A0A3Q0KR31_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KR31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 682 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	40	Very low	39.7	Very low	217 Å²	217	118.9 Å²	118.9	100%	1.069	63%	0.634	S	S	*	*				0	-25.9	0	-66.4	-162	86.6	0	0	113.1	S3	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.33Å
2	S	37.5	Very low	39.3	Very low	97 Å²	97	116.2 Å²	116.2	68%	0.678	63%	0.631	S	S	*	*	H	α-helix	trans	-57.5	-35.9	179.1	38.8	0	0	0	0	115.3	C4 E5	S2-C4 PolarHBondContact O-N 3.47Å; S2-C4 VanDerWaalsContact O-N 3.09Å; S2-E5 PolarHBondContact O-N 3.17Å
3	S	50.3	Low	38.8	Very low	86 Å²	86	122.3 Å²	122.3	60%	0.601	64%	0.64	S	S	*	*	H	α-helix	trans	-67.6	-9.9	-173.5	62.1	0	0	0	0	116.4	M1	M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.33Å
4	C	39.1	Very low	38.3	Very low	87 Å²	87	126.3 Å²	126.3	59%	0.588	65%	0.649	S	S	*	*	H	α-helix	trans	-94.6	-29.3	179.3	-65.5	0	0	0	0	112.8	S2 F8	S2-C4 PolarHBondContact O-N 3.47Å; S2-C4 VanDerWaalsContact O-N 3.09Å; C4-F8 PolarHBondContact O-N 3.21Å
5	E	38.4	Very low	37.7	Very low	130 Å²	130	124.3 Å²	124.3	61%	0.607	65%	0.645	S	S	*	*	H	α-helix	trans	-71.3	-40.7	-179.2	-138.2	69.8	-153	0	0	111.1	S2 L7 F8 Q9	S2-E5 PolarHBondContact O-N 3.17Å; E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.32Å; E5-F8 PolarHBondContact O-N 3.2Å; E5-F8 VanDerWaalsContact O-N 3.12Å; E5-Q9 PolarHBondContact O-N 2.84Å
6	D	43.7	Very low	37	Very low	116 Å²	116	124.8 Å²	124.8	62%	0.62	65%	0.649	S	S	*	*	H	α-helix	trans	-61.3	-38.5	177.7	-65.5	-31.6	0	0	0	112.1	S10	D6-S10 WeakPolarHBondContact O-CB 3.32Å; D6-S10 PolarHBondContact O-N 3.32Å
7	L	41.4	Very low	36.6	Very low	107 Å²	107	125.1 Å²	125.1	56%	0.56	65%	0.65	S	S	*	*	H	α-helix	trans	-63.8	-42.4	174.5	-109.8	159.4	0	0	0	111.2	E5 S10 F11	E5-L7 VanDerWaalsContact C-N 3.3Å; E5-L7 PolarHBondContact O-N 3.32Å; L7-S10 PolarHBondContact O-N 3.35Å; L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.42Å; L7-F11 PolarHBondContact O-N 3.09Å
8	F	38	Very low	36.2	Very low	153 Å²	153	122.8 Å²	122.8	67%	0.671	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-41.8	178.7	-138.4	-89.7	0	0	0	112.1	C4 E5 S10 F11 S12	C4-F8 PolarHBondContact O-N 3.21Å; E5-F8 PolarHBondContact O-N 3.2Å; E5-F8 VanDerWaalsContact O-N 3.12Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.02Å; F8-F11 PolarHBondContact O-N 3.11Å; F8-S12 PolarHBondContact O-N 2.91Å; F8-S12 VanDerWaalsContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 2.91Å
9	Q	38.3	Very low	35.8	Very low	98 Å²	98	123.5 Å²	123.5	46%	0.458	65%	0.651	S	S	.	*	H	α-helix	trans	-66.1	-32.1	174.8	-69.3	-149	26.7	0	0	113.1	E5 F11 S12 R13	E5-Q9 PolarHBondContact O-N 2.84Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3.09Å; Q9-S12 PolarHBondContact O-N 3.25Å; Q9-R13 WeakPolarHBondContact O-CG 3.25Å; Q9-R13 PolarHBondContact O-N 3.33Å
10	S	36.4	Very low	35.4	Very low	65 Å²	65	125.4 Å²	125.4	46%	0.455	66%	0.659	S	S	.	*	H	α-helix	trans	-61.5	-39.4	173.3	-179.5	0	0	0	0	112.2	D6 L7 F8	D6-S10 WeakPolarHBondContact O-CB 3.32Å; D6-S10 PolarHBondContact O-N 3.32Å; L7-S10 PolarHBondContact O-N 3.35Å; F8-S10 VanDerWaalsContact C-N 3.32Å; F8-S10 PolarHBondContact O-N 3.02Å
11	F	34.1	Very low	35	Very low	152 Å²	152	125 Å²	125	67%	0.667	67%	0.667	S	S	*	*	H	α-helix	trans	-74.7	-39	177.7	-84.6	-75.9	0	0	0	112.7	L7 F8 Q9 R13	L7-F11 HydrophobicContact CD2-CD2 4.46Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.42Å; L7-F11 PolarHBondContact O-N 3.09Å; F8-F11 PolarHBondContact O-N 3.11Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-F11 PolarHBondContact O-N 3.09Å; F11-R13 VanDerWaalsContact C-N 3.34Å; F11-R13 PolarHBondContact O-N 2.86Å
12	S	34.1	Very low	34.5	Very low	86 Å²	86	119 Å²	119	60%	0.601	65%	0.646	S	S	*	*	H	α-helix	trans	-72.4	-18.9	-179.1	-62	0	0	0	0	115.2	F8 Q9	F8-S12 PolarHBondContact O-N 2.91Å; F8-S12 VanDerWaalsContact O-N 3.09Å; F8-S12 PolarHBondContact O-OG 2.91Å; Q9-S12 PolarHBondContact O-N 3.25Å
13	R	33.4	Very low	34.1	Very low	196 Å²	196	121.4 Å²	121.4	74%	0.74	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	-5.9	-179.8	-67.8	-171.9	-164.2	-167.2	8.2	115.4	Q9 F11	Q9-R13 WeakPolarHBondContact O-CG 3.25Å; Q9-R13 PolarHBondContact O-N 3.33Å; F11-R13 VanDerWaalsContact C-N 3.34Å; F11-R13 PolarHBondContact O-N 2.86Å
14	K	32.1	Very low	33	Very low	178 Å²	178	125 Å²	125	77%	0.774	66%	0.663	S	S	*	*	S	Bend	trans	-102.8	4.1	-174	-86.4	-170.5	171.4	-174.4	0	115.3
15	V	28.3	Very low	32.3	Very low	97 Å²	97	130.6 Å²	130.6	59%	0.588	68%	0.678	S	S	*	*			trans	-130.1	69.9	-172.7	-174.9	0	0	0	0	109.4	I17	V15-I17 HydrophobicContact CG1-CD1 3.37Å; V15-I17 HydrophobicContact CG1-CG1 3.58Å
16	D	27	Very low	31.6	Very low	131 Å²	131	128.6 Å²	128.6	70%	0.701	68%	0.683	S	S	*	*			trans	-92.8	95.1	169.5	-166.2	-0.6	0	0	0	108.7	S18	D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 PolarHBondContact O-N 2.83Å
17	I	30.2	Very low	30.7	Very low	131 Å²	131	130.1 Å²	130.1	67%	0.672	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-86.8	4	-171.3	-61.6	163.7	0	0	0	111.7	V15 N19	V15-I17 HydrophobicContact CG1-CD1 3.37Å; V15-I17 HydrophobicContact CG1-CG1 3.58Å; I17-N19 PolarHBondContact O-N 2.91Å; I17-N19 VanDerWaalsContact O-N 3.1Å
18	S	28.9	Very low	29.8	Very low	83 Å²	83	129.7 Å²	129.7	58%	0.58	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-66.3	-16.8	-174.2	75.6	0	0	0	0	115.1	D16	D16-S18 VanDerWaalsContact C-N 3.3Å; D16-S18 PolarHBondContact O-N 2.83Å
19	N	29.3	Very low	29.3	Very low	137 Å²	137	128 Å²	128	73%	0.733	71%	0.705	S	S	*	*	G	3₁₀ helix	trans	-120.3	28	-165	-67.8	-9.3	0	0	0	115.5	I17	I17-N19 PolarHBondContact O-N 2.91Å; I17-N19 VanDerWaalsContact O-N 3.1Å
20	I	27.7	Very low	28.5	Very low	160 Å²	160	130.2 Å²	130.2	82%	0.821	73%	0.725	S	S	*	*			trans	-113.7	64.7	168.5	-49.8	-178.7	0	0	0	109.9
21	S	27.1	Very low	27.9	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	75%	0.746	S	S	*	*	S	Bend	trans	-160.9	81.3	170.2	-165.6	0	0	0	0	112.2
22	S	30.2	Very low	27.4	Very low	91 Å²	91	134.5 Å²	134.5	64%	0.636	75%	0.753	S	S	*	*	S	Bend	trans	-163.3	-40.5	161.8	51.3	0	0	0	0	113.4	L24	S22-L24 PolarHBondContact O-N 2.96Å
23	D	28.4	Very low	27	Very low	148 Å²	148	139 Å²	139	79%	0.791	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	23.6	-156.8	-63.4	6.2	0	0	0	116.1
24	L	26.2	Very low	26.5	Very low	161 Å²	161	133.2 Å²	133.2	84%	0.843	77%	0.771	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	9.6	177.9	-82.9	170.2	0	0	0	114.8	S22	S22-L24 PolarHBondContact O-N 2.96Å
25	F	24.9	Very low	26.3	Very low	206 Å²	206	131.1 Å²	131.1	90%	0.904	77%	0.773	S	S	*	*			trans	-133.1	66.1	175.4	-64.7	-72.2	0	0	0	111.6
26	A	24.6	Very low	26.2	Very low	87 Å²	87	136.5 Å²	136.5	72%	0.719	79%	0.788	S	S	*	*			trans	-134.5	136.2	169.5	0	0	0	0	0	110.9
27	D	24.5	Very low	26.2	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	79%	0.787	S	S	*	*			trans	59.8	117.7	177.5	-63.9	-40.8	0	0	0	118.8
28	S	22.9	Very low	26.3	Very low	98 Å²	98	140 Å²	140	69%	0.685	80%	0.795	S	S	*	*			cis	87.5	112.6	37.7	92.3	0	0	0	0	114.2
29	S	25.8	Very low	26.8	Very low	119 Å²	119	141.6 Å²	141.6	83%	0.832	80%	0.803	S	S	*	*			trans	178.4	92.7	149.5	27.7	0	0	0	0	109
30	T	22	Very low	26.9	Very low	143 Å²	143	143.8 Å²	143.8	88%	0.877	81%	0.806	S	S	*	*			trans	-79.3	118.4	164.1	45.3	0	0	0	0	109.6
31	E	24.4	Very low	27.2	Very low	192 Å²	192	142.8 Å²	142.8	90%	0.897	80%	0.802	S	S	*	*			trans	-112.8	114.6	158.4	-79.3	-159.3	146.4	0	0	110.9
32	S	23.1	Very low	27.6	Very low	116 Å²	116	143.3 Å²	143.3	81%	0.811	79%	0.79	S	S	*	*			trans	-93.5	112	178.8	55.6	0	0	0	0	110.8
33	L	26.3	Very low	27.7	Very low	180 Å²	180	145.9 Å²	145.9	94%	0.942	79%	0.792	S	S	*	*			trans	-102.2	97.6	163.1	-80.6	169	0	0	0	109.8
34	G	22.5	Very low	27.9	Very low	75 Å²	75	144.8 Å²	144.8	77%	0.773	79%	0.786	S	S	*	*			trans	-89	127.7	176.9	0	0	0	0	0	112.4
35	V	28.6	Very low	28.1	Very low	134 Å²	134	146.7 Å²	146.7	81%	0.812	78%	0.782	S	S	*	*			trans	-129.2	122.6	159.4	-179.4	0	0	0	0	108.8
36	K	24.9	Very low	28.5	Very low	209 Å²	209	140.8 Å²	140.8	91%	0.909	76%	0.762	S	S	*	*			trans	-82.5	121	-179.3	-68.7	174.2	176.6	173.6	0	110.5
37	E	27.9	Very low	29	Very low	144 Å²	144	142.2 Å²	142.2	67%	0.673	76%	0.757	S	S	*	*			trans	-136.2	150.8	162.9	-78.6	-171.3	134.1	0	0	111.2	K42	E37-K42 WeakPolarHBondContact OE2-CE 3.43Å; E37-K42 IonicContact OE2-NZ 2.68Å; E37-K42 PolarHBondContact OE2-NZ 3.01Å
38	K	31.5	Very low	29.4	Very low	193 Å²	193	142.1 Å²	142.1	84%	0.839	75%	0.751	S	S	*	*			trans	-79.4	152.1	-168.6	-71.7	-179.4	178.6	176.8	0	113	K40	K38-K40 PolarHBondContact O-N 3.33Å; K38-K40 VanDerWaalsContact O-N 3.1Å
39	P	40.1	Very low	29.9	Very low	116 Å²	116	140.9 Å²	140.9	75%	0.753	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	12.5	-148.1	-16.3	33.5	0	0	0	118.1
40	K	31.2	Very low	30.2	Very low	183 Å²	183	138.3 Å²	138.3	80%	0.796	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	-16.6	-170.2	-74.6	-166.6	171.5	-173.9	0	117.5	K38	K38-K40 PolarHBondContact O-N 3.33Å; K38-K40 VanDerWaalsContact O-N 3.1Å
41	D	35.3	Very low	30.7	Very low	138 Å²	138	134 Å²	134	74%	0.738	71%	0.706	S	S	*	*	S	Bend	trans	-99.7	-12.1	-179.8	-68.5	-52.5	0	0	0	115
42	K	33.8	Very low	31.2	Very low	129 Å²	129	133.3 Å²	133.3	56%	0.561	70%	0.7	S	S	*	*	H	α-helix	trans	-73.6	-33	177.1	-98.3	177.7	-179.5	164.9	0	113.7	E37 N44 R45 V46	E37-K42 WeakPolarHBondContact OE2-CE 3.43Å; E37-K42 IonicContact OE2-NZ 2.68Å; E37-K42 PolarHBondContact OE2-NZ 3.01Å; K42-N44 PolarHBondContact O-N 3.18Å; K42-R45 PolarHBondContact O-N 3.5Å; K42-V46 WeakPolarHBondContact O-CB 3.38Å; K42-V46 VanDerWaalsContact O-CG2 3.27Å; K42-V46 WeakPolarHBondContact O-CG2 3.16Å; K42-V46 PolarHBondContact O-N 3.16Å
43	Q	33.7	Very low	31.7	Very low	145 Å²	145	134.8 Å²	134.8	68%	0.678	70%	0.698	S	S	*	*	H	α-helix	trans	-67.9	-42.3	-171.2	-139.4	160.8	7.6	0	0	112.3	I47	Q43-I47 WeakPolarHBondContact O-CG1 3.31Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.14Å
44	N	31.4	Very low	31.7	Very low	124 Å²	124	131.4 Å²	131.4	66%	0.663	68%	0.679	S	S	*	*	H	α-helix	trans	-71.1	-34.8	178.4	-72.1	-13.7	0	0	0	113.3	K42 H48	K42-N44 PolarHBondContact O-N 3.18Å; N44-H48 WeakPolarHBondContact O-CB 3.45Å; N44-H48 PolarHBondContact O-N 2.95Å
45	R	31.5	Very low	32	Very low	201 Å²	201	131.8 Å²	131.8	76%	0.758	67%	0.669	S	S	*	*	H	α-helix	trans	-73.1	-39.2	173.8	-95.7	-174.8	175.8	173.4	0.3	112.7	K42 I47 H48 S49	K42-R45 PolarHBondContact O-N 3.5Å; R45-I47 PolarHBondContact O-N 3.15Å; R45-H48 PolarHBondContact O-N 3.41Å; R45-S49 VanDerWaalsContact O-CB 3.29Å; R45-S49 WeakPolarHBondContact O-CB 3.15Å; R45-S49 PolarHBondContact O-N 2.91Å; R45-S49 PolarHBondContact O-OG 3.36Å; R45-S49 VanDerWaalsContact O-OG 3.05Å
46	V	33.5	Very low	32.3	Very low	82 Å²	82	131.2 Å²	131.2	50%	0.497	66%	0.661	S	S	.	*	H	α-helix	trans	-62.3	-44.2	176.8	170.9	0	0	0	0	110.8	K42 H48 S49 V50	K42-V46 WeakPolarHBondContact O-CB 3.38Å; K42-V46 VanDerWaalsContact O-CG2 3.27Å; K42-V46 WeakPolarHBondContact O-CG2 3.16Å; K42-V46 PolarHBondContact O-N 3.16Å; V46-H48 PolarHBondContact O-N 3.32Å; V46-S49 PolarHBondContact O-N 3.27Å; V46-V50 HydrophobicContact CG1-CG2 3.93Å; V46-V50 VanDerWaalsContact O-CB 3.26Å; V46-V50 WeakPolarHBondContact O-CB 3.48Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.32Å
47	I	34.3	Very low	32.9	Very low	117 Å²	117	127.2 Å²	127.2	60%	0.6	64%	0.644	S	S	*	*	H	α-helix	trans	-59.9	-46.3	176.1	-66.6	166.7	0	0	0	110.9	Q43 R45 S49 G51	Q43-I47 WeakPolarHBondContact O-CG1 3.31Å; Q43-I47 PolarHBondContact O-N 3.41Å; Q43-I47 VanDerWaalsContact O-N 3.14Å; R45-I47 PolarHBondContact O-N 3.15Å; I47-S49 PolarHBondContact O-N 2.99Å; I47-G51 PolarHBondContact O-N 2.8Å
48	H	32.5	Very low	33.4	Very low	147 Å²	147	125.1 Å²	125.1	68%	0.681	65%	0.645	S	S	*	*	H	α-helix	trans	-77.1	-18.2	-176.6	-146.6	-46.8	0	0	0	114.7	N44 R45 V46	N44-H48 WeakPolarHBondContact O-CB 3.45Å; N44-H48 PolarHBondContact O-N 2.95Å; R45-H48 PolarHBondContact O-N 3.41Å; V46-H48 PolarHBondContact O-N 3.32Å
49	S	34.6	Very low	33.3	Very low	72 Å²	72	119.6 Å²	119.6	50%	0.503	63%	0.63	S	S	.	*	H	α-helix	trans	-89.8	-40.1	173.4	-63.8	0	0	0	0	112.5	R45 V46 I47 G51 K52	R45-S49 VanDerWaalsContact O-CB 3.29Å; R45-S49 WeakPolarHBondContact O-CB 3.15Å; R45-S49 PolarHBondContact O-N 2.91Å; R45-S49 PolarHBondContact O-OG 3.36Å; R45-S49 VanDerWaalsContact O-OG 3.05Å; V46-S49 PolarHBondContact O-N 3.27Å; I47-S49 PolarHBondContact O-N 2.99Å; S49-G51 VanDerWaalsContact C-N 3.31Å; S49-K52 PolarHBondContact O-N 3.47Å; S49-K52 VanDerWaalsContact O-N 3.15Å
