-CD1 4.02Å; Y55-Y146 HydrophobicContact CE2-CD1 4.43Å; Y55-K147 WeakPolarHBondContact O-CE 3.14Å; Y55-K147 PolarHBondContact O-NZ 3.4Å; Y55-H261 AromaticContact CG-CE1 3.89Å; Y55-K263 HydrophobicContact CD1-CD 4.27Å; Y55-K263 HydrophobicContact CD1-CG 3.88Å; Y55-K263 HydrophobicContact CD2-CD 3.86Å; Y55-K263 HydrophobicContact CD2-CG 4.39Å; Y55-K263 HydrophobicContact CE1-CD 3.9Å; Y55-K263 HydrophobicContact CE1-CG 3.44Å; Y55-K263 VanDerWaalsContact CE1-CG 3.44Å; Y55-K263 HydrophobicContact CE2-CD 3.43Å; Y55-K263 VanDerWaalsContact CE2-CD 3.43Å; Y55-K263 HydrophobicContact CE2-CG 3.99Å; Y55-K263 HydrophobicContact CG-CD 4.28Å; Y55-K263 HydrophobicContact CG-CG 4.36Å; Y55-K263 VanDerWaalsContact CZ-CD 3.47Å
56	H	86.7	Confident	91.6	Very high	138 Å²	138	67.5 Å²	67.5	64%	0.639	34%	0.34	S	S	*	.			trans	-139.2	88.1	-175.1	-59.8	-81	0	0	0	110.2	N54	N54-H56 VanDerWaalsContact C-CD2 3.46Å; N54-H56 PolarHBondContact O-CD2 2.84Å
57	D	93.6	Very high	91.9	Very high	34 Å²	34	60.6 Å²	60.6	18%	0.182	30%	0.303	C	S	.	.			trans	-152.6	99.2	170.5	-171.2	-14.2	0	0	0	110.4	K59 S60 Q63 K147 K149	D57-K59 PolarHBondContact O-N 3.37Å; D57-K59 WeakPolarHBondContact OD1-CA 3.44Å; D57-K59 VanDerWaalsContact OD1-CB 3.24Å; D57-K59 WeakPolarHBondContact OD1-CB 3.38Å; D57-K59 PolarHBondContact OD1-N 3.41Å; D57-S60 PolarHBondContact O-N 3.43Å; D57-Q63 PolarHBondContact O-NE2 3.12Å; D57-K147 VanDerWaalsContact CB-O 3.29Å; D57-K147 WeakPolarHBondContact CB-O 3.43Å; D57-K147 PolarHBondContact N-O 2.89Å; D57-K149 WeakPolarHBondContact OD2-CB 3.37Å; D57-K149 PolarHBondContact OD2-N 3.43Å
58	D	92.5	Very high	92.4	Very high	137 Å²	137	62 Å²	62	73%	0.733	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.4	-179.8	-61	-33.9	0	0	0	112.9	S60 Q63	D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 3Å; D58-Q63 PolarHBondContact O-NE2 3.32Å
59	K	94.6	Very high	92.7	Very high	165 Å²	165	57.3 Å²	57.3	72%	0.717	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.5	176.5	-52.9	177.9	179.7	176	0	112.4	D57 K149	D57-K59 PolarHBondContact O-N 3.37Å; D57-K59 WeakPolarHBondContact OD1-CA 3.44Å; D57-K59 VanDerWaalsContact OD1-CB 3.24Å; D57-K59 WeakPolarHBondContact OD1-CB 3.38Å; D57-K59 PolarHBondContact OD1-N 3.41Å; K59-K149 HydrophobicContact CB-CB 4.45Å; K59-K149 HydrophobicContact CB-CD 3.91Å; K59-K149 HydrophobicContact CB-CG 4.5Å; K59-K149 WeakPolarHBondContact O-CD 3.47Å; K59-K149 PolarHBondContact O-NZ 2.83Å
60	S	96.4	Very high	92.9	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.035	29%	0.29	C	S	.	.	S	Bend	trans	-66.1	136.7	170.5	174.3	0	0	0	0	111.2	D57 D58 H62 Q63 D144 G145	D57-S60 PolarHBondContact O-N 3.43Å; D58-S60 VanDerWaalsContact C-N 3.26Å; D58-S60 PolarHBondContact O-N 3Å; S60-H62 PolarHBondContact O-N 2.79Å; S60-H62 PolarHBondContact OG-N 3.26Å; S60-Q63 WeakPolarHBondContact O-CG 3.21Å; S60-Q63 PolarHBondContact O-NE2 3.07Å; S60-D144 WeakPolarHBondContact CA-OD2 3.36Å; S60-G145 PolarHBondContact OG-O 3.43Å
61	V	95.7	Very high	93.1	Very high	49 Å²	49	58.8 Å²	58.8	30%	0.297	30%	0.301	S	S	.	.	S	Bend	trans	-70	-11.9	170.6	-59.5	0	0	0	0	113.2	D144 K305	V61-D144 HydrophobicContact CG2-CB 4.04Å; V61-D144 PolarHBondContact N-OD2 3.3Å; V61-K305 HydrophobicContact CB-CD 3.96Å; V61-K305 HydrophobicContact CB-CG 4.33Å; V61-K305 HydrophobicContact CG2-CB 3.9Å; V61-K305 HydrophobicContact CG2-CD 3.96Å; V61-K305 HydrophobicContact CG2-CG 4.06Å; V61-K305 WeakPolarHBondContact O-CD 3.48Å; V61-K305 VanDerWaalsContact O-CE 3.24Å; V61-K305 WeakPolarHBondContact O-CE 3.22Å; V61-K305 PolarHBondContact O-NZ 3.48Å
62	H	95.8	Very high	93.3	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.019	30%	0.304	C	S	.	.			trans	-102.5	76.6	-177	-62.9	-71.7	0	0	0	112.1	S60 D144 Y146 K147 I286 K305	S60-H62 PolarHBondContact O-N 2.79Å; S60-H62 PolarHBondContact OG-N 3.26Å; H62-D144 PolarHBondContact CD2-O 3.43Å; H62-Y146 WeakPolarHBondContact O-CA 3.37Å; H62-Y146 VanDerWaalsContact O-CD2 3.28Å; H62-Y146 WeakPolarHBondContact O-CD2 3.49Å; H62-K147 PolarHBondContact O-N 2.6Å; H62-I286 HydrophobicContact CB-CG2 4.09Å; H62-K305 VanDerWaalsContact CE1-CB 3.42Å; H62-K305 WeakPolarHBondContact CE1-CB 3.33Å
63	Q	94.9	Very high	93.7	Very high	13 Å²	13	59.9 Å²	59.9	6%	0.061	30%	0.302	C	S	.	.			trans	-101	155.3	177.4	-55.2	-60.1	-19.3	0	0	113.4	D57 D58 S60 Q65 H66	D57-Q63 PolarHBondContact O-NE2 3.12Å; D58-Q63 PolarHBondContact O-NE2 3.32Å; S60-Q63 WeakPolarHBondContact O-CG 3.21Å; S60-Q63 PolarHBondContact O-NE2 3.07Å; Q63-Q65 VanDerWaalsContact C-N 3.32Å; Q63-Q65 PolarHBondContact O-N 2.92Å; Q63-H66 PolarHBondContact N-ND1 3.35Å; Q63-H66 WeakPolarHBondContact O-CB 3.35Å; Q63-H66 PolarHBondContact O-N 2.96Å; Q63-H66 VanDerWaalsContact O-N 3.16Å; Q63-H66 PolarHBondContact O-ND1 3.06Å
64	P	91.4	Very high	94	Very high	32 Å²	32	57.3 Å²	57.3	21%	0.208	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-51.6	-41.4	-172.9	-23.3	27.9	0	0	0	115.5	H66 G67 Y146 K147 V294	P64-H66 PolarHBondContact O-N 3.13Å; P64-H66 VanDerWaalsContact O-N 3.15Å; P64-G67 PolarHBondContact O-N 3.08Å; P64-G67 VanDerWaalsContact O-N 3.09Å; P64-Y146 HydrophobicContact CG-CE2 4.13Å; P64-Y146 WeakPolarHBondContact CG-OH 3.42Å; P64-K147 HydrophobicContact CG-CD 4.4Å; P64-V294 HydrophobicContact CB-CG1 4.17Å; P64-V294 HydrophobicContact CB-CG2 4.23Å
65	Q	91.5	Very high	94.2	Very high	130 Å²	130	60.1 Å²	60.1	61%	0.607	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22.2	-176.3	65.3	-84.1	28.3	0	0	113.9	Q63 G67	Q63-Q65 VanDerWaalsContact C-N 3.32Å; Q63-Q65 PolarHBondContact O-N 2.92Å; Q65-G67 VanDerWaalsContact C-N 3.28Å; Q65-G67 PolarHBondContact O-N 3.26Å
66	H	90.9	Very high	94.3	Very high	65 Å²	65	65.4 Å²	65.4	30%	0.301	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-76.3	-14.8	178.3	-55.8	109.1	0	0	0	113.8	Q63 P64 N298 E301 K305	Q63-H66 PolarHBondContact N-ND1 3.35Å; Q63-H66 WeakPolarHBondContact O-CB 3.35Å; Q63-H66 PolarHBondContact O-N 2.96Å; Q63-H66 VanDerWaalsContact O-N 3.16Å; Q63-H66 PolarHBondContact O-ND1 3.06Å; P64-H66 PolarHBondContact O-N 3.13Å; P64-H66 VanDerWaalsContact O-N 3.15Å; H66-N298 VanDerWaalsContact O-CB 3.27Å; H66-N298 WeakPolarHBondContact O-CB 3.47Å; H66-N298 PolarHBondContact O-ND2 3.39Å; H66-E301 HydrophobicContact CB-CG 4.39Å; H66-K305 PolarHBondContact CD2-NZ 3.14Å; H66-K305 PolarHBondContact CE1-NZ 3.32Å; H66-K305 VanDerWaalsContact CE1-NZ 3.3Å; H66-K305 VanDerWaalsContact CG-NZ 3.27Å; H66-K305 PolarHBondContact ND1-NZ 3.32Å; H66-K305 PolarHBondContact NE2-NZ 3.44Å
67	G	93.8	Very high	94.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.01	29%	0.292	C	S	.	.	S	Bend	trans	-75.4	153.7	172.8	0	0	0	0	0	111.9	P64 Q65 R296	P64-G67 PolarHBondContact O-N 3.08Å; P64-G67 VanDerWaalsContact O-N 3.09Å; Q65-G67 VanDerWaalsContact C-N 3.28Å; Q65-G67 PolarHBondContact O-N 3.26Å; G67-R296 VanDerWaalsContact O-CZ 3.23Å; G67-R296 PolarHBondContact O-NE 3.18Å; G67-R296 PolarHBondContact O-NH2 2.91Å
68	L	95.8	Very high	94.5	Very high	52 Å²	52	61.7 Å²	61.7	27%	0.272	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.8	164.2	-65.3	173.5	0	0	0	108.9	I70 W73 K76 R296 V297	L68-I70 PolarHBondContact O-N 3.32Å; L68-W73 HydrophobicContact CB-CB 4.08Å; L68-K76 HydrophobicContact CD1-CD 4.02Å; L68-R296 CarbonylContact O-C 3.59Å; L68-R296 WeakPolarHBondContact O-CA 3.37Å; L68-R296 WeakPolarHBondContact O-CB 3.43Å; L68-V297 PolarHBondContact N-O 3.33Å; L68-V297 PolarHBondContact O-N 2.87Å
69	P	96.9	Very high	94.6	Very high	45 Å²	45	62.6 Å²	62.6	29%	0.292	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	135.1	173.3	-24.5	33.3	0	0	0	110.8	I71 N72 W73	P69-I71 PolarHBondContact O-N 3.29Å; P69-I71 VanDerWaalsContact O-N 3.11Å; P69-N72 HydrophobicContact CB-CB 4.36Å; P69-N72 CarbonylContact O-C 3.58Å; P69-N72 WeakPolarHBondContact O-CA 3.39Å; P69-N72 WeakPolarHBondContact O-CB 3.38Å; P69-N72 PolarHBondContact O-N 2.68Å; P69-W73 PolarHBondContact O-N 3.1Å
70	I	96.5	Very high	94.6	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-54.5	-37.7	-169	-175.8	59	0	0	0	113.7	L68 W73 K74 L291 Q295 V297 I327 A331 I337	L68-I70 PolarHBondContact O-N 3.32Å; I70-W73 HydrophobicContact CD1-CE3 3.79Å; I70-W73 HydrophobicContact CD1-CZ3 4.19Å; I70-W73 PolarHBondContact O-N 2.9Å; I70-K74 WeakPolarHBondContact O-CB 3.35Å; I70-K74 PolarHBondContact O-N 3.34Å; I70-L291 HydrophobicContact CB-CD1 4.28Å; I70-L291 HydrophobicContact CD1-CD1 3.81Å; I70-L291 HydrophobicContact CG1-CD1 3.9Å; I70-Q295 WeakPolarHBondContact CB-O 3.28Å; I70-Q295 HydrophobicContact CG2-CB 4.26Å; I70-Q295 WeakPolarHBondContact CG2-O 3.36Å; I70-Q295 PolarHBondContact N-O 2.84Å; I70-V297 HydrophobicContact CD1-CG2 3.65Å; I70-I327 HydrophobicContact CD1-CG2 4.45Å; I70-A331 HydrophobicContact CD1-CB 3.67Å; I70-A331 HydrophobicContact CG1-CB 3.69Å; I70-I337 HydrophobicContact CD1-CD1 4.43Å; I70-I337 HydrophobicContact CG1-CD1 4.18Å; I70-I337 HydrophobicContact CG1-CG1 4.1Å
71	I	95.5	Very high	94.4	Very high	81 Å²	81	57.8 Å²	57.8	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-63.5	-43.4	174.6	-62.9	173.9	0	0	0	111.5	P69 K74 K75	P69-I71 PolarHBondContact O-N 3.29Å; P69-I71 VanDerWaalsContact O-N 3.11Å; I71-K74 PolarHBondContact O-N 2.97Å; I71-K75 HydrophobicContact CG2-CD 4.47Å; I71-K75 WeakPolarHBondContact O-CG 3.45Å; I71-K75 PolarHBondContact O-N 3.34Å
72	N	96.2	Very high	94.3	Very high	87 Å²	87	59.3 Å²	59.3	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-72.1	-38.8	179.7	-68.1	-6.1	0	0	0	111.4	P69 K75 K76	P69-N72 HydrophobicContact CB-CB 4.36Å; P69-N72 CarbonylContact O-C 3.58Å; P69-N72 WeakPolarHBondContact O-CA 3.39Å; P69-N72 WeakPolarHBondContact O-CB 3.38Å; P69-N72 PolarHBondContact O-N 2.68Å; N72-K75 PolarHBondContact O-N 2.89Å; N72-K76 WeakPolarHBondContact O-CB 3.29Å; N72-K76 PolarHBondContact O-N 3.1Å
73	W	96.9	Very high	94.2	Very high	5 Å²	5	66.5 Å²	66.5	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-43.6	172.4	179.3	83.9	0	0	0	112.1	L68 P69 I70 K76 T77 V297 V299 H324 I327 L328	L68-W73 HydrophobicContact CB-CB 4.08Å; P69-W73 PolarHBondContact O-N 3.1Å; I70-W73 HydrophobicContact CD1-CE3 3.79Å; I70-W73 HydrophobicContact CD1-CZ3 4.19Å; I70-W73 PolarHBondContact O-N 2.9Å; W73-K76 PolarHBondContact O-N 2.8Å; W73-T77 VanDerWaalsContact O-CB 3.29Å; W73-T77 WeakPolarHBondContact O-CB 3.45Å; W73-T77 PolarHBondContact O-N 3.47Å; W73-T77 PolarHBondContact O-OG1 2.85Å; W73-V297 HydrophobicContact CB-CG2 3.97Å; W73-V297 HydrophobicContact CD2-CG2 3.4Å; W73-V297 HydrophobicContact CE3-CG2 3.61Å; W73-V297 HydrophobicContact CG-CG2 3.55Å; W73-V297 HydrophobicContact CZ2-CG2 4.5Å; W73-V297 HydrophobicContact CZ3-CG2 4.22Å; W73-V299 HydrophobicContact CH2-CG2 4.37Å; W73-V299 HydrophobicContact CZ2-CB 4.22Å; W73-V299 HydrophobicContact CZ2-CG2 3.58Å; W73-H324 HydrophobicContact CH2-CB 4.44Å; W73-H324 WeakPolarHBondContact CH2-O 3.23Å; W73-H324 HydrophobicContact CZ2-CB 4.34Å; W73-H324 AromaticContact CZ2-ND1 3.35Å; W73-H324 VanDerWaalsContact CZ2-ND1 3.35Å; W73-H324 WeakPolarHBondContact CZ2-ND1 3.47Å; W73-I327 HydrophobicContact CE3-CG2 4.47Å; W73-I327 HydrophobicContact CH2-CB 3.87Å; W73-I327 HydrophobicContact CH2-CG2 3.7Å; W73-I327 HydrophobicContact CZ2-CG2 4.42Å; W73-I327 HydrophobicContact CZ3-CB 4.31Å; W73-I327 HydrophobicContact CZ3-CG2 3.73Å; W73-L328 HydrophobicContact CE3-CD2 4.27Å; W73-L328 HydrophobicContact CH2-CD2 4.34Å; W73-L328 HydrophobicContact CH2-CG 3.91Å; W73-L328 HydrophobicContact CZ3-CD2 3.58Å; W73-L328 HydrophobicContact CZ3-CG 3.62Å
74	K	95.1	Very high	94.3	Very high	70 Å²	70	69 Å²	69	30%	0.304	36%	0.357	S	S	.	.	H	α-helix	trans	-56.3	-55	172.6	177.3	-156.8	-178.9	-177.5	0	110.6	I70 I71 K76 T77 C78 L328 I337	I70-K74 WeakPolarHBondContact O-CB 3.35Å; I70-K74 PolarHBondContact O-N 3.34Å; I71-K74 PolarHBondContact O-N 2.97Å; K74-K76 VanDerWaalsContact C-N 3.33Å; K74-K76 PolarHBondContact O-N 2.86Å; K74-T77 PolarHBondContact O-N 3.14Å; K74-C78 WeakPolarHBondContact O-CB 3.32Å; K74-C78 PolarHBondContact O-N 3.05Å; K74-C78 PolarHBondContact O-SG 3.35Å; K74-C78 VanDerWaalsContact O-SG 3.34Å; K74-L328 HydrophobicContact CB-CD2 4.16Å; K74-L328 HydrophobicContact CG-CD2 3.93Å; K74-I337 HydrophobicContact CB-CD1 4.3Å; K74-I337 HydrophobicContact CD-CD1 4.13Å; K74-I337 HydrophobicContact CD-CG1 4.34Å; K74-I337 HydrophobicContact CD-CG2 3.6Å; K74-I337 HydrophobicContact CG-CD1 4.29Å
75	K	95	Very high	94.5	Very high	141 Å²	141	67.8 Å²	67.8	61%	0.613	35%	0.349	S	S	*	.	H	α-helix	trans	-53.5	-49.1	179	-75	176.4	179.1	-178.7	0	111.1	I71 N72 C78 L79	I71-K75 HydrophobicContact CG2-CD 4.47Å; I71-K75 WeakPolarHBondContact O-CG 3.45Å; I71-K75 PolarHBondContact O-N 3.34Å; N72-K75 PolarHBondContact O-N 2.89Å; K75-C78 PolarHBondContact O-N 3.4Å; K75-L79 WeakPolarHBondContact O-CB 3.22Å; K75-L79 PolarHBondContact O-N 3.02Å
76	K	94.4	Very high	94.6	Very high	115 Å²	115	64.1 Å²	64.1	50%	0.5	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-46.3	177.9	-175.5	172.4	-177.3	172.9	0	112.6	L68 N72 W73 K74 L79 I80	L68-K76 HydrophobicContact CD1-CD 4.02Å; N72-K76 WeakPolarHBondContact O-CB 3.29Å; N72-K76 PolarHBondContact O-N 3.1Å; W73-K76 PolarHBondContact O-N 2.8Å; K74-K76 VanDerWaalsContact C-N 3.33Å; K74-K76 PolarHBondContact O-N 2.86Å; K76-L79 PolarHBondContact O-N 3.37Å; K76-I80 HydrophobicContact CG-CD1 3.95Å; K76-I80 VanDerWaalsContact O-CG1 3.26Å; K76-I80 WeakPolarHBondContact O-CG1 3.39Å; K76-I80 PolarHBondContact O-N 3.36Å
77	T	93.3	Very high	94.8	Very high	9 Å²	9	68.3 Å²	68.3	6%	0.055	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-40	-178.8	-58.1	0	0	0	0	111.8	W73 K74 I80 G81 L85 H324 L328	W73-T77 VanDerWaalsContact O-CB 3.29Å; W73-T77 WeakPolarHBondContact O-CB 3.45Å; W73-T77 PolarHBondContact O-N 3.47Å; W73-T77 PolarHBondContact O-OG1 2.85Å; K74-T77 PolarHBondContact O-N 3.14Å; T77-I80 PolarHBondContact O-N 2.74Å; T77-G81 PolarHBondContact O-N 2.76Å; T77-L85 HydrophobicContact CG2-CD1 4.28Å; T77-H324 HydrophobicContact CG2-CB 4.21Å; T77-L328 HydrophobicContact CG2-CD1 4.48Å
78	C	92.5	Very high	94.9	Very high	85 Å²	85	70.6 Å²	70.6	57%	0.574	35%	0.354	S	S	*	.	H	α-helix	trans	-62.8	-42.7	172.5	-69.6	0	0	0	0	112.3	K74 K75 G81	K74-C78 WeakPolarHBondContact O-CB 3.32Å; K74-C78 PolarHBondContact O-N 3.05Å; K74-C78 PolarHBondContact O-SG 3.35Å; K74-C78 VanDerWaalsContact O-SG 3.34Å; K75-C78 PolarHBondContact O-N 3.4Å; C78-G81 PolarHBondContact O-N 3.22Å
79	L	94.7	Very high	94.9	Very high	155 Å²	155	69.3 Å²	69.3	81%	0.812	35%	0.346	S	S	*	.	H	α-helix	trans	-66.3	-37.4	178.6	-177	64.5	0	0	0	112.9	K75 K76	K75-L79 WeakPolarHBondContact O-CB 3.22Å; K75-L79 PolarHBondContact O-N 3.02Å; K76-L79 PolarHBondContact O-N 3.37Å
80	I	93.2	Very high	94.8	Very high	41 Å²	41	72.5 Å²	72.5	21%	0.21	36%	0.36	C	S	.	.	H	α-helix	trans	-63.5	-48.4	175.5	-68.9	165.6	0	0	0	110.2	K76 T77 N84 L85	K76-I80 HydrophobicContact CG-CD1 3.95Å; K76-I80 VanDerWaalsContact O-CG1 3.26Å; K76-I80 WeakPolarHBondContact O-CG1 3.39Å; K76-I80 PolarHBondContact O-N 3.36Å; T77-I80 PolarHBondContact O-N 2.74Å; I80-N84 HydrophobicContact CG2-CB 3.65Å; I80-N84 WeakPolarHBondContact O-CB 3.44Å; I80-N84 PolarHBondContact O-ND2 2.85Å; I80-L85 HydrophobicContact CG2-CD2 3.92Å; I80-L85 HydrophobicContact CG2-CG 3.88Å
81	G	93	Very high	94.6	Very high	28 Å²	28	80.3 Å²	80.3	29%	0.289	39%	0.389	S	S	.	.	H	α-helix	trans	69.8	165.5	-178.9	0	0	0	0	0	114.4	T77 C78 K83 N84 L85	T77-G81 PolarHBondContact O-N 2.76Å; C78-G81 PolarHBondContact O-N 3.22Å; G81-K83 PolarHBondContact O-N 2.98Å; G81-N84 PolarHBondContact O-N 3.07Å; G81-L85 WeakPolarHBondContact O-CG 3.28Å; G81-L85 PolarHBondContact O-N 2.86Å
82	V	93.7	Very high	94.5	Very high	81 Å²	81	76.6 Å²	76.6	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-57.1	-43.9	-170	-178.6	0	0	0	0	112.9	N84 L85 F86 L321	V82-N84 VanDerWaalsContact C-N 3.35Å; V82-N84 PolarHBondContact O-N 3.05Å; V82-L85 PolarHBondContact O-N 3.37Å; V82-F86 HydrophobicContact CG1-CD1 4.21Å; V82-F86 HydrophobicContact CG1-CE1 3.94Å; V82-F86 WeakPolarHBondContact O-CD1 3.42Å; V82-F86 PolarHBondContact O-N 3.11Å; V82-F86 VanDerWaalsContact O-N 3.07Å; V82-L321 HydrophobicContact CG1-CD1 4.3Å; V82-L321 HydrophobicContact CG1-CD2 3.96Å; V82-L321 HydrophobicContact CG2-CD1 4.19Å
83	K	93.8	Very high	94.1	Very high	155 Å²	155	75.2 Å²	75.2	67%	0.674	37%	0.367	S	S	*	.	H	α-helix	trans	-59.8	-41.3	-179.3	-176.3	174.9	179.4	176.2	0	112.6	G81 R87	G81-K83 PolarHBondContact O-N 2.98Å; K83-R87 PolarHBondContact O-N 3.3Å
84	N	96.2	Very high	93.7	Very high	67 Å²	67	79.7 Å²	79.7	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-86.1	-21.2	179.4	-56	-57.1	0	0	0	112.6	I80 G81 V82 F86 R87 Q88	I80-N84 HydrophobicContact CG2-CB 3.65Å; I80-N84 WeakPolarHBondContact O-CB 3.44Å; I80-N84 PolarHBondContact O-ND2 2.85Å; G81-N84 PolarHBondContact O-N 3.07Å; V82-N84 VanDerWaalsContact C-N 3.35Å; V82-N84 PolarHBondContact O-N 3.05Å; N84-F86 VanDerWaalsContact C-N 3.28Å; N84-F86 PolarHBondContact O-N 2.91Å; N84-R87 PolarHBondContact O-N 3.49Å; N84-R87 WeakPolarHBondContact OD1-CD 3.29Å; N84-R87 PolarHBondContact OD1-NH1 3.44Å; N84-R87 VanDerWaalsContact OD1-NH1 3.12Å; N84-Q88 WeakPolarHBondContact O-CB 2.97Å; N84-Q88 PolarHBondContact O-N 3.06Å
85	L	95.5	Very high	93.2	Very high	6 Å²	6	77.3 Å²	77.3	3%	0.031	39%	0.389	C	S	.	.	H	α-helix	trans	-62.5	-36.4	165.4	-73.3	175.2	0	0	0	111.5	T77 I80 G81 V82 Q88 F89 Y320 L321	T77-L85 HydrophobicContact CG2-CD1 4.28Å; I80-L85 HydrophobicContact CG2-CD2 3.92Å; I80-L85 HydrophobicContact CG2-CG 3.88Å; G81-L85 WeakPolarHBondContact O-CG 3.28Å; G81-L85 PolarHBondContact O-N 2.86Å; V82-L85 PolarHBondContact O-N 3.37Å; L85-Q88 PolarHBondContact O-N 3.02Å; L85-F89 PolarHBondContact O-N 2.9Å; L85-Y320 HydrophobicContact CD2-CE1 4.22Å; L85-L321 HydrophobicContact CD1-CD1 3.76Å
86	F	94.4	Very high	93	Very high	52 Å²	52	78.3 Å²	78.3	23%	0.228	39%	0.393	C	S	.	.	H	α-helix	trans	-67.5	-39.7	173.9	-82	35.6	0	0	0	111.6	V82 N84 F89 I90 P317 W318 L321	V82-F86 HydrophobicContact CG1-CD1 4.21Å; V82-F86 HydrophobicContact CG1-CE1 3.94Å; V82-F86 WeakPolarHBondContact O-CD1 3.42Å; V82-F86 PolarHBondContact O-N 3.11Å; V82-F86 VanDerWaalsContact O-N 3.07Å; N84-F86 VanDerWaalsContact C-N 3.28Å; N84-F86 PolarHBondContact O-N 2.91Å; F86-F89 WeakPolarHBondContact O-CB 3.15Å; F86-F89 PolarHBondContact O-N 2.9Å; F86-I90 WeakPolarHBondContact O-CG1 3.24Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.12Å; F86-P317 HydrophobicContact CB-CB 4.36Å; F86-P317 HydrophobicContact CD1-CB 3.84Å; F86-P317 HydrophobicContact CD2-CB 3.74Å; F86-P317 HydrophobicContact CD2-CG 3.98Å; F86-P317 HydrophobicContact CE1-CB 3.97Å; F86-P317 HydrophobicContact CE2-CB 3.89Å; F86-P317 HydrophobicContact CE2-CG 3.9Å; F86-P317 HydrophobicContact CG-CB 3.71Å; F86-P317 HydrophobicContact CG-CG 4.45Å; F86-P317 HydrophobicContact CZ-CB 4Å; F86-P317 HydrophobicContact CZ-CG 4.3Å; F86-W318 HydrophobicContact CE2-CH2 4.49Å; F86-W318 HydrophobicContact CE2-CZ2 4.16Å; F86-W318 AromaticContact CZ-CD2 3.84Å; F86-W318 HydrophobicContact CZ-CD2 3.84Å; F86-W318 AromaticContact CZ-CE2 3.86Å; F86-W318 AromaticContact CZ-CE3 3.85Å; F86-W318 HydrophobicContact CZ-CE3 3.85Å; F86-W318 AromaticContact CZ-CH2 3.91Å; F86-W318 HydrophobicContact CZ-CH2 3.91Å; F86-W318 AromaticContact CZ-CZ2 3.9Å; F86-W318 HydrophobicContact CZ-CZ2 3.9Å; F86-W318 AromaticContact CZ-CZ3 3.88Å; F86-W318 HydrophobicContact CZ-CZ3 3.88Å; F86-L321 HydrophobicContact CE1-CB 4.1Å; F86-L321 HydrophobicContact CE1-CD2 4.07Å
87	R	95.5	Very high	92.8	Very high	153 Å²	153	73.3 Å²	73.3	58%	0.577	37%	0.373	S	S	*	.	H	α-helix	trans	-64.3	-40.2	171.6	-70.5	170.7	163.4	177.6	-13.4	112.3	K83 N84 F89 I90 W91	K83-R87 PolarHBondContact O-N 3.3Å; N84-R87 PolarHBondContact O-N 3.49Å; N84-R87 WeakPolarHBondContact OD1-CD 3.29Å; N84-R87 PolarHBondContact OD1-NH1 3.44Å; N84-R87 VanDerWaalsContact OD1-NH1 3.12Å; R87-F89 VanDerWaalsContact C-N 3.32Å; R87-F89 PolarHBondContact O-N 2.77Å; R87-I90 WeakPolarHBondContact O-CB 3.47Å; R87-I90 PolarHBondContact O-N 3.02Å; R87-W91 PolarHBondContact O-N 3.3Å
88	Q	95.3	Very high	92.6	Very high	49 Å²	49	76 Å²	76	23%	0.229	40%	0.396	C	S	.	.	H	α-helix	trans	-63.6	-37.2	174.7	-176.6	175.6	63.4	0	0	111.7	N84 L85 W91 L92 Y320	N84-Q88 WeakPolarHBondContact O-CB 2.97Å; N84-Q88 PolarHBondContact O-N 3.06Å; L85-Q88 PolarHBondContact O-N 3.02Å; Q88-W91 PolarHBondContact O-N 3.16Å; Q88-L92 HydrophobicContact CG-CD1 4.25Å; Q88-L92 HydrophobicContact CG-CG 4.49Å; Q88-L92 WeakPolarHBondContact O-CB 3.36Å; Q88-L92 VanDerWaalsContact O-CG 3.28Å; Q88-L92 WeakPolarHBondContact O-CG 3.27Å; Q88-L92 PolarHBondContact O-N 2.89Å; Q88-Y320 HydrophobicContact CB-CE1 4.41Å; Q88-Y320 HydrophobicContact CG-CE1 4.35Å; Q88-Y320 PolarHBondContact OE1-OH 2.96Å
89	F	95.5	Very high	92.5	Very high	25 Å²	25	74.9 Å²	74.9	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-43.1	171.4	172.7	-100.7	0	0	0	112.2	L85 F86 R87 L92 S93 V314 P317 Y320	L85-F89 PolarHBondContact O-N 2.9Å; F86-F89 WeakPolarHBondContact O-CB 3.15Å; F86-F89 PolarHBondContact O-N 2.9Å; R87-F89 VanDerWaalsContact C-N 3.32Å; R87-F89 PolarHBondContact O-N 2.77Å; F89-L92 PolarHBondContact O-N 3.09Å; F89-S93 PolarHBondContact O-N 3.14Å; F89-S93 VanDerWaalsContact O-N 3.08Å; F89-V314 HydrophobicContact CD2-CG1 4.36Å; F89-V314 HydrophobicContact CE2-CB 4.28Å; F89-V314 HydrophobicContact CE2-CG1 3.87Å; F89-V314 WeakPolarHBondContact CE2-O 3.46Å; F89-P317 HydrophobicContact CB-CB 4.36Å; F89-P317 HydrophobicContact CD1-CB 3.72Å; F89-P317 HydrophobicContact CD1-CG 4.31Å; F89-P317 HydrophobicContact CE1-CB 4.32Å; F89-P317 HydrophobicContact CG-CB 4.1Å; F89-Y320 HydrophobicContact CB-CD1 3.78Å; F89-Y320 HydrophobicContact CB-CE1 4.44Å; F89-Y320 HydrophobicContact CB-CG 4.07Å; F89-Y320 HydrophobicContact CD2-CG 4.02Å; F89-Y320 HydrophobicContact CG-CG 4.47Å
90	I	94.3	Very high	92.3	Very high	112 Å²	112	69.3 Å²	69.3	57%	0.574	36%	0.364	S	S	*	.	H	α-helix	trans	-61.6	-44.3	175.1	-64.4	166	0	0	0	110.5	F86 R87 S93	F86-I90 WeakPolarHBondContact O-CG1 3.24Å; F86-I90 PolarHBondContact O-N 3.31Å; F86-I90 VanDerWaalsContact O-N 3.12Å; R87-I90 WeakPolarHBondContact O-CB 3.47Å; R87-I90 PolarHBondContact O-N 3.02Å; I90-S93 WeakPolarHBondContact O-CB 3.48Å; I90-S93 PolarHBondContact O-N 3.19Å; I90-S93 PolarHBondContact O-OG 2.84Å
91	W	93.7	Very high	92.2	Very high	169 Å²	169	74.8 Å²	74.8	64%	0.64	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-41.4	175.6	-178.7	83	0	0	0	112.7	R87 Q88 S93 T94	R87-W91 PolarHBondContact O-N 3.3Å; Q88-W91 PolarHBondContact O-N 3.16Å; W91-S93 PolarHBondContact O-N 3.15Å; W91-S93 VanDerWaalsContact O-N 3.12Å; W91-T94 PolarHBondContact O-N 3.44Å; W91-T94 PolarHBondContact O-OG1 2.79Å
92	L	93.3	Very high	92.1	Very high	3 Å²	3	74.3 Å²	74.3	2%	0.016	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-19.8	173.1	-73.4	169.8	0	0	0	112.7	Q88 F89 T94 A95 T303 R304 R307 Y320	Q88-L92 HydrophobicContact CG-CD1 4.25Å; Q88-L92 HydrophobicContact CG-CG 4.49Å; Q88-L92 WeakPolarHBondContact O-CB 3.36Å; Q88-L92 VanDerWaalsContact O-CG 3.28Å; Q88-L92 WeakPolarHBondContact O-CG 3.27Å; Q88-L92 PolarHBondContact O-N 2.89Å; F89-L92 PolarHBondContact O-N 3.09Å; L92-T94 PolarHBondContact O-N 2.87Å; L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.19Å; L92-T303 HydrophobicContact CD1-CG2 4.07Å; L92-R304 HydrophobicContact CD2-CB 3.67Å; L92-R304 HydrophobicContact CD2-CG 4.09Å; L92-R307 WeakPolarHBondContact O-CD 3.42Å; L92-R307 PolarHBondContact O-NE 3.08Å; L92-Y320 HydrophobicContact CD1-CD2 4.29Å; L92-Y320 HydrophobicContact CD1-CE1 4.39Å; L92-Y320 HydrophobicContact CD1-CE2 3.5Å
93	S	87.1	Confident	92.2	Very high	58 Å²	58	73 Å²	73	41%	0.406	38%	0.377	S	S	.	.	H	α-helix	trans	-64.8	-27.2	175	83.6	0	0	0	0	112.9	F89 I90 W91 A95 R307	F89-S93 PolarHBondContact O-N 3.14Å; F89-S93 VanDerWaalsContact O-N 3.08Å; I90-S93 WeakPolarHBondContact O-CB 3.48Å; I90-S93 PolarHBondContact O-N 3.19Å; I90-S93 PolarHBondContact O-OG 2.84Å; W91-S93 PolarHBondContact O-N 3.15Å; W91-S93 VanDerWaalsContact O-N 3.12Å; S93-A95 VanDerWaalsContact C-N 3.35Å; S93-R307 PolarHBondContact O-NH2 3.39Å; S93-R307 VanDerWaalsContact O-NH2 3.13Å