50	V	31.5	Very low	33.2	Very low	65 Å²	65	121 Å²	121	39%	0.394	62%	0.622	S	S	.	*	H	α-helix	trans	-68.8	-31.9	175.6	175	0	0	0	0	110.9	V46 K52 L53 I54	V46-V50 HydrophobicContact CG1-CG2 3.93Å; V46-V50 VanDerWaalsContact O-CB 3.26Å; V46-V50 WeakPolarHBondContact O-CB 3.48Å; V46-V50 WeakPolarHBondContact O-CG2 3.43Å; V46-V50 PolarHBondContact O-N 3.32Å; V50-K52 PolarHBondContact O-N 2.75Å; V50-K52 VanDerWaalsContact O-N 3.08Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-I54 HydrophobicContact CG1-CD1 3.76Å; V50-I54 HydrophobicContact CG1-CG1 4.05Å; V50-I54 PolarHBondContact O-N 3.06Å
51	G	32.5	Very low	33.4	Very low	53 Å²	53	120.8 Å²	120.8	55%	0.546	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.3	-10.9	170	0	0	0	0	0	115.5	I47 S49	I47-G51 PolarHBondContact O-N 2.8Å; S49-G51 VanDerWaalsContact C-N 3.31Å
52	K	35.2	Very low	33	Very low	177 Å²	177	123.4 Å²	123.4	77%	0.77	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-6.6	169.6	-68.2	-169.1	174.5	-170.3	0	114	S49 V50	S49-K52 PolarHBondContact O-N 3.47Å; S49-K52 VanDerWaalsContact O-N 3.15Å; V50-K52 PolarHBondContact O-N 2.75Å; V50-K52 VanDerWaalsContact O-N 3.08Å
53	L	32.4	Very low	32.7	Very low	146 Å²	146	125.4 Å²	125.4	76%	0.764	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-11.7	-179.4	-78.2	162.8	0	0	0	112.9	V50 P55	V50-L53 PolarHBondContact O-N 3.49Å; L53-P55 WeakPolarHBondContact O-CD 3.42Å
54	I	27.7	Very low	32.3	Very low	109 Å²	109	127.3 Å²	127.3	56%	0.559	65%	0.648	S	S	*	*	S	Bend	trans	-88.5	117	167	-63.1	170.6	0	0	0	107.1	V50	V50-I54 HydrophobicContact CG1-CD1 3.76Å; V50-I54 HydrophobicContact CG1-CG1 4.05Å; V50-I54 PolarHBondContact O-N 3.06Å
55	P	27.8	Very low	31.9	Very low	84 Å²	84	129 Å²	129	55%	0.545	66%	0.656	S	S	.	*			trans	-59.5	140.7	170.1	-20	31.7	0	0	0	110.4	L53 F57	L53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-F57 HydrophobicContact CB-CD2 4.37Å; P55-F57 HydrophobicContact CB-CE2 3.76Å; P55-F57 HydrophobicContact CB-CZ 3.89Å; P55-F57 HydrophobicContact CG-CE2 4.09Å; P55-F57 HydrophobicContact CG-CZ 4.06Å; P55-F57 WeakPolarHBondContact O-CD2 3.45Å; P55-F57 VanDerWaalsContact O-CE2 3.24Å; P55-F57 WeakPolarHBondContact O-CE2 3.36Å; P55-F57 PolarHBondContact O-N 3.38Å
56	D	34.2	Very low	31.7	Very low	122 Å²	122	125.1 Å²	125.1	65%	0.652	66%	0.655	S	S	*	*			trans	-78.9	107.8	173.9	-174.5	-4.4	0	0	0	109.6	S58	D56-S58 VanDerWaalsContact C-N 3.32Å; D56-S58 VanDerWaalsContact CG-OG 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.4Å; D56-S58 PolarHBondContact OD1-N 3.43Å; D56-S58 PolarHBondContact OD1-OG 2.69Å; D56-S58 PolarHBondContact OD2-OG 2.87Å
57	F	39.2	Very low	31.4	Very low	125 Å²	125	126.8 Å²	126.8	55%	0.548	67%	0.665	S	S	.	*			trans	-89.4	12	178.8	-62.1	-92.5	0	0	0	113	P55 S59 Y60	P55-F57 HydrophobicContact CB-CD2 4.37Å; P55-F57 HydrophobicContact CB-CE2 3.76Å; P55-F57 HydrophobicContact CB-CZ 3.89Å; P55-F57 HydrophobicContact CG-CE2 4.09Å; P55-F57 HydrophobicContact CG-CZ 4.06Å; P55-F57 WeakPolarHBondContact O-CD2 3.45Å; P55-F57 VanDerWaalsContact O-CE2 3.24Å; P55-F57 WeakPolarHBondContact O-CE2 3.36Å; P55-F57 PolarHBondContact O-N 3.38Å; F57-S59 VanDerWaalsContact C-N 3.3Å; F57-S59 PolarHBondContact O-N 2.87Å; F57-Y60 HydrophobicContact CB-CD2 4.15Å; F57-Y60 HydrophobicContact CB-CE2 4.06Å; F57-Y60 HydrophobicContact CD1-CD2 4.37Å; F57-Y60 AromaticContact CD1-CE2 3.49Å; F57-Y60 HydrophobicContact CD1-CE2 3.49Å; F57-Y60 VanDerWaalsContact CD1-CE2 3.49Å; F57-Y60 AromaticContact CD1-CZ 3.84Å; F57-Y60 HydrophobicContact CE1-CE2 4.39Å; F57-Y60 HydrophobicContact CG-CE2 4.2Å; F57-Y60 VanDerWaalsContact O-CD2 3.29Å; F57-Y60 WeakPolarHBondContact O-CD2 3.46Å
58	S	37.6	Very low	31	Very low	99 Å²	99	129.5 Å²	129.5	69%	0.692	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-9.7	-179.4	66.5	0	0	0	0	114.9	D56	D56-S58 VanDerWaalsContact C-N 3.32Å; D56-S58 VanDerWaalsContact CG-OG 3.26Å; D56-S58 WeakPolarHBondContact OD1-CB 3.4Å; D56-S58 PolarHBondContact OD1-N 3.43Å; D56-S58 PolarHBondContact OD1-OG 2.69Å; D56-S58 PolarHBondContact OD2-OG 2.87Å
59	S	30.3	Very low	31	Very low	77 Å²	77	127 Å²	127	54%	0.538	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	5.6	-175.6	55.6	0	0	0	0	115.8	F57 E61	F57-S59 VanDerWaalsContact C-N 3.3Å; F57-S59 PolarHBondContact O-N 2.87Å; S59-E61 PolarHBondContact O-N 3.29Å
60	Y	37.3	Very low	30.6	Very low	146 Å²	146	131.1 Å²	131.1	57%	0.573	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	17.1	-165.1	-96	-103.2	0	0	0	117.9	F57	F57-Y60 HydrophobicContact CB-CD2 4.15Å; F57-Y60 HydrophobicContact CB-CE2 4.06Å; F57-Y60 HydrophobicContact CD1-CD2 4.37Å; F57-Y60 AromaticContact CD1-CE2 3.49Å; F57-Y60 HydrophobicContact CD1-CE2 3.49Å; F57-Y60 VanDerWaalsContact CD1-CE2 3.49Å; F57-Y60 AromaticContact CD1-CZ 3.84Å; F57-Y60 HydrophobicContact CE1-CE2 4.39Å; F57-Y60 HydrophobicContact CG-CE2 4.2Å; F57-Y60 VanDerWaalsContact O-CD2 3.29Å; F57-Y60 WeakPolarHBondContact O-CD2 3.46Å
61	E	34.8	Very low	30.6	Very low	179 Å²	179	135 Å²	135	84%	0.836	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	14	-177.8	-135.6	174.4	-158.2	0	0	115.6	S59	S59-E61 PolarHBondContact O-N 3.29Å
62	K	26.7	Very low	30.3	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.835	72%	0.718	S	S	*	*			trans	-140.3	96.2	168.3	-76.3	-167.3	175.6	-176.3	0	113.4
63	H	27.4	Very low	30.1	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.796	72%	0.72	S	S	*	*			trans	-112.2	97.9	159.3	-68.5	-39.9	0	0	0	109.5
64	E	25.6	Very low	29.7	Very low	184 Å²	184	138.5 Å²	138.5	86%	0.86	73%	0.725	S	S	*	*			trans	-82.8	141.7	163.2	-170.4	167.8	-167	0	0	108.5	V66	E64-V66 PolarHBondContact O-N 3.33Å
65	L	24.1	Very low	29.6	Very low	159 Å²	159	140.1 Å²	140.1	83%	0.832	74%	0.74	S	S	*	*			trans	-66.5	98.9	-175.9	-98.7	153.6	0	0	0	111.3	V67	L65-V67 PolarHBondContact O-N 2.76Å; L65-V67 VanDerWaalsContact O-N 3.12Å
66	V	26.2	Very low	29.2	Very low	121 Å²	121	140.7 Å²	140.7	73%	0.733	75%	0.746	S	S	*	*			trans	-77.2	94.6	165.2	-174.5	0	0	0	0	108.2	E64 E68	E64-V66 PolarHBondContact O-N 3.33Å; V66-E68 HydrophobicContact CG1-CG 4Å; V66-E68 PolarHBondContact O-N 2.93Å
67	V	28.6	Very low	28.7	Very low	117 Å²	117	139.8 Å²	139.8	71%	0.709	75%	0.748	S	S	*	*			trans	-79.9	95.8	167.1	-177.6	0	0	0	0	107.5	L65 S69	L65-V67 PolarHBondContact O-N 2.76Å; L65-V67 VanDerWaalsContact O-N 3.12Å; V67-S69 VanDerWaalsContact C-N 3.33Å; V67-S69 PolarHBondContact O-N 3.18Å
68	E	24.5	Very low	27.9	Very low	173 Å²	173	143.2 Å²	143.2	81%	0.808	76%	0.763	S	S	*	*			trans	-68.6	92.7	168.8	-68.5	-169.6	155.1	0	0	109.1	V66 D70	V66-E68 HydrophobicContact CG1-CG 4Å; V66-E68 PolarHBondContact O-N 2.93Å; E68-D70 PolarHBondContact O-N 2.74Å
69	S	32.7	Very low	27.2	Very low	96 Å²	96	146.3 Å²	146.3	67%	0.671	77%	0.767	S	S	*	*			trans	-79.9	100.5	168.6	59.9	0	0	0	0	109.6	V67 I71	V67-S69 VanDerWaalsContact C-N 3.33Å; V67-S69 PolarHBondContact O-N 3.18Å; S69-I71 PolarHBondContact O-N 3.3Å
70	D	25.9	Very low	27	Very low	158 Å²	158	151.1 Å²	151.1	85%	0.845	78%	0.78	S	S	*	*			trans	-52.5	109.9	159.9	-81.4	-43.1	0	0	0	109.8	E68	E68-D70 PolarHBondContact O-N 2.74Å
71	I	32.4	Very low	26.1	Very low	147 Å²	147	152 Å²	152	75%	0.754	79%	0.79	S	S	*	*			trans	-145.9	104.6	145.4	-84.5	118.1	0	0	0	107.7	S69 N73	S69-I71 PolarHBondContact O-N 3.3Å; I71-N73 PolarHBondContact O-N 3.06Å
72	S	26.1	Very low	25.7	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	79%	0.789	S	S	*	*			trans	-65	113.8	150	54.4	0	0	0	0	108.7
73	N	30.2	Very low	25.4	Very low	152 Å²	152	145.8 Å²	145.8	81%	0.813	78%	0.78	S	S	*	*			trans	-166.8	125	140.7	-97.9	-29.9	0	0	0	111.8	I71	I71-N73 PolarHBondContact O-N 3.06Å
74	H	24.9	Very low	25.2	Very low	187 Å²	187	144.5 Å²	144.5	87%	0.866	78%	0.78	S	S	*	*			trans	-59.7	133.5	162.9	-75.4	-102.8	0	0	0	110
75	T	25.5	Very low	25.1	Very low	143 Å²	143	147.7 Å²	147.7	88%	0.877	78%	0.784	S	S	*	*				-156.6	138.4	125	-61.6	0	0	0	0	108.4
76	S	20.2	Very low	25	Very low	96 Å²	96	146.6 Å²	146.6	67%	0.671	78%	0.779	S	S	*	*			trans	-90.8	163.7	179.9	55.6	0	0	0	0	112.6
77	C	21.8	Very low	24.9	Very low	103 Å²	103	149.3 Å²	149.3	70%	0.696	78%	0.783	S	S	*	*			trans	96.9	135.2	148.4	-60.1	0	0	0	0	122.2
78	F	23.7	Very low	24.6	Very low	197 Å²	197	150.3 Å²	150.3	86%	0.864	78%	0.78	S	S	*	*			trans	91.1	114.9	149.2	-72.2	-61.7	0	0	0	123.1
79	H	21.7	Very low	24.6	Very low	164 Å²	164	151.4 Å²	151.4	76%	0.759	78%	0.777	S	S	*	*			trans	-38.3	147.9	153.8	-79.4	-85.9	0	0	0	115.2
80	H	26	Very low	24.2	Very low	178 Å²	178	153 Å²	153	82%	0.824	78%	0.783	S	S	*	*				-155	136.8	110.4	-123.5	-79.3	0	0	0	113.9
81	Q	20.3	Very low	24	Very low	165 Å²	165	151.8 Å²	151.8	77%	0.771	78%	0.781	S	S	*	*			trans	-78.7	150.8	157.1	-65.3	168.8	-21.9	0	0	108.9
82	I	24.7	Very low	24.4	Very low	162 Å²	162	150.3 Å²	150.3	83%	0.831	78%	0.781	S	S	*	*			trans	-157	138.6	144.8	-101.3	148.1	0	0	0	108.6
83	A	21.8	Very low	24.6	Very low	78 Å²	78	150.8 Å²	150.8	65%	0.645	78%	0.782	S	S	*	*			trans	-115.2	176	174.1	0	0	0	0	0	110.5
84	N	22	Very low	24.2	Very low	146 Å²	146	152 Å²	152	78%	0.781	78%	0.783	S	S	*	*			trans	77.1	119.9	170.9	-55.5	-20.5	0	0	0	117.8
85	R	24.3	Very low	24.1	Very low	251 Å²	251	154.3 Å²	154.3	95%	0.947	79%	0.786	S	S	*	*				-146	142.7	122.7	-107.1	176	-172.7	-150.9	-1	110.1
86	N	21.4	Very low	24.1	Very low	136 Å²	136	156 Å²	156	73%	0.727	78%	0.783	S	S	*	*			trans	-99.1	-171.2	-174.9	-71.2	-30.6	0	0	0	111.3
87	E	24.1	Very low	24.6	Very low	177 Å²	177	155.7 Å²	155.7	83%	0.827	78%	0.779	S	S	*	*			trans	83.2	135.4	162.9	-62	162.2	-161	0	0	114.4
88	E	22.9	Very low	24.8	Very low	139 Å²	139	157.6 Å²	157.6	65%	0.65	78%	0.782	S	S	*	*			cis	-162.6	169.9	8.3	-140	-170.7	-155	0	0	113
89	R	23.5	Very low	24.7	Very low	195 Å²	195	155.9 Å²	155.9	74%	0.736	78%	0.781	S	S	*	*			trans	95.8	92.3	144.5	-145.3	159.6	-74.7	-121.4	2	122.3
90	T	25.1	Very low	24.7	Very low	129 Å²	129	154.6 Å²	154.6	79%	0.791	78%	0.784	S	S	*	*			trans	63.7	125.6	132.7	60.7	0	0	0	0	124.5
91	T	21.5	Very low	24.4	Very low	133 Å²	133	152 Å²	152	82%	0.816	78%	0.781	S	S	*	*			trans	-92	-173.5	157.7	49.2	0	0	0	0	110.7
92	P	40.7	Very low	24.4	Very low	116 Å²	116	153.6 Å²	153.6	75%	0.753	79%	0.785	S	S	*	*			cis	-126.7	-137.9	6	48.8	-30	0	0	0	110.6
93	P	30.9	Very low	24.2	Very low	120 Å²	120	151.8 Å²	151.8	78%	0.779	78%	0.782	S	S	*	*			cis	-113.9	-157.5	9.3	40.2	-22.9	0	0	0	115.3
94	E	20.6	Very low	24.2	Very low	178 Å²	178	157.8 Å²	157.8	83%	0.832	79%	0.794	S	S	*	*			trans	-92.3	153.2	-164.6	-60.1	158.6	129.9	0	0	116.2
95	Y	24.4	Very low	24.2	Very low	235 Å²	235	155.6 Å²	155.6	92%	0.922	79%	0.79	S	S	*	*				-164.7	131.9	129.9	-109	-75.9	0	0	0	110.9
96	H	25.3	Very low	24.1	Very low	177 Å²	177	153.1 Å²	153.1	82%	0.819	78%	0.782	S	S	*	*			trans	-107.7	173	167.4	-104.9	-90.8	0	0	0	108.6
97	P	30.5	Very low	24.2	Very low	91 Å²	91	153.8 Å²	153.8	59%	0.591	79%	0.785	S	S	*	*			cis	-129.6	168.3	-19.6	38.2	-23.4	0	0	0	113.3
98	N	25.8	Very low	24.2	Very low	142 Å²	142	150.6 Å²	150.6	76%	0.759	77%	0.773	S	S	*	*				155.1	136.6	129	-81.6	-33.3	0	0	0	115
99	L	21.8	Very low	24.2	Very low	161 Å²	161	152.6 Å²	152.6	84%	0.843	78%	0.78	S	S	*	*			trans	51.8	104.7	149.5	-74.8	154.6	0	0	0	121.1	V101	L99-V101 PolarHBondContact O-N 3.31Å
100	V	20.6	Very low	24.2	Very low	137 Å²	137	149.6 Å²	149.6	83%	0.83	78%	0.779	S	S	*	*			trans	-28.6	111.8	150.4	-178.2	0	0	0	0	115.1
101	V	19.9	Very low	24.2	Very low	125 Å²	125	148.6 Å²	148.6	76%	0.758	78%	0.776	S	S	*	*				-147.4	105.3	121.3	-179	0	0	0	0	107.7	L99 T103	L99-V101 PolarHBondContact O-N 3.31Å; V101-T103 HydrophobicContact CG1-CG2 4.48Å
102	K	21	Very low	24.4	Very low	197 Å²	197	147.1 Å²	147.1	86%	0.857	77%	0.772	S	S	*	*			trans	-100.9	95.6	168.3	-90.2	-174.1	175.2	178	0	109.8	K104	K102-K104 PolarHBondContact O-N 3.01Å; K102-K104 VanDerWaalsContact O-N 3.14Å
103	T	20	Very low	23.7	Very low	124 Å²	124	147 Å²	147	76%	0.761	77%	0.774	S	S	*	*			trans	-59.1	109.3	158.9	47.1	0	0	0	0	108.6	V101	V101-T103 HydrophobicContact CG1-CG2 4.48Å
104	K	22.9	Very low	23.5	Very low	205 Å²	205	144.6 Å²	144.6	89%	0.891	76%	0.764	S	S	*	*			trans	-83.3	124.1	168.6	-88.6	-168	173.2	-173.7	0	109.7	K102	K102-K104 PolarHBondContact O-N 3.01Å; K102-K104 VanDerWaalsContact O-N 3.14Å
105	S	21.4	Very low	23.7	Very low	100 Å²	100	138.2 Å²	138.2	70%	0.699	74%	0.741	S	S	*	*			trans	-65.7	143.2	-178.3	-53.4	0	0	0	0	114
106	Y	21.6	Very low	23.9	Very low	198 Å²	198	135.9 Å²	135.9	78%	0.776	74%	0.737	S	S	*	*			trans	48.2	83.6	150.2	-63.1	-68.1	0	0	0	119	I108	Y106-I108 HydrophobicContact CD1-CD1 3.81Å; Y106-I108 HydrophobicContact CD1-CG1 3.8Å; Y106-I108 HydrophobicContact CE1-CD1 4.24Å
107	D	24.5	Very low	24	Very low	150 Å²	150	131 Å²	131	80%	0.802	72%	0.721	S	S	*	*			trans	-96.7	87.7	139.3	-77.7	-45.4	0	0	0	108.4	F109	D107-F109 VanDerWaalsContact C-N 3.29Å; D107-F109 HydrophobicContact CB-CD2 4.34Å; D107-F109 PolarHBondContact O-N 3.5Å
108	I	23.3	Very low	24	Very low	111 Å²	111	128.5 Å²	128.5	57%	0.569	71%	0.706	S	S	*	*			trans	-74.9	91	167.5	-61.6	178.6	0	0	0	106.9	Y106 N110	Y106-I108 HydrophobicContact CD1-CD1 3.81Å; Y106-I108 HydrophobicContact CD1-CG1 3.8Å; Y106-I108 HydrophobicContact CE1-CD1 4.24Å; I108-N110 HydrophobicContact CG2-CB 3.99Å; I108-N110 WeakPolarHBondContact CG2-OD1 3.33Å; I108-N110 PolarHBondContact O-N 3.19Å
109	F	22.9	Very low	24.2	Very low	181 Å²	181	123.5 Å²	123.5	79%	0.794	68%	0.681	S	S	*	*			trans	-67	70.3	158.8	-89.7	-88.9	0	0	0	109.5	D107 S111	D107-F109 VanDerWaalsContact C-N 3.29Å; D107-F109 HydrophobicContact CB-CD2 4.34Å; D107-F109 PolarHBondContact O-N 3.5Å; F109-S111 PolarHBondContact O-N 2.91Å
110	N	23.8	Very low	24.5	Very low	132 Å²	132	119.3 Å²	119.3	71%	0.706	66%	0.663	S	S	*	*			trans	-71.8	81.4	156.4	-90.9	-2.8	0	0	0	106.7	I108 S112	I108-N110 HydrophobicContact CG2-CB 3.99Å; I108-N110 WeakPolarHBondContact CG2-OD1 3.33Å; I108-N110 PolarHBondContact O-N 3.19Å; N110-S112 PolarHBondContact O-N 3.05Å
111	S	24.9	Very low	24.9	Very low	107 Å²	107	114.3 Å²	114.3	75%	0.748	64%	0.64	S	S	*	*			trans	-68.1	72.2	155.5	59.8	0	0	0	0	107.8	F109 S113	F109-S111 PolarHBondContact O-N 2.91Å; S111-S113 PolarHBondContact O-N 2.88Å
112	S	24.9	Very low	25.3	Very low	103 Å²	103	112.5 Å²	112.5	72%	0.72	63%	0.63	S	S	*	*			trans	-70	77.6	166.6	56.7	0	0	0	0	107.7	N110 A114	N110-S112 PolarHBondContact O-N 3.05Å; S112-A114 PolarHBondContact O-N 3.12Å
113	S	26.7	Very low	25.6	Very low	114 Å²	114	108.2 Å²	108.2	80%	0.797	63%	0.625	S	S	*	*			trans	-67	84.8	159.7	-168.7	0	0	0	0	106.6	S111 A115	S111-S113 PolarHBondContact O-N 2.88Å; S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.3Å
114	A	26.2	Very low	25.9	Very low	69 Å²	69	109 Å²	109	57%	0.57	63%	0.625	S	S	*	*			trans	-70.8	94.6	169.9	0	0	0	0	0	106.9	S112 F116	S112-A114 PolarHBondContact O-N 3.12Å; A114-F116 WeakPolarHBondContact O-CD2 3.38Å; A114-F116 PolarHBondContact O-N 3.41Å
115	A	25.9	Very low	26	Very low	43 Å²	43	104.8 Å²	104.8	36%	0.355	62%	0.621	S	S	.	*			trans	-64.2	114.6	167.6	0	0	0	0	0	107.9	S113 C117	S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact O-N 3.3Å; A115-C117 PolarHBondContact O-N 3.31Å
116	F	28.2	Very low	26.2	Very low	187 Å²	187	107.2 Å²	107.2	82%	0.82	63%	0.626	S	S	*	*			trans	-67.8	119.9	-173.3	-66	-90.9	0	0	0	110.8	A114	A114-F116 WeakPolarHBondContact O-CD2 3.38Å; A114-F116 PolarHBondContact O-N 3.41Å
117	C	27	Very low	26.4	Very low	73 Å²	73	103.2 Å²	103.2	49%	0.493	63%	0.626	S	S	.	*			trans	-79.9	132.2	-178.4	-70	0	0	0	0	112.3	A115	A115-C117 PolarHBondContact O-N 3.31Å
118	S	31.1	Very low	26.4	Very low	40 Å²	40	102.5 Å²	102.5	28%	0.28	63%	0.627	S	S	.	*	S	Bend	trans	61.2	168.4	166.1	43.3	0	0	0	0	117.5	P120	S118-P120 WeakPolarHBondContact O-CD 3.22Å
119	T	30.4	Very low	26.5	Very low	37 Å²	37	104.7 Å²	104.7	23%	0.227	64%	0.64	C	S	.	*			trans	-56.9	114.3	179.9	13.3	0	0	0	0	111.1	G121 M552 L572 Y584	T119-G121 PolarHBondContact O-N 2.95Å; T119-M552 HydrophobicContact CG2-CE 4.43Å; T119-L572 HydrophobicContact CG2-CD1 3.78Å; T119-Y584 HydrophobicContact CG2-CE2 4.16Å; T119-Y584 WeakPolarHBondContact CG2-OH 3.35Å
120	P	28.2	Very low	26.7	Very low	72 Å²	72	106.4 Å²	106.4	47%	0.468	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-73.5	117	-179.6	28	-31.7	0	0	0	109.9	S118 F581	S118-P120 WeakPolarHBondContact O-CD 3.22Å; P120-F581 HydrophobicContact CG-CE1 4.26Å; P120-F581 HydrophobicContact CG-CZ 3.86Å
121	G	28.5	Very low	26.8	Very low	33 Å²	33	105.3 Å²	105.3	34%	0.34	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-62.4	162.8	161.7	0	0	0	0	0	111.1	T119 S123	T119-G121 PolarHBondContact O-N 2.95Å; G121-S123 PolarHBondContact O-N 3.43Å
122	P	27.8	Very low	26.9	Very low	86 Å²	86	108.2 Å²	108.2	56%	0.558	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-60.3	125.3	-175.3	24	-32.7	0	0	0	111.9	N124 E352	P122-N124 PolarHBondContact O-N 2.92Å; P122-E352 WeakPolarHBondContact CD-OE1 3.42Å
123	S	26.7	Very low	26.8	Very low	108 Å²	108	112.3 Å²	112.3	76%	0.755	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-64.7	121	-177	47.5	0	0	0	0	112.4	G121 S125	G121-S123 PolarHBondContact O-N 3.43Å; S123-S125 VanDerWaalsContact C-N 3.35Å; S123-S125 PolarHBondContact O-N 3.1Å
124	N	26.8	Very low	26.7	Very low	140 Å²	140	114 Å²	114	75%	0.749	66%	0.661	S	S	*	*			trans	-74.8	78.5	178.1	-86.7	-44.8	0	0	0	112.3	P122 L126	P122-N124 PolarHBondContact O-N 2.92Å; N124-L126 PolarHBondContact O-N 3.39Å
125	S	24.5	Very low	26.8	Very low	116 Å²	116	117.8 Å²	117.8	81%	0.811	68%	0.677	S	S	*	*			trans	-79.3	52.6	166.8	58.4	0	0	0	0	112.5	S123	S123-S125 VanDerWaalsContact C-N 3.35Å; S123-S125 PolarHBondContact O-N 3.1Å
126	L	25.9	Very low	26.8	Very low	152 Å²	152	123.9 Å²	123.9	80%	0.796	70%	0.697	S	S	*	*			trans	-126.9	55.2	-179.2	-157.1	73.8	0	0	0	113.7	N124	N124-L126 PolarHBondContact O-N 3.39Å
127	S	25.9	Very low	26.8	Very low	113 Å²	113	121.9 Å²	121.9	79%	0.79	70%	0.695	S	S	*	*	S	Bend	trans	-131.6	19.6	174.1	70.8	0	0	0	0	115.5
128	T	25.4	Very low	26.9	Very low	135 Å²	135	126.5 Å²	126.5	83%	0.828	71%	0.714	S	S	*	*	S	Bend	trans	-137.8	53.6	174.4	-39.1	0	0	0	0	113.2
129	L	24.6	Very low	26.6	Very low	158 Å²	158	130 Å²	130	83%	0.827	74%	0.736	S	S	*	*			trans	-148	55.8	168.2	-109.6	155.4	0	0	0	111.7
130	K	26.8	Very low	26.3	Very low	216 Å²	216	132.5 Å²	132.5	94%	0.939	76%	0.761	S	S	*	*			trans	-122.9	49.9	168.8	-86.9	-170.4	177	176.2	0	112.1
131	S	26.8	Very low	26.2	Very low	109 Å²	109	134.9 Å²	134.9	76%	0.762	78%	0.776	S	S	*	*			trans	-168.9	79.4	157	-178.7	0	0	0	0	112.1
132	L	26.1	Very low	26	Very low	169 Å²	169	142.6 Å²	142.6	89%	0.885	80%	0.8	S	S	*	*			trans	-143.2	107.7	143.3	-136.4	76.5	0	0	0	108.1
133	K	24.5	Very low	25.9	Very low	189 Å²	189	146.1 Å²	146.1	82%	0.822	81%	0.813	S	S	*	*			trans	-82.8	153.3	169.4	-76.3	-179.8	173.5	178.3	0	108.7
134	N	24.1	Very low	25.8	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	81%	0.814	S	S	*	*			trans	73	97.4	166.7	-49.3	-13	0	0	0	116.4
135	T	28.3	Very low	25.7	Very low	147 Å²	147	145 Å²	145	90%	0.902	81%	0.81	S	S	*	*				-150.6	148.3	118.4	27.2	0	0	0	0	109.2
136	H	26	Very low	25.6	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	81%	0.81	S	S	*	*			trans	-85.4	164.2	-177.9	-88	-108.3	0	0	0	112.5
137	D	27.2	Very low	25.6	Very low	145 Å²	145	142.8 Å²	142.8	78%	0.775	81%	0.809	S	S	*	*			trans	62.9	104	156.9	-53.2	-25.7	0	0	0	119.2
138	L	29.5	Very low	25.6	Very low	170 Å²	170	143 Å²	143	89%	0.89	80%	0.804	S	S	*	*				-172.4	152.8	123	-93.6	164.3	0	0	0	108.7
139	P	25	Very low	25.6	Very low	114 Å²	114	144.6 Å²	144.6	74%	0.74	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-80.8	141.7	-156.2	30.6	-36.1	0	0	0	114.8
140	A	24.1	Very low	25.6	Very low	90 Å²	90	142.2 Å²	142.2	74%	0.744	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-66	136.1	176.3	0	0	0	0	0	112.5
141	P	25	Very low	25.8	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-61.5	138.4	169.6	-21.1	33.1	0	0	0	111.3	I143	P141-I143 PolarHBondContact O-N 3.3Å
142	K	25.5	Very low	25.9	Very low	195 Å²	195	137.4 Å²	137.4	85%	0.848	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.5	177.9	-70.2	178.8	177.7	176.8	0	110.4	V144	K142-V144 PolarHBondContact O-N 3.49Å
143	I	24.6	Very low	26	Very low	161 Å²	161	132.3 Å²	132.3	83%	0.826	75%	0.753	S	S	*	*			trans	-63.6	107	166.8	-59.7	169.4	0	0	0	107.2	P141	P141-I143 PolarHBondContact O-N 3.3Å
144	V	24.9	Very low	26.3	Very low	128 Å²	128	129 Å²	129	78%	0.776	74%	0.74	S	S	*	*			trans	-83.7	120.4	161.3	179.2	0	0	0	0	106	K142 G146	K142-V144 PolarHBondContact O-N 3.49Å; V144-G146 PolarHBondContact O-N 3.17Å
145	S	24.6	Very low	26.6	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	72%	0.723	S	S	*	*			trans	-59.5	104.4	169.2	-64.5	0	0	0	0	108.6	D147	S145-D147 VanDerWaalsContact C-N 3.35Å; S145-D147 PolarHBondContact O-N 3.4Å
146	G	23.2	Very low	26.5	Very low	78 Å²	78	123.2 Å²	123.2	80%	0.804	71%	0.71	S	S	*	*			trans	-74.2	91.5	170.2	0	0	0	0	0	108.8	V144 V148	V144-G146 PolarHBondContact O-N 3.17Å; G146-V148 PolarHBondContact O-N 3.25Å; G146-V148 VanDerWaalsContact O-N 3.16Å
147	D	25.4	Very low	26.4	Very low	143 Å²	143	119.7 Å²	119.7	77%	0.765	70%	0.703	S	S	*	*			trans	-58.7	117.8	173	-74.4	-43.4	0	0	0	110.1	S145	S145-D147 VanDerWaalsContact C-N 3.35Å; S145-D147 PolarHBondContact O-N 3.4Å
148	V	25.8	Very low	26.3	Very low	116 Å²	116	119.9 Å²	119.9	70%	0.703	70%	0.702	S	S	*	*			trans	41.4	85.5	152.6	-161.3	0	0	0	0	115.8	G146 V150	G146-V148 PolarHBondContact O-N 3.25Å; G146-V148 VanDerWaalsContact O-N 3.16Å; V148-V150 VanDerWaalsContact C-N 3.27Å; V148-V150 HydrophobicContact CG1-CG2 3.58Å; V148-V150 PolarHBondContact O-N 2.7Å
149	L	24.8	Very low	26.1	Very low	169 Å²	169	119 Å²	119	89%	0.885	69%	0.693	S	S	*	*			trans	-67.3	89	153.8	-72.1	172.8	0	0	0	109.1	N151	L149-N151 PolarHBondContact O-N 3.04Å
150	V	26.2	Very low	26.2	Very low	109 Å²	109	118.1 Å²	118.1	66%	0.661	69%	0.687	S	S	*	*			trans	-68.2	111.3	162.6	-177.4	0	0	0	0	107	V148 T152	V148-V150 VanDerWaalsContact C-N 3.27Å; V148-V150 HydrophobicContact CG1-CG2 3.58Å; V148-V150 PolarHBondContact O-N 2.7Å; V150-T152 PolarHBondContact O-N 3.27Å
151	N	30.7	Very low	26.3	Very low	108 Å²	108	120.1 Å²	120.1	58%	0.578	69%	0.69	S	S	*	*			trans	-54.6	109.8	176.2	-79.1	-13.1	0	0	0	109.8	L149 L153	L149-N151 PolarHBondContact O-N 3.04Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.01Å
152	T	27.4	Very low	26.5	Very low	116 Å²	116	122.7 Å²	122.7	71%	0.712	69%	0.689	S	S	*	*			trans	-77.7	79.5	-169.8	19.9	0	0	0	0	111.9	V150 Q154	V150-T152 PolarHBondContact O-N 3.27Å; T152-Q154 PolarHBondContact O-N 2.94Å
153	L	29.5	Very low	26.7	Very low	61 Å²	61	119 Å²	119	32%	0.319	69%	0.685	S	S	.	*			trans	-68.1	86.4	158	-161.2	91.4	0	0	0	109.1	N151 V155 Y279	N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 3.01Å; L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 HydrophobicContact CD2-CG2 4.08Å; L153-V155 PolarHBondContact O-N 2.95Å; L153-Y279 HydrophobicContact CD2-CE2 4.47Å; L153-Y279 WeakPolarHBondContact CD2-OH 3.42Å
154	Q	30.4	Very low	26.9	Very low	121 Å²	121	118.9 Å²	118.9	57%	0.565	69%	0.686	S	S	*	*			trans	-73.2	86.9	174.8	-79	-172.7	-12.8	0	0	110.9	T152 K596	T152-Q154 PolarHBondContact O-N 2.94Å; Q154-K596 VanDerWaalsContact OE1-NZ 3.08Å
155	V	31.3	Very low	27.1	Very low	71 Å²	71	124.2 Å²	124.2	43%	0.43	69%	0.692	S	S	.	*			trans	-72.7	119.1	153.3	-177.6	0	0	0	0	107.1	L153 P157 Y279	L153-V155 VanDerWaalsContact C-N 3.34Å; L153-V155 HydrophobicContact CD2-CG2 4.08Å; L153-V155 PolarHBondContact O-N 2.95Å; V155-P157 VanDerWaalsContact O-CD 3.29Å; V155-P157 WeakPolarHBondContact O-CD 3.38Å; V155-Y279 HydrophobicContact CG2-CE1 3.96Å
156	T	24.7	Very low	27	Very low	103 Å²	103	129.7 Å²	129.7	63%	0.632	70%	0.704	S	S	*	*			trans	-85.6	111.5	172.1	-54.8	0	0	0	0	108.4	I158	T156-I158 PolarHBondContact O-N 3.26Å; T156-I158 VanDerWaalsContact O-N 3.12Å
157	P	24.1	Very low	27.2	Very low	98 Å²	98	130.8 Å²	130.8	64%	0.636	70%	0.699	S	S	*	*			trans	-73	109.6	176.4	-11.1	28.7	0	0	0	108.4	V155 H159	V155-P157 VanDerWaalsContact O-CD 3.29Å; V155-P157 WeakPolarHBondContact O-CD 3.38Å; P157-H159 VanDerWaalsContact C-N 3.3Å; P157-H159 PolarHBondContact O-N 3.43Å
158	I	24.8	Very low	27	Very low	148 Å²	148	130.7 Å²	130.7	76%	0.759	70%	0.704	S	S	*	*			trans	-74.3	90.3	171.4	-55.8	-179.2	0	0	0	107.3	T156	T156-I158 PolarHBondContact O-N 3.26Å; T156-I158 VanDerWaalsContact O-N 3.12Å
159	H	26.2	Very low	27	Very low	153 Å²	153	131 Å²	131	71%	0.708	71%	0.706	S	S	*	*			trans	-59.3	127.4	167.9	-87	-78.8	0	0	0	109	P157 V161	P157-H159 VanDerWaalsContact C-N 3.3Å; P157-H159 PolarHBondContact O-N 3.43Å; H159-V161 PolarHBondContact O-N 2.75Å