94	T	87.8	Confident	92.4	Very high	100 Å²	100	66.6 Å²	66.6	61%	0.613	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	14	178.4	78.6	0	0	0	0	113.9	W91 L92 K96	W91-T94 PolarHBondContact O-N 3.44Å; W91-T94 PolarHBondContact O-OG1 2.79Å; L92-T94 PolarHBondContact O-N 2.87Å; T94-K96 PolarHBondContact O-N 3.38Å
95	A	85.7	Confident	92.4	Very high	20 Å²	20	66.9 Å²	66.9	17%	0.165	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-63.5	129.3	175.9	0	0	0	0	0	111	L92 S93 R304 R307	L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.19Å; S93-A95 VanDerWaalsContact C-N 3.35Å; A95-R304 HydrophobicContact CB-CG 4.04Å; A95-R307 HydrophobicContact CB-CB 4.42Å
96	K	89.8	Confident	92.5	Very high	162 Å²	162	67 Å²	67	70%	0.704	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-64.1	154.8	173.1	-63.7	-169.3	175.8	-166.9	0	111.3	T94 A308	T94-K96 PolarHBondContact O-N 3.38Å; K96-A308 WeakPolarHBondContact O-CA 3.38Å; K96-A308 VanDerWaalsContact O-CB 3.28Å; K96-A308 WeakPolarHBondContact O-CB 3.26Å
97	A	91.5	Very high	92.7	Very high	9 Å²	9	64.8 Å²	64.8	7%	0.074	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-64.9	168	169.5	0	0	0	0	0	112.1	D99 G100 Y122 A308	A97-D99 VanDerWaalsContact C-N 3.29Å; A97-D99 WeakPolarHBondContact CB-OD1 3.38Å; A97-D99 PolarHBondContact O-N 3.45Å; A97-G100 PolarHBondContact O-N 3.34Å; A97-Y122 HydrophobicContact CB-CD1 3.88Å; A97-Y122 HydrophobicContact CB-CD2 3.73Å; A97-Y122 HydrophobicContact CB-CE1 3.87Å; A97-Y122 HydrophobicContact CB-CE2 3.71Å; A97-Y122 HydrophobicContact CB-CG 3.82Å; A97-A308 CarbonylContact C-O 3.55Å; A97-A308 WeakPolarHBondContact CA-O 3.07Å
98	A	88.4	Confident	92.8	Very high	65 Å²	65	64.3 Å²	64.3	54%	0.537	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.1	-174.7	0	0	0	0	0	114.1	T125 A308 Q309	A98-T125 HydrophobicContact CB-CG2 4.41Å; A98-A308 HydrophobicContact CB-CB 4.44Å; A98-A308 PolarHBondContact N-O 2.81Å; A98-Q309 HydrophobicContact CB-CG 4.46Å
99	D	91	Very high	92.9	Very high	62 Å²	62	70.1 Å²	70.1	33%	0.332	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.6	172.1	57.7	2.3	0	0	0	113.3	A97 E101 G102 C124	A97-D99 VanDerWaalsContact C-N 3.29Å; A97-D99 WeakPolarHBondContact CB-OD1 3.38Å; A97-D99 PolarHBondContact O-N 3.45Å; D99-E101 PolarHBondContact O-N 3.16Å; D99-E101 PolarHBondContact OD1-N 3.32Å; D99-G102 PolarHBondContact OD1-N 3.33Å; D99-C124 HydrophobicContact CB-CB 3.91Å; D99-C124 WeakPolarHBondContact OD2-CB 3.43Å; D99-C124 PolarHBondContact OD2-SG 3.29Å
100	G	90.2	Very high	93	Very high	38 Å²	38	70.2 Å²	70.2	39%	0.392	38%	0.375	S	S	.	.	S	Bend	trans	82.6	-19.7	-173	0	0	0	0	0	115.1	A97	A97-G100 PolarHBondContact O-N 3.34Å
101	E	90.3	Very high	93.1	Very high	156 Å²	156	69 Å²	69	73%	0.729	37%	0.374	S	S	*	.	S	Bend	trans	-88.9	-46.5	179.9	-62.6	-175.4	-179.9	0	0	112.3	D99 T103	D99-E101 PolarHBondContact O-N 3.16Å; D99-E101 PolarHBondContact OD1-N 3.32Å; E101-T103 HydrophobicContact CB-CG2 4.32Å
102	G	91.3	Very high	93.3	Very high	19 Å²	19	65.1 Å²	65.1	20%	0.196	37%	0.373	C	S	.	.			trans	67.8	39.7	-179	0	0	0	0	0	114.1	D99 T104	D99-G102 PolarHBondContact OD1-N 3.33Å; G102-T104 WeakPolarHBondContact O-CG2 3.46Å
103	T	96.3	Very high	93.5	Very high	53 Å²	53	66 Å²	66	33%	0.325	38%	0.377	S	S	.	.			trans	-58.2	143.4	173.8	48.9	0	0	0	0	111.6	E101 Y122 D123	E101-T103 HydrophobicContact CB-CG2 4.32Å; T103-Y122 CarbonylContact O-C 3.49Å; T103-Y122 VanDerWaalsContact O-CA 3.29Å; T103-Y122 WeakPolarHBondContact O-CA 3.33Å; T103-D123 PolarHBondContact O-N 3.48Å
104	T	96.8	Very high	94.1	Very high	20 Å²	20	64 Å²	64	12%	0.123	36%	0.362	C	S	.	.			trans	-136.9	25.1	-175.4	58.9	0	0	0	0	111.8	G102 A106 F107 Y108 Q120 L121 Y122 D123	G102-T104 WeakPolarHBondContact O-CG2 3.46Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.36Å; T104-F107 WeakPolarHBondContact O-CB 3.36Å; T104-F107 PolarHBondContact O-N 3.43Å; T104-Y108 WeakPolarHBondContact O-CD2 3.35Å; T104-Y108 PolarHBondContact O-N 3.44Å; T104-Y108 WeakPolarHBondContact OG1-CE2 3.32Å; T104-Q120 HydrophobicContact CG2-CB 3.96Å; T104-Q120 HydrophobicContact CG2-CG 4.38Å; T104-L121 WeakPolarHBondContact CG2-O 3.49Å; T104-Y122 HydrophobicContact CG2-CD1 4.12Å; T104-D123 PolarHBondContact N-OD2 2.96Å
105	C	97.4	Very high	94.5	Very high	73 Å²	73	61.2 Å²	61.2	49%	0.493	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-35.5	-173.5	-67.1	0	0	0	0	112.6	F107 Y108 K109 D123	C105-F107 VanDerWaalsContact C-N 3.29Å; C105-F107 PolarHBondContact O-N 3.25Å; C105-Y108 PolarHBondContact O-N 3.41Å; C105-K109 WeakPolarHBondContact O-CG 3.21Å; C105-K109 PolarHBondContact O-N 3.05Å; C105-K109 VanDerWaalsContact O-N 3.11Å; C105-D123 WeakPolarHBondContact CA-OD2 3.5Å; C105-D123 WeakPolarHBondContact CB-OD2 3.35Å; C105-D123 PolarHBondContact N-OD1 3.25Å; C105-D123 PolarHBondContact N-OD2 3.49Å
106	A	97.6	Very high	95.1	Very high	10 Å²	10	63.4 Å²	63.4	8%	0.083	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-33.7	178.4	0	0	0	0	0	111.8	T104 K109 N110 D123 Y137	T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.36Å; A106-K109 PolarHBondContact O-N 2.92Å; A106-N110 PolarHBondContact O-N 2.66Å; A106-N110 PolarHBondContact O-ND2 3.29Å; A106-D123 WeakPolarHBondContact CB-OD1 3.3Å; A106-D123 PolarHBondContact N-OD1 3.44Å; A106-Y137 HydrophobicContact CB-CD2 3.87Å; A106-Y137 HydrophobicContact CB-CE2 3.94Å; A106-Y137 WeakPolarHBondContact O-CE2 3.23Å
107	F	97.9	Very high	95.4	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.022	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-49.1	175.6	170.7	-95.3	0	0	0	111.8	T104 C105 K109 N110 N114 T117 I119 Q120 L121 Y137	T104-F107 WeakPolarHBondContact O-CB 3.36Å; T104-F107 PolarHBondContact O-N 3.43Å; C105-F107 VanDerWaalsContact C-N 3.29Å; C105-F107 PolarHBondContact O-N 3.25Å; F107-K109 PolarHBondContact O-N 3.33Å; F107-N110 PolarHBondContact O-N 2.85Å; F107-N114 HydrophobicContact CD2-CB 4.45Å; F107-N114 VanDerWaalsContact CD2-ND2 3.26Å; F107-N114 WeakPolarHBondContact CD2-ND2 3.19Å; F107-N114 HydrophobicContact CE2-CB 3.87Å; F107-N114 VanDerWaalsContact CE2-CG 3.45Å; F107-N114 VanDerWaalsContact CE2-ND2 3.27Å; F107-N114 WeakPolarHBondContact CE2-ND2 3.4Å; F107-N114 PolarHBondContact O-ND2 3.16Å; F107-T117 WeakPolarHBondContact CZ-O 3.4Å; F107-I119 WeakPolarHBondContact CE2-O 3.44Å; F107-Q120 HydrophobicContact CD1-CB 4.49Å; F107-Q120 HydrophobicContact CD1-CG 3.97Å; F107-Q120 HydrophobicContact CE1-CG 4Å; F107-L121 HydrophobicContact CB-CG 4.43Å; F107-Y137 WeakPolarHBondContact CA-OH 3.34Å
108	Y	97.6	Very high	95.6	Very high	143 Å²	143	67 Å²	67	56%	0.561	38%	0.375	S	S	*	.	H	α-helix	trans	-70.5	-28.4	-179.4	-71.9	-71.3	0	0	0	113.7	T104 C105 N110 Q120	T104-Y108 WeakPolarHBondContact O-CD2 3.35Å; T104-Y108 PolarHBondContact O-N 3.44Å; T104-Y108 WeakPolarHBondContact OG1-CE2 3.32Å; C105-Y108 PolarHBondContact O-N 3.41Å; Y108-N110 VanDerWaalsContact C-N 3.3Å; Y108-N110 PolarHBondContact O-N 3.34Å; Y108-Q120 PolarHBondContact OH-NE2 3.5Å
109	K	97.8	Very high	96	Very high	170 Å²	170	64.8 Å²	64.8	74%	0.739	35%	0.354	S	S	*	.	H	α-helix	trans	-72.2	-19.2	173.9	-73.3	177.7	179.1	-176.2	0	113.9	C105 A106 F107 P111	C105-K109 WeakPolarHBondContact O-CG 3.21Å; C105-K109 PolarHBondContact O-N 3.05Å; C105-K109 VanDerWaalsContact O-N 3.11Å; A106-K109 PolarHBondContact O-N 2.92Å; F107-K109 PolarHBondContact O-N 3.33Å; K109-P111 WeakPolarHBondContact O-CD 3.29Å
110	N	97.8	Very high	96.2	Very high	28 Å²	28	65.4 Å²	65.4	15%	0.15	36%	0.355	C	S	.	.			trans	-123.2	49.9	-172.5	-69.3	-84.4	0	0	0	113.6	A106 F107 Y108 S112 L113 N114 Y137	A106-N110 PolarHBondContact O-N 2.66Å; A106-N110 PolarHBondContact O-ND2 3.29Å; F107-N110 PolarHBondContact O-N 2.85Å; Y108-N110 VanDerWaalsContact C-N 3.3Å; Y108-N110 PolarHBondContact O-N 3.34Å; N110-S112 VanDerWaalsContact C-N 3.3Å; N110-S112 PolarHBondContact O-N 3.16Å; N110-L113 HydrophobicContact CB-CB 4.43Å; N110-L113 HydrophobicContact CB-CD1 4.16Å; N110-L113 PolarHBondContact O-N 2.88Å; N110-N114 PolarHBondContact O-ND2 2.94Å; N110-Y137 HydrophobicContact CB-CD1 3.36Å; N110-Y137 HydrophobicContact CB-CD2 4.11Å; N110-Y137 HydrophobicContact CB-CE1 3.56Å; N110-Y137 HydrophobicContact CB-CE2 4.28Å; N110-Y137 HydrophobicContact CB-CG 3.64Å; N110-Y137 VanDerWaalsContact CG-CG 3.42Å
111	P	97	Very high	96.5	Very high	86 Å²	86	63.6 Å²	63.6	56%	0.558	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-61.9	-33.5	-168.6	26.2	-35.4	0	0	0	113.8	K109 L113 N114	K109-P111 WeakPolarHBondContact O-CD 3.29Å; P111-L113 VanDerWaalsContact C-N 3.26Å; P111-L113 PolarHBondContact O-N 3.25Å; P111-N114 PolarHBondContact O-N 3.19Å
112	S	97.1	Very high	96.8	Very high	88 Å²	88	57.5 Å²	57.5	62%	0.615	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.9	179.3	57.3	0	0	0	0	113.8	N110 N161	N110-S112 VanDerWaalsContact C-N 3.3Å; N110-S112 PolarHBondContact O-N 3.16Å; S112-N161 PolarHBondContact O-ND2 2.85Å
113	L	98	Very high	97.1	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.105	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-93.1	-0.2	-179.8	-55.4	176	0	0	0	111.9	N110 P111 T135 Y137 Q156 T162	N110-L113 HydrophobicContact CB-CB 4.43Å; N110-L113 HydrophobicContact CB-CD1 4.16Å; N110-L113 PolarHBondContact O-N 2.88Å; P111-L113 VanDerWaalsContact C-N 3.26Å; P111-L113 PolarHBondContact O-N 3.25Å; L113-T135 HydrophobicContact CD1-CG2 3.73Å; L113-Y137 HydrophobicContact CB-CD1 3.84Å; L113-Y137 HydrophobicContact CB-CE1 3.89Å; L113-Y137 HydrophobicContact CD1-CD1 3.79Å; L113-Y137 HydrophobicContact CG-CD1 4.45Å; L113-Q156 PolarHBondContact O-NE2 3.28Å; L113-T162 HydrophobicContact CB-CG2 4.11Å; L113-T162 HydrophobicContact CD2-CG2 3.94Å
114	N	98.1	Very high	97.2	Very high	17 Å²	17	58.6 Å²	58.6	9%	0.091	31%	0.31	C	S	.	.			trans	-100.3	123.1	179.2	-59.5	-33.5	0	0	0	110.5	F107 N110 P111 Y116 Y137 H139	F107-N114 HydrophobicContact CD2-CB 4.45Å; F107-N114 VanDerWaalsContact CD2-ND2 3.26Å; F107-N114 WeakPolarHBondContact CD2-ND2 3.19Å; F107-N114 HydrophobicContact CE2-CB 3.87Å; F107-N114 VanDerWaalsContact CE2-CG 3.45Å; F107-N114 VanDerWaalsContact CE2-ND2 3.27Å; F107-N114 WeakPolarHBondContact CE2-ND2 3.4Å; F107-N114 PolarHBondContact O-ND2 3.16Å; N110-N114 PolarHBondContact O-ND2 2.94Å; P111-N114 PolarHBondContact O-N 3.19Å; N114-Y116 PolarHBondContact O-N 2.91Å; N114-Y137 WeakPolarHBondContact OD1-CE1 3.43Å; N114-Y137 PolarHBondContact OD1-OH 2.94Å; N114-H139 PolarHBondContact OD1-CD2 3.34Å
115	R	97.8	Very high	97.2	Very high	41 Å²	41	58.3 Å²	58.3	16%	0.155	31%	0.309	C	S	.	.	S	Bend	trans	-64.2	-28.9	173.7	178.1	175.6	-73.5	-80.1	-3	112.2	Q156 G157 P158 T159 K191 S272	R115-Q156 VanDerWaalsContact CB-OE1 3.3Å; R115-G157 VanDerWaalsContact CZ-O 3.29Å; R115-G157 PolarHBondContact NE-O 3.25Å; R115-G157 PolarHBondContact NH2-O 3.02Å; R115-P158 PolarHBondContact NH2-O 3.37Å; R115-T159 HydrophobicContact CB-CG2 3.95Å; R115-T159 HydrophobicContact CG-CG2 4.31Å; R115-K191 VanDerWaalsContact CZ-O 3.27Å; R115-K191 PolarHBondContact NE-O 2.94Å; R115-S272 WeakPolarHBondContact CD-O 3.42Å
116	Y	97.4	Very high	97.3	Very high	67 Å²	67	57.2 Å²	57.2	26%	0.263	29%	0.294	S	S	.	.			trans	-137	125.3	-175.5	-63.9	-64.2	0	0	0	110.3	N114 N118 I119 S272 A273	N114-Y116 PolarHBondContact O-N 2.91Å; Y116-N118 PolarHBondContact O-N 3.16Å; Y116-I119 HydrophobicContact CD2-CG1 4.2Å; Y116-I119 HydrophobicContact CG-CG1 4.11Å; Y116-I119 PolarHBondContact O-N 3.14Å; Y116-S272 PolarHBondContact OH-OG 2.86Å; Y116-A273 HydrophobicContact CD2-CB 3.68Å; Y116-A273 HydrophobicContact CE2-CB 3.76Å
117	T	96.3	Very high	97.3	Very high	123 Å²	123	56.7 Å²	56.7	76%	0.755	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-12.3	-179.1	51.6	0	0	0	0	114.1	F107	F107-T117 WeakPolarHBondContact CZ-O 3.4Å
118	N	95.8	Very high	97.4	Very high	123 Å²	123	58.8 Å²	58.8	66%	0.658	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113	8.7	-177.9	72.4	-40.2	0	0	0	114.1	Y116	Y116-N118 PolarHBondContact O-N 3.16Å
119	I	96.6	Very high	97.4	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.092	28%	0.278	C	S	.	.			trans	-112.5	91	178	-54	-59.7	0	0	0	107.6	F107 Y116 H139 A273 I275	F107-I119 WeakPolarHBondContact CE2-O 3.44Å; Y116-I119 HydrophobicContact CD2-CG1 4.2Å; Y116-I119 HydrophobicContact CG-CG1 4.11Å; Y116-I119 PolarHBondContact O-N 3.14Å; I119-H139 PolarHBondContact O-NE2 3.28Å; I119-H139 VanDerWaalsContact O-NE2 3.17Å; I119-A273 HydrophobicContact CG1-CB 4.18Å; I119-A273 HydrophobicContact CG2-CB 4.34Å; I119-I275 HydrophobicContact CD1-CD1 3.79Å; I119-I275 HydrophobicContact CG2-CD1 4.31Å; I119-I275 HydrophobicContact CG2-CG1 4.37Å; I119-I275 HydrophobicContact CG2-CG2 3.92Å
120	Q	96	Very high	97.4	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	28%	0.275	S	S	.	.			trans	-70	170	178.4	-66.9	162.1	-12.7	0	0	112	T104 F107 Y108 H139	T104-Q120 HydrophobicContact CG2-CB 3.96Å; T104-Q120 HydrophobicContact CG2-CG 4.38Å; F107-Q120 HydrophobicContact CD1-CB 4.49Å; F107-Q120 HydrophobicContact CD1-CG 3.97Å; F107-Q120 HydrophobicContact CE1-CG 4Å; Y108-Q120 PolarHBondContact OH-NE2 3.5Å; Q120-H139 VanDerWaalsContact C-NE2 3.26Å; Q120-H139 PolarHBondContact O-NE2 3.26Å
121	L	95.7	Very high	97.1	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.283	C	S	.	.			trans	-135.3	149	164	70.2	91.4	0	0	0	109.1	T104 F107 R126 Y137 H139	T104-L121 WeakPolarHBondContact CG2-O 3.49Å; F107-L121 HydrophobicContact CB-CG 4.43Å; L121-R126 HydrophobicContact CD1-CB 3.4Å; L121-R126 HydrophobicContact CD1-CG 4.5Å; L121-Y137 HydrophobicContact CD2-CE2 3.83Å; L121-Y137 VanDerWaalsContact CD2-OH 3.22Å; L121-Y137 WeakPolarHBondContact CD2-OH 3.48Å; L121-H139 VanDerWaalsContact CB-CE1 3.43Å; L121-H139 WeakPolarHBondContact CB-CE1 3.34Å; L121-H139 WeakPolarHBondContact CB-NE2 3.46Å; L121-H139 HydrophobicContact CD2-CB 4.09Å; L121-H139 WeakPolarHBondContact CD2-CE1 3.22Å; L121-H139 WeakPolarHBondContact CD2-ND1 3.38Å
122	Y	97.6	Very high	97	Very high	27 Å²	27	52.4 Å²	52.4	11%	0.106	29%	0.292	C	S	.	.			trans	-79.7	136	176.7	-55.2	-50.9	0	0	0	111.3	A97 T103 T104 C124 T125 R126 R307 A308 A311	A97-Y122 HydrophobicContact CB-CD1 3.88Å; A97-Y122 HydrophobicContact CB-CD2 3.73Å; A97-Y122 HydrophobicContact CB-CE1 3.87Å; A97-Y122 HydrophobicContact CB-CE2 3.71Å; A97-Y122 HydrophobicContact CB-CG 3.82Å; T103-Y122 CarbonylContact O-C 3.49Å; T103-Y122 VanDerWaalsContact O-CA 3.29Å; T103-Y122 WeakPolarHBondContact O-CA 3.33Å; T104-Y122 HydrophobicContact CG2-CD1 4.12Å; Y122-C124 VanDerWaalsContact C-N 3.3Å; Y122-C124 PolarHBondContact O-N 2.98Å; Y122-T125 PolarHBondContact O-N 3.05Å; Y122-R126 PolarHBondContact O-N 3.14Å; Y122-R307 WeakPolarHBondContact CE2-O 3.17Å; Y122-A308 WeakPolarHBondContact CD2-O 3.31Å; Y122-A311 HydrophobicContact CD1-CB 4.11Å; Y122-A311 HydrophobicContact CD2-CB 4.12Å; Y122-A311 HydrophobicContact CE1-CB 3.74Å; Y122-A311 HydrophobicContact CE2-CB 3.75Å; Y122-A311 HydrophobicContact CG-CB 4.28Å
123	D	97.6	Very high	96.7	Very high	35 Å²	35	53.6 Å²	53.6	19%	0.187	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-64.9	-36.1	-179.3	-64.4	-32.3	0	0	0	111.4	T103 T104 C105 A106 T125 R126	T103-D123 PolarHBondContact O-N 3.48Å; T104-D123 PolarHBondContact N-OD2 2.96Å; C105-D123 WeakPolarHBondContact CA-OD2 3.5Å; C105-D123 WeakPolarHBondContact CB-OD2 3.35Å; C105-D123 PolarHBondContact N-OD1 3.25Å; C105-D123 PolarHBondContact N-OD2 3.49Å; A106-D123 WeakPolarHBondContact CB-OD1 3.3Å; A106-D123 PolarHBondContact N-OD1 3.44Å; D123-T125 PolarHBondContact O-N 3.13Å; D123-R126 WeakPolarHBondContact O-CG 3.25Å; D123-R126 PolarHBondContact O-N 3.11Å
124	C	97.1	Very high	96.4	Very high	60 Å²	60	55 Å²	55	41%	0.405	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-65.3	-16.8	-178.9	62.7	0	0	0	0	115.5	D99 Y122	D99-C124 HydrophobicContact CB-CB 3.91Å; D99-C124 WeakPolarHBondContact OD2-CB 3.43Å; D99-C124 PolarHBondContact OD2-SG 3.29Å; Y122-C124 VanDerWaalsContact C-N 3.3Å; Y122-C124 PolarHBondContact O-N 2.98Å
125	T	98	Very high	96.3	Very high	14 Å²	14	56.4 Å²	56.4	9%	0.086	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-124.4	3.7	179.3	59	0	0	0	0	113.5	A98 Y122 D123 S141 Y142 Q309	A98-T125 HydrophobicContact CB-CG2 4.41Å; Y122-T125 PolarHBondContact O-N 3.05Å; D123-T125 PolarHBondContact O-N 3.13Å; T125-S141 CarbonylContact O-C 3.26Å; T125-S141 WeakPolarHBondContact O-CA 3.2Å; T125-Y142 PolarHBondContact O-N 3.38Å; T125-Q309 WeakPolarHBondContact CB-O 3.43Å; T125-Q309 HydrophobicContact CG2-CB 4.22Å; T125-Q309 HydrophobicContact CG2-CG 4.36Å; T125-Q309 PolarHBondContact OG1-O 2.82Å
126	R	98.2	Very high	96.3	Very high	50 Å²	50	57.5 Å²	57.5	19%	0.189	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	147.2	179.8	81.9	-174.2	173.8	93.9	-4.9	111.2	L121 Y122 D123 V128 D136 A140	L121-R126 HydrophobicContact CD1-CB 3.4Å; L121-R126 HydrophobicContact CD1-CG 4.5Å; Y122-R126 PolarHBondContact O-N 3.14Å; D123-R126 WeakPolarHBondContact O-CG 3.25Å; D123-R126 PolarHBondContact O-N 3.11Å; R126-V128 HydrophobicContact CG-CG2 4.05Å; R126-D136 IonicContact CZ-OD2 3.39Å; R126-D136 IonicContact NH1-OD1 2.73Å; R126-D136 IonicContact NH1-OD2 2.66Å; R126-D136 PolarHBondContact NH1-OD2 3.01Å; R126-D136 IonicContact NH2-OD2 3.71Å; R126-D136 PolarHBondContact NH2-OD2 3.49Å; R126-A140 WeakPolarHBondContact CA-O 3.49Å
127	V	98.6	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.7	165.5	-172.5	0	0	0	0	108.2	I138 A140 Y142 I153 M169	V127-I138 HydrophobicContact CB-CG2 4.09Å; V127-I138 HydrophobicContact CG1-CG2 4.42Å; V127-A140 HydrophobicContact CB-CB 4.13Å; V127-A140 HydrophobicContact CG2-CB 3.79Å; V127-A140 PolarHBondContact N-O 2.81Å; V127-Y142 HydrophobicContact CB-CE2 4.27Å; V127-Y142 HydrophobicContact CG1-CE2 4.34Å; V127-Y142 HydrophobicContact CG2-CD1 4.38Å; V127-Y142 HydrophobicContact CG2-CD2 4.05Å; V127-Y142 HydrophobicContact CG2-CE1 4.22Å; V127-Y142 HydrophobicContact CG2-CE2 3.87Å; V127-Y142 HydrophobicContact CG2-CG 4.33Å; V127-I153 HydrophobicContact CG2-CD1 4.42Å; V127-I153 HydrophobicContact CG2-CG1 4.31Å; V127-I153 HydrophobicContact CG2-CG2 3.83Å; V127-M169 HydrophobicContact CB-SD 3.92Å; V127-M169 HydrophobicContact CG1-CG 3.91Å; V127-M169 HydrophobicContact CG1-SD 3.83Å; V127-M169 HydrophobicContact CG2-SD 3.91Å
128	V	98.5	Very high	96.5	Very high	49 Å²	49	48.7 Å²	48.7	30%	0.297	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	124.5	177.3	-173.4	0	0	0	0	107.8	R126 D136 Q172	R126-V128 HydrophobicContact CG-CG2 4.05Å; V128-D136 WeakPolarHBondContact CA-O 3.42Å; V128-D136 HydrophobicContact CG1-CB 4Å; V128-Q172 PolarHBondContact O-NE2 2.84Å; V128-Q172 PolarHBondContact O-OE1 2.83Å
129	L	98.3	Very high	96.6	Very high	8 Å²	8	43 Å²	43	4%	0.042	25%	0.251	C	S	.	.			trans	-82.5	128.3	175.4	-59.3	177.2	0	0	0	109.9	D136 I138 D165 R168 M169	L129-D136 PolarHBondContact N-O 3.36Å; L129-I138 HydrophobicContact CD1-CB 4.21Å; L129-I138 HydrophobicContact CD1-CG2 4.24Å; L129-I138 HydrophobicContact CD2-CG2 4.15Å; L129-I138 HydrophobicContact CG-CG2 4.04Å; L129-D165 HydrophobicContact CD1-CB 3.97Å; L129-R168 HydrophobicContact CD1-CB 4.27Å; L129-R168 VanDerWaalsContact CD1-NH1 3.32Å; L129-R168 HydrophobicContact CD2-CB 4.15Å; L129-M169 HydrophobicContact CD2-CB 3.91Å
130	K	97.4	Very high	96.7	Very high	151 Å²	151	42.1 Å²	42.1	66%	0.657	25%	0.247	S	C	*	.			trans	-115.8	0	-166	-59.5	169.5	-171.6	166	0	114.2	G132	K130-G132 VanDerWaalsContact C-N 3.31Å; K130-G132 PolarHBondContact O-N 3.42Å
131	D	93.1	Very high	96.9	Very high	60 Å²	60	38.5 Å²	38.5	32%	0.321	23%	0.23	S	C	.	.	S	Bend	trans	-76.8	-10.9	-174.4	59.7	21.4	0	0	0	114.7	L133 R168	D131-L133 HydrophobicContact CB-CD1 4.17Å; D131-L133 HydrophobicContact CB-CG 4.03Å; D131-L133 PolarHBondContact O-N 3.41Å; D131-L133 WeakPolarHBondContact OD1-CB 3.1Å; D131-L133 PolarHBondContact OD1-N 3.44Å; D131-R168 IonicContact OD1-CZ 3.44Å; D131-R168 IonicContact OD1-NE 3.15Å; D131-R168 PolarHBondContact OD1-NE 2.74Å; D131-R168 VanDerWaalsContact OD1-NE 3.17Å; D131-R168 IonicContact OD1-NH2 2.79Å; D131-R168 PolarHBondContact OD1-NH2 3.09Å; D131-R168 WeakPolarHBondContact OD2-CB 3.44Å; D131-R168 VanDerWaalsContact OD2-CG 3.25Å; D131-R168 WeakPolarHBondContact OD2-CG 3.45Å; D131-R168 IonicContact OD2-CZ 2.62Å; D131-R168 IonicContact OD2-NE 3.29Å; D131-R168 PolarHBondContact OD2-NE 3Å; D131-R168 IonicContact OD2-NH2 3.45Å
132	G	93.5	Very high	97	Very high	73 Å²	73	40.4 Å²	40.4	75%	0.753	24%	0.237	S	C	*	.	S	Bend	trans	70.2	4.4	-176.5	0	0	0	0	0	115.2	K130 G134	K130-G132 VanDerWaalsContact C-N 3.31Å; K130-G132 PolarHBondContact O-N 3.42Å; G132-G134 PolarHBondContact O-N 3.04Å
133	L	91.6	Very high	97.1	Very high	113 Å²	113	39.1 Å²	39.1	59%	0.592	23%	0.232	S	C	*	.	S	Bend	trans	-81	5.7	-174.8	-59.8	178.5	0	0	0	114.1	D131 A208	D131-L133 HydrophobicContact CB-CD1 4.17Å; D131-L133 HydrophobicContact CB-CG 4.03Å; D131-L133 PolarHBondContact O-N 3.41Å; D131-L133 WeakPolarHBondContact OD1-CB 3.1Å; D131-L133 PolarHBondContact OD1-N 3.44Å; L133-A208 HydrophobicContact CD1-CB 4.42Å
134	G	92.2	Very high	97.1	Very high	51 Å²	51	37.5 Å²	37.5	53%	0.526	22%	0.223	S	C	.	.	S	Bend	trans	163.4	-152.6	-176.4	0	0	0	0	0	111.2	G132	G132-G134 PolarHBondContact O-N 3.04Å
135	T	95.9	Very high	97.1	Very high	46 Å²	46	34.6 Å²	34.6	28%	0.282	20%	0.204	S	C	.	.			trans	-55.5	149.4	173.9	-174.7	0	0	0	0	112.4	L113 Y137 R168	L113-T135 HydrophobicContact CD1-CG2 3.73Å; T135-Y137 WeakPolarHBondContact CG2-O 3.43Å; T135-Y137 WeakPolarHBondContact OG1-CB 3.5Å; T135-Y137 PolarHBondContact OG1-N 2.95Å; T135-Y137 VanDerWaalsContact OG1-N 3.13Å; T135-R168 PolarHBondContact O-NH1 3.03Å; T135-R168 PolarHBondContact O-NH2 3.06Å
136	D	97.9	Very high	97.1	Very high	63 Å²	63	34 Å²	34	34%	0.337	20%	0.2	S	C	.	.	S	Bend	trans	-78.4	-8.7	170.3	85.6	-42.6	0	0	0	112.3	R126 V128 L129	R126-D136 IonicContact CZ-OD2 3.39Å; R126-D136 IonicContact NH1-OD1 2.73Å; R126-D136 IonicContact NH1-OD2 2.66Å; R126-D136 PolarHBondContact NH1-OD2 3.01Å; R126-D136 IonicContact NH2-OD2 3.71Å; R126-D136 PolarHBondContact NH2-OD2 3.49Å; V128-D136 WeakPolarHBondContact CA-O 3.42Å; V128-D136 HydrophobicContact CG1-CB 4Å; L129-D136 PolarHBondContact N-O 3.36Å
137	Y	98.5	Very high	97	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	128.6	-169.9	-176.9	-93.7	0	0	0	113.7	A106 F107 N110 L113 N114 L121 T135 H139	A106-Y137 HydrophobicContact CB-CD2 3.87Å; A106-Y137 HydrophobicContact CB-CE2 3.94Å; A106-Y137 WeakPolarHBondContact O-CE2 3.23Å; F107-Y137 WeakPolarHBondContact CA-OH 3.34Å; N110-Y137 HydrophobicContact CB-CD1 3.36Å; N110-Y137 HydrophobicContact CB-CD2 4.11Å; N110-Y137 HydrophobicContact CB-CE1 3.56Å; N110-Y137 HydrophobicContact CB-CE2 4.28Å; N110-Y137 HydrophobicContact CB-CG 3.64Å; N110-Y137 VanDerWaalsContact CG-CG 3.42Å; L113-Y137 HydrophobicContact CB-CD1 3.84Å; L113-Y137 HydrophobicContact CB-CE1 3.89Å; L113-Y137 HydrophobicContact CD1-CD1 3.79Å; L113-Y137 HydrophobicContact CG-CD1 4.45Å; N114-Y137 WeakPolarHBondContact OD1-CE1 3.43Å; N114-Y137 PolarHBondContact OD1-OH 2.94Å; L121-Y137 HydrophobicContact CD2-CE2 3.83Å; L121-Y137 VanDerWaalsContact CD2-OH 3.22Å; L121-Y137 WeakPolarHBondContact CD2-OH 3.48Å; T135-Y137 WeakPolarHBondContact CG2-O 3.43Å; T135-Y137 WeakPolarHBondContact OG1-CB 3.5Å; T135-Y137 PolarHBondContact OG1-N 2.95Å; T135-Y137 VanDerWaalsContact OG1-N 3.13Å; Y137-H139 HydrophobicContact CE1-CB 4.36Å
138	I	98.6	Very high	97	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.4	159.8	179.5	163.8	0	0	0	108.8	V127 L129 A140 D165 M169	V127-I138 HydrophobicContact CB-CG2 4.09Å; V127-I138 HydrophobicContact CG1-CG2 4.42Å; L129-I138 HydrophobicContact CD1-CB 4.21Å; L129-I138 HydrophobicContact CD1-CG2 4.24Å; L129-I138 HydrophobicContact CD2-CG2 4.15Å; L129-I138 HydrophobicContact CG-CG2 4.04Å; I138-A140 HydrophobicContact CG1-CB 4.28Å; I138-A140 HydrophobicContact CG2-CB 4.15Å; I138-A140 PolarHBondContact O-N 2.86Å; I138-D165 HydrophobicContact CB-CB 4.46Å; I138-D165 HydrophobicContact CD1-CB 4.06Å; I138-D165 WeakPolarHBondContact CD1-O 3.21Å; I138-D165 HydrophobicContact CG1-CB 4.49Å; I138-M169 HydrophobicContact CD1-CB 4.19Å; I138-M169 HydrophobicContact CD1-CE 3.89Å; I138-M169 HydrophobicContact CD1-SD 3.96Å; I138-M169 HydrophobicContact CG2-SD 3.9Å