160	P	26.5	Very low	27	Very low	94 Å²	94	130 Å²	130	61%	0.61	70%	0.702	S	S	*	*			trans	-63.7	109.5	174.3	24.9	-32.5	0	0	0	109	F162	P160-F162 HydrophobicContact CB-CD2 4.44Å; P160-F162 HydrophobicContact CB-CE2 4.12Å; P160-F162 HydrophobicContact CG-CD2 4.46Å; P160-F162 HydrophobicContact CG-CE2 3.96Å; P160-F162 WeakPolarHBondContact O-CD2 3.48Å; P160-F162 PolarHBondContact O-N 2.63Å
161	V	25.8	Very low	26.7	Very low	133 Å²	133	134.9 Å²	134.9	81%	0.806	71%	0.714	S	S	*	*			trans	-67.6	96.8	174.6	179.6	0	0	0	0	107.7	H159 P163	H159-V161 PolarHBondContact O-N 2.75Å; V161-P163 WeakPolarHBondContact O-CD 3.37Å
162	F	30.7	Very low	26.4	Very low	174 Å²	174	139.4 Å²	139.4	76%	0.763	73%	0.729	S	S	*	*			trans	-77.6	109.8	167.1	-76.5	-84.6	0	0	0	108.9	P160 N164	P160-F162 HydrophobicContact CB-CD2 4.44Å; P160-F162 HydrophobicContact CB-CE2 4.12Å; P160-F162 HydrophobicContact CG-CD2 4.46Å; P160-F162 HydrophobicContact CG-CE2 3.96Å; P160-F162 WeakPolarHBondContact O-CD2 3.48Å; P160-F162 PolarHBondContact O-N 2.63Å; F162-N164 PolarHBondContact O-N 2.8Å; F162-N164 VanDerWaalsContact O-N 3.1Å
163	P	28.3	Very low	26	Very low	119 Å²	119	142.5 Å²	142.5	77%	0.773	74%	0.737	S	S	*	*			trans	-82.5	92.7	175.9	33.9	-29.5	0	0	0	108.2	V161	V161-P163 WeakPolarHBondContact O-CD 3.37Å
164	N	28.6	Very low	25.7	Very low	158 Å²	158	143 Å²	143	85%	0.845	76%	0.757	S	S	*	*			trans	-125.8	126.6	164.9	-104.3	-32	0	0	0	111.8	F162	F162-N164 PolarHBondContact O-N 2.8Å; F162-N164 VanDerWaalsContact O-N 3.1Å
165	R	29.1	Very low	25.2	Very low	240 Å²	240	144 Å²	144	91%	0.906	77%	0.766	S	S	*	*			trans	-63	143.3	-170.5	-76.3	173.8	169.5	163.5	-4.3	111.6	S167	R165-S167 PolarHBondContact O-N 3.23Å
166	K	22.6	Very low	24.9	Very low	211 Å²	211	148.5 Å²	148.5	92%	0.917	79%	0.786	S	S	*	*			trans	-52.9	119.5	161.6	-63.6	175.9	179.1	178.1	0	109.6
167	S	27.7	Very low	24.7	Very low	102 Å²	102	148.3 Å²	148.3	71%	0.713	79%	0.789	S	S	*	*			trans	-137.3	96	155.8	47.1	0	0	0	0	108.6	R165 V169	R165-S167 PolarHBondContact O-N 3.23Å; S167-V169 PolarHBondContact O-N 2.85Å
168	T	22.6	Very low	24.5	Very low	141 Å²	141	148.5 Å²	148.5	87%	0.865	79%	0.793	S	S	*	*			trans	-68	107.3	171.7	6.7	0	0	0	0	108.6
169	V	25.6	Very low	24.3	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	80%	0.797	S	S	*	*			trans	-121.4	117.8	169.1	-176.1	0	0	0	0	108.1	S167 F171	S167-V169 PolarHBondContact O-N 2.85Å; V169-F171 PolarHBondContact O-N 2.83Å
170	N	23.8	Very low	24	Very low	150 Å²	150	148.5 Å²	148.5	80%	0.802	80%	0.797	S	S	*	*			trans	-68.6	128.3	-174.8	-72.2	-44	0	0	0	111.3	K172	N170-K172 PolarHBondContact O-N 3.33Å
171	F	20.9	Very low	23.7	Very low	210 Å²	210	151.7 Å²	151.7	92%	0.921	81%	0.81	S	S	*	*			trans	-67	110.4	164	-76.2	-94.5	0	0	0	109.4	V169	V169-F171 PolarHBondContact O-N 2.83Å
172	K	23.3	Very low	23.6	Very low	203 Å²	203	148.6 Å²	148.6	88%	0.883	81%	0.805	S	S	*	*			trans	-108	110.4	158	-109	-174.5	175.9	-176.8	0	108.9	N170 G174	N170-K172 PolarHBondContact O-N 3.33Å; K172-G174 PolarHBondContact O-N 2.72Å
173	M	20	Very low	23.1	Very low	182 Å²	182	148.7 Å²	148.7	90%	0.897	81%	0.807	S	S	*	*			trans	-62.9	120.3	175.5	-153.3	76.6	176.4	0	0	109.2
174	G	23.1	Very low	22.8	Very low	70 Å²	70	151.2 Å²	151.2	72%	0.722	81%	0.809	S	S	*	*			trans	-135.4	104.2	179.3	0	0	0	0	0	110.5	K172	K172-G174 PolarHBondContact O-N 2.72Å
175	N	20	Very low	22.4	Very low	143 Å²	143	149.1 Å²	149.1	77%	0.765	80%	0.802	S	S	*	*			trans	-72.7	143.7	174	-68.3	-26.5	0	0	0	110.9
176	I	24.4	Very low	21.9	Very low	165 Å²	165	144.7 Å²	144.7	85%	0.846	80%	0.795	S	S	*	*			trans	165.6	99.5	151.2	-85.9	148.8	0	0	0	104.1
177	S	20.3	Very low	21.9	Very low	99 Å²	99	141.6 Å²	141.6	69%	0.692	79%	0.794	S	S	*	*				64.2	104.4	82.6	-162.7	0	0	0	0	114.8
178	S	19.9	Very low	21.5	Very low	103 Å²	103	141.8 Å²	141.8	72%	0.72	80%	0.795	S	S	*	*			trans	47.9	113.4	134.9	-47.7	0	0	0	0	121.1
179	Q	22	Very low	21.7	Very low	183 Å²	183	140.7 Å²	140.7	86%	0.855	79%	0.794	S	S	*	*				157.4	121	126.7	-88.6	-174.6	-2.5	0	0	110.8
180	V	20.1	Very low	21.5	Very low	117 Å²	117	141.8 Å²	141.8	71%	0.709	80%	0.795	S	S	*	*				93.2	118.8	78.1	165	0	0	0	0	114.3
181	N	19.2	Very low	21.7	Very low	162 Å²	162	144 Å²	144	87%	0.866	80%	0.8	S	S	*	*			trans	58.8	145.1	153.5	-66.7	-10.4	0	0	0	123.8
182	G	22.8	Very low	21.8	Very low	68 Å²	68	138.3 Å²	138.3	70%	0.701	79%	0.787	S	S	*	*			trans	137.6	73.8	171.6	0	0	0	0	0	110.8
183	Q	20.1	Very low	21.6	Very low	175 Å²	175	136.4 Å²	136.4	82%	0.818	78%	0.783	S	S	*	*				58.7	142.2	82.7	-71.9	-162	-15.5	0	0	116
184	Q	22.3	Very low	21.9	Very low	173 Å²	173	132.7 Å²	132.7	81%	0.808	78%	0.775	S	S	*	*			trans	79.3	145.2	167.2	-56.3	-170.3	17.8	0	0	117.7
185	T	20.5	Very low	21.8	Very low	113 Å²	113	134.6 Å²	134.6	69%	0.693	77%	0.773	S	S	*	*			cis	-158.3	154.8	-19.9	-86.9	0	0	0	0	109
186	L	18.8	Very low	22	Very low	148 Å²	148	135 Å²	135	78%	0.775	77%	0.77	S	S	*	*			trans	-30.5	138.6	167.1	-62.7	147.3	0	0	0	116.5
187	T	23.8	Very low	22.2	Very low	145 Å²	145	134.6 Å²	134.6	89%	0.89	76%	0.764	S	S	*	*			trans	-132.8	133.7	134	50.1	0	0	0	0	110
188	S	18.9	Very low	22.2	Very low	106 Å²	106	139.5 Å²	139.5	74%	0.741	77%	0.773	S	S	*	*			trans	-112.5	140.9	170.6	-55.7	0	0	0	0	108.2
189	S	26.3	Very low	22.5	Very low	119 Å²	119	142.4 Å²	142.4	83%	0.832	78%	0.78	S	S	*	*			trans	-150.1	127.5	158.2	45.4	0	0	0	0	110.1
190	D	20.7	Very low	22.5	Very low	143 Å²	143	142.8 Å²	142.8	77%	0.765	78%	0.779	S	S	*	*			trans	-72.2	157.6	-178.5	-56.9	-83.2	0	0	0	112.5
191	H	29.4	Very low	22.7	Very low	196 Å²	196	145.7 Å²	145.7	91%	0.907	79%	0.79	S	S	*	*				-158.4	117.9	126.6	-102	-63.1	0	0	0	111.9
192	S	21.6	Very low	22.9	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	78%	0.78	S	S	*	*			trans	-69.4	142.7	165.9	60.7	0	0	0	0	110.9
193	M	20.2	Very low	22.7	Very low	163 Å²	163	145.9 Å²	145.9	80%	0.803	78%	0.783	S	S	*	*				174.5	157.1	80	-87.7	-89.2	83.4	0	0	104.2
194	S	25.2	Very low	22.8	Very low	104 Å²	104	143.7 Å²	143.7	73%	0.727	78%	0.782	S	S	*	*			cis	-165.5	162.4	44.8	-173.1	0	0	0	0	110.2
195	T	20.6	Very low	22.8	Very low	109 Å²	109	144 Å²	144	67%	0.669	78%	0.783	S	S	*	*			trans	-101.5	-175.1	-179.3	47.4	0	0	0	0	112.7
196	H	25.4	Very low	23	Very low	152 Å²	152	142.3 Å²	142.3	70%	0.704	79%	0.787	S	S	*	*			trans	93.8	135.2	178.1	-60.5	-87.8	0	0	0	115.5
197	H	27.3	Very low	23.1	Very low	156 Å²	156	141.3 Å²	141.3	72%	0.722	79%	0.787	S	S	*	*			cis	-142.7	137.3	-0.1	-121.4	-66.5	0	0	0	111.1
198	K	22.2	Very low	23.1	Very low	202 Å²	202	140.8 Å²	140.8	88%	0.878	78%	0.779	S	S	*	*			trans	-83.2	126.1	163.3	-75.3	173.7	177	169.4	0	108.9
199	N	26.1	Very low	23.3	Very low	164 Å²	164	143.9 Å²	143.9	88%	0.877	78%	0.781	S	S	*	*			trans	-117.4	122	161.1	-95.8	-13.6	0	0	0	110
200	K	22.2	Very low	22.8	Very low	191 Å²	191	146.7 Å²	146.7	83%	0.83	78%	0.784	S	S	*	*			trans	-117.9	94.4	-174.3	-177.3	-172.1	-175.9	-172.7	0	107.1
201	L	23.2	Very low	23.1	Very low	178 Å²	178	145.8 Å²	145.8	93%	0.932	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-85.3	123.2	178.8	-161.9	72.7	0	0	0	110.1
202	V	22.5	Very low	22.7	Very low	111 Å²	111	141.2 Å²	141.2	67%	0.673	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90.7	144.8	-178	170.4	0	0	0	0	110.2
203	V	19.3	Very low	22.8	Very low	123 Å²	123	141.6 Å²	141.6	75%	0.745	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-75.7	127	175.1	176.2	0	0	0	0	109.9
204	T	22.9	Very low	23.3	Very low	130 Å²	130	142.8 Å²	142.8	80%	0.798	78%	0.782	S	S	*	*			trans	-109	131.6	164.9	43.2	0	0	0	0	110.3
205	H	21.8	Very low	23.1	Very low	180 Å²	180	144.3 Å²	144.3	83%	0.833	79%	0.786	S	S	*	*			trans	-77.1	138	171.9	-77	-101.4	0	0	0	110
206	G	25.2	Very low	23.3	Very low	76 Å²	76	147.3 Å²	147.3	78%	0.784	80%	0.797	S	S	*	*			trans	-143.4	109.2	167.8	0	0	0	0	0	108.5
207	V	19.9	Very low	23.1	Very low	127 Å²	127	148.5 Å²	148.5	77%	0.77	80%	0.803	S	S	*	*			trans	-110.1	120.2	172.2	174.2	0	0	0	0	105.8
208	D	24.7	Very low	22.7	Very low	135 Å²	135	146.8 Å²	146.8	72%	0.722	81%	0.807	S	S	*	*			trans	-166.9	133	142.9	-107.5	-40.2	0	0	0	113.9
209	Q	21.7	Very low	22.8	Very low	170 Å²	170	146.1 Å²	146.1	79%	0.794	80%	0.804	S	S	*	*			trans	55.1	131.4	146.8	-68.2	169.2	49.5	0	0	123.5
210	M	17.6	Very low	22.4	Very low	179 Å²	179	145.7 Å²	145.7	88%	0.882	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-81.5	151.7	166.5	-57.1	173.1	67.8	0	0	111.4
211	P	25.9	Very low	22.6	Very low	123 Å²	123	144.5 Å²	144.5	80%	0.799	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-103.8	142.4	150.1	33.2	-25.4	0	0	0	111.6
212	S	22.3	Very low	22.5	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-91	150.4	179.9	52.8	0	0	0	0	113.4
213	S	23.2	Very low	22.4	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	80%	0.798	S	S	*	*			trans	44.3	106.2	148.1	61.8	0	0	0	0	119.4
214	H	29.8	Very low	22.7	Very low	188 Å²	188	142.7 Å²	142.7	87%	0.87	81%	0.806	S	S	*	*			trans	-124.2	122.4	144.5	-88.5	-77.2	0	0	0	110.5
215	V	22.2	Very low	22.6	Very low	135 Å²	135	142.2 Å²	142.2	82%	0.818	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75	128.6	172.6	175.4	0	0	0	0	108.1
216	L	23.7	Very low	22.7	Very low	173 Å²	173	140.5 Å²	140.5	91%	0.906	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-102.2	123.5	171.5	-79.4	169.4	0	0	0	109.7
217	Q	21.2	Very low	22.5	Very low	177 Å²	177	144.7 Å²	144.7	83%	0.827	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-96.3	141.5	-170.8	-170.9	170.7	-3.6	0	0	110.7
218	C	19.1	Very low	22.8	Very low	119 Å²	119	148 Å²	148	80%	0.804	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-65.9	139.1	-177	-52.9	0	0	0	0	112.3
219	F	23.4	Very low	22.7	Very low	188 Å²	188	149.5 Å²	149.5	83%	0.825	82%	0.824	S	S	*	*			trans	-112.3	116.4	164.9	-100.4	-88.4	0	0	0	110.4	L221	F219-L221 HydrophobicContact CD1-CD1 4.34Å
220	N	19.4	Very low	22.6	Very low	155 Å²	155	148.2 Å²	148.2	83%	0.829	82%	0.821	S	S	*	*			trans	-82.8	134.4	160.7	-74.1	-30.9	0	0	0	108.3
221	L	26.3	Very low	22.8	Very low	166 Å²	166	148.5 Å²	148.5	87%	0.869	82%	0.82	S	S	*	*			trans	-126.6	120.7	155.8	-109.2	92.1	0	0	0	109.9	F219	F219-L221 HydrophobicContact CD1-CD1 4.34Å
222	S	20.4	Very low	22.7	Very low	98 Å²	98	151.6 Å²	151.6	69%	0.685	82%	0.824	S	S	*	*			trans	-105.2	142.9	174.1	52.1	0	0	0	0	110.3
223	T	20.6	Very low	22.9	Very low	128 Å²	128	154.2 Å²	154.2	79%	0.785	83%	0.83	S	S	*	*			trans	50.7	114	145.9	58.8	0	0	0	0	119.7
224	T	24.8	Very low	22.8	Very low	149 Å²	149	158.5 Å²	158.5	91%	0.914	84%	0.839	S	S	*	*				-152.2	132.9	120.9	24.6	0	0	0	0	110.2
225	S	20.8	Very low	22.6	Very low	119 Å²	119	156.9 Å²	156.9	83%	0.832	84%	0.835	S	S	*	*			trans	-90.7	140.6	175.4	-54.5	0	0	0	0	111.3
226	T	25.1	Very low	22.8	Very low	145 Å²	145	156 Å²	156	89%	0.89	83%	0.832	S	S	*	*			trans	-145.7	128.4	152.5	22.2	0	0	0	0	109.7
227	N	19.7	Very low	22.9	Very low	164 Å²	164	156.9 Å²	156.9	88%	0.877	83%	0.829	S	S	*	*			trans	-68.2	135.7	173.9	-69.1	-49	0	0	0	110.7
228	Q	27.6	Very low	23.2	Very low	195 Å²	195	157.2 Å²	157.2	91%	0.911	83%	0.831	S	S	*	*			trans	-156.4	162.1	135.6	-113	165.4	17.4	0	0	111.2
229	Q	21.6	Very low	23.8	Very low	167 Å²	167	154.9 Å²	154.9	78%	0.78	82%	0.816	S	S	*	*			trans	-89.9	151.7	-157.1	-75.4	159.9	-71.8	0	0	113.8
230	I	20.9	Very low	23.9	Very low	143 Å²	143	151.8 Å²	151.8	73%	0.733	82%	0.817	S	S	*	*			trans	46	110.1	138.4	-54.4	162.8	0	0	0	116.2
231	E	21.6	Very low	24.6	Very low	185 Å²	185	153 Å²	153	86%	0.864	82%	0.816	S	S	*	*				-160.8	164.9	95.7	-149.4	154.8	-151.3	0	0	111.4
232	H	22.7	Very low	24.8	Very low	188 Å²	188	150.1 Å²	150.1	87%	0.87	81%	0.809	S	S	*	*			trans	-74.2	120.2	177.5	-93.8	-103.5	0	0	0	110.7
233	D	27.5	Very low	25.2	Very low	157 Å²	157	151.9 Å²	151.9	84%	0.84	82%	0.816	S	S	*	*			trans	-152	146	148.9	-119.4	-28.9	0	0	0	113.8
234	Q	20.9	Very low	25.6	Very low	189 Å²	189	154.1 Å²	154.1	88%	0.883	82%	0.82	S	S	*	*			trans	-88.3	113.7	-173.9	-62.1	177.3	6.6	0	0	110.5
235	I	25.7	Very low	25.8	Very low	154 Å²	154	156.4 Å²	156.4	79%	0.79	82%	0.817	S	S	*	*			trans	-120.4	133.3	171.1	-61.6	-178.4	0	0	0	110
236	P	26.4	Very low	26	Very low	116 Å²	116	160 Å²	160	75%	0.753	82%	0.817	S	S	*	*			trans	-76.8	136.9	-163.1	-15.2	31.7	0	0	0	113.6	Q238	P236-Q238 PolarHBondContact O-N 3.21Å
237	F	26.1	Very low	26.2	Very low	192 Å²	192	159.4 Å²	159.4	84%	0.842	81%	0.814	S	S	*	*			trans	-73.5	94.6	178.6	-155.8	-97.3	0	0	0	111.2	S239	F237-S239 PolarHBondContact O-N 2.9Å
238	Q	26	Very low	26.6	Very low	185 Å²	185	159 Å²	159	86%	0.864	81%	0.806	S	S	*	*			trans	-67.7	81.3	168.3	-77.9	-171.3	-18.9	0	0	110.4	P236 S240	P236-Q238 PolarHBondContact O-N 3.21Å; Q238-S240 PolarHBondContact O-N 2.96Å; Q238-S240 VanDerWaalsContact O-N 3.13Å
239	S	31.7	Very low	26.9	Very low	70 Å²	70	153.9 Å²	153.9	49%	0.49	80%	0.797	S	S	.	*			trans	-64.9	113.2	170.5	58.9	0	0	0	0	109.8	F237 F241	F237-S239 PolarHBondContact O-N 2.9Å; S239-F241 PolarHBondContact O-N 3.04Å
240	S	26.6	Very low	27.6	Very low	123 Å²	123	148.5 Å²	148.5	86%	0.86	79%	0.787	S	S	*	*			trans	-76.7	72.1	-177.9	-67.9	0	0	0	0	111.2	Q238 S242	Q238-S240 PolarHBondContact O-N 2.96Å; Q238-S240 VanDerWaalsContact O-N 3.13Å; S240-S242 PolarHBondContact O-N 3.08Å; S240-S242 VanDerWaalsContact O-N 3.12Å
241	F	33	Very low	28.5	Very low	181 Å²	181	150.5 Å²	150.5	79%	0.794	79%	0.79	S	S	*	*			trans	-73.9	101.8	168.4	-85.1	-81.2	0	0	0	109.9	S239 T243	S239-F241 PolarHBondContact O-N 3.04Å; F241-T243 PolarHBondContact O-N 2.9Å; F241-T243 VanDerWaalsContact O-N 3.15Å
242	S	31.1	Very low	29.5	Very low	105 Å²	105	151 Å²	151	73%	0.734	79%	0.789	S	S	*	*			trans	-49.8	118.4	174.4	55.8	0	0	0	0	110.7	S240 M244	S240-S242 PolarHBondContact O-N 3.08Å; S240-S242 VanDerWaalsContact O-N 3.12Å; S242-M244 PolarHBondContact O-N 2.86Å
243	T	29.5	Very low	30.9	Very low	135 Å²	135	145.2 Å²	145.2	83%	0.828	77%	0.771	S	S	*	*			trans	-55.7	109.2	175.7	-47.6	0	0	0	0	109.5	F241 K245	F241-T243 PolarHBondContact O-N 2.9Å; F241-T243 VanDerWaalsContact O-N 3.15Å; T243-K245 PolarHBondContact O-N 2.84Å; T243-K245 VanDerWaalsContact O-N 3.13Å
244	M	28.6	Very low	32.2	Very low	175 Å²	175	139.5 Å²	139.5	86%	0.862	75%	0.749	S	S	*	*			trans	-55.6	123.8	175.8	-74.3	-165.8	76.4	0	0	108.9	S242 K246	S242-M244 PolarHBondContact O-N 2.86Å; M244-K246 PolarHBondContact O-N 3.39Å
245	K	27.8	Very low	33.9	Very low	196 Å²	196	133.5 Å²	133.5	85%	0.852	73%	0.727	S	S	*	*			trans	-57.2	114.1	-180	-78.3	-178	176.2	177.1	0	109.1	T243 V247	T243-K245 PolarHBondContact O-N 2.84Å; T243-K245 VanDerWaalsContact O-N 3.13Å; K245-V247 PolarHBondContact O-N 3.1Å
246	K	25.8	Very low	35.5	Very low	194 Å²	194	133 Å²	133	84%	0.843	72%	0.716	S	S	*	*			trans	-60	98.4	172.5	-172.6	179.3	-174	178	0	108.7	M244 E248	M244-K246 PolarHBondContact O-N 3.39Å; K246-E248 PolarHBondContact O-N 2.88Å
247	V	29.3	Very low	36.8	Very low	134 Å²	134	130.3 Å²	130.3	81%	0.812	70%	0.698	S	S	*	*			trans	-66.6	107.5	176.4	179.1	0	0	0	0	107.8	K245 A249	K245-V247 PolarHBondContact O-N 3.1Å; V247-A249 PolarHBondContact O-N 3.45Å
248	E	27.2	Very low	38.3	Very low	155 Å²	155	127.6 Å²	127.6	72%	0.724	69%	0.686	S	S	*	*			trans	-69.4	95.8	175.5	-75.6	-155.7	130.1	0	0	110.4	K246 G250	K246-E248 PolarHBondContact O-N 2.88Å; E248-G250 PolarHBondContact O-N 2.98Å
249	A	34.5	Very low	39.8	Very low	87 Å²	87	126.3 Å²	126.3	72%	0.719	67%	0.673	S	S	*	*			trans	-59.3	126.7	167.9	0	0	0	0	0	110.2	V247 K251	V247-A249 PolarHBondContact O-N 3.45Å; A249-K251 PolarHBondContact O-N 3.15Å
250	G	36.1	Very low	40.7	Very low	55 Å²	55	126 Å²	126	57%	0.567	67%	0.666	S	S	*	*			trans	-52.7	127.6	-170.2	0	0	0	0	0	114.2	E248 K252 S253	E248-G250 PolarHBondContact O-N 2.98Å; G250-K252 PolarHBondContact O-N 2.86Å; G250-S253 PolarHBondContact O-N 3.49Å
251	K	40.7	Very low	42	Very low	184 Å²	184	122 Å²	122	80%	0.8	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	-17.2	-168.1	-67.7	175.7	179.6	170.4	0	116.5	A249	A249-K251 PolarHBondContact O-N 3.15Å
252	K	42	Very low	43	Very low	195 Å²	195	121.2 Å²	121.2	85%	0.848	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-24.4	177.6	-69.4	-174.8	177.6	179.4	0	114.4	G250	G250-K252 PolarHBondContact O-N 2.86Å
253	S	52.1	Low	44	Very low	68 Å²	68	123.8 Å²	123.8	48%	0.476	62%	0.622	S	S	.	*	H	α-helix	trans	-73.2	-55.3	-176.4	177	0	0	0	0	112.2	G250 S255 Y256 T257	G250-S253 PolarHBondContact O-N 3.49Å; S253-S255 VanDerWaalsContact C-N 3.34Å; S253-S255 PolarHBondContact O-N 3.49Å; S253-S255 VanDerWaalsContact O-N 3.15Å; S253-Y256 PolarHBondContact O-N 3.18Å; S253-T257 PolarHBondContact O-N 3.46Å; S253-T257 PolarHBondContact O-OG1 3.36Å
254	G	54.8	Low	45	Very low	37 Å²	37	121.8 Å²	121.8	38%	0.381	60%	0.602	S	S	.	*	H	α-helix	trans	-61.4	-29.1	-167.4	0	0	0	0	0	116.6	T257 K258	G254-T257 WeakPolarHBondContact CA-OG1 3.43Å; G254-T257 PolarHBondContact O-OG1 3.25Å; G254-K258 VanDerWaalsContact O-CB 3.25Å; G254-K258 WeakPolarHBondContact O-CB 3.47Å; G254-K258 WeakPolarHBondContact O-CD 3.38Å; G254-K258 WeakPolarHBondContact O-CG 3.47Å; G254-K258 PolarHBondContact O-N 3.02Å
255	S	57.7	Low	46.2	Very low	62 Å²	62	115.6 Å²	115.6	43%	0.434	57%	0.569	S	S	.	*	H	α-helix	trans	-79.6	-32	175.7	175.5	0	0	0	0	112.6	S253 R259	S253-S255 VanDerWaalsContact C-N 3.34Å; S253-S255 PolarHBondContact O-N 3.49Å; S253-S255 VanDerWaalsContact O-N 3.15Å; S255-R259 WeakPolarHBondContact O-CB 3.39Å; S255-R259 WeakPolarHBondContact O-CG 3.4Å; S255-R259 PolarHBondContact O-N 2.84Å; S255-R259 PolarHBondContact O-NE 2.86Å; S255-R259 PolarHBondContact OG-NH2 3.19Å
256	Y	57.9	Low	47.3	Very low	143 Å²	143	109.3 Å²	109.3	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-74.4	-49.8	177.1	-179.6	-100.2	0	0	0	110.1	S253 K258 R259 L260	S253-Y256 PolarHBondContact O-N 3.18Å; Y256-K258 PolarHBondContact O-N 2.99Å; Y256-R259 PolarHBondContact O-N 3.34Å; Y256-R259 VanDerWaalsContact O-N 3.14Å; Y256-L260 HydrophobicContact CE1-CD2 4.04Å; Y256-L260 WeakPolarHBondContact O-CB 3.47Å; Y256-L260 PolarHBondContact O-N 2.83Å
257	T	53.9	Low	48.5	Very low	61 Å²	61	104.6 Å²	104.6	37%	0.374	53%	0.529	S	S	.	.	H	α-helix	trans	-58.5	-48.7	176.1	54	0	0	0	0	111.4	S253 G254 R259 L260 T261	S253-T257 PolarHBondContact O-N 3.46Å; S253-T257 PolarHBondContact O-OG1 3.36Å; G254-T257 WeakPolarHBondContact CA-OG1 3.43Å; G254-T257 PolarHBondContact O-OG1 3.25Å; T257-R259 VanDerWaalsContact C-N 3.31Å; T257-R259 PolarHBondContact O-N 3.01Å; T257-L260 PolarHBondContact O-N 2.96Å; T257-L260 VanDerWaalsContact O-N 3.12Å; T257-T261 WeakPolarHBondContact O-CB 3.5Å; T257-T261 PolarHBondContact O-N 3.4Å; T257-T261 PolarHBondContact O-OG1 3.2Å
258	K	57.7	Low	49.5	Very low	134 Å²	134	101.2 Å²	101.2	58%	0.583	51%	0.507	S	S	*	.	H	α-helix	trans	-56.8	-39.9	174.9	-75.7	177.6	-179	-172.6	0	113.4	G254 Y256 R262 L377	G254-K258 VanDerWaalsContact O-CB 3.25Å; G254-K258 WeakPolarHBondContact O-CB 3.47Å; G254-K258 WeakPolarHBondContact O-CD 3.38Å; G254-K258 WeakPolarHBondContact O-CG 3.47Å; G254-K258 PolarHBondContact O-N 3.02Å; Y256-K258 PolarHBondContact O-N 2.99Å; K258-R262 VanDerWaalsContact O-CB 3.25Å; K258-R262 WeakPolarHBondContact O-CB 3.42Å; K258-R262 PolarHBondContact O-N 3.46Å; K258-L377 HydrophobicContact CB-CD1 4.3Å; K258-L377 HydrophobicContact CG-CD1 4.23Å; K258-L377 HydrophobicContact CG-CD2 4.33Å
259	R	58	Low	50.9	Low	158 Å²	158	95 Å²	95	60%	0.596	48%	0.478	S	S	*	.	H	α-helix	trans	-68.6	-40.9	175.9	-87.3	-176.5	-77	-175.8	-7.6	112.4	S255 Y256 T257 R263	S255-R259 WeakPolarHBondContact O-CB 3.39Å; S255-R259 WeakPolarHBondContact O-CG 3.4Å; S255-R259 PolarHBondContact O-N 2.84Å; S255-R259 PolarHBondContact O-NE 2.86Å; S255-R259 PolarHBondContact OG-NH2 3.19Å; Y256-R259 PolarHBondContact O-N 3.34Å; Y256-R259 VanDerWaalsContact O-N 3.14Å; T257-R259 VanDerWaalsContact C-N 3.31Å; T257-R259 PolarHBondContact O-N 3.01Å; R259-R263 WeakPolarHBondContact O-CB 3.29Å; R259-R263 PolarHBondContact O-N 3.15Å
260	L	51.5	Low	51.8	Low	65 Å²	65	91.1 Å²	91.1	34%	0.34	45%	0.445	S	S	.	.	H	α-helix	trans	-67.2	-49	179.7	-164.6	71.6	0	0	0	110.7	Y256 T257 R262 R263 F264	Y256-L260 HydrophobicContact CE1-CD2 4.04Å; Y256-L260 WeakPolarHBondContact O-CB 3.47Å; Y256-L260 PolarHBondContact O-N 2.83Å; T257-L260 PolarHBondContact O-N 2.96Å; T257-L260 VanDerWaalsContact O-N 3.12Å; L260-R262 PolarHBondContact O-N 2.95Å; L260-R263 PolarHBondContact O-N 3.28Å; L260-R263 VanDerWaalsContact O-N 3.15Å; L260-F264 HydrophobicContact CD1-CD2 4.33Å; L260-F264 HydrophobicContact CD1-CE2 3.85Å; L260-F264 HydrophobicContact CD2-CE2 4.06Å; L260-F264 HydrophobicContact CG-CD2 3.84Å; L260-F264 HydrophobicContact CG-CE2 3.62Å; L260-F264 WeakPolarHBondContact O-CD2 3.29Å; L260-F264 PolarHBondContact O-N 3.14Å
261	T	53	Low	52.6	Low	37 Å²	37	89.6 Å²	89.6	23%	0.227	42%	0.424	C	S	.	.	H	α-helix	trans	-59	-43.5	173.3	-54.8	0	0	0	0	111.9	T257 R263 R265 M375 L377	T257-T261 WeakPolarHBondContact O-CB 3.5Å; T257-T261 PolarHBondContact O-N 3.4Å; T257-T261 PolarHBondContact O-OG1 3.2Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.79Å; T261-R265 VanDerWaalsContact O-CB 3.26Å; T261-R265 WeakPolarHBondContact O-CB 3.45Å; T261-R265 PolarHBondContact O-N 2.99Å; T261-M375 WeakPolarHBondContact CG2-O 3.29Å; T261-L377 HydrophobicContact CG2-CD2 3.76Å; T261-L377 HydrophobicContact CG2-CG 3.99Å
262	R	53.3	Low	53.3	Low	165 Å²	165	84.5 Å²	84.5	62%	0.623	41%	0.405	S	S	*	.	H	α-helix	trans	-61.3	-42.3	175	-169.9	-174.3	77	94.9	-0.8	111.5	K258 L260 R265 C266	K258-R262 VanDerWaalsContact O-CB 3.25Å; K258-R262 WeakPolarHBondContact O-CB 3.42Å; K258-R262 PolarHBondContact O-N 3.46Å; L260-R262 PolarHBondContact O-N 2.95Å; R262-R265 PolarHBondContact O-N 2.95Å; R262-C266 PolarHBondContact O-N 2.95Å; R262-C266 PolarHBondContact O-SG 3.2Å
263	R	52.2	Low	53.9	Low	160 Å²	160	82.8 Å²	82.8	60%	0.604	39%	0.394	S	S	*	.	H	α-helix	trans	-65.2	-52.2	178.9	-178.4	172.3	178.6	137.4	11.2	111.5	R259 L260 T261 R265 C266 E267	R259-R263 WeakPolarHBondContact O-CB 3.29Å; R259-R263 PolarHBondContact O-N 3.15Å; L260-R263 PolarHBondContact O-N 3.28Å; L260-R263 VanDerWaalsContact O-N 3.15Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.79Å; R263-R265 VanDerWaalsContact C-N 3.29Å; R263-R265 PolarHBondContact O-N 3.13Å; R263-C266 PolarHBondContact O-N 3.45Å; R263-C266 VanDerWaalsContact O-N 3.13Å; R263-E267 WeakPolarHBondContact CG-OE1 3.38Å; R263-E267 IonicContact CZ-OE1 2.72Å; R263-E267 IonicContact NE-OE1 3.54Å; R263-E267 PolarHBondContact NE-OE1 3.38Å; R263-E267 IonicContact NH2-OE1 3.51Å; R263-E267 PolarHBondContact NH2-OE1 2.86Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 3.12Å
264	F	50	Low	54.2	Low	93 Å²	93	81.9 Å²	81.9	41%	0.408	39%	0.388	S	S	.	.	H	α-helix	trans	-59.2	-38.7	175.7	-80.2	-61.1	0	0	0	112.3	L260 E267 N268 M375	L260-F264 HydrophobicContact CD1-CD2 4.33Å; L260-F264 HydrophobicContact CD1-CE2 3.85Å; L260-F264 HydrophobicContact CD2-CE2 4.06Å; L260-F264 HydrophobicContact CG-CD2 3.84Å; L260-F264 HydrophobicContact CG-CE2 3.62Å; L260-F264 WeakPolarHBondContact O-CD2 3.29Å; L260-F264 PolarHBondContact O-N 3.14Å; F264-E267 CarbonylContact O-C 3.59Å; F264-E267 PolarHBondContact O-N 2.85Å; F264-N268 VanDerWaalsContact O-CB 3.29Å; F264-N268 WeakPolarHBondContact O-CB 3.29Å; F264-N268 PolarHBondContact O-N 3.2Å; F264-N268 PolarHBondContact O-ND2 3.32Å; F264-M375 HydrophobicContact CB-CE 3.71Å; F264-M375 HydrophobicContact CG-CE 4.39Å
265	R	54.3	Low	54.5	Low	45 Å²	45	81.9 Å²	81.9	17%	0.17	38%	0.376	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.1	-172.6	176.9	-179.2	178.4	8	111.6	T261 R262 R263 E267 N268 M269 E468	T261-R265 VanDerWaalsContact O-CB 3.26Å; T261-R265 WeakPolarHBondContact O-CB 3.45Å; T261-R265 PolarHBondContact O-N 2.99Å; R262-R265 PolarHBondContact O-N 2.95Å; R263-R265 VanDerWaalsContact C-N 3.29Å; R263-R265 PolarHBondContact O-N 3.13Å; R265-E267 VanDerWaalsContact C-N 3.27Å; R265-E267 PolarHBondContact O-N 3.26Å; R265-N268 PolarHBondContact O-N 3.37Å; R265-M269 HydrophobicContact CG-CG 4.11Å; R265-M269 HydrophobicContact CG-SD 3.62Å; R265-M269 PolarHBondContact NE-SD 3.04Å; R265-M269 VanDerWaalsContact NE-SD 3.39Å; R265-M269 VanDerWaalsContact O-CG 3.29Å; R265-M269 WeakPolarHBondContact O-CG 3.38Å; R265-M269 PolarHBondContact O-N 3.25Å; R265-E468 IonicContact CZ-OE2 3.84Å; R265-E468 IonicContact NH1-OE2 3.91Å; R265-E468 PolarHBondContact NH1-OE2 2.88Å; R265-E468 IonicContact NH2-OE2 3.03Å; R265-E468 PolarHBondContact NH2-OE2 2.76Å
266	C	51.1	Low	54.8	Low	64 Å²	64	80 Å²	80	43%	0.432	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-23.8	175.1	-66.2	0	0	0	0	114.2	R262 R263 N272	R262-C266 PolarHBondContact O-N 2.95Å; R262-C266 PolarHBondContact O-SG 3.2Å; R263-C266 PolarHBondContact O-N 3.45Å; R263-C266 VanDerWaalsContact O-N 3.13Å; C266-N272 PolarHBondContact O-ND2 3.09Å