139	H	98.6	Very high	96.9	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	57.4	-179.4	-166.1	-19.5	0	0	0	113.4	N114 I119 Q120 L121 Y137 T155 Q156 R310	N114-H139 PolarHBondContact OD1-CD2 3.34Å; I119-H139 PolarHBondContact O-NE2 3.28Å; I119-H139 VanDerWaalsContact O-NE2 3.17Å; Q120-H139 VanDerWaalsContact C-NE2 3.26Å; Q120-H139 PolarHBondContact O-NE2 3.26Å; L121-H139 VanDerWaalsContact CB-CE1 3.43Å; L121-H139 WeakPolarHBondContact CB-CE1 3.34Å; L121-H139 WeakPolarHBondContact CB-NE2 3.46Å; L121-H139 HydrophobicContact CD2-CB 4.09Å; L121-H139 WeakPolarHBondContact CD2-CE1 3.22Å; L121-H139 WeakPolarHBondContact CD2-ND1 3.38Å; Y137-H139 HydrophobicContact CE1-CB 4.36Å; H139-T155 PolarHBondContact O-OG1 2.98Å; H139-Q156 HydrophobicContact CB-CG 4.07Å; H139-Q156 PolarHBondContact CD2-OE1 3.28Å; H139-Q156 VanDerWaalsContact CD2-OE1 3.27Å; H139-Q156 PolarHBondContact O-N 3.07Å; H139-R310 PolarHBondContact CE1-NH1 3.04Å; H139-R310 PolarHBondContact CE1-NH2 3.23Å; H139-R310 PolarHBondContact ND1-NH1 3.16Å; H139-R310 PolarHBondContact ND1-NH2 2.93Å; H139-R310 VanDerWaalsContact ND1-NH2 3.2Å; H139-R310 PolarHBondContact NE2-NH2 3.46Å; H139-R310 PolarHBondContact O-NH1 3.31Å; H139-R310 PolarHBondContact O-NH2 2.92Å
140	A	98.7	Very high	96.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	146.6	-177.2	0	0	0	0	0	110.5	R126 V127 I138 I153 L154 M169	R126-A140 WeakPolarHBondContact CA-O 3.49Å; V127-A140 HydrophobicContact CB-CB 4.13Å; V127-A140 HydrophobicContact CG2-CB 3.79Å; V127-A140 PolarHBondContact N-O 2.81Å; I138-A140 HydrophobicContact CG1-CB 4.28Å; I138-A140 HydrophobicContact CG2-CB 4.15Å; I138-A140 PolarHBondContact O-N 2.86Å; A140-I153 HydrophobicContact CB-CG2 3.73Å; A140-L154 WeakPolarHBondContact CA-O 3.21Å; A140-M169 HydrophobicContact CB-CE 3.94Å; A140-M169 HydrophobicContact CB-SD 3.48Å; A140-M169 WeakPolarHBondContact CB-SD 3.45Å
141	S	98.7	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.1	174	-46.2	0	0	0	0	110.7	T125 I153 L154 R310	T125-S141 CarbonylContact O-C 3.26Å; T125-S141 WeakPolarHBondContact O-CA 3.2Å; S141-I153 WeakPolarHBondContact O-CA 3.48Å; S141-L154 PolarHBondContact N-O 2.91Å; S141-L154 PolarHBondContact O-N 3.22Å; S141-R310 VanDerWaalsContact OG-CD 3.3Å; S141-R310 WeakPolarHBondContact OG-CD 3.08Å; S141-R310 PolarHBondContact OG-NH1 3.07Å
142	Y	98.7	Very high	97.2	Very high	40 Å²	40	25.7 Å²	25.7	16%	0.157	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139	167.8	-65	-74.3	0	0	0	110.4	T125 V127 Y152 I153 E173	T125-Y142 PolarHBondContact O-N 3.38Å; V127-Y142 HydrophobicContact CB-CE2 4.27Å; V127-Y142 HydrophobicContact CG1-CE2 4.34Å; V127-Y142 HydrophobicContact CG2-CD1 4.38Å; V127-Y142 HydrophobicContact CG2-CD2 4.05Å; V127-Y142 HydrophobicContact CG2-CE1 4.22Å; V127-Y142 HydrophobicContact CG2-CE2 3.87Å; V127-Y142 HydrophobicContact CG2-CG 4.33Å; Y142-Y152 WeakPolarHBondContact CA-O 3.14Å; Y142-I153 HydrophobicContact CD1-CD1 4.31Å; Y142-I153 HydrophobicContact CD1-CG1 3.79Å; Y142-I153 HydrophobicContact CE1-CD1 3.98Å; Y142-I153 HydrophobicContact CE1-CG1 3.99Å; Y142-E173 WeakPolarHBondContact CE1-OE2 3.5Å; Y142-E173 PolarHBondContact OH-OE1 3.41Å; Y142-E173 PolarHBondContact OH-OE2 2.81Å
143	V	98.6	Very high	97.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.7	174.3	176.1	0	0	0	0	108.4	S150 A151 Y152 L154 V306 Q309 R310	V143-S150 CarbonylContact O-C 3.3Å; V143-A151 PolarHBondContact O-N 3.31Å; V143-Y152 HydrophobicContact CB-CD2 4.45Å; V143-Y152 HydrophobicContact CG1-CD2 4.29Å; V143-Y152 PolarHBondContact N-O 3.38Å; V143-Y152 PolarHBondContact O-N 3.45Å; V143-L154 HydrophobicContact CB-CD1 4.47Å; V143-L154 HydrophobicContact CB-CG 4.25Å; V143-L154 HydrophobicContact CG2-CB 4.39Å; V143-L154 HydrophobicContact CG2-CD1 3.78Å; V143-L154 HydrophobicContact CG2-CG 3.71Å; V143-V306 HydrophobicContact CG1-CB 4.31Å; V143-V306 HydrophobicContact CG1-CG1 3.98Å; V143-V306 HydrophobicContact CG1-CG2 3.85Å; V143-Q309 HydrophobicContact CG2-CB 4.04Å; V143-R310 HydrophobicContact CG2-CB 3.96Å
144	D	98.5	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	150.2	179	-68.5	-2.4	0	0	0	110.5	S60 V61 H62 K149 S150 I286 Q309	S60-D144 WeakPolarHBondContact CA-OD2 3.36Å; V61-D144 HydrophobicContact CG2-CB 4.04Å; V61-D144 PolarHBondContact N-OD2 3.3Å; H62-D144 PolarHBondContact CD2-O 3.43Å; D144-K149 WeakPolarHBondContact OD1-CD 3.34Å; D144-K149 VanDerWaalsContact OD1-CE 3.25Å; D144-K149 WeakPolarHBondContact OD1-CE 3.35Å; D144-K149 IonicContact OD1-NZ 3.82Å; D144-K149 PolarHBondContact OD1-NZ 2.91Å; D144-K149 WeakPolarHBondContact OD2-CE 3.33Å; D144-K149 IonicContact OD2-NZ 2.76Å; D144-K149 PolarHBondContact OD2-NZ 3.11Å; D144-S150 PolarHBondContact OD1-N 3.49Å; D144-I286 WeakPolarHBondContact O-CD1 3.41Å; D144-Q309 PolarHBondContact OD1-NE2 2.93Å
145	G	97.8	Very high	98.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	173.7	169.7	0	0	0	0	0	111.4	S60 K147 Q148 A151	S60-G145 PolarHBondContact OG-O 3.43Å; G145-K147 PolarHBondContact O-N 3.47Å; G145-K147 VanDerWaalsContact O-N 3.09Å; G145-Q148 PolarHBondContact N-O 3.42Å; G145-Q148 PolarHBondContact O-N 3.2Å; G145-Q148 VanDerWaalsContact O-N 3.09Å; G145-Q148 VanDerWaalsContact O-O 3.13Å; G145-A151 VanDerWaalsContact CA-CB 3.48Å; G145-A151 VanDerWaalsContact N-CB 3.25Å
146	Y	97.4	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	119.2	175	180	-114.5	0	0	0	110.6	A52 Y55 H62 P64 Q148 D289 M290 H293	A52-Y146 HydrophobicContact CB-CD1 4.27Å; A52-Y146 HydrophobicContact CB-CE1 4.06Å; Y55-Y146 HydrophobicContact CD2-CD1 4.02Å; Y55-Y146 HydrophobicContact CE2-CD1 4.43Å; H62-Y146 WeakPolarHBondContact O-CA 3.37Å; H62-Y146 VanDerWaalsContact O-CD2 3.28Å; H62-Y146 WeakPolarHBondContact O-CD2 3.49Å; P64-Y146 HydrophobicContact CG-CE2 4.13Å; P64-Y146 WeakPolarHBondContact CG-OH 3.42Å; Y146-Q148 PolarHBondContact O-N 2.8Å; Y146-Q148 VanDerWaalsContact O-N 3.09Å; Y146-D289 HydrophobicContact CD1-CB 3.56Å; Y146-D289 HydrophobicContact CE1-CB 4.35Å; Y146-D289 HydrophobicContact CG-CB 3.92Å; Y146-M290 HydrophobicContact CD2-CB 4.44Å; Y146-M290 HydrophobicContact CD2-CG 3.31Å; Y146-M290 HydrophobicContact CD2-SD 4.38Å; Y146-M290 HydrophobicContact CE2-CB 4.35Å; Y146-M290 HydrophobicContact CE2-CG 3.53Å; Y146-M290 HydrophobicContact CG-CG 3.98Å; Y146-H293 HydrophobicContact CE1-CB 3.96Å; Y146-H293 AromaticContact CE1-ND1 3.41Å; Y146-H293 WeakPolarHBondContact CE1-ND1 3.47Å; Y146-H293 AromaticContact CZ-ND1 3.66Å; Y146-H293 PolarHBondContact OH-ND1 3.37Å
147	K	96.9	Very high	98.1	Very high	27 Å²	27	9.6 Å²	9.6	12%	0.117	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	34.9	-174.5	-54.3	-172.9	76.8	-166.8	0	114.4	Y55 D57 H62 P64 G145 H261	Y55-K147 WeakPolarHBondContact O-CE 3.14Å; Y55-K147 PolarHBondContact O-NZ 3.4Å; D57-K147 VanDerWaalsContact CB-O 3.29Å; D57-K147 WeakPolarHBondContact CB-O 3.43Å; D57-K147 PolarHBondContact N-O 2.89Å; H62-K147 PolarHBondContact O-N 2.6Å; P64-K147 HydrophobicContact CG-CD 4.4Å; G145-K147 PolarHBondContact O-N 3.47Å; G145-K147 VanDerWaalsContact O-N 3.09Å; K147-H261 PolarHBondContact O-NE2 2.73Å
148	Q	97	Very high	98.1	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.033	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	118	172.8	179.6	175.3	19.6	0	0	111.1	G145 Y146 A151 H261 G264	G145-Q148 PolarHBondContact N-O 3.42Å; G145-Q148 PolarHBondContact O-N 3.2Å; G145-Q148 VanDerWaalsContact O-N 3.09Å; G145-Q148 VanDerWaalsContact O-O 3.13Å; Y146-Q148 PolarHBondContact O-N 2.8Å; Y146-Q148 VanDerWaalsContact O-N 3.09Å; Q148-A151 HydrophobicContact CB-CB 3.86Å; Q148-A151 HydrophobicContact CG-CB 3.64Å; Q148-H261 VanDerWaalsContact CD-ND1 3.28Å; Q148-H261 HydrophobicContact CG-CB 4.23Å; Q148-G264 PolarHBondContact NE2-O 3.32Å
149	K	97.4	Very high	98	Very high	79 Å²	79	10.5 Å²	10.5	34%	0.343	5%	0.052	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140	170	-165.5	78.5	-161	165.2	0	110.1	D57 K59 D144 A151	D57-K149 WeakPolarHBondContact OD2-CB 3.37Å; D57-K149 PolarHBondContact OD2-N 3.43Å; K59-K149 HydrophobicContact CB-CB 4.45Å; K59-K149 HydrophobicContact CB-CD 3.91Å; K59-K149 HydrophobicContact CB-CG 4.5Å; K59-K149 WeakPolarHBondContact O-CD 3.47Å; K59-K149 PolarHBondContact O-NZ 2.83Å; D144-K149 WeakPolarHBondContact OD1-CD 3.34Å; D144-K149 VanDerWaalsContact OD1-CE 3.25Å; D144-K149 WeakPolarHBondContact OD1-CE 3.35Å; D144-K149 IonicContact OD1-NZ 3.82Å; D144-K149 PolarHBondContact OD1-NZ 2.91Å; D144-K149 WeakPolarHBondContact OD2-CE 3.33Å; D144-K149 IonicContact OD2-NZ 2.76Å; D144-K149 PolarHBondContact OD2-NZ 3.11Å; K149-A151 PolarHBondContact O-N 3.06Å
150	S	97.5	Very high	97.9	Very high	32 Å²	32	19.5 Å²	19.5	22%	0.224	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52	33.1	175.7	-59.5	0	0	0	0	113.9	V143 D144 Y152 P266	V143-S150 CarbonylContact O-C 3.3Å; D144-S150 PolarHBondContact OD1-N 3.49Å; S150-Y152 PolarHBondContact O-N 2.95Å; S150-Y152 VanDerWaalsContact O-N 3.12Å; S150-P266 VanDerWaalsContact O-CB 3.31Å; S150-P266 WeakPolarHBondContact O-CB 3.21Å; S150-P266 WeakPolarHBondContact O-CG 3.33Å
151	A	97.9	Very high	97.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	-25.4	-177.1	0	0	0	0	0	113.7	V143 G145 Q148 K149 P266 M267	V143-A151 PolarHBondContact O-N 3.31Å; G145-A151 VanDerWaalsContact CA-CB 3.48Å; G145-A151 VanDerWaalsContact N-CB 3.25Å; Q148-A151 HydrophobicContact CB-CB 3.86Å; Q148-A151 HydrophobicContact CG-CB 3.64Å; K149-A151 PolarHBondContact O-N 3.06Å; A151-P266 WeakPolarHBondContact O-CA 3.35Å; A151-M267 PolarHBondContact O-N 3.15Å
152	Y	98.5	Very high	97.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	155.1	178	-42.2	-83.1	0	0	0	111.6	Y142 V143 S150 M267 V269 A282 D285 I286	Y142-Y152 WeakPolarHBondContact CA-O 3.14Å; V143-Y152 HydrophobicContact CB-CD2 4.45Å; V143-Y152 HydrophobicContact CG1-CD2 4.29Å; V143-Y152 PolarHBondContact N-O 3.38Å; V143-Y152 PolarHBondContact O-N 3.45Å; S150-Y152 PolarHBondContact O-N 2.95Å; S150-Y152 VanDerWaalsContact O-N 3.12Å; Y152-M267 CarbonylContact C-O 3.51Å; Y152-M267 WeakPolarHBondContact CA-O 3.25Å; Y152-M267 HydrophobicContact CD1-CB 4.21Å; Y152-M267 HydrophobicContact CD1-SD 4.47Å; Y152-V269 HydrophobicContact CD1-CG2 4.13Å; Y152-A282 HydrophobicContact CD1-CB 4.4Å; Y152-A282 HydrophobicContact CD2-CB 4.07Å; Y152-A282 HydrophobicContact CE2-CB 4.17Å; Y152-A282 HydrophobicContact CG-CB 4.19Å; Y152-D285 VanDerWaalsContact CE1-OD2 3.24Å; Y152-D285 WeakPolarHBondContact CE1-OD2 3.41Å; Y152-D285 PolarHBondContact OH-OD2 2.76Å; Y152-I286 HydrophobicContact CE2-CD1 4.01Å; Y152-I286 HydrophobicContact CE2-CG1 3.95Å
153	I	98.7	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108	162.5	-67	168.7	0	0	0	107.4	V127 A140 S141 Y142 M169 E173 P266 M267 I268 V269	V127-I153 HydrophobicContact CG2-CD1 4.42Å; V127-I153 HydrophobicContact CG2-CG1 4.31Å; V127-I153 HydrophobicContact CG2-CG2 3.83Å; A140-I153 HydrophobicContact CB-CG2 3.73Å; S141-I153 WeakPolarHBondContact O-CA 3.48Å; Y142-I153 HydrophobicContact CD1-CD1 4.31Å; Y142-I153 HydrophobicContact CD1-CG1 3.79Å; Y142-I153 HydrophobicContact CE1-CD1 3.98Å; Y142-I153 HydrophobicContact CE1-CG1 3.99Å; I153-M169 HydrophobicContact CG2-CE 3.73Å; I153-M169 HydrophobicContact CG2-SD 3.7Å; I153-E173 HydrophobicContact CD1-CB 3.88Å; I153-E173 HydrophobicContact CD1-CG 3.71Å; I153-P266 HydrophobicContact CD1-CB 3.83Å; I153-P266 HydrophobicContact CD1-CG 4.39Å; I153-P266 HydrophobicContact CG1-CB 3.89Å; I153-M267 PolarHBondContact N-O 3.42Å; I153-I268 HydrophobicContact CB-CG1 4Å; I153-I268 HydrophobicContact CD1-CG1 4.38Å; I153-I268 HydrophobicContact CG2-CG1 4.27Å; I153-I268 CarbonylContact O-C 3.11Å; I153-I268 WeakPolarHBondContact O-CA 3.44Å; I153-V269 PolarHBondContact O-N 2.92Å
154	L	98.7	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.1	177.3	-56.5	-165.3	0	0	0	109.3	A140 S141 V143 V269 A279 A282 V306 R310	A140-L154 WeakPolarHBondContact CA-O 3.21Å; S141-L154 PolarHBondContact N-O 2.91Å; S141-L154 PolarHBondContact O-N 3.22Å; V143-L154 HydrophobicContact CB-CD1 4.47Å; V143-L154 HydrophobicContact CB-CG 4.25Å; V143-L154 HydrophobicContact CG2-CB 4.39Å; V143-L154 HydrophobicContact CG2-CD1 3.78Å; V143-L154 HydrophobicContact CG2-CG 3.71Å; L154-V269 HydrophobicContact CD2-CB 3.77Å; L154-V269 HydrophobicContact CD2-CG2 4.41Å; L154-A279 HydrophobicContact CD1-CB 4.19Å; L154-A282 HydrophobicContact CD2-CB 4.25Å; L154-V306 HydrophobicContact CD1-CG1 4.46Å; L154-R310 HydrophobicContact CB-CG 4.14Å; L154-R310 HydrophobicContact CD1-CB 4.21Å; L154-R310 HydrophobicContact CD1-CG 4.19Å; L154-R310 VanDerWaalsContact O-CZ 3.23Å; L154-R310 PolarHBondContact O-NH1 3.35Å; L154-R310 VanDerWaalsContact O-NH1 3.13Å
155	T	98.7	Very high	97.2	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.025	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	161.5	-175.7	-170.4	0	0	0	0	112.5	H139 M169 I268 V269 H270 G274	H139-T155 PolarHBondContact O-OG1 2.98Å; T155-M169 HydrophobicContact CG2-CE 4.24Å; T155-I268 HydrophobicContact CG2-CG2 3.65Å; T155-V269 PolarHBondContact N-O 3.08Å; T155-H270 HydrophobicContact CG2-CB 3.66Å; T155-H270 WeakPolarHBondContact O-CA 3.48Å; T155-H270 WeakPolarHBondContact O-CB 3.38Å; T155-G274 WeakPolarHBondContact O-CA 3.48Å
156	Q	98.3	Very high	97.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.019	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-68.6	161.7	170.7	71.3	-177.7	9.1	0	0	111.2	L113 R115 H139 P158 S272	L113-Q156 PolarHBondContact O-NE2 3.28Å; R115-Q156 VanDerWaalsContact CB-OE1 3.3Å; H139-Q156 HydrophobicContact CB-CG 4.07Å; H139-Q156 PolarHBondContact CD2-OE1 3.28Å; H139-Q156 VanDerWaalsContact CD2-OE1 3.27Å; H139-Q156 PolarHBondContact O-N 3.07Å; Q156-P158 WeakPolarHBondContact O-CD 3.49Å; Q156-S272 WeakPolarHBondContact CA-O 3.37Å; Q156-S272 WeakPolarHBondContact CB-O 3.37Å
157	G	97.3	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-67.2	122	167.1	0	0	0	0	0	109.5	R115 T159 H270 C271 S272	R115-G157 VanDerWaalsContact CZ-O 3.29Å; R115-G157 PolarHBondContact NE-O 3.25Å; R115-G157 PolarHBondContact NH2-O 3.02Å; G157-T159 PolarHBondContact O-N 3.39Å; G157-H270 WeakPolarHBondContact CA-ND1 3.09Å; G157-C271 VanDerWaalsContact CA-O 3.25Å; G157-C271 WeakPolarHBondContact CA-O 3.43Å; G157-C271 PolarHBondContact N-O 3.2Å; G157-S272 PolarHBondContact N-O 3.45Å
158	P	97.1	Very high	97	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.019	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-49.3	134.6	-174.1	-29.7	32.3	0	0	0	113.2	R115 Q156 T162 I163 L166 A193 Y195	R115-P158 PolarHBondContact NH2-O 3.37Å; Q156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-T162 WeakPolarHBondContact CA-OG1 3.38Å; P158-I163 HydrophobicContact CB-CG1 4.43Å; P158-L166 HydrophobicContact CG-CB 4.15Å; P158-L166 HydrophobicContact CG-CD2 3.41Å; P158-L166 VanDerWaalsContact CG-CD2 3.41Å; P158-L166 HydrophobicContact CG-CG 4.25Å; P158-A193 WeakPolarHBondContact O-CB 3.21Å; P158-A193 PolarHBondContact O-N 3.21Å; P158-Y195 HydrophobicContact CG-CD1 3.98Å; P158-Y195 HydrophobicContact CG-CG 4.05Å
159	T	97.1	Very high	97	Very high	22 Å²	22	26.3 Å²	26.3	14%	0.135	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-84.7	168.3	165.6	51.5	0	0	0	0	109	R115 G157 N161 T162 I163	R115-T159 HydrophobicContact CB-CG2 3.95Å; R115-T159 HydrophobicContact CG-CG2 4.31Å; G157-T159 PolarHBondContact O-N 3.39Å; T159-N161 VanDerWaalsContact CB-OD1 3.29Å; T159-N161 WeakPolarHBondContact CB-OD1 3.2Å; T159-N161 PolarHBondContact O-N 2.88Å; T159-N161 VanDerWaalsContact O-N 3.16Å; T159-N161 PolarHBondContact OG1-OD1 3Å; T159-T162 PolarHBondContact N-OG1 3.43Å; T159-T162 PolarHBondContact O-N 3.4Å; T159-T162 VanDerWaalsContact OG1-CG2 3.31Å; T159-T162 WeakPolarHBondContact OG1-CG2 3.39Å; T159-T162 PolarHBondContact OG1-OG1 2.62Å; T159-I163 VanDerWaalsContact O-CG1 3.25Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 2.83Å
160	K	95.4	Very high	96.9	Very high	192 Å²	192	23.4 Å²	23.4	84%	0.835	12%	0.121	S	C	*	.	G	3₁₀ helix	trans	-54.3	-36.9	-178.5	-70.4	-175.2	177.7	-178.5	0	112.8
161	N	95.4	Very high	96.6	Very high	84 Å²	84	31.3 Å²	31.3	45%	0.449	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-84.8	-9.7	-179.3	60.5	-37	0	0	0	114.7	S112 T159	S112-N161 PolarHBondContact O-ND2 2.85Å; T159-N161 VanDerWaalsContact CB-OD1 3.29Å; T159-N161 WeakPolarHBondContact CB-OD1 3.2Å; T159-N161 PolarHBondContact O-N 2.88Å; T159-N161 VanDerWaalsContact O-N 3.16Å; T159-N161 PolarHBondContact OG1-OD1 3Å
162	T	97.2	Very high	96.5	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.037	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-111.4	15.6	177.5	75.3	0	0	0	0	112.9	L113 P158 T159 L166	L113-T162 HydrophobicContact CB-CG2 4.11Å; L113-T162 HydrophobicContact CD2-CG2 3.94Å; P158-T162 WeakPolarHBondContact CA-OG1 3.38Å; T159-T162 PolarHBondContact N-OG1 3.43Å; T159-T162 PolarHBondContact O-N 3.4Å; T159-T162 VanDerWaalsContact OG1-CG2 3.31Å; T159-T162 WeakPolarHBondContact OG1-CG2 3.39Å; T159-T162 PolarHBondContact OG1-OG1 2.62Å; T162-L166 PolarHBondContact O-N 3.31Å; T162-L166 VanDerWaalsContact O-N 3.13Å
163	I	95.7	Very high	96.4	Very high	19 Å²	19	34.9 Å²	34.9	10%	0.097	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-45.6	178.5	-56.5	-176.1	0	0	0	109.6	P158 T159 D165 L166 W167 A193 M204 L206	P158-I163 HydrophobicContact CB-CG1 4.43Å; T159-I163 VanDerWaalsContact O-CG1 3.25Å; T159-I163 WeakPolarHBondContact O-CG1 3.42Å; T159-I163 PolarHBondContact O-N 2.83Å; I163-D165 VanDerWaalsContact C-N 3.34Å; I163-D165 PolarHBondContact O-N 2.95Å; I163-L166 PolarHBondContact O-N 3.35Å; I163-W167 VanDerWaalsContact O-CD1 3.29Å; I163-W167 PolarHBondContact O-N 3.01Å; I163-A193 HydrophobicContact CD1-CB 4.11Å; I163-M204 HydrophobicContact CG2-CE 4.18Å; I163-M204 HydrophobicContact CG2-SD 4.5Å; I163-L206 HydrophobicContact CB-CD1 4.47Å; I163-L206 HydrophobicContact CB-CD2 4.47Å; I163-L206 HydrophobicContact CG2-CD1 3.57Å; I163-L206 HydrophobicContact CG2-CD2 4Å; I163-L206 HydrophobicContact CG2-CG 4.46Å
164	A	94.7	Very high	96.3	Very high	37 Å²	37	40.9 Å²	40.9	31%	0.306	19%	0.189	S	C	.	.	H	α-helix	trans	-59.4	-45.5	175.6	0	0	0	0	0	111.2	L166 W167 R168	A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.85Å; A164-W167 PolarHBondContact O-N 2.86Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.2Å
165	D	96.8	Very high	96	Very high	14 Å²	14	41.6 Å²	41.6	8%	0.075	19%	0.193	C	C	.	.	H	α-helix	trans	-61	-36.5	178.3	-54.5	-44.1	0	0	0	113.3	L129 I138 I163 W167 R168 M169	L129-D165 HydrophobicContact CD1-CB 3.97Å; I138-D165 HydrophobicContact CB-CB 4.46Å; I138-D165 HydrophobicContact CD1-CB 4.06Å; I138-D165 WeakPolarHBondContact CD1-O 3.21Å; I138-D165 HydrophobicContact CG1-CB 4.49Å; I163-D165 VanDerWaalsContact C-N 3.34Å; I163-D165 PolarHBondContact O-N 2.95Å; D165-W167 VanDerWaalsContact C-N 3.35Å; D165-R168 IonicContact OD1-CZ 3.17Å; D165-R168 IonicContact OD1-NH1 2.71Å; D165-R168 PolarHBondContact OD1-NH1 3.39Å; D165-M169 WeakPolarHBondContact O-CB 3.24Å; D165-M169 PolarHBondContact O-N 3.49Å
166	L	96.6	Very high	95.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-45.8	172.2	175	66.2	0	0	0	110.8	P158 T162 I163 A164 M169 V170 Y195 I268	P158-L166 HydrophobicContact CG-CB 4.15Å; P158-L166 HydrophobicContact CG-CD2 3.41Å; P158-L166 VanDerWaalsContact CG-CD2 3.41Å; P158-L166 HydrophobicContact CG-CG 4.25Å; T162-L166 PolarHBondContact O-N 3.31Å; T162-L166 VanDerWaalsContact O-N 3.13Å; I163-L166 PolarHBondContact O-N 3.35Å; A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.85Å; L166-M169 HydrophobicContact CD1-CE 3.82Å; L166-M169 WeakPolarHBondContact O-CB 3.5Å; L166-M169 PolarHBondContact O-N 3.09Å; L166-V170 HydrophobicContact CD1-CG2 4.29Å; L166-V170 HydrophobicContact CG-CG2 4.32Å; L166-V170 VanDerWaalsContact O-CG2 3.27Å; L166-V170 WeakPolarHBondContact O-CG2 3.49Å; L166-V170 PolarHBondContact O-N 3.49Å; L166-Y195 HydrophobicContact CD2-CD1 4.47Å; L166-Y195 HydrophobicContact CD2-CD2 3.32Å; L166-Y195 HydrophobicContact CD2-CE2 3.69Å; L166-Y195 HydrophobicContact CD2-CG 3.78Å; L166-I268 HydrophobicContact CD1-CD1 4.08Å
167	W	94.7	Very high	95.3	Very high	44 Å²	44	42.8 Å²	42.8	17%	0.167	20%	0.2	C	C	.	.	H	α-helix	trans	-73.3	-33.2	-178.1	-73	104.3	0	0	0	113	I163 A164 D165 M169 V170 W171 Y195 F196 L206 F209 I211	I163-W167 VanDerWaalsContact O-CD1 3.29Å; I163-W167 PolarHBondContact O-N 3.01Å; A164-W167 PolarHBondContact O-N 2.86Å; D165-W167 VanDerWaalsContact C-N 3.35Å; W167-M169 VanDerWaalsContact C-N 3.32Å; W167-M169 PolarHBondContact O-N 2.63Å; W167-V170 HydrophobicContact CE3-CB 4.04Å; W167-V170 HydrophobicContact CE3-CG1 3.82Å; W167-V170 HydrophobicContact CE3-CG2 4.24Å; W167-V170 HydrophobicContact CZ3-CB 4.49Å; W167-V170 HydrophobicContact CZ3-CG1 3.87Å; W167-V170 PolarHBondContact O-N 3.06Å; W167-W171 WeakPolarHBondContact O-CB 3.44Å; W167-W171 PolarHBondContact O-N 3.26Å; W167-Y195 HydrophobicContact CZ2-CD2 4.33Å; W167-Y195 PolarHBondContact NE1-O 3.49Å; W167-F196 HydrophobicContact CZ2-CB 4.41Å; W167-L206 HydrophobicContact CB-CD1 4.49Å; W167-L206 HydrophobicContact CG-CD1 4.13Å; W167-F209 HydrophobicContact CB-CG 4.34Å; W167-I211 HydrophobicContact CD2-CD1 4.17Å; W167-I211 HydrophobicContact CD2-CG1 3.76Å; W167-I211 HydrophobicContact CE3-CG1 4.03Å; W167-I211 HydrophobicContact CG-CD1 4.04Å; W167-I211 HydrophobicContact CG-CG1 4.18Å; W167-I211 HydrophobicContact CH2-CG1 4.39Å; W167-I211 HydrophobicContact CH2-CG2 3.77Å; W167-I211 HydrophobicContact CZ2-CG1 4.14Å; W167-I211 HydrophobicContact CZ2-CG2 3.74Å; W167-I211 HydrophobicContact CZ3-CG1 4.33Å; W167-I211 HydrophobicContact CZ3-CG2 4.32Å
168	R	96	Very high	95.1	Very high	10 Å²	10	43.6 Å²	43.6	4%	0.038	20%	0.204	C	C	.	.	H	α-helix	trans	-54	-48.6	165.4	-68.6	168.5	65.1	-150.4	3.4	110.6	L129 D131 T135 A164 D165 W171 Q172 F209	L129-R168 HydrophobicContact CD1-CB 4.27Å; L129-R168 VanDerWaalsContact CD1-NH1 3.32Å; L129-R168 HydrophobicContact CD2-CB 4.15Å; D131-R168 IonicContact OD1-CZ 3.44Å; D131-R168 IonicContact OD1-NE 3.15Å; D131-R168 PolarHBondContact OD1-NE 2.74Å; D131-R168 VanDerWaalsContact OD1-NE 3.17Å; D131-R168 IonicContact OD1-NH2 2.79Å; D131-R168 PolarHBondContact OD1-NH2 3.09Å; D131-R168 WeakPolarHBondContact OD2-CB 3.44Å; D131-R168 VanDerWaalsContact OD2-CG 3.25Å; D131-R168 WeakPolarHBondContact OD2-CG 3.45Å; D131-R168 IonicContact OD2-CZ 2.62Å; D131-R168 IonicContact OD2-NE 3.29Å; D131-R168 PolarHBondContact OD2-NE 3Å; D131-R168 IonicContact OD2-NH2 3.45Å; T135-R168 PolarHBondContact O-NH1 3.03Å; T135-R168 PolarHBondContact O-NH2 3.06Å; A164-R168 WeakPolarHBondContact O-CG 3.32Å; A164-R168 PolarHBondContact O-N 3.2Å; D165-R168 IonicContact OD1-CZ 3.17Å; D165-R168 IonicContact OD1-NH1 2.71Å; D165-R168 PolarHBondContact OD1-NH1 3.39Å; R168-W171 PolarHBondContact O-N 3.2Å; R168-Q172 WeakPolarHBondContact O-CB 3.38Å; R168-Q172 PolarHBondContact O-N 3.03Å; R168-F209 HydrophobicContact CB-CE2 4.48Å; R168-F209 HydrophobicContact CG-CE2 3.59Å; R168-F209 HydrophobicContact CG-CZ 4.02Å
169	M	97.3	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-45.2	176.6	-171.9	171.9	70.1	0	0	113.3	V127 L129 I138 A140 I153 T155 D165 L166 W167 W171 Q172 E173 I268	V127-M169 HydrophobicContact CB-SD 3.92Å; V127-M169 HydrophobicContact CG1-CG 3.91Å; V127-M169 HydrophobicContact CG1-SD 3.83Å; V127-M169 HydrophobicContact CG2-SD 3.91Å; L129-M169 HydrophobicContact CD2-CB 3.91Å; I138-M169 HydrophobicContact CD1-CB 4.19Å; I138-M169 HydrophobicContact CD1-CE 3.89Å; I138-M169 HydrophobicContact CD1-SD 3.96Å; I138-M169 HydrophobicContact CG2-SD 3.9Å; A140-M169 HydrophobicContact CB-CE 3.94Å; A140-M169 HydrophobicContact CB-SD 3.48Å; A140-M169 WeakPolarHBondContact CB-SD 3.45Å; I153-M169 HydrophobicContact CG2-CE 3.73Å; I153-M169 HydrophobicContact CG2-SD 3.7Å; T155-M169 HydrophobicContact CG2-CE 4.24Å; D165-M169 WeakPolarHBondContact O-CB 3.24Å; D165-M169 PolarHBondContact O-N 3.49Å; L166-M169 HydrophobicContact CD1-CE 3.82Å; L166-M169 WeakPolarHBondContact O-CB 3.5Å; L166-M169 PolarHBondContact O-N 3.09Å; W167-M169 VanDerWaalsContact C-N 3.32Å; W167-M169 PolarHBondContact O-N 2.63Å; M169-W171 VanDerWaalsContact C-N 3.28Å; M169-W171 PolarHBondContact O-N 3.09Å; M169-Q172 PolarHBondContact O-N 2.8Å; M169-E173 HydrophobicContact CG-CG 4.22Å; M169-E173 WeakPolarHBondContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CG 3.41Å; M169-E173 PolarHBondContact O-N 3.37Å; M169-I268 HydrophobicContact CE-CD1 3.71Å; M169-I268 HydrophobicContact CE-CG1 4.14Å