267	E	51	Low	55.1	Low	94 Å²	94	76.7 Å²	76.7	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-83.6	-27.6	174.4	-71.5	167.2	176.1	0	0	111.6	R263 F264 R265	R263-E267 WeakPolarHBondContact CG-OE1 3.38Å; R263-E267 IonicContact CZ-OE1 2.72Å; R263-E267 IonicContact NE-OE1 3.54Å; R263-E267 PolarHBondContact NE-OE1 3.38Å; R263-E267 IonicContact NH2-OE1 3.51Å; R263-E267 PolarHBondContact NH2-OE1 2.86Å; R263-E267 WeakPolarHBondContact O-CG 3.47Å; R263-E267 PolarHBondContact O-N 3.12Å; F264-E267 CarbonylContact O-C 3.59Å; F264-E267 PolarHBondContact O-N 2.85Å; R265-E267 VanDerWaalsContact C-N 3.27Å; R265-E267 PolarHBondContact O-N 3.26Å
268	N	51.6	Low	55.6	Low	63 Å²	63	76.3 Å²	76.3	34%	0.337	35%	0.351	S	S	.	.	H	α-helix	trans	-95.4	-24.4	-177.6	-75.5	-22.9	0	0	0	115.7	F264 R265 I270 K368 M375	F264-N268 VanDerWaalsContact O-CB 3.29Å; F264-N268 WeakPolarHBondContact O-CB 3.29Å; F264-N268 PolarHBondContact O-N 3.2Å; F264-N268 PolarHBondContact O-ND2 3.32Å; R265-N268 PolarHBondContact O-N 3.37Å; N268-I270 PolarHBondContact O-N 3.49Å; N268-K368 WeakPolarHBondContact O-CE 3.18Å; N268-M375 PolarHBondContact ND2-SD 2.76Å
269	M	55.7	Low	56	Low	26 Å²	26	71 Å²	71	13%	0.128	33%	0.328	C	S	.	.			trans	-69.3	123.7	173.6	-69	172.4	66.3	0	0	110	R265 L271 N272 E369 A372 Q557	R265-M269 HydrophobicContact CG-CG 4.11Å; R265-M269 HydrophobicContact CG-SD 3.62Å; R265-M269 PolarHBondContact NE-SD 3.04Å; R265-M269 VanDerWaalsContact NE-SD 3.39Å; R265-M269 VanDerWaalsContact O-CG 3.29Å; R265-M269 WeakPolarHBondContact O-CG 3.38Å; R265-M269 PolarHBondContact O-N 3.25Å; M269-L271 VanDerWaalsContact C-N 3.3Å; M269-L271 PolarHBondContact O-N 3.06Å; M269-N272 WeakPolarHBondContact O-CB 2.88Å; M269-N272 PolarHBondContact O-N 3.01Å; M269-E369 WeakPolarHBondContact CG-OE2 3.35Å; M269-A372 HydrophobicContact CG-CB 4Å; M269-Q557 VanDerWaalsContact CE-CD 3.47Å
270	I	53.8	Low	56.6	Low	4 Å²	4	68.2 Å²	68.2	2%	0.021	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-35.8	177.1	-72.2	178.7	0	0	0	110.6	N268 N272 Y275 I291 V364 I365 K368 E369	N268-I270 PolarHBondContact O-N 3.49Å; I270-N272 PolarHBondContact O-N 3.38Å; I270-Y275 HydrophobicContact CG2-CD2 4.27Å; I270-Y275 HydrophobicContact CG2-CG 4.03Å; I270-Y275 WeakPolarHBondContact O-CB 3.29Å; I270-Y275 WeakPolarHBondContact O-CD2 3.13Å; I270-I291 HydrophobicContact CD1-CD1 4.22Å; I270-V364 HydrophobicContact CD1-CG1 4.45Å; I270-I365 HydrophobicContact CD1-CG1 4.47Å; I270-I365 HydrophobicContact CG2-CG1 4.2Å; I270-K368 HydrophobicContact CD1-CB 3.51Å; I270-K368 HydrophobicContact CD1-CD 3.75Å; I270-K368 HydrophobicContact CD1-CG 3.91Å; I270-K368 HydrophobicContact CG1-CB 3.94Å; I270-K368 HydrophobicContact CG1-CD 3.57Å; I270-K368 HydrophobicContact CG1-CG 3.78Å; I270-E369 WeakPolarHBondContact CA-OE1 3.34Å; I270-E369 PolarHBondContact N-OE1 3.26Å
271	L	52.9	Low	57.8	Low	23 Å²	23	69 Å²	69	12%	0.12	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	5.7	-179.9	-63.9	175.9	0	0	0	114.1	M269 R273 M276 E369 L555 Q557	M269-L271 VanDerWaalsContact C-N 3.3Å; M269-L271 PolarHBondContact O-N 3.06Å; L271-R273 PolarHBondContact O-N 2.97Å; L271-R273 VanDerWaalsContact O-N 3.09Å; L271-M276 HydrophobicContact CD2-CG 3.79Å; L271-M276 HydrophobicContact CD2-SD 3.42Å; L271-M276 WeakPolarHBondContact CD2-SD 3.19Å; L271-E369 HydrophobicContact CD1-CG 4.45Å; L271-E369 HydrophobicContact CG-CG 4.46Å; L271-E369 PolarHBondContact N-OE1 3.05Å; L271-L555 HydrophobicContact CD1-CD1 4.42Å; L271-Q557 HydrophobicContact CD1-CB 3.86Å; L271-Q557 HydrophobicContact CD1-CG 4.42Å
272	N	54.3	Low	58.9	Low	77 Å²	77	69.7 Å²	69.7	41%	0.412	35%	0.352	S	S	.	.	S	Bend	trans	-46.7	118.5	155.9	-176.3	-34.6	0	0	0	109.9	C266 M269 I270 S274 Y275	C266-N272 PolarHBondContact O-ND2 3.09Å; M269-N272 WeakPolarHBondContact O-CB 2.88Å; M269-N272 PolarHBondContact O-N 3.01Å; I270-N272 PolarHBondContact O-N 3.38Å; N272-S274 PolarHBondContact O-N 3.41Å; N272-Y275 PolarHBondContact O-N 3.09Å
273	R	56.1	Low	60.5	Low	159 Å²	159	65.5 Å²	65.5	60%	0.6	34%	0.342	S	S	*	.	H	α-helix	trans	-37.9	-35.4	-167.4	-165.2	74	-173.6	-173.5	10.4	115.1	L271 Y275 M276 T277	L271-R273 PolarHBondContact O-N 2.97Å; L271-R273 VanDerWaalsContact O-N 3.09Å; R273-Y275 VanDerWaalsContact C-N 3.32Å; R273-Y275 PolarHBondContact O-N 3.4Å; R273-M276 PolarHBondContact O-N 3.47Å; R273-T277 PolarHBondContact O-N 3.24Å; R273-T277 PolarHBondContact O-OG1 3.36Å
274	S	56.6	Low	62.3	Low	50 Å²	50	60 Å²	60	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-65.1	-21.2	-179.4	83	0	0	0	0	116.2	N272 K290	N272-S274 PolarHBondContact O-N 3.41Å; S274-K290 VanDerWaalsContact C-NZ 3.26Å; S274-K290 VanDerWaalsContact CB-NZ 3.31Å; S274-K290 PolarHBondContact O-NZ 3.01Å; S274-K290 PolarHBondContact OG-NZ 3.47Å
275	Y	62.4	Low	64.2	Low	37 Å²	37	59.8 Å²	59.8	15%	0.145	32%	0.323	C	S	.	.	H	α-helix	trans	-85.3	-44.5	170.8	-69.2	-83.5	0	0	0	110.5	I270 N272 R273 T277 L278 Y279 K290 I291	I270-Y275 HydrophobicContact CG2-CD2 4.27Å; I270-Y275 HydrophobicContact CG2-CG 4.03Å; I270-Y275 WeakPolarHBondContact O-CB 3.29Å; I270-Y275 WeakPolarHBondContact O-CD2 3.13Å; N272-Y275 PolarHBondContact O-N 3.09Å; R273-Y275 VanDerWaalsContact C-N 3.32Å; R273-Y275 PolarHBondContact O-N 3.4Å; Y275-T277 PolarHBondContact O-N 3.25Å; Y275-L278 PolarHBondContact O-N 3.46Å; Y275-Y279 PolarHBondContact O-N 3.02Å; Y275-K290 HydrophobicContact CD1-CD 3.93Å; Y275-K290 HydrophobicContact CD1-CG 4.26Å; Y275-K290 HydrophobicContact CE1-CB 4.2Å; Y275-K290 HydrophobicContact CE1-CD 3.78Å; Y275-K290 HydrophobicContact CE1-CG 3.65Å; Y275-I291 HydrophobicContact CD1-CD1 4.36Å; Y275-I291 HydrophobicContact CD1-CG1 3.67Å; Y275-I291 HydrophobicContact CE1-CB 4.35Å; Y275-I291 HydrophobicContact CE1-CG1 3.42Å; Y275-I291 VanDerWaalsContact CE1-CG1 3.42Å
276	M	62.7	Low	65.9	Low	21 Å²	21	58.5 Å²	58.5	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-55.5	-38.1	173.3	-72.5	-58.6	-67.8	0	0	112	L271 R273 L278 Y279 E280	L271-M276 HydrophobicContact CD2-CG 3.79Å; L271-M276 HydrophobicContact CD2-SD 3.42Å; L271-M276 WeakPolarHBondContact CD2-SD 3.19Å; R273-M276 PolarHBondContact O-N 3.47Å; M276-L278 VanDerWaalsContact C-N 3.32Å; M276-L278 PolarHBondContact O-N 3.31Å; M276-Y279 HydrophobicContact CE-CD1 4.11Å; M276-Y279 PolarHBondContact O-N 2.89Å; M276-Y279 HydrophobicContact SD-CD1 4.13Å; M276-E280 WeakPolarHBondContact O-CB 3.37Å; M276-E280 WeakPolarHBondContact O-CG 3.33Å; M276-E280 PolarHBondContact O-N 3.49Å
277	T	65.5	Low	67.7	Low	75 Å²	75	55.5 Å²	55.5	46%	0.46	30%	0.303	S	S	.	.	H	α-helix	trans	-60.2	-34.7	174.8	-56.1	0	0	0	0	114.1	R273 Y275 A281	R273-T277 PolarHBondContact O-N 3.24Å; R273-T277 PolarHBondContact O-OG1 3.36Å; Y275-T277 PolarHBondContact O-N 3.25Å; T277-A281 VanDerWaalsContact O-CB 3.22Å; T277-A281 WeakPolarHBondContact O-CB 3.45Å; T277-A281 PolarHBondContact O-N 2.93Å
278	L	63.4	Low	69.6	Low	52 Å²	52	51 Å²	51	27%	0.272	28%	0.282	S	S	.	.	H	α-helix	trans	-78.6	-37.3	176.5	-69.1	175.4	0	0	0	111.9	Y275 M276 A281 G282 D283 T287 K290	Y275-L278 PolarHBondContact O-N 3.46Å; M276-L278 VanDerWaalsContact C-N 3.32Å; M276-L278 PolarHBondContact O-N 3.31Å; L278-A281 CarbonylContact O-C 3.56Å; L278-A281 PolarHBondContact O-N 3.28Å; L278-G282 PolarHBondContact O-N 2.97Å; L278-D283 PolarHBondContact O-N 2.93Å; L278-T287 WeakPolarHBondContact CB-OG1 3.29Å; L278-K290 HydrophobicContact CD1-CB 4.42Å; L278-K290 HydrophobicContact CD1-CD 3.52Å
279	Y	67.5	Low	71.6	Confident	23 Å²	23	49.2 Å²	49.2	9%	0.09	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-46.8	176.1	-177.1	-108.9	0	0	0	112	L153 V155 Y275 M276 A281 G282 L361	L153-Y279 HydrophobicContact CD2-CE2 4.47Å; L153-Y279 WeakPolarHBondContact CD2-OH 3.42Å; V155-Y279 HydrophobicContact CG2-CE1 3.96Å; Y275-Y279 PolarHBondContact O-N 3.02Å; M276-Y279 HydrophobicContact CE-CD1 4.11Å; M276-Y279 PolarHBondContact O-N 2.89Å; M276-Y279 HydrophobicContact SD-CD1 4.13Å; Y279-A281 VanDerWaalsContact C-N 3.25Å; Y279-A281 PolarHBondContact O-N 2.91Å; Y279-G282 PolarHBondContact O-N 3.11Å; Y279-L361 HydrophobicContact CD2-CD2 3.62Å; Y279-L361 HydrophobicContact CE2-CD2 3.89Å
280	E	69.2	Low	73.1	Confident	100 Å²	100	51.5 Å²	51.5	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-31.2	171.8	-71.3	164.4	-168.2	0	0	112.1	M276 G282	M276-E280 WeakPolarHBondContact O-CB 3.37Å; M276-E280 WeakPolarHBondContact O-CG 3.33Å; M276-E280 PolarHBondContact O-N 3.49Å; E280-G282 VanDerWaalsContact C-N 3.27Å
281	A	76.5	Confident	74.8	Confident	80 Å²	80	52 Å²	52	66%	0.661	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-4.5	173.5	0	0	0	0	0	114	T277 L278 Y279 D283	T277-A281 VanDerWaalsContact O-CB 3.22Å; T277-A281 WeakPolarHBondContact O-CB 3.45Å; T277-A281 PolarHBondContact O-N 2.93Å; L278-A281 CarbonylContact O-C 3.56Å; L278-A281 PolarHBondContact O-N 3.28Å; Y279-A281 VanDerWaalsContact C-N 3.25Å; Y279-A281 PolarHBondContact O-N 2.91Å; A281-D283 PolarHBondContact O-N 3.28Å
282	G	77.4	Confident	76.6	Confident	53 Å²	53	51.3 Å²	51.3	55%	0.546	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	3.9	178.4	0	0	0	0	0	115.7	L278 Y279 E280 I284	L278-G282 PolarHBondContact O-N 2.97Å; Y279-G282 PolarHBondContact O-N 3.11Å; E280-G282 VanDerWaalsContact C-N 3.27Å; G282-I284 VanDerWaalsContact C-N 3.29Å; G282-I284 PolarHBondContact O-N 2.96Å
283	D	86.8	Confident	78.4	Confident	76 Å²	76	56.1 Å²	56.1	41%	0.406	30%	0.3	S	S	.	.			trans	-85.1	71	176.8	-173.9	12.6	0	0	0	111.3	L278 A281 K285 G286 T287	L278-D283 PolarHBondContact O-N 2.93Å; A281-D283 PolarHBondContact O-N 3.28Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.39Å; D283-G286 PolarHBondContact O-N 2.9Å; D283-G286 WeakPolarHBondContact OD1-CA 3.49Å; D283-G286 PolarHBondContact OD1-N 2.86Å; D283-G286 WeakPolarHBondContact OD2-CA 3.25Å; D283-T287 WeakPolarHBondContact O-CB 3.41Å; D283-T287 PolarHBondContact O-N 2.7Å; D283-T287 PolarHBondContact O-OG1 2.76Å
284	I	88.6	Confident	80.3	Confident	45 Å²	45	49.5 Å²	49.5	23%	0.231	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-40.9	-179.6	-55.3	-179.7	0	0	0	110.8	G282 T287 L288 F357 L361	G282-I284 VanDerWaalsContact C-N 3.29Å; G282-I284 PolarHBondContact O-N 2.96Å; I284-T287 WeakPolarHBondContact O-CB 3.26Å; I284-T287 PolarHBondContact O-N 2.83Å; I284-L288 PolarHBondContact O-N 2.88Å; I284-F357 HydrophobicContact CB-CB 4.41Å; I284-F357 HydrophobicContact CG2-CB 3.64Å; I284-F357 WeakPolarHBondContact CG2-O 3.48Å; I284-L361 HydrophobicContact CB-CD2 4.45Å; I284-L361 HydrophobicContact CG2-CB 4.12Å; I284-L361 HydrophobicContact CG2-CD2 3.66Å
285	K	91.3	Very high	82	Confident	88 Å²	88	53.1 Å²	53.1	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-67	-47.3	179.8	176.9	175	170.9	168.9	0	111.7	D283 T287 L288 F289 Y297 F357	D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.39Å; K285-T287 VanDerWaalsContact C-N 3.31Å; K285-T287 PolarHBondContact O-N 3.32Å; K285-L288 PolarHBondContact O-N 2.99Å; K285-F289 HydrophobicContact CG-CD2 4.04Å; K285-F289 HydrophobicContact CG-CE2 4.04Å; K285-F289 WeakPolarHBondContact O-CD2 3.4Å; K285-F289 PolarHBondContact O-N 2.98Å; K285-Y297 WeakPolarHBondContact CE-OH 3.36Å; K285-Y297 PolarHBondContact NZ-OH 2.94Å; K285-F357 HydrophobicContact CB-CD2 4.24Å; K285-F357 HydrophobicContact CB-CE2 4.16Å; K285-F357 HydrophobicContact CB-CZ 4.35Å; K285-F357 HydrophobicContact CD-CE2 3.93Å; K285-F357 HydrophobicContact CD-CZ 3.86Å; K285-F357 HydrophobicContact CG-CE1 4.29Å; K285-F357 HydrophobicContact CG-CE2 4.17Å; K285-F357 HydrophobicContact CG-CZ 3.95Å
286	G	90	Very high	83.7	Confident	18 Å²	18	56.3 Å²	56.3	19%	0.186	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-34.4	174	0	0	0	0	0	112.7	D283 F289 K290	D283-G286 PolarHBondContact O-N 2.9Å; D283-G286 WeakPolarHBondContact OD1-CA 3.49Å; D283-G286 PolarHBondContact OD1-N 2.86Å; D283-G286 WeakPolarHBondContact OD2-CA 3.25Å; G286-F289 PolarHBondContact O-N 2.96Å; G286-K290 WeakPolarHBondContact O-CB 3.36Å; G286-K290 PolarHBondContact O-N 2.88Å
287	T	88.2	Confident	85.4	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-60.5	-48.2	172.2	-57.3	0	0	0	0	111.2	L278 D283 I284 K285 K290 I291 L361	L278-T287 WeakPolarHBondContact CB-OG1 3.29Å; D283-T287 WeakPolarHBondContact O-CB 3.41Å; D283-T287 PolarHBondContact O-N 2.7Å; D283-T287 PolarHBondContact O-OG1 2.76Å; I284-T287 WeakPolarHBondContact O-CB 3.26Å; I284-T287 PolarHBondContact O-N 2.83Å; K285-T287 VanDerWaalsContact C-N 3.31Å; K285-T287 PolarHBondContact O-N 3.32Å; T287-K290 PolarHBondContact O-N 2.9Å; T287-I291 HydrophobicContact CG2-CD1 4.06Å; T287-I291 WeakPolarHBondContact O-CG1 3.14Å; T287-I291 PolarHBondContact O-N 3.25Å; T287-L361 HydrophobicContact CG2-CD1 4.01Å; T287-L361 HydrophobicContact CG2-CD2 3.89Å