170	V	94.4	Very high	94.7	Very high	18 Å²	18	42.5 Å²	42.5	11%	0.109	20%	0.198	C	C	.	.	H	α-helix	trans	-56.1	-45.5	177.1	165.1	0	0	0	0	110.7	L166 W167 K174 V175 I178 I268	L166-V170 HydrophobicContact CD1-CG2 4.29Å; L166-V170 HydrophobicContact CG-CG2 4.32Å; L166-V170 VanDerWaalsContact O-CG2 3.27Å; L166-V170 WeakPolarHBondContact O-CG2 3.49Å; L166-V170 PolarHBondContact O-N 3.49Å; W167-V170 HydrophobicContact CE3-CB 4.04Å; W167-V170 HydrophobicContact CE3-CG1 3.82Å; W167-V170 HydrophobicContact CE3-CG2 4.24Å; W167-V170 HydrophobicContact CZ3-CB 4.49Å; W167-V170 HydrophobicContact CZ3-CG1 3.87Å; W167-V170 PolarHBondContact O-N 3.06Å; V170-K174 PolarHBondContact O-N 3.4Å; V170-V175 HydrophobicContact CG1-CB 4.25Å; V170-V175 PolarHBondContact O-N 3.46Å; V170-I178 HydrophobicContact CG2-CD1 3.79Å; V170-I178 HydrophobicContact CG2-CG1 4.29Å; V170-I268 HydrophobicContact CG2-CD1 3.55Å
171	W	92.4	Very high	94.4	Very high	199 Å²	199	33.8 Å²	33.8	75%	0.754	16%	0.16	S	C	*	.	H	α-helix	trans	-67.1	-52.3	178.9	-174.7	-96.4	0	0	0	112.1	W167 R168 M169 E173 K174 F209	W167-W171 WeakPolarHBondContact O-CB 3.44Å; W167-W171 PolarHBondContact O-N 3.26Å; R168-W171 PolarHBondContact O-N 3.2Å; M169-W171 VanDerWaalsContact C-N 3.28Å; M169-W171 PolarHBondContact O-N 3.09Å; W171-E173 VanDerWaalsContact C-N 3.31Å; W171-E173 PolarHBondContact O-N 2.96Å; W171-K174 PolarHBondContact O-N 3.45Å; W171-K174 VanDerWaalsContact O-N 3.14Å; W171-F209 HydrophobicContact CB-CE1 3.83Å; W171-F209 HydrophobicContact CB-CZ 4.4Å; W171-F209 HydrophobicContact CD2-CE1 4.38Å; W171-F209 AromaticContact CG-CE1 3.99Å; W171-F209 HydrophobicContact CG-CE1 3.99Å
172	Q	96.3	Very high	94	Very high	46 Å²	46	29.8 Å²	29.8	22%	0.215	14%	0.138	C	C	.	.	H	α-helix	trans	-55.5	-45.2	-179.5	-175.2	-177.3	-76.4	0	0	112.2	V128 R168 M169 K174	V128-Q172 PolarHBondContact O-NE2 2.84Å; V128-Q172 PolarHBondContact O-OE1 2.83Å; R168-Q172 WeakPolarHBondContact O-CB 3.38Å; R168-Q172 PolarHBondContact O-N 3.03Å; M169-Q172 PolarHBondContact O-N 2.8Å; Q172-K174 VanDerWaalsContact C-N 3.3Å; Q172-K174 PolarHBondContact O-N 2.93Å
173	E	96.1	Very high	93.5	Very high	28 Å²	28	30.9 Å²	30.9	13%	0.131	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	7.1	-175.1	-54.4	-60.9	128.7	0	0	112.8	Y142 I153 M169 W171 V175	Y142-E173 WeakPolarHBondContact CE1-OE2 3.5Å; Y142-E173 PolarHBondContact OH-OE1 3.41Å; Y142-E173 PolarHBondContact OH-OE2 2.81Å; I153-E173 HydrophobicContact CD1-CB 3.88Å; I153-E173 HydrophobicContact CD1-CG 3.71Å; M169-E173 HydrophobicContact CG-CG 4.22Å; M169-E173 WeakPolarHBondContact O-CB 3.25Å; M169-E173 WeakPolarHBondContact O-CG 3.41Å; M169-E173 PolarHBondContact O-N 3.37Å; W171-E173 VanDerWaalsContact C-N 3.31Å; W171-E173 PolarHBondContact O-N 2.96Å; E173-V175 HydrophobicContact CB-CG2 3.79Å; E173-V175 PolarHBondContact O-N 2.76Å
174	K	95.1	Very high	93.3	Very high	127 Å²	127	32.6 Å²	32.6	55%	0.552	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	36.3	178.7	-56.9	177.9	180	179.6	0	113.2	V170 W171 Q172 V176 L255 W258 P265	V170-K174 PolarHBondContact O-N 3.4Å; W171-K174 PolarHBondContact O-N 3.45Å; W171-K174 VanDerWaalsContact O-N 3.14Å; Q172-K174 VanDerWaalsContact C-N 3.3Å; Q172-K174 PolarHBondContact O-N 2.93Å; K174-V176 PolarHBondContact O-N 3.09Å; K174-L255 HydrophobicContact CB-CD1 4.38Å; K174-W258 HydrophobicContact CD-CZ3 4.21Å; K174-P265 HydrophobicContact CB-CB 4.35Å; K174-P265 WeakPolarHBondContact O-CB 3.45Å; K174-P265 WeakPolarHBondContact O-CG 3.41Å
175	V	93.6	Very high	93.1	Very high	15 Å²	15	37.7 Å²	37.7	9%	0.091	17%	0.173	C	C	.	.			trans	-68.2	117.5	-168.4	177.9	0	0	0	0	110.9	V170 E173 N177 I178 I268	V170-V175 HydrophobicContact CG1-CB 4.25Å; V170-V175 PolarHBondContact O-N 3.46Å; E173-V175 HydrophobicContact CB-CG2 3.79Å; E173-V175 PolarHBondContact O-N 2.76Å; V175-N177 WeakPolarHBondContact CG1-O 3.28Å; V175-I178 HydrophobicContact CG1-CG1 4.28Å; V175-I268 HydrophobicContact CB-CD1 4.18Å; V175-I268 HydrophobicContact CB-CG1 4.48Å; V175-I268 HydrophobicContact CG1-CB 4.35Å; V175-I268 HydrophobicContact CG1-CD1 3.94Å; V175-I268 HydrophobicContact CG1-CG1 3.94Å; V175-I268 HydrophobicContact CG2-CD1 3.8Å; V175-I268 HydrophobicContact CG2-CG1 3.92Å
176	V	91.2	Very high	92.7	Very high	14 Å²	14	39.3 Å²	39.3	9%	0.085	18%	0.18	C	C	.	.	S	Bend	trans	-86.3	-22.3	178.5	-57.6	0	0	0	0	113.5	K174 R247 M250 V251 I254 L255 P265	K174-V176 PolarHBondContact O-N 3.09Å; V176-R247 HydrophobicContact CG2-CG 3.95Å; V176-M250 HydrophobicContact CB-CB 4.06Å; V176-M250 HydrophobicContact CG2-CB 4.34Å; V176-V251 HydrophobicContact CG1-CG2 4.42Å; V176-V251 HydrophobicContact CG2-CG2 3.95Å; V176-I254 HydrophobicContact CB-CD1 4.01Å; V176-I254 HydrophobicContact CB-CG1 4.36Å; V176-I254 HydrophobicContact CG1-CD1 3.78Å; V176-I254 HydrophobicContact CG1-CG1 3.93Å; V176-L255 HydrophobicContact CG1-CD1 3.41Å; V176-L255 VanDerWaalsContact CG1-CD1 3.41Å; V176-L255 HydrophobicContact CG1-CG 3.98Å; V176-P265 HydrophobicContact CG1-CG 3.82Å; V176-P265 HydrophobicContact CG2-CG 4.31Å
177	N	90.7	Very high	92.4	Very high	18 Å²	18	48.7 Å²	48.7	10%	0.096	22%	0.221	C	C	.	.			trans	-146.3	132.2	176.5	75.7	-45.5	0	0	0	112.2	V175 R247 I268	V175-N177 WeakPolarHBondContact CG1-O 3.28Å; N177-R247 WeakPolarHBondContact OD1-CD 3.25Å; N177-R247 WeakPolarHBondContact OD1-CG 3.5Å; N177-I268 PolarHBondContact O-N 2.88Å
178	I	93.7	Very high	92.1	Very high	17 Å²	17	55.6 Å²	55.6	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	162	164.9	-58.4	165.9	0	0	0	106.7	V170 V175 Y195 L226 I268	V170-I178 HydrophobicContact CG2-CD1 3.79Å; V170-I178 HydrophobicContact CG2-CG1 4.29Å; V175-I178 HydrophobicContact CG1-CG1 4.28Å; I178-Y195 HydrophobicContact CD1-CE2 4.02Å; I178-L226 HydrophobicContact CB-CD1 3.46Å; I178-L226 VanDerWaalsContact CB-CD1 3.46Å; I178-L226 HydrophobicContact CG2-CD1 3.78Å; I178-L226 WeakPolarHBondContact O-CD1 3.48Å; I178-L226 WeakPolarHBondContact O-CD2 3.34Å; I178-I268 CarbonylContact C-O 3.35Å; I178-I268 VanDerWaalsContact C-O 3.3Å; I178-I268 WeakPolarHBondContact CA-O 3.49Å; I178-I268 HydrophobicContact CB-CB 4.34Å; I178-I268 HydrophobicContact CG1-CB 4.09Å; I178-I268 HydrophobicContact CG1-CD1 4.16Å; I178-I268 HydrophobicContact CG1-CG2 4.47Å; I178-I268 HydrophobicContact CG2-CB 4.19Å; I178-I268 HydrophobicContact CG2-CG2 3.89Å
179	V	92.2	Very high	92	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	102.8	170	-176.1	0	0	0	0	108.1	L181 F239 I243 M267 I268 V269 H270 F281	V179-L181 HydrophobicContact CG1-CD2 3.88Å; V179-L181 HydrophobicContact CG1-CG 4.04Å; V179-F239 HydrophobicContact CG1-CE1 4.31Å; V179-F239 HydrophobicContact CG1-CZ 4.33Å; V179-I243 HydrophobicContact CG2-CG2 3.7Å; V179-M267 HydrophobicContact CG2-CG 3.86Å; V179-M267 HydrophobicContact CG2-SD 3.5Å; V179-M267 VanDerWaalsContact CG2-SD 3.5Å; V179-I268 PolarHBondContact N-O 3.34Å; V179-V269 HydrophobicContact CB-CB 4.42Å; V179-V269 HydrophobicContact CB-CG1 4.18Å; V179-V269 HydrophobicContact CB-CG2 4.17Å; V179-V269 HydrophobicContact CG1-CG1 4.38Å; V179-V269 HydrophobicContact CG2-CG2 4.36Å; V179-V269 CarbonylContact O-C 3.49Å; V179-V269 WeakPolarHBondContact O-CA 3.49Å; V179-H270 PolarHBondContact O-N 3.49Å; V179-F281 HydrophobicContact CG1-CE2 4.22Å; V179-F281 HydrophobicContact CG1-CZ 4.24Å; V179-F281 HydrophobicContact CG2-CZ 4.39Å
180	M	92.6	Very high	91.8	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.4	173.3	-178.5	175.7	167.7	0	0	108.9	T182 F184 C192 Y195 F196 L226 V227 H270	M180-T182 HydrophobicContact CE-CG2 4.03Å; M180-T182 WeakPolarHBondContact CE-O 3.09Å; M180-T182 HydrophobicContact CG-CG2 4.15Å; M180-F184 HydrophobicContact CE-CD1 3.79Å; M180-F184 HydrophobicContact CE-CE1 3.61Å; M180-F184 HydrophobicContact CE-CG 4.41Å; M180-F184 HydrophobicContact CE-CZ 4.1Å; M180-F184 HydrophobicContact SD-CE1 4.34Å; M180-C192 HydrophobicContact CE-CB 3.8Å; M180-Y195 HydrophobicContact SD-CE1 3.65Å; M180-F196 HydrophobicContact SD-CE1 4.04Å; M180-L226 HydrophobicContact CB-CB 3.94Å; M180-V227 HydrophobicContact CB-CG2 3.48Å; M180-V227 VanDerWaalsContact CB-CG2 3.48Å; M180-V227 HydrophobicContact CE-CG2 4.35Å; M180-V227 HydrophobicContact CG-CG2 3.27Å; M180-V227 WeakPolarHBondContact O-CG2 3.19Å; M180-V227 HydrophobicContact SD-CG2 3.98Å; M180-H270 CarbonylContact C-O 3.59Å; M180-H270 WeakPolarHBondContact CB-NE2 3.21Å; M180-H270 WeakPolarHBondContact CG-CE1 3.41Å
181	L	89.9	Confident	91.9	Very high	8 Å²	8	66 Å²	66	4%	0.042	31%	0.306	C	S	.	.			trans	-127.9	39	-176.2	-61.1	171.6	0	0	0	111	V179 F239 V269 H270 C271 R277 F281	V179-L181 HydrophobicContact CG1-CD2 3.88Å; V179-L181 HydrophobicContact CG1-CG 4.04Å; L181-F239 HydrophobicContact CD2-CE1 4.03Å; L181-V269 HydrophobicContact CD1-CG1 3.71Å; L181-H270 WeakPolarHBondContact CB-O 3.45Å; L181-H270 PolarHBondContact N-O 3.42Å; L181-C271 HydrophobicContact CB-CB 4.11Å; L181-R277 HydrophobicContact CB-CB 4.03Å; L181-R277 HydrophobicContact CD1-CB 4.28Å; L181-R277 WeakPolarHBondContact CD1-O 3.15Å; L181-R277 WeakPolarHBondContact O-CD 3.32Å; L181-R277 PolarHBondContact O-NE 2.89Å; L181-R277 PolarHBondContact O-NH1 3.38Å; L181-F281 HydrophobicContact CD1-CB 3.61Å; L181-F281 HydrophobicContact CD1-CD2 4.36Å; L181-F281 HydrophobicContact CD1-CG 4.08Å; L181-F281 HydrophobicContact CD2-CD2 4.41Å
182	T	87.3	Confident	92	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-156.1	151.9	-179.2	-173.5	0	0	0	0	109.5	M180 E186 K191 C192 V227 C271 R277	M180-T182 HydrophobicContact CE-CG2 4.03Å; M180-T182 WeakPolarHBondContact CE-O 3.09Å; M180-T182 HydrophobicContact CG-CG2 4.15Å; T182-E186 VanDerWaalsContact CA-OE1 3.32Å; T182-E186 WeakPolarHBondContact CA-OE1 3.41Å; T182-E186 VanDerWaalsContact OG1-CD 3.3Å; T182-E186 PolarHBondContact OG1-OE1 3.06Å; T182-E186 VanDerWaalsContact OG1-OE1 3.08Å; T182-E186 PolarHBondContact OG1-OE2 3.16Å; T182-K191 HydrophobicContact CG2-CB 4.35Å; T182-K191 WeakPolarHBondContact OG1-CB 3.02Å; T182-C192 HydrophobicContact CG2-CB 3.96Å; T182-V227 VanDerWaalsContact O-CG2 3.3Å; T182-V227 WeakPolarHBondContact O-CG2 3.43Å; T182-C271 VanDerWaalsContact CG2-C 3.48Å; T182-C271 VanDerWaalsContact CG2-O 3.3Å; T182-C271 WeakPolarHBondContact CG2-O 3.25Å; T182-R277 PolarHBondContact OG1-NH2 3.39Å; T182-R277 VanDerWaalsContact OG1-NH2 3.09Å
183	G	86.1	Confident	91.9	Very high	29 Å²	29	55.1 Å²	55.1	30%	0.299	27%	0.266	S	S	.	.			trans	-70.5	168.4	159.5	0	0	0	0	0	111.3	F185 E186 K191	G183-F185 VanDerWaalsContact C-N 3.28Å; G183-E186 PolarHBondContact N-OE1 2.77Å; G183-K191 WeakPolarHBondContact O-CB 3.49Å
184	F	90.9	Very high	91.7	Very high	55 Å²	55	58 Å²	58	24%	0.241	28%	0.281	C	S	.	.	S	Bend	trans	-64.1	-37.5	167.9	-59.8	-65.4	0	0	0	111.5	M180 K191 C192 A193 M194 F196	M180-F184 HydrophobicContact CE-CD1 3.79Å; M180-F184 HydrophobicContact CE-CE1 3.61Å; M180-F184 HydrophobicContact CE-CG 4.41Å; M180-F184 HydrophobicContact CE-CZ 4.1Å; M180-F184 HydrophobicContact SD-CE1 4.34Å; F184-K191 PolarHBondContact O-N 3.37Å; F184-C192 HydrophobicContact CD1-CB 4.22Å; F184-C192 PolarHBondContact O-N 3.21Å; F184-A193 WeakPolarHBondContact CD1-O 3.36Å; F184-A193 WeakPolarHBondContact CE1-O 3.27Å; F184-M194 HydrophobicContact CD2-CE 3.93Å; F184-M194 HydrophobicContact CE1-CB 4.33Å; F184-M194 HydrophobicContact CE1-CE 4.33Å; F184-M194 HydrophobicContact CE1-SD 3.89Å; F184-M194 HydrophobicContact CE2-CE 3.39Å; F184-M194 HydrophobicContact CE2-SD 3.76Å; F184-M194 HydrophobicContact CZ-CE 3.63Å; F184-M194 HydrophobicContact CZ-SD 3.31Å; F184-M194 WeakPolarHBondContact CZ-SD 3.29Å; F184-F196 HydrophobicContact CE1-CE1 4.2Å; F184-F196 AromaticContact CZ-CE1 3.86Å; F184-F196 HydrophobicContact CZ-CE1 3.86Å; F184-F196 AromaticContact CZ-CZ 3.8Å; F184-F196 HydrophobicContact CZ-CZ 3.8Å
185	F	91.2	Very high	91.5	Very high	144 Å²	144	52.1 Å²	52.1	63%	0.632	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	140.3	172.4	-65.2	-93.2	0	0	0	109.8	G183 K189	G183-F185 VanDerWaalsContact C-N 3.28Å; F185-K189 WeakPolarHBondContact CA-O 3.24Å
186	E	88.5	Confident	91.3	Very high	48 Å²	48	52.6 Å²	52.6	22%	0.224	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	125.1	173.6	-61.9	177.3	159.8	0	0	108.5	T182 G183 H188 K189 K191 R277	T182-E186 VanDerWaalsContact CA-OE1 3.32Å; T182-E186 WeakPolarHBondContact CA-OE1 3.41Å; T182-E186 VanDerWaalsContact OG1-CD 3.3Å; T182-E186 PolarHBondContact OG1-OE1 3.06Å; T182-E186 VanDerWaalsContact OG1-OE1 3.08Å; T182-E186 PolarHBondContact OG1-OE2 3.16Å; G183-E186 PolarHBondContact N-OE1 2.77Å; E186-H188 VanDerWaalsContact C-N 3.29Å; E186-H188 PolarHBondContact O-N 3.19Å; E186-K189 PolarHBondContact N-O 3.49Å; E186-K189 PolarHBondContact O-N 3.08Å; E186-K189 VanDerWaalsContact O-N 3.08Å; E186-K191 HydrophobicContact CB-CD 4.47Å; E186-K191 HydrophobicContact CB-CG 3.8Å; E186-K191 HydrophobicContact CG-CG 3.78Å; E186-R277 VanDerWaalsContact CD-NH1 3.31Å; E186-R277 IonicContact OE1-CZ 2.75Å; E186-R277 IonicContact OE1-NH1 3.92Å; E186-R277 PolarHBondContact OE1-NH1 2.96Å; E186-R277 IonicContact OE1-NH2 2.71Å; E186-R277 PolarHBondContact OE1-NH2 3.08Å; E186-R277 IonicContact OE2-CZ 3.19Å; E186-R277 IonicContact OE2-NH1 2.62Å; E186-R277 PolarHBondContact OE2-NH1 3.01Å; E186-R277 VanDerWaalsContact OE2-NH1 3.15Å; E186-R277 IonicContact OE2-NH2 3.71Å; E186-R277 PolarHBondContact OE2-NH2 3.32Å
187	K	89.7	Confident	90.8	Very high	200 Å²	200	52.2 Å²	52.2	87%	0.87	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	51.1	-173.2	-55.5	-172.2	178.7	-168.5	0	111.8	K189	K187-K189 PolarHBondContact O-N 2.68Å
188	H	89.7	Confident	90.2	Very high	189 Å²	189	52.9 Å²	52.9	88%	0.875	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-0	-176.1	-50.1	-81.3	0	0	0	117	E186	E186-H188 VanDerWaalsContact C-N 3.29Å; E186-H188 PolarHBondContact O-N 3.19Å
189	K	92.3	Very high	89.2	Confident	149 Å²	149	56.4 Å²	56.4	65%	0.648	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.2	177.8	-64.5	-174.8	178.9	-172.5	0	110.4	F185 E186 K187 K191	F185-K189 WeakPolarHBondContact CA-O 3.24Å; E186-K189 PolarHBondContact N-O 3.49Å; E186-K189 PolarHBondContact O-N 3.08Å; E186-K189 VanDerWaalsContact O-N 3.08Å; K187-K189 PolarHBondContact O-N 2.68Å; K189-K191 PolarHBondContact O-N 2.61Å
190	S	94.8	Very high	88.2	Confident	55 Å²	55	63.8 Å²	63.8	39%	0.385	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.2	170.8	177.9	0	0	0	0	110.1
191	K	95	Very high	87.2	Confident	42 Å²	42	72.2 Å²	72.2	18%	0.183	35%	0.352	C	S	.	.			trans	-117.2	-28.8	179.3	-60.9	-57.4	-171.3	177.3	0	113.3	R115 T182 G183 F184 E186 K189 S272	R115-K191 VanDerWaalsContact CZ-O 3.27Å; R115-K191 PolarHBondContact NE-O 2.94Å; T182-K191 HydrophobicContact CG2-CB 4.35Å; T182-K191 WeakPolarHBondContact OG1-CB 3.02Å; G183-K191 WeakPolarHBondContact O-CB 3.49Å; F184-K191 PolarHBondContact O-N 3.37Å; E186-K191 HydrophobicContact CB-CD 4.47Å; E186-K191 HydrophobicContact CB-CG 3.8Å; E186-K191 HydrophobicContact CG-CG 3.78Å; K189-K191 PolarHBondContact O-N 2.61Å; K191-S272 VanDerWaalsContact CA-OG 3.22Å; K191-S272 WeakPolarHBondContact CA-OG 3.35Å; K191-S272 WeakPolarHBondContact CD-OG 3.41Å; K191-S272 WeakPolarHBondContact O-CA 3.4Å; K191-S272 PolarHBondContact O-OG 3.48Å
192	C	95.1	Very high	86.2	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.007	38%	0.378	C	S	.	.			trans	-152.7	144.8	179.6	-169.2	0	0	0	0	108.9	M180 T182 F184 H270	M180-C192 HydrophobicContact CE-CB 3.8Å; T182-C192 HydrophobicContact CG2-CB 3.96Å; F184-C192 HydrophobicContact CD1-CB 4.22Å; F184-C192 PolarHBondContact O-N 3.21Å; C192-H270 VanDerWaalsContact SG-CE1 3.56Å
193	A	94.4	Very high	85.6	Confident	16 Å²	16	82.1 Å²	82.1	13%	0.132	40%	0.399	C	S	.	.			trans	-78.1	159.5	164.6	0	0	0	0	0	110.3	P158 I163 F184 Y195	P158-A193 WeakPolarHBondContact O-CB 3.21Å; P158-A193 PolarHBondContact O-N 3.21Å; I163-A193 HydrophobicContact CD1-CB 4.11Å; F184-A193 WeakPolarHBondContact CD1-O 3.36Å; F184-A193 WeakPolarHBondContact CE1-O 3.27Å; A193-Y195 PolarHBondContact O-N 3.28Å; A193-Y195 VanDerWaalsContact O-N 3.15Å
194	M	91.3	Very high	85.4	Confident	88 Å²	88	82.1 Å²	82.1	43%	0.433	39%	0.391	S	S	.	.			trans	-69.5	104.8	166.5	-173.7	72.1	70.2	0	0	108	F184 T198	F184-M194 HydrophobicContact CD2-CE 3.93Å; F184-M194 HydrophobicContact CE1-CB 4.33Å; F184-M194 HydrophobicContact CE1-CE 4.33Å; F184-M194 HydrophobicContact CE1-SD 3.89Å; F184-M194 HydrophobicContact CE2-CE 3.39Å; F184-M194 HydrophobicContact CE2-SD 3.76Å; F184-M194 HydrophobicContact CZ-CE 3.63Å; F184-M194 HydrophobicContact CZ-SD 3.31Å; F184-M194 WeakPolarHBondContact CZ-SD 3.29Å; M194-T198 HydrophobicContact CE-CG2 3.95Å; M194-T198 HydrophobicContact SD-CG2 3.56Å; M194-T198 VanDerWaalsContact SD-CG2 3.56Å
195	Y	91.6	Very high	85	Confident	3 Å²	3	84.9 Å²	84.9	1%	0.012	41%	0.408	C	S	.	.			trans	-109	3.8	-176.2	69.8	-93.5	0	0	0	113.3	P158 L166 W167 I178 M180 A193 M204 H270	P158-Y195 HydrophobicContact CG-CD1 3.98Å; P158-Y195 HydrophobicContact CG-CG 4.05Å; L166-Y195 HydrophobicContact CD2-CD1 4.47Å; L166-Y195 HydrophobicContact CD2-CD2 3.32Å; L166-Y195 HydrophobicContact CD2-CE2 3.69Å; L166-Y195 HydrophobicContact CD2-CG 3.78Å; W167-Y195 HydrophobicContact CZ2-CD2 4.33Å; W167-Y195 PolarHBondContact NE1-O 3.49Å; I178-Y195 HydrophobicContact CD1-CE2 4.02Å; M180-Y195 HydrophobicContact SD-CE1 3.65Å; A193-Y195 PolarHBondContact O-N 3.28Å; A193-Y195 VanDerWaalsContact O-N 3.15Å; Y195-M204 WeakPolarHBondContact O-CE 3.26Å; Y195-H270 AromaticContact CE1-CE1 3.69Å; Y195-H270 AromaticContact CE1-NE2 3.3Å; Y195-H270 VanDerWaalsContact CE1-NE2 3.3Å; Y195-H270 WeakPolarHBondContact CE1-NE2 3.38Å; Y195-H270 AromaticContact CZ-NE2 3.43Å; Y195-H270 PolarHBondContact OH-NE2 3.39Å; Y195-H270 VanDerWaalsContact OH-NE2 3.15Å
196	F	88.4	Confident	84.5	Confident	26 Å²	26	79.9 Å²	79.9	11%	0.114	39%	0.388	C	S	.	.	S	Bend	trans	-137.3	155.6	178.9	56.7	-88.2	0	0	0	110.6	W167 M180 F184	W167-F196 HydrophobicContact CZ2-CB 4.41Å; M180-F196 HydrophobicContact SD-CE1 4.04Å; F184-F196 HydrophobicContact CE1-CE1 4.2Å; F184-F196 AromaticContact CZ-CE1 3.86Å; F184-F196 HydrophobicContact CZ-CE1 3.86Å; F184-F196 AromaticContact CZ-CZ 3.8Å; F184-F196 HydrophobicContact CZ-CZ 3.8Å
197	P	80.7	Confident	84.1	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.032	41%	0.41	C	S	.	.			trans	-71.5	151.8	178.1	-7.5	24.4	0	0	0	111.1	R201 K202 M204 I211 L213	P197-R201 CarbonylContact C-O 3.59Å; P197-R201 VanDerWaalsContact CA-O 3.26Å; P197-R201 WeakPolarHBondContact CA-O 3.5Å; P197-R201 WeakPolarHBondContact CB-O 3.42Å; P197-K202 VanDerWaalsContact CB-C 3.41Å; P197-K202 WeakPolarHBondContact CB-O 2.96Å; P197-M204 HydrophobicContact CG-CB 4.18Å; P197-I211 HydrophobicContact CG-CB 4.24Å; P197-I211 HydrophobicContact CG-CG2 3.84Å; P197-I211 WeakPolarHBondContact CG-O 2.94Å; P197-L213 HydrophobicContact CB-CB 4.09Å
198	T	78	Confident	83.6	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.202	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-121.5	173.5	180	62.6	0	0	0	0	110.5	M194 N200 R201 K202	M194-T198 HydrophobicContact CE-CG2 3.95Å; M194-T198 HydrophobicContact SD-CG2 3.56Å; M194-T198 VanDerWaalsContact SD-CG2 3.56Å; T198-N200 PolarHBondContact O-N 3.17Å; T198-N200 VanDerWaalsContact O-N 3.1Å; T198-R201 PolarHBondContact N-O 3.31Å; T198-R201 CarbonylContact O-C 2.97Å; T198-R201 PolarHBondContact O-N 3.44Å; T198-K202 PolarHBondContact O-N 3.27Å
199	T	73.7	Confident	82.9	Confident	90 Å²	90	67.8 Å²	67.8	55%	0.552	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-34.9	174.9	49.1	0	0	0	0	113.2	M216	T199-M216 HydrophobicContact CG2-SD 3.83Å
200	N	71.9	Confident	82.3	Confident	156 Å²	156	66.9 Å²	66.9	83%	0.834	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.8	-179.9	-62.2	1.3	0	0	0	113.5	T198	T198-N200 PolarHBondContact O-N 3.17Å; T198-N200 VanDerWaalsContact O-N 3.1Å
201	R	71	Confident	81.6	Confident	180 Å²	180	65.1 Å²	65.1	68%	0.679	35%	0.349	S	S	*	.	B	Isolated β-bridge	trans	-148	83.4	177.4	-177.3	-175.3	-67.3	-156.6	-3.4	108	P197 T198 N203	P197-R201 CarbonylContact C-O 3.59Å; P197-R201 VanDerWaalsContact CA-O 3.26Å; P197-R201 WeakPolarHBondContact CA-O 3.5Å; P197-R201 WeakPolarHBondContact CB-O 3.42Å; T198-R201 PolarHBondContact N-O 3.31Å; T198-R201 CarbonylContact O-C 2.97Å; T198-R201 PolarHBondContact O-N 3.44Å; R201-N203 VanDerWaalsContact C-N 3.28Å; R201-N203 PolarHBondContact O-N 3.45Å
202	K	69.2	Low	80.5	Confident	133 Å²	133	65.4 Å²	65.4	58%	0.578	36%	0.356	S	S	*	.			trans	-65.5	-25.5	-169.5	-66.5	-173.5	177.7	-177.1	0	114.8	P197 T198 S212 L213	P197-K202 VanDerWaalsContact CB-C 3.41Å; P197-K202 WeakPolarHBondContact CB-O 2.96Å; T198-K202 PolarHBondContact O-N 3.27Å; K202-S212 CarbonylContact O-C 3.59Å; K202-S212 WeakPolarHBondContact O-CA 3.25Å; K202-L213 PolarHBondContact O-N 2.66Å
203	N	74.8	Confident	79.7	Confident	83 Å²	83	67.3 Å²	67.3	44%	0.444	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.8	-175.9	-55.4	-22.6	0	0	0	111	R201 F210 I211 S212	R201-N203 VanDerWaalsContact C-N 3.28Å; R201-N203 PolarHBondContact O-N 3.45Å; N203-F210 HydrophobicContact CB-CE1 4.34Å; N203-F210 HydrophobicContact CB-CE2 4Å; N203-F210 HydrophobicContact CB-CZ 3.65Å; N203-I211 CarbonylContact C-O 3.48Å; N203-I211 WeakPolarHBondContact CA-O 3.38Å; N203-S212 PolarHBondContact OD1-OG 3.11Å
204	M	80.9	Confident	78.5	Confident	29 Å²	29	69.8 Å²	69.8	14%	0.143	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126	174	-174.6	178.6	63.2	0	0	109.7	I163 Y195 P197 L206 I211	I163-M204 HydrophobicContact CG2-CE 4.18Å; I163-M204 HydrophobicContact CG2-SD 4.5Å; Y195-M204 WeakPolarHBondContact O-CE 3.26Å; P197-M204 HydrophobicContact CG-CB 4.18Å; M204-L206 HydrophobicContact CE-CD1 3.68Å; M204-L206 HydrophobicContact CE-CD2 4.38Å; M204-L206 HydrophobicContact CE-CG 4.07Å; M204-L206 HydrophobicContact CG-CD2 4.27Å; M204-L206 HydrophobicContact CG-CG 4.32Å; M204-L206 HydrophobicContact SD-CD2 4.27Å; M204-I211 HydrophobicContact CE-CB 4.42Å; M204-I211 HydrophobicContact CE-CD1 4.07Å; M204-I211 PolarHBondContact N-O 3.32Å; M204-I211 PolarHBondContact O-N 3.44Å
205	N	83.3	Confident	77.4	Confident	112 Å²	112	66.4 Å²	66.4	60%	0.599	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.7	176.4	-177.3	-24.6	0	0	0	109.5	G207 F210	N205-G207 PolarHBondContact OD1-N 3Å; N205-G207 PolarHBondContact OD1-O 3.33Å; N205-F210 HydrophobicContact CB-CD2 4.44Å
206	L	80.9	Confident	76.3	Confident	40 Å²	40	68.1 Å²	68.1	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	52.3	177.2	-58.6	175.9	0	0	0	110.6	I163 W167 M204 A208 F209 I211	I163-L206 HydrophobicContact CB-CD1 4.47Å; I163-L206 HydrophobicContact CB-CD2 4.47Å; I163-L206 HydrophobicContact CG2-CD1 3.57Å; I163-L206 HydrophobicContact CG2-CD2 4Å; I163-L206 HydrophobicContact CG2-CG 4.46Å; W167-L206 HydrophobicContact CB-CD1 4.49Å; W167-L206 HydrophobicContact CG-CD1 4.13Å; M204-L206 HydrophobicContact CE-CD1 3.68Å; M204-L206 HydrophobicContact CE-CD2 4.38Å; M204-L206 HydrophobicContact CE-CG 4.07Å; M204-L206 HydrophobicContact CG-CD2 4.27Å; M204-L206 HydrophobicContact CG-CG 4.32Å; M204-L206 HydrophobicContact SD-CD2 4.27Å; L206-A208 PolarHBondContact O-N 2.91Å; L206-F209 HydrophobicContact CB-CB 4.42Å; L206-F209 PolarHBondContact N-O 2.84Å; L206-I211 HydrophobicContact CB-CD1 4.47Å; L206-I211 HydrophobicContact CD1-CD1 3.68Å; L206-I211 HydrophobicContact CG-CD1 4.06Å
207	G	79.9	Confident	75.3	Confident	66 Å²	66	68.5 Å²	68.5	68%	0.68	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	-107.6	-177.5	0	0	0	0	0	110.8	N205 F209	N205-G207 PolarHBondContact OD1-N 3Å; N205-G207 PolarHBondContact OD1-O 3.33Å; G207-F209 PolarHBondContact O-N 3.34Å