288	L	91.6	Very high	87	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-43	175.3	-78.6	169.1	0	0	0	112.3	I284 K285 K290 I291 C292 F357 L361 V364 L392	I284-L288 PolarHBondContact O-N 2.88Å; K285-L288 PolarHBondContact O-N 2.99Å; L288-K290 VanDerWaalsContact C-N 3.32Å; L288-K290 PolarHBondContact O-N 2.98Å; L288-I291 PolarHBondContact O-N 2.95Å; L288-I291 VanDerWaalsContact O-N 3.15Å; L288-C292 WeakPolarHBondContact O-CB 3.19Å; L288-C292 PolarHBondContact O-N 3.43Å; L288-C292 PolarHBondContact O-SG 3.06Å; L288-F357 HydrophobicContact CD1-CB 4.03Å; L288-F357 HydrophobicContact CD1-CD1 3.64Å; L288-F357 HydrophobicContact CD1-CG 4.29Å; L288-L361 HydrophobicContact CD1-CB 4.37Å; L288-L361 HydrophobicContact CD2-CB 4.14Å; L288-L361 HydrophobicContact CD2-CD1 3.77Å; L288-L361 HydrophobicContact CG-CB 4.17Å; L288-L361 HydrophobicContact CG-CD1 4.03Å; L288-V364 HydrophobicContact CD2-CB 4.49Å; L288-V364 HydrophobicContact CD2-CG1 4.49Å; L288-V364 HydrophobicContact CD2-CG2 4.24Å; L288-L392 HydrophobicContact CB-CD1 3.91Å
289	F	93.2	Very high	88.6	Confident	25 Å²	25	57 Å²	57	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-42.8	175.1	-91	-57.3	0	0	0	112.7	K285 G286 C292 E293 Q294 Y297 L392	K285-F289 HydrophobicContact CG-CD2 4.04Å; K285-F289 HydrophobicContact CG-CE2 4.04Å; K285-F289 WeakPolarHBondContact O-CD2 3.4Å; K285-F289 PolarHBondContact O-N 2.98Å; G286-F289 PolarHBondContact O-N 2.96Å; F289-C292 PolarHBondContact O-N 2.92Å; F289-E293 PolarHBondContact O-N 3.41Å; F289-E293 VanDerWaalsContact O-N 3.16Å; F289-Q294 WeakPolarHBondContact CB-O 3.44Å; F289-Q294 HydrophobicContact CD1-CB 3.78Å; F289-Q294 WeakPolarHBondContact CD1-O 3.21Å; F289-Q294 HydrophobicContact CE1-CB 4.25Å; F289-Q294 PolarHBondContact O-N 3.11Å; F289-Y297 HydrophobicContact CE2-CE1 4.5Å; F289-Y297 HydrophobicContact CE2-CE2 4.25Å; F289-Y297 HydrophobicContact CZ-CD1 4.06Å; F289-Y297 AromaticContact CZ-CD2 3.9Å; F289-Y297 HydrophobicContact CZ-CD2 3.9Å; F289-Y297 AromaticContact CZ-CE1 3.88Å; F289-Y297 HydrophobicContact CZ-CE1 3.88Å; F289-Y297 AromaticContact CZ-CE2 3.74Å; F289-Y297 HydrophobicContact CZ-CE2 3.74Å; F289-Y297 HydrophobicContact CZ-CG 4.06Å; F289-Y297 AromaticContact CZ-CZ 3.73Å; F289-L392 HydrophobicContact CB-CD1 4.33Å; F289-L392 HydrophobicContact CD1-CB 4.49Å; F289-L392 HydrophobicContact CD1-CD1 3.49Å; F289-L392 VanDerWaalsContact CD1-CD1 3.49Å; F289-L392 HydrophobicContact CD2-CD1 3.91Å; F289-L392 HydrophobicContact CE1-CB 4.01Å; F289-L392 HydrophobicContact CE1-CD1 3.59Å; F289-L392 HydrophobicContact CE1-CG 4.48Å; F289-L392 HydrophobicContact CE2-CD1 4.03Å; F289-L392 HydrophobicContact CG-CD1 3.64Å; F289-L392 HydrophobicContact CZ-CD1 3.88Å
290	K	88.2	Confident	90.1	Very high	73 Å²	73	56.4 Å²	56.4	32%	0.317	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-36.2	174.6	-174.3	-175.6	167.5	176.8	0	112.8	S274 Y275 L278 G286 T287 L288 E293	S274-K290 VanDerWaalsContact C-NZ 3.26Å; S274-K290 VanDerWaalsContact CB-NZ 3.31Å; S274-K290 PolarHBondContact O-NZ 3.01Å; S274-K290 PolarHBondContact OG-NZ 3.47Å; Y275-K290 HydrophobicContact CD1-CD 3.93Å; Y275-K290 HydrophobicContact CD1-CG 4.26Å; Y275-K290 HydrophobicContact CE1-CB 4.2Å; Y275-K290 HydrophobicContact CE1-CD 3.78Å; Y275-K290 HydrophobicContact CE1-CG 3.65Å; L278-K290 HydrophobicContact CD1-CB 4.42Å; L278-K290 HydrophobicContact CD1-CD 3.52Å; G286-K290 WeakPolarHBondContact O-CB 3.36Å; G286-K290 PolarHBondContact O-N 2.88Å; T287-K290 PolarHBondContact O-N 2.9Å; L288-K290 VanDerWaalsContact C-N 3.32Å; L288-K290 PolarHBondContact O-N 2.98Å; K290-E293 PolarHBondContact O-N 2.79Å
291	I	88	Confident	91.5	Very high	14 Å²	14	53.1 Å²	53.1	7%	0.072	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-36.1	174.4	-67.3	166	0	0	0	111.1	I270 Y275 T287 L288 E293 L361 V364 V390	I270-I291 HydrophobicContact CD1-CD1 4.22Å; Y275-I291 HydrophobicContact CD1-CD1 4.36Å; Y275-I291 HydrophobicContact CD1-CG1 3.67Å; Y275-I291 HydrophobicContact CE1-CB 4.35Å; Y275-I291 HydrophobicContact CE1-CG1 3.42Å; Y275-I291 VanDerWaalsContact CE1-CG1 3.42Å; T287-I291 HydrophobicContact CG2-CD1 4.06Å; T287-I291 WeakPolarHBondContact O-CG1 3.14Å; T287-I291 PolarHBondContact O-N 3.25Å; L288-I291 PolarHBondContact O-N 2.95Å; L288-I291 VanDerWaalsContact O-N 3.15Å; I291-E293 VanDerWaalsContact C-N 3.25Å; I291-E293 PolarHBondContact O-N 3.01Å; I291-L361 HydrophobicContact CD1-CD1 3.5Å; I291-L361 VanDerWaalsContact CD1-CD1 3.5Å; I291-V364 HydrophobicContact CD1-CG1 4.03Å; I291-V364 HydrophobicContact CG2-CG1 3.78Å; I291-V390 HydrophobicContact CG2-CB 4.44Å; I291-V390 HydrophobicContact CG2-CG2 4.22Å
292	C	91.8	Very high	92.5	Very high	10 Å²	10	54.7 Å²	54.7	7%	0.068	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.2	178.5	-63.1	0	0	0	0	114.3	L288 F289 Q294 V390	L288-C292 WeakPolarHBondContact O-CB 3.19Å; L288-C292 PolarHBondContact O-N 3.43Å; L288-C292 PolarHBondContact O-SG 3.06Å; F289-C292 PolarHBondContact O-N 2.92Å; C292-Q294 HydrophobicContact CB-CB 3.99Å; C292-Q294 HydrophobicContact CB-CG 4.06Å; C292-Q294 PolarHBondContact O-N 3.24Å; C292-V390 VanDerWaalsContact SG-CG1 3.58Å
293	E	91.4	Very high	93.4	Very high	177 Å²	177	52.4 Å²	52.4	83%	0.827	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.8	-168.8	-60.8	178.4	-174.7	0	0	112	F289 K290 I291	F289-E293 PolarHBondContact O-N 3.41Å; F289-E293 VanDerWaalsContact O-N 3.16Å; K290-E293 PolarHBondContact O-N 2.79Å; I291-E293 VanDerWaalsContact C-N 3.25Å; I291-E293 PolarHBondContact O-N 3.01Å
294	Q	95.6	Very high	94	Very high	20 Å²	20	48.8 Å²	48.8	9%	0.093	26%	0.261	C	S	.	.			trans	-124	137.6	-174.6	-83.2	176.4	-130.5	0	0	111.5	F289 C292 D296 K298 L392	F289-Q294 WeakPolarHBondContact CB-O 3.44Å; F289-Q294 HydrophobicContact CD1-CB 3.78Å; F289-Q294 WeakPolarHBondContact CD1-O 3.21Å; F289-Q294 HydrophobicContact CE1-CB 4.25Å; F289-Q294 PolarHBondContact O-N 3.11Å; C292-Q294 HydrophobicContact CB-CB 3.99Å; C292-Q294 HydrophobicContact CB-CG 4.06Å; C292-Q294 PolarHBondContact O-N 3.24Å; Q294-D296 PolarHBondContact NE2-O 3.34Å; Q294-K298 HydrophobicContact CG-CD 4.43Å; Q294-L392 PolarHBondContact NE2-O 2.97Å
295	S	93.5	Very high	94.3	Very high	126 Å²	126	49.2 Å²	49.2	88%	0.881	26%	0.263	S	S	*	.	S	Bend	trans	-91.2	-18.1	168.7	52.8	0	0	0	0	113.6
296	D	97.6	Very high	94.6	Very high	104 Å²	104	49.6 Å²	49.6	56%	0.556	28%	0.275	S	S	*	.	S	Bend	trans	-153.8	168.4	179.5	-162.2	5.3	0	0	0	110.7	Q294	Q294-D296 PolarHBondContact NE2-O 3.34Å
297	Y	98.4	Very high	94.8	Very high	34 Å²	34	51.6 Å²	51.6	13%	0.133	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-64.1	134	178	-62.7	-83.1	0	0	0	111.4	K285 F289 L392 Q394 L427	K285-Y297 WeakPolarHBondContact CE-OH 3.36Å; K285-Y297 PolarHBondContact NZ-OH 2.94Å; F289-Y297 HydrophobicContact CE2-CE1 4.5Å; F289-Y297 HydrophobicContact CE2-CE2 4.25Å; F289-Y297 HydrophobicContact CZ-CD1 4.06Å; F289-Y297 AromaticContact CZ-CD2 3.9Å; F289-Y297 HydrophobicContact CZ-CD2 3.9Å; F289-Y297 AromaticContact CZ-CE1 3.88Å; F289-Y297 HydrophobicContact CZ-CE1 3.88Å; F289-Y297 AromaticContact CZ-CE2 3.74Å; F289-Y297 HydrophobicContact CZ-CE2 3.74Å; F289-Y297 HydrophobicContact CZ-CG 4.06Å; F289-Y297 AromaticContact CZ-CZ 3.73Å; Y297-L392 HydrophobicContact CD1-CB 3.92Å; Y297-L392 HydrophobicContact CE1-CB 4.2Å; Y297-L392 HydrophobicContact CE1-CD2 4.3Å; Y297-Q394 HydrophobicContact CD1-CB 4.4Å; Y297-Q394 HydrophobicContact CG-CB 4.02Å; Y297-L427 HydrophobicContact CD1-CD2 3.99Å; Y297-L427 HydrophobicContact CD2-CD2 4.5Å; Y297-L427 HydrophobicContact CE1-CD1 4.13Å; Y297-L427 HydrophobicContact CE1-CD2 3.66Å; Y297-L427 HydrophobicContact CE1-CG 4.36Å; Y297-L427 HydrophobicContact CE2-CD2 4.2Å; Y297-L427 HydrophobicContact CG-CD2 4.41Å; Y297-L427 WeakPolarHBondContact OH-CD1 3.37Å
298	K	98.3	Very high	95.2	Very high	58 Å²	58	51.6 Å²	51.6	25%	0.252	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-75.3	156.1	168	-77.2	168.8	-176.1	150	0	110	Q294 Q302 H391 L392 I393 Q394	Q294-K298 HydrophobicContact CG-CD 4.43Å; K298-Q302 HydrophobicContact CB-CB 4.43Å; K298-H391 PolarHBondContact NZ-ND1 3.43Å; K298-L392 PolarHBondContact N-O 3.03Å; K298-I393 HydrophobicContact CB-CG1 4.19Å; K298-I393 CarbonylContact O-C 3.52Å; K298-I393 WeakPolarHBondContact O-CA 3.24Å; K298-I393 WeakPolarHBondContact O-CG2 3.14Å; K298-Q394 PolarHBondContact O-N 3.34Å
299	T	98.3	Very high	95.5	Very high	72 Å²	72	56.1 Å²	56.1	44%	0.442	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-84.6	155.3	162.6	62.9	0	0	0	0	110.1	G301 Q302 L303	T299-G301 PolarHBondContact O-N 3.19Å; T299-G301 VanDerWaalsContact O-N 3.09Å; T299-Q302 PolarHBondContact O-N 3.37Å; T299-Q302 PolarHBondContact OG1-N 2.76Å; T299-Q302 PolarHBondContact OG1-OE1 3.24Å; T299-L303 PolarHBondContact O-N 3.28Å
300	F	98.5	Very high	95.5	Very high	10 Å²	10	63.2 Å²	63.2	4%	0.044	33%	0.334	C	S	.	.	H	α-helix	trans	-53.7	-28.8	168.3	-80.1	-71	0	0	0	113.3	Q302 F304 L340 I393 P398 Y400 L401 W428	F300-Q302 VanDerWaalsContact C-N 3.33Å; F300-F304 HydrophobicContact CD1-CD2 4.12Å; F300-F304 HydrophobicContact CD1-CE2 4.03Å; F300-F304 HydrophobicContact CE1-CE2 4.5Å; F300-F304 WeakPolarHBondContact O-CB 3.48Å; F300-F304 PolarHBondContact O-N 2.92Å; F300-L340 HydrophobicContact CE1-CD1 3.86Å; F300-L340 HydrophobicContact CE1-CD2 4.16Å; F300-I393 HydrophobicContact CD1-CG2 4.2Å; F300-I393 HydrophobicContact CD2-CG2 4.02Å; F300-I393 HydrophobicContact CE1-CG2 4.24Å; F300-I393 HydrophobicContact CE2-CG2 4.07Å; F300-I393 HydrophobicContact CG-CG2 4.08Å; F300-I393 HydrophobicContact CZ-CG2 4.18Å; F300-P398 HydrophobicContact CB-CG 3.93Å; F300-P398 HydrophobicContact CD1-CG 4.36Å; F300-P398 HydrophobicContact CD2-CG 4.34Å; F300-P398 HydrophobicContact CG-CG 3.98Å; F300-Y400 VanDerWaalsContact C-OH 3.24Å; F300-Y400 PolarHBondContact O-OH 3.04Å; F300-L401 HydrophobicContact CD1-CD1 3.75Å; F300-L401 HydrophobicContact CE1-CD1 3.81Å; F300-W428 AromaticContact CE2-CD1 3.83Å; F300-W428 AromaticContact CE2-CE2 4Å; F300-W428 HydrophobicContact CE2-CG 4.41Å; F300-W428 AromaticContact CE2-NE1 3.54Å; F300-W428 AromaticContact CZ-CD1 3.74Å; F300-W428 AromaticContact CZ-CD2 3.8Å; F300-W428 HydrophobicContact CZ-CD2 3.8Å; F300-W428 AromaticContact CZ-CE2 3.64Å; F300-W428 HydrophobicContact CZ-CE3 4.47Å; F300-W428 AromaticContact CZ-CG 3.86Å; F300-W428 HydrophobicContact CZ-CG 3.86Å; F300-W428 HydrophobicContact CZ-CZ2 4.2Å; F300-W428 AromaticContact CZ-NE1 3.59Å
301	G	97.7	Very high	95.8	Very high	31 Å²	31	63.4 Å²	63.4	32%	0.32	34%	0.338	S	S	.	.	H	α-helix	trans	-69.6	-28.5	178.6	0	0	0	0	0	113.8	T299 R309	T299-G301 PolarHBondContact O-N 3.19Å; T299-G301 VanDerWaalsContact O-N 3.09Å; G301-R309 PolarHBondContact O-NH2 2.94Å; G301-R309 VanDerWaalsContact O-NH2 3.11Å
302	Q	97.6	Very high	96.3	Very high	113 Å²	113	64 Å²	64	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-80.3	-35.7	175.1	-74.3	159.8	-60.3	0	0	112.5	K298 T299 F300 I305	K298-Q302 HydrophobicContact CB-CB 4.43Å; T299-Q302 PolarHBondContact O-N 3.37Å; T299-Q302 PolarHBondContact OG1-N 2.76Å; T299-Q302 PolarHBondContact OG1-OE1 3.24Å; F300-Q302 VanDerWaalsContact C-N 3.33Å; Q302-I305 WeakPolarHBondContact O-CG2 3.39Å
303	L	97.7	Very high	96.6	Very high	4 Å²	4	64.7 Å²	64.7	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-75.2	-49.7	175	176.6	59.7	0	0	0	112.1	T299 I305 R308 I338 H391 I393 A430	T299-L303 PolarHBondContact O-N 3.28Å; L303-I305 PolarHBondContact O-N 2.59Å; L303-R308 VanDerWaalsContact CD1-NH1 3.33Å; L303-R308 VanDerWaalsContact O-CD 3.29Å; L303-R308 WeakPolarHBondContact O-CD 3.46Å; L303-R308 PolarHBondContact O-NH1 2.93Å; L303-I338 HydrophobicContact CD1-CD1 4.34Å; L303-I338 HydrophobicContact CD2-CD1 4.27Å; L303-I338 HydrophobicContact CD2-CG2 4.13Å; L303-I338 HydrophobicContact CG-CD1 4.32Å; L303-H391 WeakPolarHBondContact CD1-CD2 3.45Å; L303-I393 HydrophobicContact CB-CD1 4.04Å; L303-I393 HydrophobicContact CD2-CD1 3.45Å; L303-I393 VanDerWaalsContact CD2-CD1 3.45Å; L303-I393 HydrophobicContact CG-CD1 4.35Å; L303-A430 HydrophobicContact CD2-CB 3.58Å