208	A	77.6	Confident	74.5	Confident	82 Å²	82	72.5 Å²	72.5	68%	0.678	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-18.3	178.9	0	0	0	0	0	113.9	L133 L206	L133-A208 HydrophobicContact CD1-CB 4.42Å; L206-A208 PolarHBondContact O-N 2.91Å
209	F	76.9	Confident	73.4	Confident	35 Å²	35	73.1 Å²	73.1	15%	0.154	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.9	-176.8	-57.9	-84.3	0	0	0	112	W167 R168 W171 L206 G207 I211	W167-F209 HydrophobicContact CB-CG 4.34Å; R168-F209 HydrophobicContact CB-CE2 4.48Å; R168-F209 HydrophobicContact CG-CE2 3.59Å; R168-F209 HydrophobicContact CG-CZ 4.02Å; W171-F209 HydrophobicContact CB-CE1 3.83Å; W171-F209 HydrophobicContact CB-CZ 4.4Å; W171-F209 HydrophobicContact CD2-CE1 4.38Å; W171-F209 AromaticContact CG-CE1 3.99Å; W171-F209 HydrophobicContact CG-CE1 3.99Å; L206-F209 HydrophobicContact CB-CB 4.42Å; L206-F209 PolarHBondContact N-O 2.84Å; G207-F209 PolarHBondContact O-N 3.34Å; F209-I211 HydrophobicContact CB-CD1 3.73Å
210	F	78.8	Confident	72.6	Confident	129 Å²	129	74.2 Å²	74.2	57%	0.566	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.5	167.1	-172.2	-101	0	0	0	109	N203 N205 S212	N203-F210 HydrophobicContact CB-CE1 4.34Å; N203-F210 HydrophobicContact CB-CE2 4Å; N203-F210 HydrophobicContact CB-CZ 3.65Å; N205-F210 HydrophobicContact CB-CD2 4.44Å; F210-S212 WeakPolarHBondContact CE1-OG 3.49Å
211	I	80.4	Confident	71.4	Confident	18 Å²	18	69.5 Å²	69.5	9%	0.092	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.9	-178.3	-55.9	89.5	0	0	0	108.6	W167 P197 N203 M204 L206 F209	W167-I211 HydrophobicContact CD2-CD1 4.17Å; W167-I211 HydrophobicContact CD2-CG1 3.76Å; W167-I211 HydrophobicContact CE3-CG1 4.03Å; W167-I211 HydrophobicContact CG-CD1 4.04Å; W167-I211 HydrophobicContact CG-CG1 4.18Å; W167-I211 HydrophobicContact CH2-CG1 4.39Å; W167-I211 HydrophobicContact CH2-CG2 3.77Å; W167-I211 HydrophobicContact CZ2-CG1 4.14Å; W167-I211 HydrophobicContact CZ2-CG2 3.74Å; W167-I211 HydrophobicContact CZ3-CG1 4.33Å; W167-I211 HydrophobicContact CZ3-CG2 4.32Å; P197-I211 HydrophobicContact CG-CB 4.24Å; P197-I211 HydrophobicContact CG-CG2 3.84Å; P197-I211 WeakPolarHBondContact CG-O 2.94Å; N203-I211 CarbonylContact C-O 3.48Å; N203-I211 WeakPolarHBondContact CA-O 3.38Å; M204-I211 HydrophobicContact CE-CB 4.42Å; M204-I211 HydrophobicContact CE-CD1 4.07Å; M204-I211 PolarHBondContact N-O 3.32Å; M204-I211 PolarHBondContact O-N 3.44Å; L206-I211 HydrophobicContact CB-CD1 4.47Å; L206-I211 HydrophobicContact CD1-CD1 3.68Å; L206-I211 HydrophobicContact CG-CD1 4.06Å; F209-I211 HydrophobicContact CB-CD1 3.73Å
212	S	72.5	Confident	69.7	Low	49 Å²	49	61.6 Å²	61.6	34%	0.343	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141	179	-55.3	0	0	0	0	110.9	K202 N203 F210 V214	K202-S212 CarbonylContact O-C 3.59Å; K202-S212 WeakPolarHBondContact O-CA 3.25Å; N203-S212 PolarHBondContact OD1-OG 3.11Å; F210-S212 WeakPolarHBondContact CE1-OG 3.49Å; S212-V214 PolarHBondContact O-N 3.35Å
213	L	77.5	Confident	68.3	Low	40 Å²	40	58.1 Å²	58.1	21%	0.209	35%	0.348	C	S	.	.			trans	-79	103.4	168	-178.7	67.6	0	0	0	108.8	P197 K202 D215 M216	P197-L213 HydrophobicContact CB-CB 4.09Å; K202-L213 PolarHBondContact O-N 2.66Å; L213-D215 VanDerWaalsContact CD1-O 3.31Å; L213-D215 WeakPolarHBondContact CD1-O 3.34Å; L213-M216 HydrophobicContact CD1-CB 4.24Å; L213-M216 HydrophobicContact CD1-CE 3.93Å; L213-M216 HydrophobicContact CD2-CB 4.25Å; L213-M216 HydrophobicContact CD2-CE 3.66Å; L213-M216 HydrophobicContact CD2-SD 4.28Å; L213-M216 HydrophobicContact CG-CE 4.46Å
214	V	68.6	Low	66.8	Low	69 Å²	69	55.6 Å²	55.6	42%	0.418	33%	0.334	S	S	.	.			trans	-83.6	-41	-178.8	-167.4	0	0	0	0	112	V33 L37 W39 S212	V33-V214 VanDerWaalsContact CG1-O 3.27Å; V33-V214 WeakPolarHBondContact CG1-O 3.22Å; L37-V214 HydrophobicContact CD1-CG1 4.13Å; W39-V214 HydrophobicContact CE3-CG1 3.88Å; W39-V214 HydrophobicContact CH2-CB 4.49Å; W39-V214 HydrophobicContact CH2-CG1 3.52Å; W39-V214 HydrophobicContact CZ2-CG1 4.29Å; W39-V214 HydrophobicContact CZ3-CB 4.04Å; W39-V214 HydrophobicContact CZ3-CG1 3.27Å; S212-V214 PolarHBondContact O-N 3.35Å
215	D	68.2	Low	65.1	Low	16 Å²	16	55.1 Å²	55.1	9%	0.086	34%	0.335	C	S	.	.			trans	-150	161.9	171.5	-163.9	10.7	0	0	0	110.4	L42 L213	L42-D215 HydrophobicContact CD2-CB 4.25Å; L42-D215 HydrophobicContact CG-CB 4.47Å; L213-D215 VanDerWaalsContact CD1-O 3.31Å; L213-D215 WeakPolarHBondContact CD1-O 3.34Å
216	M	69.8	Low	63	Low	40 Å²	40	51.7 Å²	51.7	20%	0.197	32%	0.316	C	S	.	.			trans	-149.3	104.1	-179.2	-179.9	174	-84.2	0	0	109.9	T199 L213 L223 A225	T199-M216 HydrophobicContact CG2-SD 3.83Å; L213-M216 HydrophobicContact CD1-CB 4.24Å; L213-M216 HydrophobicContact CD1-CE 3.93Å; L213-M216 HydrophobicContact CD2-CB 4.25Å; L213-M216 HydrophobicContact CD2-CE 3.66Å; L213-M216 HydrophobicContact CD2-SD 4.28Å; L213-M216 HydrophobicContact CG-CE 4.46Å; M216-L223 HydrophobicContact CE-CD1 4.3Å; M216-L223 HydrophobicContact CE-CD2 4.05Å; M216-L223 HydrophobicContact CE-CG 4.45Å; M216-L223 HydrophobicContact CG-CD1 3.61Å; M216-L223 HydrophobicContact CG-CG 4.31Å; M216-L223 HydrophobicContact SD-CD1 3.67Å; M216-L223 HydrophobicContact SD-CD2 4.44Å; M216-L223 HydrophobicContact SD-CG 4.43Å; M216-A225 HydrophobicContact CE-CB 3.92Å
217	E	66.8	Low	61.2	Low	34 Å²	34	51.6 Å²	51.6	16%	0.159	32%	0.317	C	S	.	.			trans	-93.4	155.1	175.7	-156.4	-177.1	139.9	0	0	111.2	S41 L42 Q219 L224	S41-E217 PolarHBondContact OG-OE2 2.73Å; L42-E217 HydrophobicContact CD1-CB 4.1Å; L42-E217 PolarHBondContact N-OE2 2.9Å; E217-Q219 HydrophobicContact CG-CG 4.42Å; E217-Q219 VanDerWaalsContact OE1-CG 3.24Å; E217-Q219 WeakPolarHBondContact OE1-CG 3.23Å; E217-Q219 PolarHBondContact OE1-NE2 3.33Å; E217-L224 HydrophobicContact CB-CB 3.88Å; E217-L224 WeakPolarHBondContact O-CB 2.77Å; E217-L224 PolarHBondContact O-N 3.2Å
218	V	63.5	Low	59.3	Low	89 Å²	89	52.4 Å²	52.4	54%	0.539	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	108.4	171.7	179.5	0	0	0	0	109.3	N222 L223	V218-N222 CarbonylContact C-O 3.56Å; V218-N222 VanDerWaalsContact CA-O 3.26Å; V218-N222 WeakPolarHBondContact CA-O 3.47Å; V218-L223 HydrophobicContact CG2-CD1 3.61Å
219	Q	56	Low	57.9	Low	45 Å²	45	52.6 Å²	52.6	21%	0.21	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.7	178.1	-65.3	-168	1.6	0	0	110.5	E217 G221 N222 M242	E217-Q219 HydrophobicContact CG-CG 4.42Å; E217-Q219 VanDerWaalsContact OE1-CG 3.24Å; E217-Q219 WeakPolarHBondContact OE1-CG 3.23Å; E217-Q219 PolarHBondContact OE1-NE2 3.33Å; Q219-G221 PolarHBondContact O-N 3.49Å; Q219-G221 VanDerWaalsContact O-N 3.14Å; Q219-N222 PolarHBondContact N-O 2.74Å; Q219-N222 WeakPolarHBondContact O-CA 3.3Å; Q219-N222 WeakPolarHBondContact O-CB 3.39Å; Q219-N222 VanDerWaalsContact O-CG 3.24Å; Q219-N222 PolarHBondContact O-N 3.32Å; Q219-N222 PolarHBondContact O-ND2 3.2Å; Q219-M242 HydrophobicContact CB-CE 4.31Å
220	N	56.2	Low	56.9	Low	114 Å²	114	51.8 Å²	51.8	61%	0.61	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	33	177.9	-60.3	-35.7	0	0	0	114.7	N222 K228	N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 3.06Å; N220-K228 PolarHBondContact O-NZ 2.94Å
221	G	45.8	Very low	55.8	Low	56 Å²	56	49.5 Å²	49.5	58%	0.577	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	17.3	-174.3	0	0	0	0	0	114.2	Q219	Q219-G221 PolarHBondContact O-N 3.49Å; Q219-G221 VanDerWaalsContact O-N 3.14Å
222	N	36.6	Very low	55.5	Low	15 Å²	15	52.2 Å²	52.2	8%	0.08	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.1	168	-46.6	-28.4	0	0	0	107.6	V218 Q219 N220 L224 K228	V218-N222 CarbonylContact C-O 3.56Å; V218-N222 VanDerWaalsContact CA-O 3.26Å; V218-N222 WeakPolarHBondContact CA-O 3.47Å; Q219-N222 PolarHBondContact N-O 2.74Å; Q219-N222 WeakPolarHBondContact O-CA 3.3Å; Q219-N222 WeakPolarHBondContact O-CB 3.39Å; Q219-N222 VanDerWaalsContact O-CG 3.24Å; Q219-N222 PolarHBondContact O-N 3.32Å; Q219-N222 PolarHBondContact O-ND2 3.2Å; N220-N222 VanDerWaalsContact C-N 3.26Å; N220-N222 PolarHBondContact O-N 3.06Å; N222-L224 PolarHBondContact O-N 3.13Å; N222-K228 HydrophobicContact CB-CB 4.35Å; N222-K228 WeakPolarHBondContact OD1-CB 3.36Å; N222-K228 WeakPolarHBondContact OD1-CD 3.41Å
223	L	40	Very low	55.9	Low	59 Å²	59	50.7 Å²	50.7	31%	0.309	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	122.1	168.4	-161.1	67.2	0	0	0	108.3	M216 V218 A225 L226	M216-L223 HydrophobicContact CE-CD1 4.3Å; M216-L223 HydrophobicContact CE-CD2 4.05Å; M216-L223 HydrophobicContact CE-CG 4.45Å; M216-L223 HydrophobicContact CG-CD1 3.61Å; M216-L223 HydrophobicContact CG-CG 4.31Å; M216-L223 HydrophobicContact SD-CD1 3.67Å; M216-L223 HydrophobicContact SD-CD2 4.44Å; M216-L223 HydrophobicContact SD-CG 4.43Å; V218-L223 HydrophobicContact CG2-CD1 3.61Å; L223-A225 HydrophobicContact CD2-CB 4.03Å; L223-A225 HydrophobicContact CG-CB 4.01Å; L223-A225 PolarHBondContact O-N 3.49Å; L223-A225 VanDerWaalsContact O-N 3.07Å; L223-L226 PolarHBondContact O-N 3.28Å
224	L	43.6	Very low	56.3	Low	30 Å²	30	53.6 Å²	53.6	16%	0.157	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	30.1	166	-139.5	93	0	0	0	112	L42 I43 E217 N222 M242	L42-L224 HydrophobicContact CB-CD2 3.47Å; L42-L224 VanDerWaalsContact CB-CD2 3.47Å; L42-L224 HydrophobicContact CD1-CD2 4.1Å; L42-L224 HydrophobicContact CG-CD2 4.45Å; I43-L224 HydrophobicContact CD1-CD1 3.87Å; I43-L224 HydrophobicContact CD1-CD2 4.13Å; I43-L224 HydrophobicContact CG1-CD1 4.36Å; I43-L224 HydrophobicContact CG1-CD2 3.67Å; E217-L224 HydrophobicContact CB-CB 3.88Å; E217-L224 WeakPolarHBondContact O-CB 2.77Å; E217-L224 PolarHBondContact O-N 3.2Å; N222-L224 PolarHBondContact O-N 3.13Å; L224-M242 HydrophobicContact CD1-SD 4.26Å
225	A	45.2	Very low	56.8	Low	19 Å²	19	54.1 Å²	54.1	16%	0.157	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	43.2	152.6	0	0	0	0	0	108.6	M216 L223	M216-A225 HydrophobicContact CE-CB 3.92Å; L223-A225 HydrophobicContact CD2-CB 4.03Å; L223-A225 HydrophobicContact CG-CB 4.01Å; L223-A225 PolarHBondContact O-N 3.49Å; L223-A225 VanDerWaalsContact O-N 3.07Å
226	L	38.4	Very low	57.4	Low	40 Å²	40	54.4 Å²	54.4	21%	0.209	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	99	165.3	-44.2	175.1	0	0	0	116.4	I178 M180 L223	I178-L226 HydrophobicContact CB-CD1 3.46Å; I178-L226 VanDerWaalsContact CB-CD1 3.46Å; I178-L226 HydrophobicContact CG2-CD1 3.78Å; I178-L226 WeakPolarHBondContact O-CD1 3.48Å; I178-L226 WeakPolarHBondContact O-CD2 3.34Å; M180-L226 HydrophobicContact CB-CB 3.94Å; L223-L226 PolarHBondContact O-N 3.28Å
227	V	42.4	Very low	58.3	Low	38 Å²	38	52.8 Å²	52.8	23%	0.23	31%	0.31	C	S	.	.	B	Isolated β-bridge		165.5	127.4	127.5	165.9	0	0	0	0	108.2	M180 T182	M180-V227 HydrophobicContact CB-CG2 3.48Å; M180-V227 VanDerWaalsContact CB-CG2 3.48Å; M180-V227 HydrophobicContact CE-CG2 4.35Å; M180-V227 HydrophobicContact CG-CG2 3.27Å; M180-V227 WeakPolarHBondContact O-CG2 3.19Å; M180-V227 HydrophobicContact SD-CG2 3.98Å; T182-V227 VanDerWaalsContact O-CG2 3.3Å; T182-V227 WeakPolarHBondContact O-CG2 3.43Å
228	K	40.7	Very low	59.2	Low	84 Å²	84	54.7 Å²	54.7	37%	0.365	33%	0.327	S	S	.	.			trans	-145.2	144.5	136	-161.8	174.8	-174.8	174.5	0	108.5	N220 N222 P230	N220-K228 PolarHBondContact O-NZ 2.94Å; N222-K228 HydrophobicContact CB-CB 4.35Å; N222-K228 WeakPolarHBondContact OD1-CB 3.36Å; N222-K228 WeakPolarHBondContact OD1-CD 3.41Å; K228-P230 WeakPolarHBondContact O-CD 3.47Å
229	I	48.7	Very low	60.2	Low	86 Å²	86	51 Å²	51	44%	0.441	30%	0.304	S	S	.	.			trans	-94	106.8	162.8	-61	164.2	0	0	0	104.4
230	P	55.5	Low	61.8	Low	18 Å²	18	48.9 Å²	48.9	12%	0.117	29%	0.294	C	S	.	.			trans	-70.6	142	-169.7	-22.9	39.2	0	0	0	111.3	K228 N232 D235 L236 F239	K228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-N232 PolarHBondContact O-N 2.94Å; P230-D235 HydrophobicContact CB-CB 3.34Å; P230-D235 HydrophobicContact CG-CB 4.42Å; P230-L236 HydrophobicContact CB-CB 4.37Å; P230-L236 HydrophobicContact CG-CB 4.27Å; P230-L236 HydrophobicContact CG-CD1 4.16Å; P230-F239 HydrophobicContact CG-CB 3.91Å; P230-F239 HydrophobicContact CG-CG 4.21Å
231	G	55	Low	63.4	Low	81 Å²	81	46.1 Å²	46.1	84%	0.835	28%	0.275	S	S	*	.	S	Bend	trans	-71.5	-13.3	-167.7	0	0	0	0	0	114.4
232	N	75.3	Confident	65.4	Low	74 Å²	74	45 Å²	45	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	-140	166.6	173.4	82.7	72	0	0	0	112	P230 K234 D235 L236	P230-N232 PolarHBondContact O-N 2.94Å; N232-K234 PolarHBondContact O-N 3.49Å; N232-K234 WeakPolarHBondContact OD1-CA 3.41Å; N232-K234 WeakPolarHBondContact OD1-CB 3.22Å; N232-K234 PolarHBondContact OD1-N 2.75Å; N232-D235 PolarHBondContact ND2-OD1 2.99Å; N232-D235 PolarHBondContact ND2-OD2 3.05Å; N232-D235 PolarHBondContact O-N 2.88Å; N232-D235 PolarHBondContact OD1-N 2.6Å; N232-D235 PolarHBondContact OD1-OD1 2.77Å; N232-L236 PolarHBondContact O-N 3.41Å
233	T	81	Confident	67.8	Low	18 Å²	18	44.7 Å²	44.7	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-61.8	-38.3	-175.4	-59.7	0	0	0	0	114.3	L236 I237 F322 Y325 A326 V329	T233-L236 PolarHBondContact O-N 3.32Å; T233-I237 HydrophobicContact CG2-CD1 3.98Å; T233-I237 WeakPolarHBondContact O-CD1 3.26Å; T233-I237 WeakPolarHBondContact O-CG1 3.24Å; T233-I237 PolarHBondContact O-N 2.9Å; T233-I237 VanDerWaalsContact O-N 3.11Å; T233-F322 HydrophobicContact CG2-CE2 4.49Å; T233-Y325 HydrophobicContact CG2-CD1 4.25Å; T233-Y325 HydrophobicContact CG2-CE1 4.24Å; T233-Y325 WeakPolarHBondContact OG1-CE1 3.05Å; T233-A326 HydrophobicContact CG2-CB 3.81Å; T233-V329 HydrophobicContact CG2-CB 4.26Å; T233-V329 HydrophobicContact CG2-CG1 4.34Å; T233-V329 HydrophobicContact CG2-CG2 4.43Å
234	K	85.2	Confident	70.2	Confident	101 Å²	101	42.4 Å²	42.4	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-67.5	-46.3	-179.8	-64.8	-166.5	175.1	-128.3	0	110.4	N232 L236 I237 S238 V329 D333	N232-K234 PolarHBondContact O-N 3.49Å; N232-K234 WeakPolarHBondContact OD1-CA 3.41Å; N232-K234 WeakPolarHBondContact OD1-CB 3.22Å; N232-K234 PolarHBondContact OD1-N 2.75Å; K234-L236 PolarHBondContact O-N 2.71Å; K234-I237 PolarHBondContact O-N 2.7Å; K234-I237 VanDerWaalsContact O-N 3.07Å; K234-S238 PolarHBondContact O-N 2.97Å; K234-S238 PolarHBondContact O-OG 2.89Å; K234-V329 HydrophobicContact CG-CG1 4.37Å; K234-D333 VanDerWaalsContact CE-OD2 3.25Å; K234-D333 WeakPolarHBondContact CE-OD2 3.5Å; K234-D333 IonicContact NZ-OD1 2.74Å; K234-D333 PolarHBondContact NZ-OD1 2.97Å; K234-D333 IonicContact NZ-OD2 3.22Å; K234-D333 PolarHBondContact NZ-OD2 2.78Å
235	D	78.2	Confident	72.4	Confident	79 Å²	79	42.1 Å²	42.1	42%	0.422	24%	0.24	S	C	.	.	H	α-helix	trans	-58.7	-34.3	176.2	-53.2	-1.2	0	0	0	112	P230 N232 F239	P230-D235 HydrophobicContact CB-CB 3.34Å; P230-D235 HydrophobicContact CG-CB 4.42Å; N232-D235 PolarHBondContact ND2-OD1 2.99Å; N232-D235 PolarHBondContact ND2-OD2 3.05Å; N232-D235 PolarHBondContact O-N 2.88Å; N232-D235 PolarHBondContact OD1-N 2.6Å; N232-D235 PolarHBondContact OD1-OD1 2.77Å; D235-F239 VanDerWaalsContact O-CB 3.25Å; D235-F239 WeakPolarHBondContact O-CB 3.31Å; D235-F239 PolarHBondContact O-N 3.12Å
236	L	82.5	Confident	74.4	Confident	23 Å²	23	41.8 Å²	41.8	12%	0.12	24%	0.237	C	C	.	.	H	α-helix	trans	-70	-41	174.9	-176.9	70	0	0	0	112.5	P230 N232 T233 K234 F239 V240 L284 F322	P230-L236 HydrophobicContact CB-CB 4.37Å; P230-L236 HydrophobicContact CG-CB 4.27Å; P230-L236 HydrophobicContact CG-CD1 4.16Å; N232-L236 PolarHBondContact O-N 3.41Å; T233-L236 PolarHBondContact O-N 3.32Å; K234-L236 PolarHBondContact O-N 2.71Å; L236-F239 HydrophobicContact CD1-CD1 4.15Å; L236-F239 PolarHBondContact O-N 2.97Å; L236-V240 WeakPolarHBondContact O-CG2 2.74Å; L236-V240 PolarHBondContact O-N 3.05Å; L236-L284 HydrophobicContact CD2-CD2 3.61Å; L236-L284 HydrophobicContact CG-CD2 3.92Å; L236-F322 HydrophobicContact CD2-CE1 3.41Å; L236-F322 VanDerWaalsContact CD2-CE1 3.41Å; L236-F322 HydrophobicContact CD2-CZ 3.43Å; L236-F322 VanDerWaalsContact CD2-CZ 3.43Å
237	I	86.9	Confident	76.9	Confident	5 Å²	5	40 Å²	40	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-62.3	-46.7	175.2	-67.1	155.9	0	0	0	109.8	T233 K234 F239 V240 Y241 L288 H330	T233-I237 HydrophobicContact CG2-CD1 3.98Å; T233-I237 WeakPolarHBondContact O-CD1 3.26Å; T233-I237 WeakPolarHBondContact O-CG1 3.24Å; T233-I237 PolarHBondContact O-N 2.9Å; T233-I237 VanDerWaalsContact O-N 3.11Å; K234-I237 PolarHBondContact O-N 2.7Å; K234-I237 VanDerWaalsContact O-N 3.07Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 3.03Å; I237-V240 PolarHBondContact O-N 2.93Å; I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 3.43Å; I237-Y241 VanDerWaalsContact CG2-CE2 3.43Å; I237-Y241 VanDerWaalsContact O-CD2 3.25Å; I237-Y241 WeakPolarHBondContact O-CD2 3.32Å; I237-Y241 PolarHBondContact O-N 2.62Å; I237-Y241 VanDerWaalsContact O-N 3.08Å; I237-L288 HydrophobicContact CG2-CD1 4.33Å; I237-L288 HydrophobicContact CG2-CD2 4.28Å; I237-H330 HydrophobicContact CD1-CB 3.85Å
238	S	86.2	Confident	79.3	Confident	75 Å²	75	38.9 Å²	38.9	52%	0.524	22%	0.222	S	C	.	.	H	α-helix	trans	-60.2	-38.3	173.8	-61.4	0	0	0	0	112.7	K234 Y241 M242	K234-S238 PolarHBondContact O-N 2.97Å; K234-S238 PolarHBondContact O-OG 2.89Å; S238-Y241 PolarHBondContact O-N 3.34Å; S238-M242 WeakPolarHBondContact O-CB 3.34Å; S238-M242 PolarHBondContact O-N 2.75Å
239	F	84.9	Confident	81.6	Confident	12 Å²	12	35.1 Å²	35.1	5%	0.053	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-40.9	174.2	176.3	-103.7	0	0	0	112.3	V179 L181 P230 D235 L236 I237 Y241 M242 I243 F281	V179-F239 HydrophobicContact CG1-CE1 4.31Å; V179-F239 HydrophobicContact CG1-CZ 4.33Å; L181-F239 HydrophobicContact CD2-CE1 4.03Å; P230-F239 HydrophobicContact CG-CB 3.91Å; P230-F239 HydrophobicContact CG-CG 4.21Å; D235-F239 VanDerWaalsContact O-CB 3.25Å; D235-F239 WeakPolarHBondContact O-CB 3.31Å; D235-F239 PolarHBondContact O-N 3.12Å; L236-F239 HydrophobicContact CD1-CD1 4.15Å; L236-F239 PolarHBondContact O-N 2.97Å; I237-F239 VanDerWaalsContact C-N 3.32Å; I237-F239 PolarHBondContact O-N 3.03Å; F239-Y241 PolarHBondContact O-N 2.91Å; F239-M242 PolarHBondContact O-N 3.17Å; F239-I243 HydrophobicContact CD1-CG1 4.38Å; F239-I243 HydrophobicContact CD2-CG1 4.19Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 3.9Å; F239-I243 HydrophobicContact CE2-CG1 3.79Å; F239-I243 HydrophobicContact CG-CG1 4.48Å; F239-I243 HydrophobicContact CZ-CD1 3.87Å; F239-I243 HydrophobicContact CZ-CG1 3.68Å; F239-I243 WeakPolarHBondContact O-CB 3.22Å; F239-I243 VanDerWaalsContact O-CG1 3.26Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å; F239-F281 HydrophobicContact CD1-CD2 4.48Å; F239-F281 HydrophobicContact CD1-CE2 4Å; F239-F281 HydrophobicContact CE1-CD2 4.24Å; F239-F281 AromaticContact CE1-CE2 3.77Å; F239-F281 HydrophobicContact CE1-CE2 3.77Å
240	V	89.1	Confident	83.5	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-45.6	174.3	172.5	0	0	0	0	110.6	L236 I237 I243 K244 F281 L284 D285 L288	L236-V240 WeakPolarHBondContact O-CG2 2.74Å; L236-V240 PolarHBondContact O-N 3.05Å; I237-V240 PolarHBondContact O-N 2.93Å; V240-I243 PolarHBondContact O-N 2.62Å; V240-K244 WeakPolarHBondContact O-CG 3.49Å; V240-K244 PolarHBondContact O-N 2.71Å; V240-F281 HydrophobicContact CB-CE2 4.46Å; V240-F281 HydrophobicContact CG2-CD2 3.94Å; V240-F281 HydrophobicContact CG2-CE2 3.69Å; V240-F281 HydrophobicContact CG2-CZ 4.34Å; V240-L284 HydrophobicContact CG2-CD2 4.08Å; V240-L284 HydrophobicContact CG2-CG 4.43Å; V240-D285 HydrophobicContact CG1-CB 3.97Å; V240-L288 HydrophobicContact CB-CD1 4.12Å; V240-L288 HydrophobicContact CG1-CD1 3.82Å
241	Y	90	Very high	85.2	Confident	55 Å²	55	33.1 Å²	33.1	22%	0.216	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-46.9	176.3	-68.2	-54.1	0	0	0	113	I237 S238 F239 I243 K244 D245 L292 H330	I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 3.43Å; I237-Y241 VanDerWaalsContact CG2-CE2 3.43Å; I237-Y241 VanDerWaalsContact O-CD2 3.25Å; I237-Y241 WeakPolarHBondContact O-CD2 3.32Å; I237-Y241 PolarHBondContact O-N 2.62Å; I237-Y241 VanDerWaalsContact O-N 3.08Å; S238-Y241 PolarHBondContact O-N 3.34Å; F239-Y241 PolarHBondContact O-N 2.91Å; Y241-I243 VanDerWaalsContact C-N 3.26Å; Y241-I243 PolarHBondContact O-N 2.79Å; Y241-K244 HydrophobicContact CD1-CD 4.28Å; Y241-K244 WeakPolarHBondContact O-CB 3.43Å; Y241-K244 PolarHBondContact O-N 3.29Å; Y241-D245 PolarHBondContact O-N 3.15Å; Y241-L292 HydrophobicContact CE1-CD1 3.69Å; Y241-L292 WeakPolarHBondContact OH-CD1 3.17Å; Y241-H330 AromaticContact CE2-CE1 3.87Å; Y241-H330 AromaticContact CE2-NE2 3.56Å; Y241-H330 AromaticContact CZ-NE2 3.58Å; Y241-H330 PolarHBondContact OH-CD2 2.91Å; Y241-H330 PolarHBondContact OH-NE2 3.28Å
242	M	87.1	Confident	86.8	Confident	32 Å²	32	37.1 Å²	37.1	16%	0.158	19%	0.185	C	C	.	.	H	α-helix	trans	-53.2	-42.6	174.8	176.4	-166.5	-73.2	0	0	112	I43 Q219 L224 S238 F239 K244 D245 A246	I43-M242 HydrophobicContact CD1-CG 3.68Å; Q219-M242 HydrophobicContact CB-CE 4.31Å; L224-M242 HydrophobicContact CD1-SD 4.26Å; S238-M242 WeakPolarHBondContact O-CB 3.34Å; S238-M242 PolarHBondContact O-N 2.75Å; F239-M242 PolarHBondContact O-N 3.17Å; M242-K244 VanDerWaalsContact C-N 3.33Å; M242-K244 PolarHBondContact O-N 2.96Å; M242-D245 PolarHBondContact O-N 3.32Å; M242-A246 VanDerWaalsContact O-CB 3.27Å; M242-A246 WeakPolarHBondContact O-CB 3.5Å; M242-A246 PolarHBondContact O-N 2.97Å
243	I	88	Confident	87.3	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.046	18%	0.181	C	C	.	.	H	α-helix	trans	-68.7	-29.9	178.5	-69.6	-68.6	0	0	0	112.3	V179 F239 V240 Y241 R247 M267 F281	V179-I243 HydrophobicContact CG2-CG2 3.7Å; F239-I243 HydrophobicContact CD1-CG1 4.38Å; F239-I243 HydrophobicContact CD2-CG1 4.19Å; F239-I243 HydrophobicContact CE1-CG1 3.99Å; F239-I243 HydrophobicContact CE2-CD1 3.9Å; F239-I243 HydrophobicContact CE2-CG1 3.79Å; F239-I243 HydrophobicContact CG-CG1 4.48Å; F239-I243 HydrophobicContact CZ-CD1 3.87Å; F239-I243 HydrophobicContact CZ-CG1 3.68Å; F239-I243 WeakPolarHBondContact O-CB 3.22Å; F239-I243 VanDerWaalsContact O-CG1 3.26Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å; V240-I243 PolarHBondContact O-N 2.62Å; Y241-I243 VanDerWaalsContact C-N 3.26Å; Y241-I243 PolarHBondContact O-N 2.79Å; I243-R247 WeakPolarHBondContact O-CB 3.45Å; I243-R247 PolarHBondContact O-N 3.07Å; I243-M267 HydrophobicContact CG2-CE 3.82Å; I243-M267 HydrophobicContact CG2-SD 3.88Å; I243-F281 HydrophobicContact CB-CZ 4.34Å; I243-F281 HydrophobicContact CG2-CZ 3.95Å
244	K	91	Very high	87.5	Confident	12 Å²	12	40.9 Å²	40.9	5%	0.052	20%	0.198	C	C	.	.	H	α-helix	trans	-69.9	-45.4	173	-63.3	174.8	-177.4	-170.5	0	111.7	A49 V240 Y241 M242 R247 A248 D285 D289	A49-K244 HydrophobicContact CB-CB 3.55Å; V240-K244 WeakPolarHBondContact O-CG 3.49Å; V240-K244 PolarHBondContact O-N 2.71Å; Y241-K244 HydrophobicContact CD1-CD 4.28Å; Y241-K244 WeakPolarHBondContact O-CB 3.43Å; Y241-K244 PolarHBondContact O-N 3.29Å; M242-K244 VanDerWaalsContact C-N 3.33Å; M242-K244 PolarHBondContact O-N 2.96Å; K244-R247 WeakPolarHBondContact O-CB 3.3Å; K244-R247 PolarHBondContact O-N 2.8Å; K244-A248 PolarHBondContact O-N 3.09Å; K244-D285 WeakPolarHBondContact CE-OD1 2.85Å; K244-D285 IonicContact NZ-OD1 2.69Å; K244-D285 PolarHBondContact NZ-OD1 3.15Å; K244-D289 IonicContact NZ-OD1 2.82Å; K244-D289 PolarHBondContact NZ-OD1 3.25Å; K244-D289 IonicContact NZ-OD2 3.74Å
245	D	89.3	Confident	87.7	Confident	24 Å²	24	38 Å²	38	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-65.3	-42.1	178	-71.7	-7.6	0	0	0	111.1	I43 R48 A49 Y241 M242 R247 A248 S249	I43-D245 HydrophobicContact CG2-CB 4.4Å; R48-D245 WeakPolarHBondContact CA-OD1 3.21Å; R48-D245 WeakPolarHBondContact CD-OD2 3.48Å; R48-D245 IonicContact CZ-OD2 3.66Å; R48-D245 IonicContact NE-OD2 3.79Å; R48-D245 IonicContact NH1-OD2 2.74Å; R48-D245 PolarHBondContact NH1-OD2 3.21Å; A49-D245 PolarHBondContact N-OD1 3.5Å; Y241-D245 PolarHBondContact O-N 3.15Å; M242-D245 PolarHBondContact O-N 3.32Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 3.2Å; D245-A248 PolarHBondContact O-N 2.72Å; D245-S249 PolarHBondContact O-N 3.41Å; D245-S249 PolarHBondContact O-OG 2.95Å
246	A	87.2	Confident	88.2	Confident	11 Å²	11	39 Å²	39	9%	0.091	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-42.9	171.7	0	0	0	0	0	112.1	I43 M242 S249 M250	I43-A246 HydrophobicContact CD1-CB 3.82Å; I43-A246 HydrophobicContact CG1-CB 3.79Å; M242-A246 VanDerWaalsContact O-CB 3.27Å; M242-A246 WeakPolarHBondContact O-CB 3.5Å; M242-A246 PolarHBondContact O-N 2.97Å; A246-S249 PolarHBondContact O-N 3.31Å; A246-M250 WeakPolarHBondContact O-CB 3.41Å; A246-M250 VanDerWaalsContact O-CG 3.31Å; A246-M250 WeakPolarHBondContact O-CG 3.5Å; A246-M250 PolarHBondContact O-N 3.36Å
247	R	90.9	Very high	88.7	Confident	4 Å²	4	45.6 Å²	45.6	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-45.7	174.3	-178.9	174	174	-151.5	-5.1	111	V176 N177 I243 K244 D245 M250 V251 K263 G264 P265	V176-R247 HydrophobicContact CG2-CG 3.95Å; N177-R247 WeakPolarHBondContact OD1-CD 3.25Å; N177-R247 WeakPolarHBondContact OD1-CG 3.5Å; I243-R247 WeakPolarHBondContact O-CB 3.45Å; I243-R247 PolarHBondContact O-N 3.07Å; K244-R247 WeakPolarHBondContact O-CB 3.3Å; K244-R247 PolarHBondContact O-N 2.8Å; D245-R247 VanDerWaalsContact C-N 3.34Å; D245-R247 PolarHBondContact O-N 3.2Å; R247-M250 PolarHBondContact O-N 2.8Å; R247-V251 WeakPolarHBondContact O-CG2 3.42Å; R247-V251 PolarHBondContact O-N 2.86Å; R247-K263 PolarHBondContact NE-O 3.19Å; R247-K263 PolarHBondContact NH2-O 3.06Å; R247-G264 PolarHBondContact NH2-O 2.9Å; R247-P265 PolarHBondContact NE-O 3.31Å; R247-P265 PolarHBondContact NH2-O 3.13Å
248	A	91.7	Very high	89	Confident	13 Å²	13	48.9 Å²	48.9	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-43.4	178.2	0	0	0	0	0	112.5	I47 R48 K244 D245 M250 V251 R252	I47-A248 HydrophobicContact CG2-CB 3.77Å; R48-A248 WeakPolarHBondContact O-CB 3.5Å; K244-A248 PolarHBondContact O-N 3.09Å; D245-A248 PolarHBondContact O-N 2.72Å; A248-M250 VanDerWaalsContact C-N 3.33Å; A248-M250 PolarHBondContact O-N 3.23Å; A248-V251 PolarHBondContact O-N 3.22Å; A248-R252 PolarHBondContact O-N 3.46Å; A248-R252 VanDerWaalsContact O-N 3.11Å
249	S	89.4	Confident	89.3	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-56.2	-47.9	172.8	-60.5	0	0	0	0	111.3	D44 D245 A246 R252 R253	D44-S249 PolarHBondContact N-OG 3.5Å; D44-S249 VanDerWaalsContact N-OG 3.1Å; D245-S249 PolarHBondContact O-N 3.41Å; D245-S249 PolarHBondContact O-OG 2.95Å; A246-S249 PolarHBondContact O-N 3.31Å; S249-R252 PolarHBondContact O-N 2.77Å; S249-R253 VanDerWaalsContact O-CB 3.26Å; S249-R253 WeakPolarHBondContact O-CB 3.35Å; S249-R253 PolarHBondContact O-N 2.9Å
250	M	88.6	Confident	89.7	Confident	43 Å²	43	50.6 Å²	50.6	21%	0.212	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-38.7	179.1	-70.9	-60.3	-63.9	0	0	113	V176 A246 R247 A248 R252 R253 I254	V176-M250 HydrophobicContact CB-CB 4.06Å; V176-M250 HydrophobicContact CG2-CB 4.34Å; A246-M250 WeakPolarHBondContact O-CB 3.41Å; A246-M250 VanDerWaalsContact O-CG 3.31Å; A246-M250 WeakPolarHBondContact O-CG 3.5Å; A246-M250 PolarHBondContact O-N 3.36Å; R247-M250 PolarHBondContact O-N 2.8Å; A248-M250 VanDerWaalsContact C-N 3.33Å; A248-M250 PolarHBondContact O-N 3.23Å; M250-R252 PolarHBondContact O-N 3.29Å; M250-R253 PolarHBondContact O-N 3.44Å; M250-I254 HydrophobicContact CE-CD1 3.99Å; M250-I254 HydrophobicContact CE-CG1 4.11Å; M250-I254 HydrophobicContact CE-CG2 3.95Å; M250-I254 WeakPolarHBondContact O-CG1 3.26Å; M250-I254 PolarHBondContact O-N 3.17Å
251	V	90.6	Very high	90	Very high	19 Å²	19	51.9 Å²	51.9	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-56	-53	173.1	172.7	0	0	0	0	110.3	V176 R247 A248 R253 L255 W258	V176-V251 HydrophobicContact CG1-CG2 4.42Å; V176-V251 HydrophobicContact CG2-CG2 3.95Å; R247-V251 WeakPolarHBondContact O-CG2 3.42Å; R247-V251 PolarHBondContact O-N 2.86Å; A248-V251 PolarHBondContact O-N 3.22Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 3.44Å; V251-L255 CarbonylContact O-C 3.5Å; V251-L255 VanDerWaalsContact O-CA 3.31Å; V251-L255 WeakPolarHBondContact O-CA 3.15Å; V251-L255 PolarHBondContact O-N 2.84Å; V251-W258 HydrophobicContact CG1-CB 3.96Å; V251-W258 HydrophobicContact CG1-CG 4.07Å
252	R	89.8	Confident	90.2	Very high	165 Å²	165	52.4 Å²	52.4	62%	0.623	29%	0.294	S	S	*	.	H	α-helix	trans	-59.9	-37.6	179.1	-167.3	-166.7	-177.5	-164.3	2.1	112.1	D44 I47 A248 S249 M250	D44-R252 IonicContact OD2-NH1 3.44Å; D44-R252 PolarHBondContact OD2-NH1 2.98Å; I47-R252 HydrophobicContact CD1-CB 4.06Å; I47-R252 HydrophobicContact CD1-CG 4.3Å; A248-R252 PolarHBondContact O-N 3.46Å; A248-R252 VanDerWaalsContact O-N 3.11Å; S249-R252 PolarHBondContact O-N 2.77Å; M250-R252 PolarHBondContact O-N 3.29Å
253	R	85.2	Confident	90.5	Very high	81 Å²	81	51.4 Å²	51.4	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-75.6	-47.4	-175.2	-173	-179.2	-170.4	142	8.2	114.2	P40 S249 M250 V251	P40-R253 PolarHBondContact O-NH1 3.24Å; S249-R253 VanDerWaalsContact O-CB 3.26Å; S249-R253 WeakPolarHBondContact O-CB 3.35Å; S249-R253 PolarHBondContact O-N 2.9Å; M250-R253 PolarHBondContact O-N 3.44Å; V251-R253 VanDerWaalsContact C-N 3.26Å; V251-R253 PolarHBondContact O-N 3.44Å
254	I	84.8	Confident	90.8	Very high	90 Å²	90	51 Å²	51	46%	0.462	29%	0.287	S	S	.	.	H	α-helix	trans	-110.4	-11.2	-171.8	64.4	156.9	0	0	0	114.3	V176 M250 P256	V176-I254 HydrophobicContact CB-CD1 4.01Å; V176-I254 HydrophobicContact CB-CG1 4.36Å; V176-I254 HydrophobicContact CG1-CD1 3.78Å; V176-I254 HydrophobicContact CG1-CG1 3.93Å; M250-I254 HydrophobicContact CE-CD1 3.99Å; M250-I254 HydrophobicContact CE-CG1 4.11Å; M250-I254 HydrophobicContact CE-CG2 3.95Å; M250-I254 WeakPolarHBondContact O-CG1 3.26Å; M250-I254 PolarHBondContact O-N 3.17Å; I254-P256 VanDerWaalsContact C-CD 3.49Å
255	L	90.2	Very high	91	Very high	41 Å²	41	50.4 Å²	50.4	22%	0.215	29%	0.285	C	S	.	.			trans	-132.2	59.4	172.8	-60.5	175.5	0	0	0	110.5	K174 V176 V251 N257 W258 P265	K174-L255 HydrophobicContact CB-CD1 4.38Å; V176-L255 HydrophobicContact CG1-CD1 3.41Å; V176-L255 VanDerWaalsContact CG1-CD1 3.41Å; V176-L255 HydrophobicContact CG1-CG 3.98Å; V251-L255 CarbonylContact O-C 3.5Å; V251-L255 VanDerWaalsContact O-CA 3.31Å; V251-L255 WeakPolarHBondContact O-CA 3.15Å; V251-L255 PolarHBondContact O-N 2.84Å; L255-N257 PolarHBondContact O-N 3.44Å; L255-W258 HydrophobicContact CB-CB 4.02Å; L255-W258 HydrophobicContact CD1-CE3 3.87Å; L255-W258 HydrophobicContact CD1-CZ3 4.39Å; L255-W258 WeakPolarHBondContact O-CB 3.39Å; L255-W258 PolarHBondContact O-N 2.91Å; L255-P265 HydrophobicContact CD1-CG 3.74Å
256	P	88.6	Confident	91.4	Very high	99 Å²	99	50.1 Å²	50.1	64%	0.643	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	-175.3	23.6	-34.9	0	0	0	113.6	I254	I254-P256 VanDerWaalsContact C-CD 3.49Å
257	N	92.4	Very high	91.8	Very high	163 Å²	163	49.6 Å²	49.6	87%	0.872	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	31.8	177.1	-59.6	-24.8	0	0	0	112.5	L255 G259	L255-N257 PolarHBondContact O-N 3.44Å; N257-G259 PolarHBondContact O-N 3.19Å; N257-G259 VanDerWaalsContact O-N 3.07Å
258	W	93.8	Very high	92.1	Very high	73 Å²	73	49.4 Å²	49.4	28%	0.277	28%	0.279	S	S	.	.			trans	-70	100.6	179.7	176.8	-102.1	0	0	0	112.3	K174 V251 L255 G260 H261 P265	K174-W258 HydrophobicContact CD-CZ3 4.21Å; V251-W258 HydrophobicContact CG1-CB 3.96Å; V251-W258 HydrophobicContact CG1-CG 4.07Å; L255-W258 HydrophobicContact CB-CB 4.02Å; L255-W258 HydrophobicContact CD1-CE3 3.87Å; L255-W258 HydrophobicContact CD1-CZ3 4.39Å; L255-W258 WeakPolarHBondContact O-CB 3.39Å; L255-W258 PolarHBondContact O-N 2.91Å; W258-G260 VanDerWaalsContact CE2-CA 3.46Å; W258-G260 VanDerWaalsContact NE1-C 3.32Å; W258-H261 PolarHBondContact NE1-O 3.27Å; W258-P265 HydrophobicContact CH2-CB 3.53Å; W258-P265 HydrophobicContact CH2-CG 4.16Å; W258-P265 HydrophobicContact CZ2-CB 4.01Å; W258-P265 HydrophobicContact CZ2-CG 4.44Å; W258-P265 VanDerWaalsContact CZ2-N 3.27Å; W258-P265 HydrophobicContact CZ3-CB 3.89Å; W258-P265 HydrophobicContact CZ3-CG 4.18Å
259	G	92.6	Very high	92.4	Very high	84 Å²	84	48.8 Å²	48.8	87%	0.866	27%	0.274	S	S	*	.			trans	-89.9	17.5	174.3	0	0	0	0	0	115.6	N257	N257-G259 PolarHBondContact O-N 3.19Å; N257-G259 VanDerWaalsContact O-N 3.07Å
260	G	94	Very high	92.7	Very high	40 Å²	40	48.6 Å²	48.6	41%	0.412	27%	0.272	S	S	.	.	S	Bend	trans	-93.5	-159.9	178.3	0	0	0	0	0	113	W258	W258-G260 VanDerWaalsContact CE2-CA 3.46Å; W258-G260 VanDerWaalsContact NE1-C 3.32Å
261	H	95.6	Very high	92.9	Very high	27 Å²	27	46.8 Å²	46.8	13%	0.125	26%	0.264	C	S	.	.			trans	-55.4	139.1	179	-173.5	-98.5	0	0	0	111.9	Y55 K147 Q148 W258 K263 G264	Y55-H261 AromaticContact CG-CE1 3.89Å; K147-H261 PolarHBondContact O-NE2 2.73Å; Q148-H261 VanDerWaalsContact CD-ND1 3.28Å; Q148-H261 HydrophobicContact CG-CB 4.23Å; W258-H261 PolarHBondContact NE1-O 3.27Å; H261-K263 PolarHBondContact ND1-N 2.86Å; H261-K263 PolarHBondContact O-N 3.41Å; H261-G264 PolarHBondContact O-N 3.07Å
262	P	93.6	Very high	93.2	Very high	65 Å²	65	46.2 Å²	46.2	42%	0.422	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.8	-173.8	-32.6	38.8	0	0	0	116	P50 G264	P50-P262 HydrophobicContact CB-CB 4.49Å; P50-P262 HydrophobicContact CG-CB 4.14Å; P50-P262 WeakPolarHBondContact CG-O 3.37Å; P262-G264 PolarHBondContact O-N 3.28Å
263	K	93.2	Very high	93.5	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.048	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-8.4	173.7	-63.1	-178.5	87.5	174.4	0	114.2	Y55 R247 H261 D289	Y55-K263 HydrophobicContact CD1-CD 4.27Å; Y55-K263 HydrophobicContact CD1-CG 3.88Å; Y55-K263 HydrophobicContact CD2-CD 3.86Å; Y55-K263 HydrophobicContact CD2-CG 4.39Å; Y55-K263 HydrophobicContact CE1-CD 3.9Å; Y55-K263 HydrophobicContact CE1-CG 3.44Å; Y55-K263 VanDerWaalsContact CE1-CG 3.44Å; Y55-K263 HydrophobicContact CE2-CD 3.43Å; Y55-K263 VanDerWaalsContact CE2-CD 3.43Å; Y55-K263 HydrophobicContact CE2-CG 3.99Å; Y55-K263 HydrophobicContact CG-CD 4.28Å; Y55-K263 HydrophobicContact CG-CG 4.36Å; Y55-K263 VanDerWaalsContact CZ-CD 3.47Å; R247-K263 PolarHBondContact NE-O 3.19Å; R247-K263 PolarHBondContact NH2-O 3.06Å; H261-K263 PolarHBondContact ND1-N 2.86Å; H261-K263 PolarHBondContact O-N 3.41Å; K263-D289 IonicContact NZ-OD2 3.35Å; K263-D289 PolarHBondContact NZ-OD2 3.24Å
264	G	94.2	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.22	C	C	.	.			trans	93.8	-179	-173.5	0	0	0	0	0	114.8	Q148 R247 H261 P262	Q148-G264 PolarHBondContact NE2-O 3.32Å; R247-G264 PolarHBondContact NH2-O 2.9Å; H261-G264 PolarHBondContact O-N 3.07Å; P262-G264 PolarHBondContact O-N 3.28Å
265	P	95.4	Very high	94.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	20%	0.2	C	C	.	.	S	Bend	trans	-62.2	168.4	174	25.4	-32.1	0	0	0	112.1	K174 V176 R247 L255 W258 M267	K174-P265 HydrophobicContact CB-CB 4.35Å; K174-P265 WeakPolarHBondContact O-CB 3.45Å; K174-P265 WeakPolarHBondContact O-CG 3.41Å; V176-P265 HydrophobicContact CG1-CG 3.82Å; V176-P265 HydrophobicContact CG2-CG 4.31Å; R247-P265 PolarHBondContact NE-O 3.31Å; R247-P265 PolarHBondContact NH2-O 3.13Å; L255-P265 HydrophobicContact CD1-CG 3.74Å; W258-P265 HydrophobicContact CH2-CB 3.53Å; W258-P265 HydrophobicContact CH2-CG 4.16Å; W258-P265 HydrophobicContact CZ2-CB 4.01Å; W258-P265 HydrophobicContact CZ2-CG 4.44Å; W258-P265 VanDerWaalsContact CZ2-N 3.27Å; W258-P265 HydrophobicContact CZ3-CB 3.89Å; W258-P265 HydrophobicContact CZ3-CG 4.18Å; P265-M267 PolarHBondContact O-N 2.89Å
266	P	97.1	Very high	94.9	Very high	17 Å²	17	29 Å²	29	11%	0.11	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-53.4	137.2	-176.5	-25.5	34.2	0	0	0	113.4	S150 A151 I153	S150-P266 VanDerWaalsContact O-CB 3.31Å; S150-P266 WeakPolarHBondContact O-CB 3.21Å; S150-P266 WeakPolarHBondContact O-CG 3.33Å; A151-P266 WeakPolarHBondContact O-CA 3.35Å; I153-P266 HydrophobicContact CD1-CB 3.83Å; I153-P266 HydrophobicContact CD1-CG 4.39Å; I153-P266 HydrophobicContact CG1-CB 3.89Å
267	M	96.5	Very high	95.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	118.5	171.8	-178.4	-170.3	-54.7	0	0	109.4	A151 Y152 I153 V179 I243 P265 V269 F281	A151-M267 PolarHBondContact O-N 3.15Å; Y152-M267 CarbonylContact C-O 3.51Å; Y152-M267 WeakPolarHBondContact CA-O 3.25Å; Y152-M267 HydrophobicContact CD1-CB 4.21Å; Y152-M267 HydrophobicContact CD1-SD 4.47Å; I153-M267 PolarHBondContact N-O 3.42Å; V179-M267 HydrophobicContact CG2-CG 3.86Å; V179-M267 HydrophobicContact CG2-SD 3.5Å; V179-M267 VanDerWaalsContact CG2-SD 3.5Å; I243-M267 HydrophobicContact CG2-CE 3.82Å; I243-M267 HydrophobicContact CG2-SD 3.88Å; P265-M267 PolarHBondContact O-N 2.89Å; M267-V269 HydrophobicContact CG-CG2 3.94Å; M267-V269 PolarHBondContact O-N 2.69Å; M267-V269 HydrophobicContact SD-CG2 3.86Å; M267-F281 HydrophobicContact SD-CE1 3.73Å; M267-F281 HydrophobicContact SD-CZ 4.18Å
268	I	97.4	Very high	95.4	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129	170.7	-68.9	169.9	0	0	0	108.2	I153 T155 L166 M169 V170 V175 N177 I178 V179	I153-I268 HydrophobicContact CB-CG1 4Å; I153-I268 HydrophobicContact CD1-CG1 4.38Å; I153-I268 HydrophobicContact CG2-CG1 4.27Å; I153-I268 CarbonylContact O-C 3.11Å; I153-I268 WeakPolarHBondContact O-CA 3.44Å; T155-I268 HydrophobicContact CG2-CG2 3.65Å; L166-I268 HydrophobicContact CD1-CD1 4.08Å; M169-I268 HydrophobicContact CE-CD1 3.71Å; M169-I268 HydrophobicContact CE-CG1 4.14Å; V170-I268 HydrophobicContact CG2-CD1 3.55Å; V175-I268 HydrophobicContact CB-CD1 4.18Å; V175-I268 HydrophobicContact CB-CG1 4.48Å; V175-I268 HydrophobicContact CG1-CB 4.35Å; V175-I268 HydrophobicContact CG1-CD1 3.94Å; V175-I268 HydrophobicContact CG1-CG1 3.94Å; V175-I268 HydrophobicContact CG2-CD1 3.8Å; V175-I268 HydrophobicContact CG2-CG1 3.92Å; N177-I268 PolarHBondContact O-N 2.88Å; I178-I268 CarbonylContact C-O 3.35Å; I178-I268 VanDerWaalsContact C-O 3.3Å; I178-I268 WeakPolarHBondContact CA-O 3.49Å; I178-I268 HydrophobicContact CB-CB 4.34Å; I178-I268 HydrophobicContact CG1-CB 4.09Å; I178-I268 HydrophobicContact CG1-CD1 4.16Å; I178-I268 HydrophobicContact CG1-CG2 4.47Å; I178-I268 HydrophobicContact CG2-CB 4.19Å; I178-I268 HydrophobicContact CG2-CG2 3.89Å; V179-I268 PolarHBondContact N-O 3.34Å
269	V	96.5	Very high	95.6	Very high	0 Å²	0	16 Å²	16	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	112.7	174.5	-173.2	0	0	0	0	109.8	Y152 I153 L154 T155 V179 L181 M267 S278 F281	Y152-V269 HydrophobicContact CD1-CG2 4.13Å; I153-V269 PolarHBondContact O-N 2.92Å; L154-V269 HydrophobicContact CD2-CB 3.77Å; L154-V269 HydrophobicContact CD2-CG2 4.41Å; T155-V269 PolarHBondContact N-O 3.08Å; V179-V269 HydrophobicContact CB-CB 4.42Å; V179-V269 HydrophobicContact CB-CG1 4.18Å; V179-V269 HydrophobicContact CB-CG2 4.17Å; V179-V269 HydrophobicContact CG1-CG1 4.38Å; V179-V269 HydrophobicContact CG2-CG2 4.36Å; V179-V269 CarbonylContact O-C 3.49Å; V179-V269 WeakPolarHBondContact O-CA 3.49Å; L181-V269 HydrophobicContact CD1-CG1 3.71Å; M267-V269 HydrophobicContact CG-CG2 3.94Å; M267-V269 PolarHBondContact O-N 2.69Å; M267-V269 HydrophobicContact SD-CG2 3.86Å; V269-S278 WeakPolarHBondContact O-CB 3.29Å; V269-S278 PolarHBondContact O-OG 3.08Å; V269-F281 HydrophobicContact CG1-CB 4.23Å; V269-F281 HydrophobicContact CG1-CD1 3.79Å; V269-F281 HydrophobicContact CG1-CG 4.17Å; V269-F281 HydrophobicContact CG2-CD1 3.95Å; V269-F281 HydrophobicContact CG2-CE1 4.04Å
270	H	96.9	Very high	95.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	155	-179	84.1	90.7	0	0	0	112.8	T155 G157 V179 M180 L181 C192 Y195 S278	T155-H270 HydrophobicContact CG2-CB 3.66Å; T155-H270 WeakPolarHBondContact O-CA 3.48Å; T155-H270 WeakPolarHBondContact O-CB 3.38Å; G157-H270 WeakPolarHBondContact CA-ND1 3.09Å; V179-H270 PolarHBondContact O-N 3.49Å; M180-H270 CarbonylContact C-O 3.59Å; M180-H270 WeakPolarHBondContact CB-NE2 3.21Å; M180-H270 WeakPolarHBondContact CG-CE1 3.41Å; L181-H270 WeakPolarHBondContact CB-O 3.45Å; L181-H270 PolarHBondContact N-O 3.42Å; C192-H270 VanDerWaalsContact SG-CE1 3.56Å; Y195-H270 AromaticContact CE1-CE1 3.69Å; Y195-H270 AromaticContact CE1-NE2 3.3Å; Y195-H270 VanDerWaalsContact CE1-NE2 3.3Å; Y195-H270 WeakPolarHBondContact CE1-NE2 3.38Å; Y195-H270 AromaticContact CZ-NE2 3.43Å; Y195-H270 PolarHBondContact OH-NE2 3.39Å; Y195-H270 VanDerWaalsContact OH-NE2 3.15Å; H270-S278 VanDerWaalsContact CA-OG 3.26Å; H270-S278 WeakPolarHBondContact CA-OG 3.22Å
271	C	93	Very high	95.8	Very high	5 Å²	5	11 Å²	11	3%	0.034	6%	0.06	C	C	.	.	S	Bend	trans	-128.1	-122	167.3	57.5	0	0	0	0	106.5	G157 L181 T182 G274 R277 S278	G157-C271 VanDerWaalsContact CA-O 3.25Å; G157-C271 WeakPolarHBondContact CA-O 3.43Å; G157-C271 PolarHBondContact N-O 3.2Å; L181-C271 HydrophobicContact CB-CB 4.11Å; T182-C271 VanDerWaalsContact CG2-C 3.48Å; T182-C271 VanDerWaalsContact CG2-O 3.3Å; T182-C271 WeakPolarHBondContact CG2-O 3.25Å; C271-G274 PolarHBondContact SG-N 2.72Å; C271-R277 HydrophobicContact CB-CB 3.84Å; C271-S278 PolarHBondContact N-OG 3.39Å; C271-S278 PolarHBondContact SG-OG 3.21Å
272	S	95.9	Very high	95.9	Very high	7 Å²	7	9.7 Å²	9.7	5%	0.049	5%	0.054	C	C	.	.	S	Bend	trans	-93.4	-54.8	170.3	-162.3	0	0	0	0	112.1	R115 Y116 Q156 G157 K191	R115-S272 WeakPolarHBondContact CD-O 3.42Å; Y116-S272 PolarHBondContact OH-OG 2.86Å; Q156-S272 WeakPolarHBondContact CA-O 3.37Å; Q156-S272 WeakPolarHBondContact CB-O 3.37Å; G157-S272 PolarHBondContact N-O 3.45Å; K191-S272 VanDerWaalsContact CA-OG 3.22Å; K191-S272 WeakPolarHBondContact CA-OG 3.35Å; K191-S272 WeakPolarHBondContact CD-OG 3.41Å; K191-S272 WeakPolarHBondContact O-CA 3.4Å; K191-S272 PolarHBondContact O-OG 3.48Å
273	A	97.2	Very high	96.1	Very high	10 Å²	10	6.6 Å²	6.6	8%	0.083	3%	0.034	C	C	.	.	S	Bend	trans	-95.2	-7.6	179	0	0	0	0	0	114.3	Y116 I119 I275 R310	Y116-A273 HydrophobicContact CD2-CB 3.68Å; Y116-A273 HydrophobicContact CE2-CB 3.76Å; I119-A273 HydrophobicContact CG1-CB 4.18Å; I119-A273 HydrophobicContact CG2-CB 4.34Å; A273-I275 HydrophobicContact CB-CG1 3.88Å; A273-I275 PolarHBondContact O-N 3.31Å; A273-R310 PolarHBondContact O-NH2 2.94Å
274	G	97.1	Very high	96.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	73.5	7.8	-176.2	0	0	0	0	0	115.8	T155 C271 S278	T155-G274 WeakPolarHBondContact O-CA 3.48Å; C271-G274 PolarHBondContact SG-N 2.72Å; G274-S278 WeakPolarHBondContact O-CB 3.31Å
275	I	97.3	Very high	96.4	Very high	5 Å²	5	6.1 Å²	6.1	3%	0.026	3%	0.032	C	C	.	.	S	Bend	trans	-117	-35.5	-174.9	60.8	153.5	0	0	0	115	I119 A273 A279 R310 A311 G312 A313 V314 Q315	I119-I275 HydrophobicContact CD1-CD1 3.79Å; I119-I275 HydrophobicContact CG2-CD1 4.31Å; I119-I275 HydrophobicContact CG2-CG1 4.37Å; I119-I275 HydrophobicContact CG2-CG2 3.92Å; A273-I275 HydrophobicContact CB-CG1 3.88Å; A273-I275 PolarHBondContact O-N 3.31Å; I275-A279 WeakPolarHBondContact O-CB 3.4Å; I275-R310 HydrophobicContact CG2-CG 4.24Å; I275-A311 VanDerWaalsContact CG2-O 3.22Å; I275-A311 WeakPolarHBondContact CG2-O 3.4Å; I275-G312 WeakPolarHBondContact CD1-O 3.06Å; I275-A313 WeakPolarHBondContact O-CA 3.45Å; I275-V314 PolarHBondContact O-N 3.04Å; I275-Q315 HydrophobicContact CD1-CB 4.25Å; I275-Q315 HydrophobicContact CD1-CG 4.03Å
276	G	95.5	Very high	96.6	Very high	2 Å²	2	6 Å²	6	2%	0.021	3%	0.032	C	C	.	.	S	Bend	trans	-81.7	-88.3	-175.6	0	0	0	0	0	112.4	S278 A279 T280	G276-S278 VanDerWaalsContact C-N 3.28Å; G276-S278 PolarHBondContact O-N 3.24Å; G276-A279 PolarHBondContact O-N 2.83Å; G276-T280 PolarHBondContact O-N 3.2Å; G276-T280 PolarHBondContact O-OG1 3.07Å
277	R	94	Very high	96.6	Very high	61 Å²	61	5.3 Å²	5.3	23%	0.23	3%	0.027	C	C	.	.	H	α-helix	trans	-56.9	-39.7	179.2	-67.1	175.6	-76.8	-164	2.2	112.4	L181 T182 E186 C271 T280 F281	L181-R277 HydrophobicContact CB-CB 4.03Å; L181-R277 HydrophobicContact CD1-CB 4.28Å; L181-R277 WeakPolarHBondContact CD1-O 3.15Å; L181-R277 WeakPolarHBondContact O-CD 3.32Å; L181-R277 PolarHBondContact O-NE 2.89Å; L181-R277 PolarHBondContact O-NH1 3.38Å; T182-R277 PolarHBondContact OG1-NH2 3.39Å; T182-R277 VanDerWaalsContact OG1-NH2 3.09Å; E186-R277 VanDerWaalsContact CD-NH1 3.31Å; E186-R277 IonicContact OE1-CZ 2.75Å; E186-R277 IonicContact OE1-NH1 3.92Å; E186-R277 PolarHBondContact OE1-NH1 2.96Å; E186-R277 IonicContact OE1-NH2 2.71Å; E186-R277 PolarHBondContact OE1-NH2 3.08Å; E186-R277 IonicContact OE2-CZ 3.19Å; E186-R277 IonicContact OE2-NH1 2.62Å; E186-R277 PolarHBondContact OE2-NH1 3.01Å; E186-R277 VanDerWaalsContact OE2-NH1 3.15Å; E186-R277 IonicContact OE2-NH2 3.71Å; E186-R277 PolarHBondContact OE2-NH2 3.32Å; C271-R277 HydrophobicContact CB-CB 3.84Å; R277-T280 PolarHBondContact O-N 3.33Å; R277-F281 PolarHBondContact O-N 3.07Å
278	S	96	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-57.7	-52.8	176.8	-61.2	0	0	0	0	113.5	V269 H270 C271 G274 G276 T280 F281 A282	V269-S278 WeakPolarHBondContact O-CB 3.29Å; V269-S278 PolarHBondContact O-OG 3.08Å; H270-S278 VanDerWaalsContact CA-OG 3.26Å; H270-S278 WeakPolarHBondContact CA-OG 3.22Å; C271-S278 PolarHBondContact N-OG 3.39Å; C271-S278 PolarHBondContact SG-OG 3.21Å; G274-S278 WeakPolarHBondContact O-CB 3.31Å; G276-S278 VanDerWaalsContact C-N 3.28Å; G276-S278 PolarHBondContact O-N 3.24Å; S278-T280 VanDerWaalsContact C-N 3.34Å; S278-F281 PolarHBondContact O-N 2.81Å; S278-A282 PolarHBondContact O-N 2.83Å
279	A	97.6	Very high	96.6	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-69.9	-34.1	178.8	0	0	0	0	0	111.8	L154 I275 G276 F281 A282 I283 V306 A313 V314	L154-A279 HydrophobicContact CD1-CB 4.19Å; I275-A279 WeakPolarHBondContact O-CB 3.4Å; G276-A279 PolarHBondContact O-N 2.83Å; A279-F281 VanDerWaalsContact C-N 3.29Å; A279-F281 PolarHBondContact O-N 3.01Å; A279-A282 PolarHBondContact O-N 2.7Å; A279-I283 HydrophobicContact CB-CD1 4.29Å; A279-I283 WeakPolarHBondContact O-CB 3.49Å; A279-I283 WeakPolarHBondContact O-CD1 3.03Å; A279-I283 WeakPolarHBondContact O-CG1 3.3Å; A279-I283 PolarHBondContact O-N 3.32Å; A279-V306 HydrophobicContact CB-CG1 4.26Å; A279-A313 HydrophobicContact CB-CB 3.56Å; A279-V314 HydrophobicContact CB-CG2 4.25Å
280	T	96.3	Very high	96.6	Very high	13 Å²	13	5.5 Å²	5.5	8%	0.08	3%	0.028	C	C	.	.	H	α-helix	trans	-60.1	-41.8	174.3	-51.8	0	0	0	0	110.8	G276 R277 S278 L284 F322 L323	G276-T280 PolarHBondContact O-N 3.2Å; G276-T280 PolarHBondContact O-OG1 3.07Å; R277-T280 PolarHBondContact O-N 3.33Å; S278-T280 VanDerWaalsContact C-N 3.34Å; T280-L284 WeakPolarHBondContact O-CB 3.07Å; T280-L284 PolarHBondContact O-N 2.79Å; T280-F322 HydrophobicContact CG2-CD1 3.94Å; T280-F322 HydrophobicContact CG2-CE1 4.35Å; T280-L323 HydrophobicContact CG2-CD2 3.86Å; T280-L323 HydrophobicContact CG2-CG 4.14Å; T280-L323 WeakPolarHBondContact O-CD2 3.49Å
281	F	95.5	Very high	96.5	Very high	5 Å²	5	5.5 Å²	5.5	2%	0.022	3%	0.028	C	C	.	.	H	α-helix	trans	-63.5	-51.2	173.9	177.7	-83.8	0	0	0	111.7	V179 L181 F239 V240 I243 M267 V269 R277 S278 A279 I283 L284 D285	V179-F281 HydrophobicContact CG1-CE2 4.22Å; V179-F281 HydrophobicContact CG1-CZ 4.24Å; V179-F281 HydrophobicContact CG2-CZ 4.39Å; L181-F281 HydrophobicContact CD1-CB 3.61Å; L181-F281 HydrophobicContact CD1-CD2 4.36Å; L181-F281 HydrophobicContact CD1-CG 4.08Å; L181-F281 HydrophobicContact CD2-CD2 4.41Å; F239-F281 HydrophobicContact CD1-CD2 4.48Å; F239-F281 HydrophobicContact CD1-CE2 4Å; F239-F281 HydrophobicContact CE1-CD2 4.24Å; F239-F281 AromaticContact CE1-CE2 3.77Å; F239-F281 HydrophobicContact CE1-CE2 3.77Å; V240-F281 HydrophobicContact CB-CE2 4.46Å; V240-F281 HydrophobicContact CG2-CD2 3.94Å; V240-F281 HydrophobicContact CG2-CE2 3.69Å; V240-F281 HydrophobicContact CG2-CZ 4.34Å; I243-F281 HydrophobicContact CB-CZ 4.34Å; I243-F281 HydrophobicContact CG2-CZ 3.95Å; M267-F281 HydrophobicContact SD-CE1 3.73Å; M267-F281 HydrophobicContact SD-CZ 4.18Å; V269-F281 HydrophobicContact CG1-CB 4.23Å; V269-F281 HydrophobicContact CG1-CD1 3.79Å; V269-F281 HydrophobicContact CG1-CG 4.17Å; V269-F281 HydrophobicContact CG2-CD1 3.95Å; V269-F281 HydrophobicContact CG2-CE1 4.04Å; R277-F281 PolarHBondContact O-N 3.07Å; S278-F281 PolarHBondContact O-N 2.81Å; A279-F281 VanDerWaalsContact C-N 3.29Å; A279-F281 PolarHBondContact O-N 3.01Å; F281-I283 PolarHBondContact O-N 3.39Å; F281-L284 PolarHBondContact O-N 2.82Å; F281-D285 WeakPolarHBondContact O-CB 3.46Å; F281-D285 PolarHBondContact O-N 2.76Å
282	A	97.8	Very high	96.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-63.3	-43.1	-178.6	0	0	0	0	0	112.9	Y152 L154 S278 A279 D285 I286	Y152-A282 HydrophobicContact CD1-CB 4.4Å; Y152-A282 HydrophobicContact CD2-CB 4.07Å; Y152-A282 HydrophobicContact CE2-CB 4.17Å; Y152-A282 HydrophobicContact CG-CB 4.19Å; L154-A282 HydrophobicContact CD2-CB 4.25Å; S278-A282 PolarHBondContact O-N 2.83Å; A279-A282 PolarHBondContact O-N 2.7Å; A282-D285 PolarHBondContact O-N 2.94Å; A282-I286 WeakPolarHBondContact O-CD1 3.45Å; A282-I286 WeakPolarHBondContact O-CG1 3.3Å; A282-I286 PolarHBondContact O-N 2.94Å
283	I	98.2	Very high	96.4	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66.7	-38.5	177.6	-65.7	159.7	0	0	0	111.1	A279 F281 C287 V302 T303 V306 V314 L323	A279-I283 HydrophobicContact CB-CD1 4.29Å; A279-I283 WeakPolarHBondContact O-CB 3.49Å; A279-I283 WeakPolarHBondContact O-CD1 3.03Å; A279-I283 WeakPolarHBondContact O-CG1 3.3Å; A279-I283 PolarHBondContact O-N 3.32Å; F281-I283 PolarHBondContact O-N 3.39Å; I283-C287 WeakPolarHBondContact O-CB 3.3Å; I283-C287 PolarHBondContact O-N 2.97Å; I283-C287 PolarHBondContact O-SG 2.98Å; I283-V302 HydrophobicContact CB-CG1 4.32Å; I283-V302 HydrophobicContact CG1-CG1 4.3Å; I283-V302 HydrophobicContact CG2-CB 4.34Å; I283-V302 HydrophobicContact CG2-CG1 3.78Å; I283-T303 HydrophobicContact CD1-CG2 4.13Å; I283-V306 HydrophobicContact CD1-CB 4.14Å; I283-V306 HydrophobicContact CD1-CG1 4.1Å; I283-V306 HydrophobicContact CG1-CB 3.91Å; I283-V306 HydrophobicContact CG1-CG1 4.03Å; I283-V306 HydrophobicContact CG1-CG2 3.74Å; I283-V314 HydrophobicContact CD1-CG2 3.35Å; I283-L323 HydrophobicContact CB-CD1 4.08Å; I283-L323 HydrophobicContact CB-CD2 4.09Å; I283-L323 HydrophobicContact CD1-CD1 4.17Å; I283-L323 HydrophobicContact CG2-CD1 3.68Å; I283-L323 HydrophobicContact CG2-CD2 3.95Å; I283-L323 HydrophobicContact CG2-CG 4.36Å
284	L	97	Very high	96.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-62.4	-49.4	173.8	178.9	59.3	0	0	0	110.4	L236 V240 T280 F281 I286 C287 L288 L323 A326 I327	L236-L284 HydrophobicContact CD2-CD2 3.61Å; L236-L284 HydrophobicContact CG-CD2 3.92Å; V240-L284 HydrophobicContact CG2-CD2 4.08Å; V240-L284 HydrophobicContact CG2-CG 4.43Å; T280-L284 WeakPolarHBondContact O-CB 3.07Å; T280-L284 PolarHBondContact O-N 2.79Å; F281-L284 PolarHBondContact O-N 2.82Å; L284-I286 PolarHBondContact O-N 2.85Å; L284-C287 PolarHBondContact O-N 3.48Å; L284-L288 HydrophobicContact CD1-CD1 4.09Å; L284-L288 HydrophobicContact CD1-CD2 4.4Å; L284-L288 HydrophobicContact CD1-CG 4.03Å; L284-L288 HydrophobicContact CG-CD1 3.91Å; L284-L288 HydrophobicContact CG-CG 4.3Å; L284-L288 VanDerWaalsContact O-CG 3.24Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.26Å; L284-L323 HydrophobicContact CB-CD2 3.96Å; L284-A326 HydrophobicContact CD1-CB 3.84Å; L284-I327 HydrophobicContact CD1-CD1 3.85Å; L284-I327 HydrophobicContact CD1-CG1 4.39Å
285	D	97	Very high	96.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-53.8	-54.2	176.5	179.9	6.6	0	0	0	112	Y152 V240 K244 F281 A282 C287 L288 D289	Y152-D285 VanDerWaalsContact CE1-OD2 3.24Å; Y152-D285 WeakPolarHBondContact CE1-OD2 3.41Å; Y152-D285 PolarHBondContact OH-OD2 2.76Å; V240-D285 HydrophobicContact CG1-CB 3.97Å; K244-D285 WeakPolarHBondContact CE-OD1 2.85Å; K244-D285 IonicContact NZ-OD1 2.69Å; K244-D285 PolarHBondContact NZ-OD1 3.15Å; F281-D285 WeakPolarHBondContact O-CB 3.46Å; F281-D285 PolarHBondContact O-N 2.76Å; A282-D285 PolarHBondContact O-N 2.94Å; D285-C287 VanDerWaalsContact C-N 3.3Å; D285-C287 PolarHBondContact O-N 2.85Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-L288 VanDerWaalsContact O-N 3.09Å; D285-D289 PolarHBondContact O-N 3.13Å
286	I	97.9	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-54.5	-46.6	176.7	-65.5	161.1	0	0	0	111.2	H62 D144 Y152 A282 L284 L288 D289 M290 V302 V306	H62-I286 HydrophobicContact CB-CG2 4.09Å; D144-I286 WeakPolarHBondContact O-CD1 3.41Å; Y152-I286 HydrophobicContact CE2-CD1 4.01Å; Y152-I286 HydrophobicContact CE2-CG1 3.95Å; A282-I286 WeakPolarHBondContact O-CD1 3.45Å; A282-I286 WeakPolarHBondContact O-CG1 3.3Å; A282-I286 PolarHBondContact O-N 2.94Å; L284-I286 PolarHBondContact O-N 2.85Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.42Å; I286-D289 PolarHBondContact O-N 3.34Å; I286-M290 HydrophobicContact CG2-SD 4.21Å; I286-M290 VanDerWaalsContact O-CG 3.3Å; I286-M290 WeakPolarHBondContact O-CG 3.17Å; I286-M290 PolarHBondContact O-N 3.3Å; I286-V302 HydrophobicContact CB-CG1 3.96Å; I286-V302 HydrophobicContact CD1-CG1 4.05Å; I286-V302 HydrophobicContact CG2-CG1 3.63Å; I286-V302 HydrophobicContact CG2-CG2 4.1Å; I286-V306 HydrophobicContact CD1-CG2 3.9Å
287	C	97.8	Very high	96.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-70.3	-29.1	-178.9	-68.3	0	0	0	0	113	I283 L284 D285 L291 I327	I283-C287 WeakPolarHBondContact O-CB 3.3Å; I283-C287 PolarHBondContact O-N 2.97Å; I283-C287 PolarHBondContact O-SG 2.98Å; L284-C287 PolarHBondContact O-N 3.48Å; D285-C287 VanDerWaalsContact C-N 3.3Å; D285-C287 PolarHBondContact O-N 2.85Å; C287-L291 WeakPolarHBondContact O-CB 3.43Å; C287-L291 PolarHBondContact O-N 3.27Å; C287-I327 HydrophobicContact CB-CD1 3.47Å; C287-I327 VanDerWaalsContact CB-CD1 3.47Å; C287-I327 HydrophobicContact CB-CG1 3.87Å
288	L	96.7	Very high	96.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.5	-43	172.9	-69.7	171.4	0	0	0	111.1	I237 V240 L284 D285 I286 L291 L292 I327 H330	I237-L288 HydrophobicContact CG2-CD1 4.33Å; I237-L288 HydrophobicContact CG2-CD2 4.28Å; V240-L288 HydrophobicContact CB-CD1 4.12Å; V240-L288 HydrophobicContact CG1-CD1 3.82Å; L284-L288 HydrophobicContact CD1-CD1 4.09Å; L284-L288 HydrophobicContact CD1-CD2 4.4Å; L284-L288 HydrophobicContact CD1-CG 4.03Å; L284-L288 HydrophobicContact CG-CD1 3.91Å; L284-L288 HydrophobicContact CG-CG 4.3Å; L284-L288 VanDerWaalsContact O-CG 3.24Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.26Å; D285-L288 PolarHBondContact O-N 2.89Å; D285-L288 VanDerWaalsContact O-N 3.09Å; I286-L288 VanDerWaalsContact C-N 3.34Å; I286-L288 PolarHBondContact O-N 3.42Å; L288-L291 PolarHBondContact O-N 2.82Å; L288-L292 WeakPolarHBondContact O-CG 3.27Å; L288-L292 PolarHBondContact O-N 3.48Å; L288-I327 HydrophobicContact CD2-CD1 4.04Å; L288-I327 HydrophobicContact CG-CD1 4.27Å; L288-H330 HydrophobicContact CD2-CB 4.2Å; L288-H330 WeakPolarHBondContact CD2-CD2 3.31Å
289	D	96.2	Very high	96.6	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.021	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-44.4	175	-75.4	-14.7	0	0	0	112.1	A52 Y146 K244 K263 D285 I286 L291 L292 H293	A52-D289 HydrophobicContact CB-CB 4.29Å; Y146-D289 HydrophobicContact CD1-CB 3.56Å; Y146-D289 HydrophobicContact CE1-CB 4.35Å; Y146-D289 HydrophobicContact CG-CB 3.92Å; K244-D289 IonicContact NZ-OD1 2.82Å; K244-D289 PolarHBondContact NZ-OD1 3.25Å; K244-D289 IonicContact NZ-OD2 3.74Å; K263-D289 IonicContact NZ-OD2 3.35Å; K263-D289 PolarHBondContact NZ-OD2 3.24Å; D285-D289 PolarHBondContact O-N 3.13Å; I286-D289 PolarHBondContact O-N 3.34Å; D289-L291 VanDerWaalsContact C-N 3.32Å; D289-L291 PolarHBondContact O-N 3.17Å; D289-L292 PolarHBondContact O-N 3.43Å; D289-H293 WeakPolarHBondContact O-CB 3.42Å; D289-H293 PolarHBondContact O-N 2.89Å
290	M	96.5	Very high	96.5	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-62.9	-38.4	175.6	-65.8	179.7	76	0	0	112.2	Y146 I286 V294 Q295 R296 V302	Y146-M290 HydrophobicContact CD2-CB 4.44Å; Y146-M290 HydrophobicContact CD2-CG 3.31Å; Y146-M290 HydrophobicContact CD2-SD 4.38Å; Y146-M290 HydrophobicContact CE2-CB 4.35Å; Y146-M290 HydrophobicContact CE2-CG 3.53Å; Y146-M290 HydrophobicContact CG-CG 3.98Å; I286-M290 HydrophobicContact CG2-SD 4.21Å; I286-M290 VanDerWaalsContact O-CG 3.3Å; I286-M290 WeakPolarHBondContact O-CG 3.17Å; I286-M290 PolarHBondContact O-N 3.3Å; M290-V294 WeakPolarHBondContact O-CG2 2.97Å; M290-V294 PolarHBondContact O-N 2.9Å; M290-V294 VanDerWaalsContact O-N 3.13Å; M290-Q295 PolarHBondContact O-N 2.69Å; M290-R296 CarbonylContact C-O 3.52Å; M290-R296 VanDerWaalsContact C-O 3.26Å; M290-R296 WeakPolarHBondContact CB-O 3.25Å; M290-V302 HydrophobicContact SD-CG2 3.89Å
291	L	95.5	Very high	96.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.4	-45	178.4	-176.9	62.7	0	0	0	111.6	I70 C287 L288 D289 Q295 V297 H330 A331 L334 Y336	I70-L291 HydrophobicContact CB-CD1 4.28Å; I70-L291 HydrophobicContact CD1-CD1 3.81Å; I70-L291 HydrophobicContact CG1-CD1 3.9Å; C287-L291 WeakPolarHBondContact O-CB 3.43Å; C287-L291 PolarHBondContact O-N 3.27Å; L288-L291 PolarHBondContact O-N 2.82Å; D289-L291 VanDerWaalsContact C-N 3.32Å; D289-L291 PolarHBondContact O-N 3.17Å; L291-Q295 VanDerWaalsContact O-CA 3.25Å; L291-Q295 WeakPolarHBondContact O-CA 3.34Å; L291-Q295 PolarHBondContact O-N 3.46Å; L291-Q295 VanDerWaalsContact O-N 3.11Å; L291-V297 HydrophobicContact CB-CG1 3.78Å; L291-V297 HydrophobicContact CD1-CG1 3.99Å; L291-V297 HydrophobicContact CG-CG1 4.42Å; L291-H330 HydrophobicContact CD2-CB 4.36Å; L291-A331 HydrophobicContact CD1-CB 4.05Å; L291-A331 HydrophobicContact CD2-CB 4.03Å; L291-L334 HydrophobicContact CD2-CD1 4.05Å; L291-L334 HydrophobicContact CG-CD1 4.21Å; L291-Y336 HydrophobicContact CD1-CD2 3.79Å; L291-Y336 HydrophobicContact CD1-CE2 4.2Å; L291-Y336 HydrophobicContact CG-CD2 4.16Å; L291-Y336 HydrophobicContact CG-CE2 4.13Å; L291-Y336 WeakPolarHBondContact O-CE2 3.26Å
292	L	93.7	Very high	96.6	Very high	69 Å²	69	21.4 Å²	21.4	36%	0.361	11%	0.106	S	C	.	.	H	α-helix	trans	-70.2	-45.8	179.6	-71.7	177.3	0	0	0	112.7	Y241 L288 D289 L334	Y241-L292 HydrophobicContact CE1-CD1 3.69Å; Y241-L292 WeakPolarHBondContact OH-CD1 3.17Å; L288-L292 WeakPolarHBondContact O-CG 3.27Å; L288-L292 PolarHBondContact O-N 3.48Å; D289-L292 PolarHBondContact O-N 3.43Å; L292-L334 HydrophobicContact CD2-CD1 3.79Å; L292-L334 HydrophobicContact CD2-CD2 4.25Å
293	H	94.1	Very high	96.6	Very high	57 Å²	57	21.5 Å²	21.5	26%	0.264	11%	0.106	S	C	.	.	H	α-helix	trans	-70.1	-53.6	-176.6	-172.7	167.6	0	0	0	111.5	A52 E53 Y146 D289	A52-H293 HydrophobicContact CB-CB 3.88Å; A52-H293 PolarHBondContact O-CE1 2.85Å; A52-H293 PolarHBondContact O-ND1 3.47Å; E53-H293 VanDerWaalsContact CA-CE1 3.49Å; E53-H293 WeakPolarHBondContact CA-CE1 3.27Å; Y146-H293 HydrophobicContact CE1-CB 3.96Å; Y146-H293 AromaticContact CE1-ND1 3.41Å; Y146-H293 WeakPolarHBondContact CE1-ND1 3.47Å; Y146-H293 AromaticContact CZ-ND1 3.66Å; Y146-H293 PolarHBondContact OH-ND1 3.37Å; D289-H293 WeakPolarHBondContact O-CB 3.42Å; D289-H293 PolarHBondContact O-N 2.89Å
294	V	95.2	Very high	96.6	Very high	45 Å²	45	25.3 Å²	25.3	27%	0.273	12%	0.12	S	C	.	.	H	α-helix	trans	-123.2	3.3	-165.8	-65.2	0	0	0	0	114.4	P64 M290 R296	P64-V294 HydrophobicContact CB-CG1 4.17Å; P64-V294 HydrophobicContact CB-CG2 4.23Å; M290-V294 WeakPolarHBondContact O-CG2 2.97Å; M290-V294 PolarHBondContact O-N 2.9Å; M290-V294 VanDerWaalsContact O-N 3.13Å; V294-R296 HydrophobicContact CB-CG 4.45Å; V294-R296 HydrophobicContact CG2-CB 3.91Å; V294-R296 HydrophobicContact CG2-CG 4.14Å; V294-R296 WeakPolarHBondContact O-CG 3.42Å; V294-R296 PolarHBondContact O-N 2.95Å; V294-R296 VanDerWaalsContact O-N 3.14Å
295	Q	96.4	Very high	96.6	Very high	93 Å²	93	26.2 Å²	26.2	44%	0.435	12%	0.124	S	C	.	.	S	Bend	trans	52.7	31.8	-174.4	-53.5	-174.7	20.3	0	0	113.3	I70 M290 L291 Y336	I70-Q295 WeakPolarHBondContact CB-O 3.28Å; I70-Q295 HydrophobicContact CG2-CB 4.26Å; I70-Q295 WeakPolarHBondContact CG2-O 3.36Å; I70-Q295 PolarHBondContact N-O 2.84Å; M290-Q295 PolarHBondContact O-N 2.69Å; L291-Q295 VanDerWaalsContact O-CA 3.25Å; L291-Q295 WeakPolarHBondContact O-CA 3.34Å; L291-Q295 PolarHBondContact O-N 3.46Å; L291-Q295 VanDerWaalsContact O-N 3.11Å; Q295-Y336 HydrophobicContact CG-CD1 4.42Å; Q295-Y336 HydrophobicContact CG-CD2 4.04Å; Q295-Y336 HydrophobicContact CG-CE1 4.27Å; Q295-Y336 HydrophobicContact CG-CE2 3.85Å; Q295-Y336 HydrophobicContact CG-CG 4.33Å
296	R	97.2	Very high	96.6	Very high	83 Å²	83	26.2 Å²	26.2	31%	0.313	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.1	176.8	-58.5	173.5	77.1	99.5	-2.9	109.9	G67 L68 M290 V294	G67-R296 VanDerWaalsContact O-CZ 3.23Å; G67-R296 PolarHBondContact O-NE 3.18Å; G67-R296 PolarHBondContact O-NH2 2.91Å; L68-R296 CarbonylContact O-C 3.59Å; L68-R296 WeakPolarHBondContact O-CA 3.37Å; L68-R296 WeakPolarHBondContact O-CB 3.43Å; M290-R296 CarbonylContact C-O 3.52Å; M290-R296 VanDerWaalsContact C-O 3.26Å; M290-R296 WeakPolarHBondContact CB-O 3.25Å; V294-R296 HydrophobicContact CB-CG 4.45Å; V294-R296 HydrophobicContact CG2-CB 3.91Å; V294-R296 HydrophobicContact CG2-CG 4.14Å; V294-R296 WeakPolarHBondContact O-CG 3.42Å; V294-R296 PolarHBondContact O-N 2.95Å; V294-R296 VanDerWaalsContact O-N 3.14Å
297	V	97.4	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153	176.4	-63.6	0	0	0	0	110.4	L68 I70 W73 L291 I327	L68-V297 PolarHBondContact N-O 3.33Å; L68-V297 PolarHBondContact O-N 2.87Å; I70-V297 HydrophobicContact CD1-CG2 3.65Å; W73-V297 HydrophobicContact CB-CG2 3.97Å; W73-V297 HydrophobicContact CD2-CG2 3.4Å; W73-V297 HydrophobicContact CE3-CG2 3.61Å; W73-V297 HydrophobicContact CG-CG2 3.55Å; W73-V297 HydrophobicContact CZ2-CG2 4.5Å; W73-V297 HydrophobicContact CZ3-CG2 4.22Å; L291-V297 HydrophobicContact CB-CG1 3.78Å; L291-V297 HydrophobicContact CD1-CG1 3.99Å; L291-V297 HydrophobicContact CG-CG1 4.42Å; V297-I327 HydrophobicContact CB-CG2 4.2Å; V297-I327 HydrophobicContact CG1-CG2 3.91Å; V297-I327 HydrophobicContact CG2-CG2 3.93Å
298	N	96.7	Very high	96.5	Very high	33 Å²	33	27.6 Å²	27.6	18%	0.176	13%	0.132	C	C	.	.			trans	-152.9	76.5	172.2	-170.9	-7.5	0	0	0	110.1	H66 A300 E301 V302	H66-N298 VanDerWaalsContact O-CB 3.27Å; H66-N298 WeakPolarHBondContact O-CB 3.47Å; H66-N298 PolarHBondContact O-ND2 3.39Å; N298-A300 PolarHBondContact O-N 2.98Å; N298-A300 VanDerWaalsContact O-N 3.1Å; N298-E301 HydrophobicContact CB-CB 4.12Å; N298-E301 VanDerWaalsContact CG-CB 3.43Å; N298-E301 VanDerWaalsContact ND2-CB 3.29Å; N298-E301 WeakPolarHBondContact ND2-CB 3.41Å; N298-E301 PolarHBondContact O-N 3.24Å; N298-E301 PolarHBondContact OD1-N 3.23Å; N298-V302 WeakPolarHBondContact O-CG2 3.05Å; N298-V302 PolarHBondContact O-N 2.92Å
299	V	97.3	Very high	96.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-51.7	-35.9	-176.9	174.9	0	0	0	0	112.5	W73 T303 Y320 L323 I327	W73-V299 HydrophobicContact CH2-CG2 4.37Å; W73-V299 HydrophobicContact CZ2-CB 4.22Å; W73-V299 HydrophobicContact CZ2-CG2 3.58Å; V299-T303 WeakPolarHBondContact O-CB 3.5Å; V299-T303 PolarHBondContact O-N 2.86Å; V299-T303 PolarHBondContact O-OG1 2.85Å; V299-Y320 HydrophobicContact CG1-CE2 4.16Å; V299-L323 HydrophobicContact CG1-CB 3.64Å; V299-L323 HydrophobicContact CG1-CD1 4.33Å; V299-I327 HydrophobicContact CG2-CG1 4.17Å
300	A	96.5	Very high	96.6	Very high	17 Å²	17	28 Å²	28	14%	0.14	13%	0.133	C	C	.	.	H	α-helix	trans	-65.7	-49.4	177.7	0	0	0	0	0	112.3	N298 T303 R304 Y320	N298-A300 PolarHBondContact O-N 2.98Å; N298-A300 VanDerWaalsContact O-N 3.1Å; A300-T303 PolarHBondContact O-N 3.43Å; A300-R304 WeakPolarHBondContact O-CB 3.33Å; A300-R304 PolarHBondContact O-N 3.21Å; A300-Y320 WeakPolarHBondContact CA-OH 3.37Å; A300-Y320 WeakPolarHBondContact CB-OH 3.31Å
301	E	96.1	Very high	96.6	Very high	42 Å²	42	28.3 Å²	28.3	20%	0.196	14%	0.136	C	C	.	.	H	α-helix	trans	-70.2	-38	-179.9	177.8	58.1	-170.7	0	0	112.4	H66 N298 R304 K305	H66-E301 HydrophobicContact CB-CG 4.39Å; N298-E301 HydrophobicContact CB-CB 4.12Å; N298-E301 VanDerWaalsContact CG-CB 3.43Å; N298-E301 VanDerWaalsContact ND2-CB 3.29Å; N298-E301 WeakPolarHBondContact ND2-CB 3.41Å; N298-E301 PolarHBondContact O-N 3.24Å; N298-E301 PolarHBondContact OD1-N 3.23Å; E301-R304 PolarHBondContact O-N 3.21Å; E301-R304 IonicContact OE1-CZ 3.63Å; E301-R304 IonicContact OE1-NE 3.7Å; E301-R304 IonicContact OE1-NH2 2.74Å; E301-R304 PolarHBondContact OE1-NH2 2.74Å; E301-R304 IonicContact OE2-CZ 3.49Å; E301-R304 IonicContact OE2-NE 2.76Å; E301-R304 PolarHBondContact OE2-NE 2.98Å; E301-R304 IonicContact OE2-NH2 3.36Å; E301-R304 PolarHBondContact OE2-NH2 2.69Å; E301-K305 HydrophobicContact CG-CD 4.3Å; E301-K305 WeakPolarHBondContact O-CB 3.44Å; E301-K305 PolarHBondContact O-N 3Å; E301-K305 WeakPolarHBondContact OE1-CD 3.34Å; E301-K305 WeakPolarHBondContact OE1-CE 3.42Å; E301-K305 IonicContact OE1-NZ 2.72Å; E301-K305 PolarHBondContact OE1-NZ 3.44Å
302	V	97.9	Very high	96.6	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.024	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-45.1	173.3	178.1	0	0	0	0	110.1	I283 I286 M290 N298 R304 K305 V306	I283-V302 HydrophobicContact CB-CG1 4.32Å; I283-V302 HydrophobicContact CG1-CG1 4.3Å; I283-V302 HydrophobicContact CG2-CB 4.34Å; I283-V302 HydrophobicContact CG2-CG1 3.78Å; I286-V302 HydrophobicContact CB-CG1 3.96Å; I286-V302 HydrophobicContact CD1-CG1 4.05Å; I286-V302 HydrophobicContact CG2-CG1 3.63Å; I286-V302 HydrophobicContact CG2-CG2 4.1Å; M290-V302 HydrophobicContact SD-CG2 3.89Å; N298-V302 WeakPolarHBondContact O-CG2 3.05Å; N298-V302 PolarHBondContact O-N 2.92Å; V302-R304 VanDerWaalsContact C-N 3.35Å; V302-R304 PolarHBondContact O-N 3.05Å; V302-K305 PolarHBondContact O-N 3.43Å; V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 WeakPolarHBondContact O-CG2 3.16Å; V302-V306 PolarHBondContact O-N 3.11Å
303	T	97.8	Very high	96.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-42.7	175.2	-57.7	0	0	0	0	111.7	L92 I283 V299 A300 V306 R307 V314 Y320	L92-T303 HydrophobicContact CD1-CG2 4.07Å; I283-T303 HydrophobicContact CD1-CG2 4.13Å; V299-T303 WeakPolarHBondContact O-CB 3.5Å; V299-T303 PolarHBondContact O-N 2.86Å; V299-T303 PolarHBondContact O-OG1 2.85Å; A300-T303 PolarHBondContact O-N 3.43Å; T303-V306 PolarHBondContact O-N 3.02Å; T303-R307 HydrophobicContact CG2-CG 4.41Å; T303-R307 WeakPolarHBondContact O-CB 3.25Å; T303-R307 WeakPolarHBondContact O-CG 3.38Å; T303-R307 PolarHBondContact O-N 2.84Å; T303-V314 HydrophobicContact CG2-CB 4.44Å; T303-V314 HydrophobicContact CG2-CG2 3.96Å; T303-Y320 HydrophobicContact CG2-CD2 4.13Å; T303-Y320 HydrophobicContact CG2-CE2 4.11Å
304	R	96.9	Very high	96.8	Very high	80 Å²	80	23.4 Å²	23.4	30%	0.302	12%	0.117	S	C	.	.	H	α-helix	trans	-59.7	-47	177.3	-168	-168	65.5	78.7	-2.1	111.8	L92 A95 A300 E301 V302 R307 A308	L92-R304 HydrophobicContact CD2-CB 3.67Å; L92-R304 HydrophobicContact CD2-CG 4.09Å; A95-R304 HydrophobicContact CB-CG 4.04Å; A300-R304 WeakPolarHBondContact O-CB 3.33Å; A300-R304 PolarHBondContact O-N 3.21Å; E301-R304 PolarHBondContact O-N 3.21Å; E301-R304 IonicContact OE1-CZ 3.63Å; E301-R304 IonicContact OE1-NE 3.7Å; E301-R304 IonicContact OE1-NH2 2.74Å; E301-R304 PolarHBondContact OE1-NH2 2.74Å; E301-R304 IonicContact OE2-CZ 3.49Å; E301-R304 IonicContact OE2-NE 2.76Å; E301-R304 PolarHBondContact OE2-NE 2.98Å; E301-R304 IonicContact OE2-NH2 3.36Å; E301-R304 PolarHBondContact OE2-NH2 2.69Å; V302-R304 VanDerWaalsContact C-N 3.35Å; V302-R304 PolarHBondContact O-N 3.05Å; R304-R307 PolarHBondContact O-N 3.28Å; R304-A308 PolarHBondContact O-N 3.15Å
305	K	97	Very high	96.8	Very high	20 Å²	20	26.1 Å²	26.1	9%	0.087	13%	0.127	C	C	.	.	H	α-helix	trans	-66.6	-44	179.4	-82.2	170.5	164.8	169	0	112.5	V61 H62 H66 E301 V302 R307 A308 Q309	V61-K305 HydrophobicContact CB-CD 3.96Å; V61-K305 HydrophobicContact CB-CG 4.33Å; V61-K305 HydrophobicContact CG2-CB 3.9Å; V61-K305 HydrophobicContact CG2-CD 3.96Å; V61-K305 HydrophobicContact CG2-CG 4.06Å; V61-K305 WeakPolarHBondContact O-CD 3.48Å; V61-K305 VanDerWaalsContact O-CE 3.24Å; V61-K305 WeakPolarHBondContact O-CE 3.22Å; V61-K305 PolarHBondContact O-NZ 3.48Å; H62-K305 VanDerWaalsContact CE1-CB 3.42Å; H62-K305 WeakPolarHBondContact CE1-CB 3.33Å; H66-K305 PolarHBondContact CD2-NZ 3.14Å; H66-K305 PolarHBondContact CE1-NZ 3.32Å; H66-K305 VanDerWaalsContact CE1-NZ 3.3Å; H66-K305 VanDerWaalsContact CG-NZ 3.27Å; H66-K305 PolarHBondContact ND1-NZ 3.32Å; H66-K305 PolarHBondContact NE2-NZ 3.44Å; E301-K305 HydrophobicContact CG-CD 4.3Å; E301-K305 WeakPolarHBondContact O-CB 3.44Å; E301-K305 PolarHBondContact O-N 3Å; E301-K305 WeakPolarHBondContact OE1-CD 3.34Å; E301-K305 WeakPolarHBondContact OE1-CE 3.42Å; E301-K305 IonicContact OE1-NZ 2.72Å; E301-K305 PolarHBondContact OE1-NZ 3.44Å; V302-K305 PolarHBondContact O-N 3.43Å; K305-R307 VanDerWaalsContact C-N 3.32Å; K305-R307 PolarHBondContact O-N 3.07Å; K305-A308 WeakPolarHBondContact O-CB 3.44Å; K305-A308 PolarHBondContact O-N 3.39Å; K305-A308 VanDerWaalsContact O-N 3.16Å; K305-Q309 PolarHBondContact O-N 3.46Å
306	V	97.9	Very high	96.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-38.1	173.1	172.1	0	0	0	0	111.3	V143 L154 A279 I283 I286 V302 T303 A308 Q309 R310 A313	V143-V306 HydrophobicContact CG1-CB 4.31Å; V143-V306 HydrophobicContact CG1-CG1 3.98Å; V143-V306 HydrophobicContact CG1-CG2 3.85Å; L154-V306 HydrophobicContact CD1-CG1 4.46Å; A279-V306 HydrophobicContact CB-CG1 4.26Å; I283-V306 HydrophobicContact CD1-CB 4.14Å; I283-V306 HydrophobicContact CD1-CG1 4.1Å; I283-V306 HydrophobicContact CG1-CB 3.91Å; I283-V306 HydrophobicContact CG1-CG1 4.03Å; I283-V306 HydrophobicContact CG1-CG2 3.74Å; I286-V306 HydrophobicContact CD1-CG2 3.9Å; V302-V306 HydrophobicContact CG1-CG2 4.44Å; V302-V306 WeakPolarHBondContact O-CG2 3.16Å; V302-V306 PolarHBondContact O-N 3.11Å; T303-V306 PolarHBondContact O-N 3.02Å; V306-A308 VanDerWaalsContact C-N 3.35Å; V306-Q309 PolarHBondContact O-N 3.14Å; V306-R310 PolarHBondContact O-N 2.77Å; V306-A313 HydrophobicContact CG1-CB 3.95Å
307	R	97.1	Very high	96.5	Very high	22 Å²	22	21.5 Å²	21.5	8%	0.083	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-32.7	173.1	-80.2	-172.6	70	84.1	3.7	113.8	L92 S93 A95 Y122 T303 R304 K305 Q309 R310 G312 A313 V314	L92-R307 WeakPolarHBondContact O-CD 3.42Å; L92-R307 PolarHBondContact O-NE 3.08Å; S93-R307 PolarHBondContact O-NH2 3.39Å; S93-R307 VanDerWaalsContact O-NH2 3.13Å; A95-R307 HydrophobicContact CB-CB 4.42Å; Y122-R307 WeakPolarHBondContact CE2-O 3.17Å; T303-R307 HydrophobicContact CG2-CG 4.41Å; T303-R307 WeakPolarHBondContact O-CB 3.25Å; T303-R307 WeakPolarHBondContact O-CG 3.38Å; T303-R307 PolarHBondContact O-N 2.84Å; R304-R307 PolarHBondContact O-N 3.28Å; K305-R307 VanDerWaalsContact C-N 3.32Å; K305-R307 PolarHBondContact O-N 3.07Å; R307-Q309 PolarHBondContact O-N 3.16Å; R307-R310 CarbonylContact O-C 3.53Å; R307-G312 PolarHBondContact NH1-O 3.43Å; R307-A313 VanDerWaalsContact CD-O 3.26Å; R307-A313 WeakPolarHBondContact CD-O 3.35Å; R307-A313 HydrophobicContact CG-CB 3.89Å; R307-A313 WeakPolarHBondContact CG-O 3.15Å; R307-A313 PolarHBondContact NH1-O 2.96Å; R307-V314 PolarHBondContact NH1-O 3.05Å
308	A	97	Very high	96.2	Very high	9 Å²	9	29 Å²	29	7%	0.074	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-25.5	173.7	0	0	0	0	0	112.5	K96 A97 A98 Y122 R304 K305 V306	K96-A308 WeakPolarHBondContact O-CA 3.38Å; K96-A308 VanDerWaalsContact O-CB 3.28Å; K96-A308 WeakPolarHBondContact O-CB 3.26Å; A97-A308 CarbonylContact C-O 3.55Å; A97-A308 WeakPolarHBondContact CA-O 3.07Å; A98-A308 HydrophobicContact CB-CB 4.44Å; A98-A308 PolarHBondContact N-O 2.81Å; Y122-A308 WeakPolarHBondContact CD2-O 3.31Å; R304-A308 PolarHBondContact O-N 3.15Å; K305-A308 WeakPolarHBondContact O-CB 3.44Å; K305-A308 PolarHBondContact O-N 3.39Å; K305-A308 VanDerWaalsContact O-N 3.16Å; V306-A308 VanDerWaalsContact C-N 3.35Å
309	Q	97.9	Very high	96.1	Very high	11 Å²	11	29.3 Å²	29.3	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-96.4	-31.4	178.5	-64.1	-174.5	-69.9	0	0	114	A98 T125 V143 D144 K305 V306 R307	A98-Q309 HydrophobicContact CB-CG 4.46Å; T125-Q309 WeakPolarHBondContact CB-O 3.43Å; T125-Q309 HydrophobicContact CG2-CB 4.22Å; T125-Q309 HydrophobicContact CG2-CG 4.36Å; T125-Q309 PolarHBondContact OG1-O 2.82Å; V143-Q309 HydrophobicContact CG2-CB 4.04Å; D144-Q309 PolarHBondContact OD1-NE2 2.93Å; K305-Q309 PolarHBondContact O-N 3.46Å; V306-Q309 PolarHBondContact O-N 3.14Å; R307-Q309 PolarHBondContact O-N 3.16Å
310	R	97.7	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-127.5	105.6	175	-177.8	69.9	178.3	-174.2	-3.8	109.6	H139 S141 V143 L154 A273 I275 V306 R307 G312 A313	H139-R310 PolarHBondContact CE1-NH1 3.04Å; H139-R310 PolarHBondContact CE1-NH2 3.23Å; H139-R310 PolarHBondContact ND1-NH1 3.16Å; H139-R310 PolarHBondContact ND1-NH2 2.93Å; H139-R310 VanDerWaalsContact ND1-NH2 3.2Å; H139-R310 PolarHBondContact NE2-NH2 3.46Å; H139-R310 PolarHBondContact O-NH1 3.31Å; H139-R310 PolarHBondContact O-NH2 2.92Å; S141-R310 VanDerWaalsContact OG-CD 3.3Å; S141-R310 WeakPolarHBondContact OG-CD 3.08Å; S141-R310 PolarHBondContact OG-NH1 3.07Å; V143-R310 HydrophobicContact CG2-CB 3.96Å; L154-R310 HydrophobicContact CB-CG 4.14Å; L154-R310 HydrophobicContact CD1-CB 4.21Å; L154-R310 HydrophobicContact CD1-CG 4.19Å; L154-R310 VanDerWaalsContact O-CZ 3.23Å; L154-R310 PolarHBondContact O-NH1 3.35Å; L154-R310 VanDerWaalsContact O-NH1 3.13Å; A273-R310 PolarHBondContact O-NH2 2.94Å; I275-R310 HydrophobicContact CG2-CG 4.24Å; V306-R310 PolarHBondContact O-N 2.77Å; R307-R310 CarbonylContact O-C 3.53Å; R310-G312 PolarHBondContact O-N 3.03Å; R310-A313 HydrophobicContact CB-CB 4.21Å; R310-A313 HydrophobicContact CG-CB 4.43Å; R310-A313 WeakPolarHBondContact O-CB 3.26Å; R310-A313 PolarHBondContact O-N 2.86Å
311	A	95.5	Very high	95.9	Very high	8 Å²	8	29.9 Å²	29.9	7%	0.066	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	133	175.8	0	0	0	0	0	111.5	Y122 I275 A313	Y122-A311 HydrophobicContact CD1-CB 4.11Å; Y122-A311 HydrophobicContact CD2-CB 4.12Å; Y122-A311 HydrophobicContact CE1-CB 3.74Å; Y122-A311 HydrophobicContact CE2-CB 3.75Å; Y122-A311 HydrophobicContact CG-CB 4.28Å; I275-A311 VanDerWaalsContact CG2-O 3.22Å; I275-A311 WeakPolarHBondContact CG2-O 3.4Å; A311-A313 PolarHBondContact O-N 2.72Å
312	G	95.2	Very high	95.8	Very high	23 Å²	23	30.8 Å²	30.8	24%	0.237	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	3.6	179.2	0	0	0	0	0	116.4	I275 R307 R310 V314	I275-G312 WeakPolarHBondContact CD1-O 3.06Å; R307-G312 PolarHBondContact NH1-O 3.43Å; R310-G312 PolarHBondContact O-N 3.03Å; G312-V314 CarbonylContact O-C 3.54Å; G312-V314 PolarHBondContact O-N 3.28Å
313	A	97.2	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.147	C	C	.	.			trans	-53.5	134.8	179.8	0	0	0	0	0	113.7	I275 A279 V306 R307 R310 A311	I275-A313 WeakPolarHBondContact O-CA 3.45Å; A279-A313 HydrophobicContact CB-CB 3.56Å; V306-A313 HydrophobicContact CG1-CB 3.95Å; R307-A313 VanDerWaalsContact CD-O 3.26Å; R307-A313 WeakPolarHBondContact CD-O 3.35Å; R307-A313 HydrophobicContact CG-CB 3.89Å; R307-A313 WeakPolarHBondContact CG-O 3.15Å; R307-A313 PolarHBondContact NH1-O 2.96Å; R310-A313 HydrophobicContact CB-CB 4.21Å; R310-A313 HydrophobicContact CG-CB 4.43Å; R310-A313 WeakPolarHBondContact O-CB 3.26Å; R310-A313 PolarHBondContact O-N 2.86Å; A311-A313 PolarHBondContact O-N 2.72Å
314	V	95.9	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	61.3	108.1	-161.2	-168.9	0	0	0	0	110.7	F89 I275 A279 I283 T303 R307 G312 Q319 L323	F89-V314 HydrophobicContact CD2-CG1 4.36Å; F89-V314 HydrophobicContact CE2-CB 4.28Å; F89-V314 HydrophobicContact CE2-CG1 3.87Å; F89-V314 WeakPolarHBondContact CE2-O 3.46Å; I275-V314 PolarHBondContact O-N 3.04Å; A279-V314 HydrophobicContact CB-CG2 4.25Å; I283-V314 HydrophobicContact CD1-CG2 3.35Å; T303-V314 HydrophobicContact CG2-CB 4.44Å; T303-V314 HydrophobicContact CG2-CG2 3.96Å; R307-V314 PolarHBondContact NH1-O 3.05Å; G312-V314 CarbonylContact O-C 3.54Å; G312-V314 PolarHBondContact O-N 3.28Å; V314-Q319 HydrophobicContact CG1-CB 3.73Å; V314-L323 HydrophobicContact CG2-CD1 4.16Å
315	Q	93.7	Very high	95.5	Very high	102 Å²	102	33 Å²	33	48%	0.477	16%	0.157	S	C	.	.			trans	-93.4	-22.6	-167.7	-168.7	174.5	29.7	0	0	113.3	I275	I275-Q315 HydrophobicContact CD1-CB 4.25Å; I275-Q315 HydrophobicContact CD1-CG 4.03Å
316	T	93.7	Very high	95.3	Very high	46 Å²	46	32 Å²	32	28%	0.282	15%	0.153	S	C	.	.	S	Bend	trans	-135.6	151.8	-176.8	73	0	0	0	0	112.2	W318 Q319 Y320	T316-W318 PolarHBondContact O-N 2.93Å; T316-Q319 WeakPolarHBondContact O-CB 3.24Å; T316-Q319 PolarHBondContact O-N 3.44Å; T316-Q319 VanDerWaalsContact O-N 3.08Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.13Å; T316-Q319 PolarHBondContact OG1-N 2.87Å; T316-Q319 VanDerWaalsContact OG1-N 3.16Å; T316-Y320 PolarHBondContact O-N 3.1Å; T316-Y320 VanDerWaalsContact O-N 3.14Å
317	P	93.4	Very high	95.2	Very high	34 Å²	34	32 Å²	32	22%	0.221	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-24.1	174.4	26.1	-35	0	0	0	112.3	F86 F89 Y320 L321	F86-P317 HydrophobicContact CB-CB 4.36Å; F86-P317 HydrophobicContact CD1-CB 3.84Å; F86-P317 HydrophobicContact CD2-CB 3.74Å; F86-P317 HydrophobicContact CD2-CG 3.98Å; F86-P317 HydrophobicContact CE1-CB 3.97Å; F86-P317 HydrophobicContact CE2-CB 3.89Å; F86-P317 HydrophobicContact CE2-CG 3.9Å; F86-P317 HydrophobicContact CG-CB 3.71Å; F86-P317 HydrophobicContact CG-CG 4.45Å; F86-P317 HydrophobicContact CZ-CB 4Å; F86-P317 HydrophobicContact CZ-CG 4.3Å; F89-P317 HydrophobicContact CB-CB 4.36Å; F89-P317 HydrophobicContact CD1-CB 3.72Å; F89-P317 HydrophobicContact CD1-CG 4.31Å; F89-P317 HydrophobicContact CE1-CB 4.32Å; F89-P317 HydrophobicContact CG-CB 4.1Å; P317-Y320 PolarHBondContact O-N 3.48Å; P317-L321 WeakPolarHBondContact O-CB 3.4Å; P317-L321 PolarHBondContact O-N 3.22Å
318	W	92.9	Very high	95.1	Very high	158 Å²	158	33.2 Å²	33.2	60%	0.598	16%	0.16	S	C	*	.	H	α-helix	trans	-68	-40.4	172.9	-64.2	112.8	0	0	0	112.9	F86 T316 Y320 L321 F322	F86-W318 HydrophobicContact CE2-CH2 4.49Å; F86-W318 HydrophobicContact CE2-CZ2 4.16Å; F86-W318 AromaticContact CZ-CD2 3.84Å; F86-W318 HydrophobicContact CZ-CD2 3.84Å; F86-W318 AromaticContact CZ-CE2 3.86Å; F86-W318 AromaticContact CZ-CE3 3.85Å; F86-W318 HydrophobicContact CZ-CE3 3.85Å; F86-W318 AromaticContact CZ-CH2 3.91Å; F86-W318 HydrophobicContact CZ-CH2 3.91Å; F86-W318 AromaticContact CZ-CZ2 3.9Å; F86-W318 HydrophobicContact CZ-CZ2 3.9Å; F86-W318 AromaticContact CZ-CZ3 3.88Å; F86-W318 HydrophobicContact CZ-CZ3 3.88Å; T316-W318 PolarHBondContact O-N 2.93Å; W318-Y320 VanDerWaalsContact C-N 3.32Å; W318-L321 HydrophobicContact CE3-CD2 4.08Å; W318-L321 HydrophobicContact CZ3-CD2 4Å; W318-F322 VanDerWaalsContact O-CB 3.23Å; W318-F322 WeakPolarHBondContact O-CB 3.31Å; W318-F322 PolarHBondContact O-N 3.01Å
319	Q	93.8	Very high	94.8	Very high	39 Å²	39	34 Å²	34	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-39.2	172	-72.8	165.7	2.5	0	0	110.9	V314 T316 F322 L323	V314-Q319 HydrophobicContact CG1-CB 3.73Å; T316-Q319 WeakPolarHBondContact O-CB 3.24Å; T316-Q319 PolarHBondContact O-N 3.44Å; T316-Q319 VanDerWaalsContact O-N 3.08Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.13Å; T316-Q319 PolarHBondContact OG1-N 2.87Å; T316-Q319 VanDerWaalsContact OG1-N 3.16Å; Q319-F322 WeakPolarHBondContact O-CB 3.42Å; Q319-F322 PolarHBondContact O-N 3.31Å; Q319-L323 PolarHBondContact O-N 3.44Å
320	Y	95.6	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-50.3	175.6	-173.2	-112.9	0	0	0	112.4	L85 Q88 F89 L92 V299 A300 T303 T316 P317 W318 F322 L323 H324	L85-Y320 HydrophobicContact CD2-CE1 4.22Å; Q88-Y320 HydrophobicContact CB-CE1 4.41Å; Q88-Y320 HydrophobicContact CG-CE1 4.35Å; Q88-Y320 PolarHBondContact OE1-OH 2.96Å; F89-Y320 HydrophobicContact CB-CD1 3.78Å; F89-Y320 HydrophobicContact CB-CE1 4.44Å; F89-Y320 HydrophobicContact CB-CG 4.07Å; F89-Y320 HydrophobicContact CD2-CG 4.02Å; F89-Y320 HydrophobicContact CG-CG 4.47Å; L92-Y320 HydrophobicContact CD1-CD2 4.29Å; L92-Y320 HydrophobicContact CD1-CE1 4.39Å; L92-Y320 HydrophobicContact CD1-CE2 3.5Å; V299-Y320 HydrophobicContact CG1-CE2 4.16Å; A300-Y320 WeakPolarHBondContact CA-OH 3.37Å; A300-Y320 WeakPolarHBondContact CB-OH 3.31Å; T303-Y320 HydrophobicContact CG2-CD2 4.13Å; T303-Y320 HydrophobicContact CG2-CE2 4.11Å; T316-Y320 PolarHBondContact O-N 3.1Å; T316-Y320 VanDerWaalsContact O-N 3.14Å; P317-Y320 PolarHBondContact O-N 3.48Å; W318-Y320 VanDerWaalsContact C-N 3.32Å; Y320-F322 VanDerWaalsContact C-N 3.25Å; Y320-F322 PolarHBondContact O-N 3.12Å; Y320-L323 WeakPolarHBondContact O-CB 3.26Å; Y320-L323 PolarHBondContact O-N 3.2Å; Y320-L323 VanDerWaalsContact O-N 3.16Å; Y320-H324 AromaticContact CE1-CD2 3.92Å; Y320-H324 AromaticContact CE1-NE2 3.38Å; Y320-H324 WeakPolarHBondContact CE1-NE2 3.24Å; Y320-H324 AromaticContact CE2-NE2 3.76Å; Y320-H324 AromaticContact CZ-CD2 3.98Å; Y320-H324 AromaticContact CZ-NE2 3.15Å; Y320-H324 PolarHBondContact O-CD2 3.06Å; Y320-H324 PolarHBondContact O-N 2.96Å; Y320-H324 PolarHBondContact OH-NE2 2.91Å; Y320-H324 VanDerWaalsContact OH-NE2 3.1Å
321	L	94.6	Very high	94.6	Very high	29 Å²	29	34.4 Å²	34.4	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-57.7	-39.5	174.9	178.5	67	0	0	0	111.9	V82 L85 F86 P317 W318 L323 H324 Y325	V82-L321 HydrophobicContact CG1-CD1 4.3Å; V82-L321 HydrophobicContact CG1-CD2 3.96Å; V82-L321 HydrophobicContact CG2-CD1 4.19Å; L85-L321 HydrophobicContact CD1-CD1 3.76Å; F86-L321 HydrophobicContact CE1-CB 4.1Å; F86-L321 HydrophobicContact CE1-CD2 4.07Å; P317-L321 WeakPolarHBondContact O-CB 3.4Å; P317-L321 PolarHBondContact O-N 3.22Å; W318-L321 HydrophobicContact CE3-CD2 4.08Å; W318-L321 HydrophobicContact CZ3-CD2 4Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.41Å; L321-H324 PolarHBondContact O-N 3.19Å; L321-Y325 PolarHBondContact O-N 3.21Å
322	F	93.8	Very high	94.5	Very high	60 Å²	60	40.3 Å²	40.3	26%	0.263	19%	0.19	S	C	.	.	H	α-helix	trans	-59.8	-39	177.7	174.4	-91.6	0	0	0	112.5	T233 L236 T280 W318 Q319 Y320 Y325 A326	T233-F322 HydrophobicContact CG2-CE2 4.49Å; L236-F322 HydrophobicContact CD2-CE1 3.41Å; L236-F322 VanDerWaalsContact CD2-CE1 3.41Å; L236-F322 HydrophobicContact CD2-CZ 3.43Å; L236-F322 VanDerWaalsContact CD2-CZ 3.43Å; T280-F322 HydrophobicContact CG2-CD1 3.94Å; T280-F322 HydrophobicContact CG2-CE1 4.35Å; W318-F322 VanDerWaalsContact O-CB 3.23Å; W318-F322 WeakPolarHBondContact O-CB 3.31Å; W318-F322 PolarHBondContact O-N 3.01Å; Q319-F322 WeakPolarHBondContact O-CB 3.42Å; Q319-F322 PolarHBondContact O-N 3.31Å; Y320-F322 VanDerWaalsContact C-N 3.25Å; Y320-F322 PolarHBondContact O-N 3.12Å; F322-Y325 PolarHBondContact O-N 2.85Å; F322-A326 HydrophobicContact CE1-CB 4.18Å; F322-A326 HydrophobicContact CZ-CB 4.27Å; F322-A326 WeakPolarHBondContact O-CB 3.26Å; F322-A326 PolarHBondContact O-N 2.62Å
323	L	95.8	Very high	94.4	Very high	1 Å²	1	43 Å²	43	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-46.7	175.5	-69.3	165.9	0	0	0	111.8	T280 I283 L284 V299 V314 Q319 Y320 L321 Y325 A326 I327	T280-L323 HydrophobicContact CG2-CD2 3.86Å; T280-L323 HydrophobicContact CG2-CG 4.14Å; T280-L323 WeakPolarHBondContact O-CD2 3.49Å; I283-L323 HydrophobicContact CB-CD1 4.08Å; I283-L323 HydrophobicContact CB-CD2 4.09Å; I283-L323 HydrophobicContact CD1-CD1 4.17Å; I283-L323 HydrophobicContact CG2-CD1 3.68Å; I283-L323 HydrophobicContact CG2-CD2 3.95Å; I283-L323 HydrophobicContact CG2-CG 4.36Å; L284-L323 HydrophobicContact CB-CD2 3.96Å; V299-L323 HydrophobicContact CG1-CB 3.64Å; V299-L323 HydrophobicContact CG1-CD1 4.33Å; V314-L323 HydrophobicContact CG2-CD1 4.16Å; Q319-L323 PolarHBondContact O-N 3.44Å; Y320-L323 WeakPolarHBondContact O-CB 3.26Å; Y320-L323 PolarHBondContact O-N 3.2Å; Y320-L323 VanDerWaalsContact O-N 3.16Å; L321-L323 VanDerWaalsContact C-N 3.31Å; L321-L323 PolarHBondContact O-N 3.41Å; L323-Y325 PolarHBondContact O-N 2.91Å; L323-A326 PolarHBondContact O-N 3.28Å; L323-I327 WeakPolarHBondContact O-CG1 3.1Å; L323-I327 PolarHBondContact O-N 3.06Å; L323-I327 VanDerWaalsContact O-N 3.15Å
324	H	95.6	Very high	94.3	Very high	5 Å²	5	45.8 Å²	45.8	2%	0.023	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-44.3	174.8	-70.8	-91.2	0	0	0	111.5	W73 T77 Y320 L321 L328	W73-H324 HydrophobicContact CH2-CB 4.44Å; W73-H324 WeakPolarHBondContact CH2-O 3.23Å; W73-H324 HydrophobicContact CZ2-CB 4.34Å; W73-H324 AromaticContact CZ2-ND1 3.35Å; W73-H324 VanDerWaalsContact CZ2-ND1 3.35Å; W73-H324 WeakPolarHBondContact CZ2-ND1 3.47Å; T77-H324 HydrophobicContact CG2-CB 4.21Å; Y320-H324 AromaticContact CE1-CD2 3.92Å; Y320-H324 AromaticContact CE1-NE2 3.38Å; Y320-H324 WeakPolarHBondContact CE1-NE2 3.24Å; Y320-H324 AromaticContact CE2-NE2 3.76Å; Y320-H324 AromaticContact CZ-CD2 3.98Å; Y320-H324 AromaticContact CZ-NE2 3.15Å; Y320-H324 PolarHBondContact O-CD2 3.06Å; Y320-H324 PolarHBondContact O-N 2.96Å; Y320-H324 PolarHBondContact OH-NE2 2.91Å; Y320-H324 VanDerWaalsContact OH-NE2 3.1Å; L321-H324 PolarHBondContact O-N 3.19Å; H324-L328 WeakPolarHBondContact O-CB 3.17Å; H324-L328 WeakPolarHBondContact O-CG 3.37Å; H324-L328 PolarHBondContact O-N 2.93Å
325	Y	93.5	Very high	94.2	Very high	125 Å²	125	48.4 Å²	48.4	49%	0.49	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-44.6	178.4	179.8	-107.6	0	0	0	112.7	T233 L321 F322 L323 I327 L328 V329	T233-Y325 HydrophobicContact CG2-CD1 4.25Å; T233-Y325 HydrophobicContact CG2-CE1 4.24Å; T233-Y325 WeakPolarHBondContact OG1-CE1 3.05Å; L321-Y325 PolarHBondContact O-N 3.21Å; F322-Y325 PolarHBondContact O-N 2.85Å; L323-Y325 PolarHBondContact O-N 2.91Å; Y325-I327 PolarHBondContact O-N 3.15Å; Y325-L328 PolarHBondContact O-N 3.34Å; Y325-V329 HydrophobicContact CD1-CG2 4.27Å; Y325-V329 HydrophobicContact CD2-CG2 4.27Å; Y325-V329 HydrophobicContact CE1-CG2 3.83Å; Y325-V329 HydrophobicContact CE2-CG2 3.83Å; Y325-V329 HydrophobicContact CG-CG2 4.48Å; Y325-V329 WeakPolarHBondContact O-CG2 3.41Å; Y325-V329 PolarHBondContact O-N 3.48Å
326	A	93.7	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-44.4	-179.6	0	0	0	0	0	112.3	T233 L284 F322 L323 V329 H330	T233-A326 HydrophobicContact CG2-CB 3.81Å; L284-A326 HydrophobicContact CD1-CB 3.84Å; F322-A326 HydrophobicContact CE1-CB 4.18Å; F322-A326 HydrophobicContact CZ-CB 4.27Å; F322-A326 WeakPolarHBondContact O-CB 3.26Å; F322-A326 PolarHBondContact O-N 2.62Å; L323-A326 PolarHBondContact O-N 3.28Å; A326-V329 PolarHBondContact O-N 3.44Å; A326-H330 PolarHBondContact O-N 2.81Å
327	I	96.3	Very high	94.1	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-38.4	176.7	-64.3	-59.1	0	0	0	111.8	I70 W73 L284 C287 L288 V297 V299 L323 Y325 H330 A331	I70-I327 HydrophobicContact CD1-CG2 4.45Å; W73-I327 HydrophobicContact CE3-CG2 4.47Å; W73-I327 HydrophobicContact CH2-CB 3.87Å; W73-I327 HydrophobicContact CH2-CG2 3.7Å; W73-I327 HydrophobicContact CZ2-CG2 4.42Å; W73-I327 HydrophobicContact CZ3-CB 4.31Å; W73-I327 HydrophobicContact CZ3-CG2 3.73Å; L284-I327 HydrophobicContact CD1-CD1 3.85Å; L284-I327 HydrophobicContact CD1-CG1 4.39Å; C287-I327 HydrophobicContact CB-CD1 3.47Å; C287-I327 VanDerWaalsContact CB-CD1 3.47Å; C287-I327 HydrophobicContact CB-CG1 3.87Å; L288-I327 HydrophobicContact CD2-CD1 4.04Å; L288-I327 HydrophobicContact CG-CD1 4.27Å; V297-I327 HydrophobicContact CB-CG2 4.2Å; V297-I327 HydrophobicContact CG1-CG2 3.91Å; V297-I327 HydrophobicContact CG2-CG2 3.93Å; V299-I327 HydrophobicContact CG2-CG1 4.17Å; L323-I327 WeakPolarHBondContact O-CG1 3.1Å; L323-I327 PolarHBondContact O-N 3.06Å; L323-I327 VanDerWaalsContact O-N 3.15Å; Y325-I327 PolarHBondContact O-N 3.15Å; I327-H330 PolarHBondContact O-N 3.29Å; I327-A331 WeakPolarHBondContact O-CB 3.15Å; I327-A331 PolarHBondContact O-N 3.27Å
328	L	93.7	Very high	93.5	Very high	46 Å²	46	47 Å²	47	24%	0.241	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-42	173.3	-76.6	170.1	0	0	0	112.9	W73 K74 T77 H324 Y325 K332 I337	W73-L328 HydrophobicContact CE3-CD2 4.27Å; W73-L328 HydrophobicContact CH2-CD2 4.34Å; W73-L328 HydrophobicContact CH2-CG 3.91Å; W73-L328 HydrophobicContact CZ3-CD2 3.58Å; W73-L328 HydrophobicContact CZ3-CG 3.62Å; K74-L328 HydrophobicContact CB-CD2 4.16Å; K74-L328 HydrophobicContact CG-CD2 3.93Å; T77-L328 HydrophobicContact CG2-CD1 4.48Å; H324-L328 WeakPolarHBondContact O-CB 3.17Å; H324-L328 WeakPolarHBondContact O-CG 3.37Å; H324-L328 PolarHBondContact O-N 2.93Å; Y325-L328 PolarHBondContact O-N 3.34Å; L328-K332 WeakPolarHBondContact O-CB 3.27Å; L328-K332 PolarHBondContact O-N 3.4Å; L328-I337 HydrophobicContact CD2-CD1 4.11Å
329	V	92.1	Very high	92.5	Very high	26 Å²	26	43.9 Å²	43.9	16%	0.158	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-48.8	175.9	168.7	0	0	0	0	110.1	T233 K234 Y325 A326 K332 D333	T233-V329 HydrophobicContact CG2-CB 4.26Å; T233-V329 HydrophobicContact CG2-CG1 4.34Å; T233-V329 HydrophobicContact CG2-CG2 4.43Å; K234-V329 HydrophobicContact CG-CG1 4.37Å; Y325-V329 HydrophobicContact CD1-CG2 4.27Å; Y325-V329 HydrophobicContact CD2-CG2 4.27Å; Y325-V329 HydrophobicContact CE1-CG2 3.83Å; Y325-V329 HydrophobicContact CE2-CG2 3.83Å; Y325-V329 HydrophobicContact CG-CG2 4.48Å; Y325-V329 WeakPolarHBondContact O-CG2 3.41Å; Y325-V329 PolarHBondContact O-N 3.48Å; A326-V329 PolarHBondContact O-N 3.44Å; V329-K332 PolarHBondContact O-N 3.41Å; V329-D333 PolarHBondContact O-N 3.28Å
330	H	95.3	Very high	91.2	Very high	19 Å²	19	51.7 Å²	51.7	9%	0.088	27%	0.27	C	S	.	.	H	α-helix	trans	-68.3	-42.5	-177	-160.3	42.5	0	0	0	113	I237 Y241 L288 L291 A326 I327 K332 D333 L334	I237-H330 HydrophobicContact CD1-CB 3.85Å; Y241-H330 AromaticContact CE2-CE1 3.87Å; Y241-H330 AromaticContact CE2-NE2 3.56Å; Y241-H330 AromaticContact CZ-NE2 3.58Å; Y241-H330 PolarHBondContact OH-CD2 2.91Å; Y241-H330 PolarHBondContact OH-NE2 3.28Å; L288-H330 HydrophobicContact CD2-CB 4.2Å; L288-H330 WeakPolarHBondContact CD2-CD2 3.31Å; L291-H330 HydrophobicContact CD2-CB 4.36Å; A326-H330 PolarHBondContact O-N 2.81Å; I327-H330 PolarHBondContact O-N 3.29Å; H330-K332 PolarHBondContact O-N 3.38Å; H330-D333 PolarHBondContact O-N 2.93Å; H330-L334 WeakPolarHBondContact O-CB 3.47Å; H330-L334 WeakPolarHBondContact O-CG 3.46Å; H330-L334 PolarHBondContact O-N 3.1Å
331	A	96	Very high	88.7	Confident	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.5	-27.1	176.1	0	0	0	0	0	113.2	I70 L291 I327 Y336 I337	I70-A331 HydrophobicContact CD1-CB 3.67Å; I70-A331 HydrophobicContact CG1-CB 3.69Å; L291-A331 HydrophobicContact CD1-CB 4.05Å; L291-A331 HydrophobicContact CD2-CB 4.03Å; I327-A331 WeakPolarHBondContact O-CB 3.15Å; I327-A331 PolarHBondContact O-N 3.27Å; A331-Y336 PolarHBondContact O-N 3.32Å; A331-I337 HydrophobicContact CB-CD1 3.6Å; A331-I337 HydrophobicContact CB-CG1 4Å; A331-I337 PolarHBondContact O-N 3.03Å
332	K	93.7	Very high	86.1	Confident	132 Å²	132	67.7 Å²	67.7	57%	0.574	34%	0.341	S	S	*	.	H	α-helix	trans	-74.2	-45.4	169.7	-172.8	-168	173.9	-168.2	0	111.5	L328 V329 H330 L334 G335	L328-K332 WeakPolarHBondContact O-CB 3.27Å; L328-K332 PolarHBondContact O-N 3.4Å; V329-K332 PolarHBondContact O-N 3.41Å; H330-K332 PolarHBondContact O-N 3.38Å; K332-L334 PolarHBondContact O-N 2.88Å; K332-G335 PolarHBondContact O-N 2.85Å
333	D	92.8	Very high	83.5	Confident	81 Å²	81	70.2 Å²	70.2	43%	0.433	36%	0.362	S	S	.	.	H	α-helix	trans	-62.3	-31.9	178.2	-72.4	-20.9	0	0	0	112.4	K234 V329 H330 G335	K234-D333 VanDerWaalsContact CE-OD2 3.25Å; K234-D333 WeakPolarHBondContact CE-OD2 3.5Å; K234-D333 IonicContact NZ-OD1 2.74Å; K234-D333 PolarHBondContact NZ-OD1 2.97Å; K234-D333 IonicContact NZ-OD2 3.22Å; K234-D333 PolarHBondContact NZ-OD2 2.78Å; V329-D333 PolarHBondContact O-N 3.28Å; H330-D333 PolarHBondContact O-N 2.93Å; D333-G335 VanDerWaalsContact C-N 3.3Å
334	L	94.4	Very high	80.8	Confident	57 Å²	57	76.3 Å²	76.3	30%	0.298	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-2.1	173	-67.1	174.9	0	0	0	114.2	L291 L292 H330 K332 Y336	L291-L334 HydrophobicContact CD2-CD1 4.05Å; L291-L334 HydrophobicContact CG-CD1 4.21Å; L292-L334 HydrophobicContact CD2-CD1 3.79Å; L292-L334 HydrophobicContact CD2-CD2 4.25Å; H330-L334 WeakPolarHBondContact O-CB 3.47Å; H330-L334 WeakPolarHBondContact O-CG 3.46Å; H330-L334 PolarHBondContact O-N 3.1Å; K332-L334 PolarHBondContact O-N 2.88Å; L334-Y336 VanDerWaalsContact C-N 3.25Å; L334-Y336 HydrophobicContact CB-CD1 4.28Å; L334-Y336 HydrophobicContact CB-CD2 3.99Å; L334-Y336 HydrophobicContact CB-CE1 4.2Å; L334-Y336 HydrophobicContact CB-CE2 3.92Å; L334-Y336 HydrophobicContact CB-CG 4.17Å; L334-Y336 HydrophobicContact CD1-CD2 4.09Å; L334-Y336 HydrophobicContact CD1-CE2 3.54Å; L334-Y336 HydrophobicContact CG-CE2 4.36Å; L334-Y336 WeakPolarHBondContact O-CD1 3.39Å; L334-Y336 PolarHBondContact O-N 3.08Å
335	G	94.8	Very high	78.4	Confident	56 Å²	56	84.1 Å²	84.1	58%	0.577	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-3.6	-179	0	0	0	0	0	116.1	K332 D333 I337	K332-G335 PolarHBondContact O-N 2.85Å; D333-G335 VanDerWaalsContact C-N 3.3Å; G335-I337 PolarHBondContact O-N 3.35Å; G335-I337 VanDerWaalsContact O-N 3.14Å
336	Y	94.5	Very high	75.8	Confident	54 Å²	54	86.3 Å²	86.3	21%	0.212	45%	0.445	C	S	.	.	S	Bend	trans	-68.8	-10.7	-179.2	-53.5	-23.3	0	0	0	114.4	L291 Q295 A331 L334	L291-Y336 HydrophobicContact CD1-CD2 3.79Å; L291-Y336 HydrophobicContact CD1-CE2 4.2Å; L291-Y336 HydrophobicContact CG-CD2 4.16Å; L291-Y336 HydrophobicContact CG-CE2 4.13Å; L291-Y336 WeakPolarHBondContact O-CE2 3.26Å; Q295-Y336 HydrophobicContact CG-CD1 4.42Å; Q295-Y336 HydrophobicContact CG-CD2 4.04Å; Q295-Y336 HydrophobicContact CG-CE1 4.27Å; Q295-Y336 HydrophobicContact CG-CE2 3.85Å; Q295-Y336 HydrophobicContact CG-CG 4.33Å; A331-Y336 PolarHBondContact O-N 3.32Å; L334-Y336 VanDerWaalsContact C-N 3.25Å; L334-Y336 HydrophobicContact CB-CD1 4.28Å; L334-Y336 HydrophobicContact CB-CD2 3.99Å; L334-Y336 HydrophobicContact CB-CE1 4.2Å; L334-Y336 HydrophobicContact CB-CE2 3.92Å; L334-Y336 HydrophobicContact CB-CG 4.17Å; L334-Y336 HydrophobicContact CD1-CD2 4.09Å; L334-Y336 HydrophobicContact CD1-CE2 3.54Å; L334-Y336 HydrophobicContact CG-CE2 4.36Å; L334-Y336 WeakPolarHBondContact O-CD1 3.39Å; L334-Y336 PolarHBondContact O-N 3.08Å
337	I	89.8	Confident	73.5	Confident	12 Å²	12	90.8 Å²	90.8	6%	0.062	48%	0.481	C	S	.	.	S	Bend	trans	-120	113.6	173	-64	176.1	0	0	0	108.1	I70 K74 L328 A331 G335 S339	I70-I337 HydrophobicContact CD1-CD1 4.43Å; I70-I337 HydrophobicContact CG1-CD1 4.18Å; I70-I337 HydrophobicContact CG1-CG1 4.1Å; K74-I337 HydrophobicContact CB-CD1 4.3Å; K74-I337 HydrophobicContact CD-CD1 4.13Å; K74-I337 HydrophobicContact CD-CG1 4.34Å; K74-I337 HydrophobicContact CD-CG2 3.6Å; K74-I337 HydrophobicContact CG-CD1 4.29Å; L328-I337 HydrophobicContact CD2-CD1 4.11Å; A331-I337 HydrophobicContact CB-CD1 3.6Å; A331-I337 HydrophobicContact CB-CG1 4Å; A331-I337 PolarHBondContact O-N 3.03Å; G335-I337 PolarHBondContact O-N 3.35Å; G335-I337 VanDerWaalsContact O-N 3.14Å; I337-S339 PolarHBondContact O-N 2.93Å
338	P	82.1	Confident	70.8	Confident	86 Å²	86	102.2 Å²	102.2	56%	0.558	54%	0.543	S	S	*	.			trans	-53.8	131	173.7	-27.2	34.6	0	0	0	111.4
339	S	70.4	Confident	69.7	Low	93 Å²	93	105 Å²	105	65%	0.65	56%	0.558	S	S	*	*			trans	-52.9	138.1	152.3	45.6	0	0	0	0	107.7	I337 E341	I337-S339 PolarHBondContact O-N 2.93Å; S339-E341 PolarHBondContact O-N 3.34Å; S339-E341 VanDerWaalsContact O-N 3.14Å
340	K	66.1	Low	68.5	Low	203 Å²	203	109.2 Å²	109.2	88%	0.883	58%	0.579	S	S	*	*			trans	-43	127.4	177.5	-78.5	-172.5	173.1	-171.4	0	108.9	K342	K340-K342 PolarHBondContact O-N 3.3Å
341	E	44.4	Very low	67	Low	175 Å²	175	114.2 Å²	114.2	82%	0.818	61%	0.606	S	S	*	*			trans	-48	136	165.6	-70.6	166.7	156.2	0	0	107.6	S339 T343	S339-E341 PolarHBondContact O-N 3.34Å; S339-E341 VanDerWaalsContact O-N 3.14Å; E341-T343 PolarHBondContact O-N 3.09Å
342	K	39.2	Very low	65.3	Low	189 Å²	189	120.9 Å²	120.9	82%	0.822	64%	0.642	S	S	*	*			trans	-58.9	112.5	163.8	-69.5	-179.8	179.6	179.1	0	104.9	K340 N344	K340-K342 PolarHBondContact O-N 3.3Å; K342-N344 PolarHBondContact O-N 3.07Å
343	T	40.3	Very low	63.5	Low	114 Å²	114	120.2 Å²	120.2	70%	0.699	65%	0.646	S	S	*	*			trans	-61.9	98	165.1	42.6	0	0	0	0	105.9	E341 H345	E341-T343 PolarHBondContact O-N 3.09Å; T343-H345 PolarHBondContact O-N 3.27Å
344	N	37.3	Very low	61.6	Low	129 Å²	129	122.8 Å²	122.8	69%	0.69	66%	0.66	S	S	*	*			trans	-64.3	94.1	171	-78.8	-7.9	0	0	0	106.7	K342 H346	K342-N344 PolarHBondContact O-N 3.07Å; N344-H346 PolarHBondContact O-N 3.47Å
345	H	45.4	Very low	59.2	Low	168 Å²	168	127.5 Å²	127.5	78%	0.778	69%	0.686	S	S	*	*			trans	-72.1	71.5	160.9	-74.8	-45.2	0	0	0	108.3	T343	T343-H345 PolarHBondContact O-N 3.27Å
346	H	40.1	Very low	56.5	Low	172 Å²	172	133 Å²	133	80%	0.796	69%	0.694	S	S	*	*			trans	-116	75.2	156.4	-71.4	-11.7	0	0	0	105.8	N344	N344-H346 PolarHBondContact O-N 3.47Å
347	A	45.7	Very low	53.3	Low	93 Å²	93	139.6 Å²	139.6	77%	0.769	73%	0.734	S	S	*	*			trans	-91.6	144.1	149.6	0	0	0	0	0	106.3
348	N	39	Very low	50	Low	241 Å²	241	151.2 Å²	151.2	100%	1.289	80%	0.796	S	S	*	*			trans	-59.9	0	-172.9	-57.4	-30.8	0	0	0	113.7

Retrieved 348 of 348 residues in 302.2 ms (Link to these results)

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