304	F	97.9	Very high	96.9	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-93.8	78	178.4	-64.4	-87.2	0	0	0	108.3	F300 R309 L312 I338 L340 Y400 L401	F300-F304 HydrophobicContact CD1-CD2 4.12Å; F300-F304 HydrophobicContact CD1-CE2 4.03Å; F300-F304 HydrophobicContact CE1-CE2 4.5Å; F300-F304 WeakPolarHBondContact O-CB 3.48Å; F300-F304 PolarHBondContact O-N 2.92Å; F304-R309 HydrophobicContact CB-CG 4.22Å; F304-R309 PolarHBondContact O-NE 2.86Å; F304-R309 PolarHBondContact O-NH2 3.18Å; F304-L312 HydrophobicContact CD1-CD1 3.9Å; F304-L312 HydrophobicContact CD1-CD2 4.37Å; F304-L312 HydrophobicContact CE1-CD1 3.65Å; F304-I338 HydrophobicContact CE1-CD1 3.81Å; F304-I338 HydrophobicContact CZ-CB 4.37Å; F304-I338 HydrophobicContact CZ-CD1 3.95Å; F304-I338 HydrophobicContact CZ-CG2 3.99Å; F304-L340 HydrophobicContact CE2-CD1 4.27Å; F304-L340 HydrophobicContact CE2-CD2 4.39Å; F304-L340 HydrophobicContact CZ-CD1 4.26Å; F304-Y400 HydrophobicContact CB-CE2 3.64Å; F304-Y400 HydrophobicContact CD2-CE2 4.29Å; F304-Y400 AromaticContact CG-CE2 3.98Å; F304-Y400 HydrophobicContact CG-CE2 3.98Å; F304-L401 HydrophobicContact CD2-CD1 4.19Å; F304-L401 HydrophobicContact CE1-CD2 4.06Å; F304-L401 HydrophobicContact CE2-CD1 3.82Å; F304-L401 HydrophobicContact CE2-CD2 4.3Å; F304-L401 HydrophobicContact CZ-CD1 4.22Å; F304-L401 HydrophobicContact CZ-CD2 3.9Å
305	I	96.6	Very high	96.9	Very high	54 Å²	54	58.2 Å²	58.2	28%	0.277	32%	0.317	S	S	.	.			trans	-63.4	164.1	172.6	60.4	167.1	0	0	0	111.6	Q302 L303 S307 R308 R309 E329	Q302-I305 WeakPolarHBondContact O-CG2 3.39Å; L303-I305 PolarHBondContact O-N 2.59Å; I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 VanDerWaalsContact CD1-OG 3.25Å; I305-S307 WeakPolarHBondContact CD1-OG 3.17Å; I305-S307 WeakPolarHBondContact CG1-OG 3.31Å; I305-S307 PolarHBondContact O-N 2.99Å; I305-R308 HydrophobicContact CG1-CB 4.24Å; I305-R308 HydrophobicContact CG1-CG 4.02Å; I305-R308 WeakPolarHBondContact O-CA 3.49Å; I305-R308 WeakPolarHBondContact O-CB 3.37Å; I305-R308 PolarHBondContact O-N 2.88Å; I305-R309 PolarHBondContact O-N 3.39Å; I305-E329 HydrophobicContact CD1-CG 3.97Å
306	P	95.9	Very high	96.9	Very high	97 Å²	97	53.1 Å²	53.1	63%	0.63	28%	0.284	S	S	*	.	H	α-helix	trans	-55.7	-35.5	-173.7	-29.8	37.3	0	0	0	115.7	R309 K310	P306-R309 PolarHBondContact O-N 3.32Å; P306-K310 PolarHBondContact O-N 3Å
307	S	94.8	Very high	96.7	Very high	60 Å²	60	50 Å²	50	42%	0.42	27%	0.266	S	S	.	.	H	α-helix	trans	-63.2	-44.5	174.1	50.6	0	0	0	0	112	I305 R309 K310	I305-S307 VanDerWaalsContact C-N 3.3Å; I305-S307 VanDerWaalsContact CD1-OG 3.25Å; I305-S307 WeakPolarHBondContact CD1-OG 3.17Å; I305-S307 WeakPolarHBondContact CG1-OG 3.31Å; I305-S307 PolarHBondContact O-N 2.99Å; S307-R309 PolarHBondContact O-N 2.7Å; S307-K310 WeakPolarHBondContact O-CB 3.32Å; S307-K310 PolarHBondContact O-N 3.21Å
308	R	97.4	Very high	96.1	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-44.6	174.1	-77.4	-176	160.8	-177.9	-2.9	112.3	L303 I305 K310 L312 C326 P327 E329 E432	L303-R308 VanDerWaalsContact CD1-NH1 3.33Å; L303-R308 VanDerWaalsContact O-CD 3.29Å; L303-R308 WeakPolarHBondContact O-CD 3.46Å; L303-R308 PolarHBondContact O-NH1 2.93Å; I305-R308 HydrophobicContact CG1-CB 4.24Å; I305-R308 HydrophobicContact CG1-CG 4.02Å; I305-R308 WeakPolarHBondContact O-CA 3.49Å; I305-R308 WeakPolarHBondContact O-CB 3.37Å; I305-R308 PolarHBondContact O-N 2.88Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 2.84Å; R308-L312 PolarHBondContact O-N 3.31Å; R308-C326 HydrophobicContact CB-CB 4.04Å; R308-C326 HydrophobicContact CG-CB 4.21Å; R308-P327 WeakPolarHBondContact CG-O 3.27Å; R308-P327 PolarHBondContact NE-O 3.15Å; R308-E329 IonicContact CZ-OE1 2.76Å; R308-E329 IonicContact NE-OE1 3.72Å; R308-E329 IonicContact NH1-OE1 3.34Å; R308-E329 PolarHBondContact NH1-OE1 2.77Å; R308-E432 IonicContact CZ-OE1 3.35Å; R308-E432 IonicContact CZ-OE2 2.75Å; R308-E432 IonicContact NH1-OE2 3.45Å; R308-E432 PolarHBondContact NH1-OE2 3.07Å; R308-E432 IonicContact NH2-OE1 2.8Å; R308-E432 PolarHBondContact NH2-OE1 3.32Å; R308-E432 IonicContact NH2-OE2 3.06Å; R308-E432 PolarHBondContact NH2-OE2 3.37Å
309	R	96.9	Very high	95.5	Very high	95 Å²	95	47.7 Å²	47.7	36%	0.358	27%	0.265	S	S	.	.	H	α-helix	trans	-61.6	-30.9	179.2	-64	-179.9	-156.1	153.4	17.2	113.4	G301 F304 I305 P306 S307 N311 Y400	G301-R309 PolarHBondContact O-NH2 2.94Å; G301-R309 VanDerWaalsContact O-NH2 3.11Å; F304-R309 HydrophobicContact CB-CG 4.22Å; F304-R309 PolarHBondContact O-NE 2.86Å; F304-R309 PolarHBondContact O-NH2 3.18Å; I305-R309 PolarHBondContact O-N 3.39Å; P306-R309 PolarHBondContact O-N 3.32Å; S307-R309 PolarHBondContact O-N 2.7Å; R309-N311 PolarHBondContact O-N 3.11Å; R309-Y400 HydrophobicContact CG-CD2 4.1Å; R309-Y400 HydrophobicContact CG-CE2 4.21Å; R309-Y400 HydrophobicContact CG-CG 4.29Å
310	K	93.8	Very high	95.1	Very high	175 Å²	175	47.6 Å²	47.6	76%	0.761	26%	0.259	S	S	*	.	H	α-helix	trans	-62.8	-40.6	-175.4	-171.6	179.6	177.9	-177.8	0	112.9	P306 S307 R308	P306-K310 PolarHBondContact O-N 3Å; S307-K310 WeakPolarHBondContact O-CB 3.32Å; S307-K310 PolarHBondContact O-N 3.21Å; R308-K310 VanDerWaalsContact C-N 3.27Å; R308-K310 PolarHBondContact O-N 2.84Å
311	N	94.8	Very high	94.8	Very high	77 Å²	77	47.2 Å²	47.2	41%	0.412	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	36.4	-178.5	-63.2	-16.5	0	0	0	111.6	R309 P327 Y335	R309-N311 PolarHBondContact O-N 3.11Å; N311-P327 HydrophobicContact CB-CG 3.79Å; N311-Y335 HydrophobicContact CB-CE1 4.26Å
312	L	98.1	Very high	94.7	Very high	26 Å²	26	45.8 Å²	45.8	14%	0.136	24%	0.242	C	C	.	.			trans	-81	133.4	178.2	179.2	65.9	0	0	0	111.2	F304 R308 F324 R325 C326 Y400 L401 A404	F304-L312 HydrophobicContact CD1-CD1 3.9Å; F304-L312 HydrophobicContact CD1-CD2 4.37Å; F304-L312 HydrophobicContact CE1-CD1 3.65Å; R308-L312 PolarHBondContact O-N 3.31Å; L312-F324 HydrophobicContact CD1-CB 3.98Å; L312-F324 HydrophobicContact CD1-CD1 4.16Å; L312-F324 HydrophobicContact CD1-CG 4.34Å; L312-R325 WeakPolarHBondContact CA-O 3.25Å; L312-C326 HydrophobicContact CD1-CB 4.04Å; L312-Y400 HydrophobicContact CD2-CD2 3.73Å; L312-Y400 HydrophobicContact CD2-CE2 4.48Å; L312-L401 HydrophobicContact CD1-CD2 4.17Å; L312-L401 HydrophobicContact CD2-CD2 3.82Å; L312-L401 HydrophobicContact CD2-CG 4.34Å; L312-L401 HydrophobicContact CG-CD2 4.44Å; L312-A404 HydrophobicContact CG-CB 4.41Å
313	S	97.9	Very high	94.7	Very high	25 Å²	25	41.7 Å²	41.7	18%	0.175	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	140	169.3	62.9	0	0	0	0	112	F324 R325	S313-F324 CarbonylContact O-C 3.55Å; S313-F324 WeakPolarHBondContact O-CA 3.44Å; S313-R325 PolarHBondContact N-O 2.85Å; S313-R325 VanDerWaalsContact N-O 3.09Å; S313-R325 PolarHBondContact O-N 3.12Å; S313-R325 VanDerWaalsContact OG-CG 3.3Å; S313-R325 WeakPolarHBondContact OG-CG 3.26Å; S313-R325 PolarHBondContact OG-NE 3.02Å
314	K	97.9	Very high	94.8	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.5	163	-178.9	174.9	166.8	169.8	0	108.3	G316 E317 E322 V323 F324 W405 Y408 S414	K314-G316 WeakPolarHBondContact CE-O 3.48Å; K314-E317 WeakPolarHBondContact CE-OE2 3.28Å; K314-E317 IonicContact NZ-OE2 3.88Å; K314-E317 PolarHBondContact NZ-OE2 2.94Å; K314-E322 VanDerWaalsContact CD-OE2 3.27Å; K314-E322 WeakPolarHBondContact CD-OE2 3.46Å; K314-E322 WeakPolarHBondContact CE-OE2 3.18Å; K314-E322 IonicContact NZ-OE1 2.83Å; K314-E322 PolarHBondContact NZ-OE1 2.72Å; K314-E322 IonicContact NZ-OE2 2.85Å; K314-E322 PolarHBondContact NZ-OE2 3.09Å; K314-V323 CarbonylContact C-O 3.32Å; K314-V323 WeakPolarHBondContact CA-O 3.41Å; K314-F324 HydrophobicContact CB-CD1 3.94Å; K314-F324 HydrophobicContact CB-CE1 3.72Å; K314-F324 HydrophobicContact CB-CZ 4.43Å; K314-F324 HydrophobicContact CG-CE1 4.42Å; K314-W405 HydrophobicContact CD-CG 4.42Å; K314-Y408 HydrophobicContact CB-CD2 4.02Å; K314-Y408 HydrophobicContact CB-CG 4.15Å; K314-Y408 HydrophobicContact CD-CD1 3.81Å; K314-Y408 HydrophobicContact CD-CD2 4.01Å; K314-Y408 HydrophobicContact CD-CE1 4.38Å; K314-Y408 HydrophobicContact CD-CG 3.62Å; K314-Y408 VanDerWaalsContact CE-CD1 3.45Å; K314-Y408 HydrophobicContact CG-CD1 4.36Å; K314-Y408 HydrophobicContact CG-CD2 3.62Å; K314-Y408 HydrophobicContact CG-CE2 4.11Å; K314-Y408 HydrophobicContact CG-CG 3.76Å; K314-S414 PolarHBondContact NZ-OG 3.27Å
315	I	95.6	Very high	94.8	Very high	50 Å²	50	45.8 Å²	45.8	26%	0.256	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-24.3	-178.3	57.3	165.6	0	0	0	113	V323 R325 V337 K412 F435	I315-V323 HydrophobicContact CD1-CG1 4.05Å; I315-V323 HydrophobicContact CG1-CB 4.37Å; I315-V323 HydrophobicContact CG1-CG1 3.86Å; I315-V323 WeakPolarHBondContact CG1-O 3.29Å; I315-V323 PolarHBondContact N-O 3.08Å; I315-R325 HydrophobicContact CD1-CB 4.31Å; I315-R325 HydrophobicContact CG2-CB 4.01Å; I315-R325 HydrophobicContact CG2-CG 3.63Å; I315-V337 HydrophobicContact CD1-CG1 4.31Å; I315-V337 HydrophobicContact CD1-CG2 3.94Å; I315-K412 PolarHBondContact O-NZ 3.38Å; I315-F435 HydrophobicContact CD1-CE2 4.2Å
316	G	92.7	Very high	94.8	Very high	18 Å²	18	43.2 Å²	43.2	19%	0.186	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	-177.6	177.4	0	0	0	0	0	111.2	K314 V323	K314-G316 WeakPolarHBondContact CE-O 3.48Å; G316-V323 PolarHBondContact N-O 3.09Å; G316-V323 WeakPolarHBondContact O-CB 3.48Å; G316-V323 PolarHBondContact O-N 2.68Å
317	E	93.6	Very high	94.9	Very high	39 Å²	39	38.9 Å²	38.9	18%	0.182	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	162.8	-177.7	58.6	-163.5	-178.8	0	0	109.3	K314 S414 E415	K314-E317 WeakPolarHBondContact CE-OE2 3.28Å; K314-E317 IonicContact NZ-OE2 3.88Å; K314-E317 PolarHBondContact NZ-OE2 2.94Å; E317-S414 PolarHBondContact OE2-OG 3.08Å; E317-E415 PolarHBondContact OE1-N 3.11Å
318	G	86.7	Confident	94.9	Very high	21 Å²	21	36.2 Å²	36.2	22%	0.216	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	169.1	168.5	0	0	0	0	0	109.9	F320 G321 N416	G318-F320 PolarHBondContact O-N 2.9Å; G318-G321 PolarHBondContact N-O 3.41Å; G318-G321 PolarHBondContact O-N 3.18Å; G318-N416 PolarHBondContact O-ND2 3.41Å; G318-N416 VanDerWaalsContact O-ND2 3.1Å
319	C	84.9	Confident	94.6	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.149	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-35	-171.5	-168.2	0	0	0	0	113.7	N350	C319-N350 PolarHBondContact O-ND2 3.22Å
320	F	89.3	Confident	94.4	Very high	70 Å²	70	40.3 Å²	40.3	31%	0.307	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	8.5	-179.9	-55.3	-71.8	0	0	0	115.2	G318 P342 E352 K355	G318-F320 PolarHBondContact O-N 2.9Å; F320-P342 WeakPolarHBondContact O-CD 3.41Å; F320-E352 HydrophobicContact CE1-CB 4.27Å; F320-E352 HydrophobicContact CE1-CG 4.43Å; F320-K355 HydrophobicContact CB-CD 4.41Å; F320-K355 HydrophobicContact CB-CG 4.4Å; F320-K355 HydrophobicContact CD1-CG 4.06Å; F320-K355 HydrophobicContact CG-CD 4.42Å; F320-K355 HydrophobicContact CG-CG 4.21Å
321	G	91.9	Very high	94.2	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	178.6	-175.6	0	0	0	0	0	118.5	G318 L340 N416	G318-G321 PolarHBondContact N-O 3.41Å; G318-G321 PolarHBondContact O-N 3.18Å; G321-L340 CarbonylContact C-O 3.57Å; G321-L340 WeakPolarHBondContact CA-O 3.17Å; G321-N416 PolarHBondContact O-ND2 2.8Å
322	E	96.9	Very high	94	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.3	-167.3	-66.9	-68.2	139.7	0	0	110.8	K314 F324 L340 N416 P419	K314-E322 VanDerWaalsContact CD-OE2 3.27Å; K314-E322 WeakPolarHBondContact CD-OE2 3.46Å; K314-E322 WeakPolarHBondContact CE-OE2 3.18Å; K314-E322 IonicContact NZ-OE1 2.83Å; K314-E322 PolarHBondContact NZ-OE1 2.72Å; K314-E322 IonicContact NZ-OE2 2.85Å; K314-E322 PolarHBondContact NZ-OE2 3.09Å; E322-F324 HydrophobicContact CB-CD2 4.42Å; E322-F324 HydrophobicContact CB-CE2 3.51Å; E322-F324 HydrophobicContact CB-CZ 4.07Å; E322-L340 PolarHBondContact N-O 2.77Å; E322-L340 PolarHBondContact O-N 2.64Å; E322-N416 WeakPolarHBondContact OE1-CB 3.42Å; E322-N416 PolarHBondContact OE1-ND2 3.33Å; E322-P419 HydrophobicContact CG-CG 3.77Å
323	V	97.8	Very high	93.6	Very high	28 Å²	28	39.5 Å²	39.5	17%	0.17	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.6	-172.2	-169.8	0	0	0	0	111.1	K314 I315 G316 V337 K339	K314-V323 CarbonylContact C-O 3.32Å; K314-V323 WeakPolarHBondContact CA-O 3.41Å; I315-V323 HydrophobicContact CD1-CG1 4.05Å; I315-V323 HydrophobicContact CG1-CB 4.37Å; I315-V323 HydrophobicContact CG1-CG1 3.86Å; I315-V323 WeakPolarHBondContact CG1-O 3.29Å; I315-V323 PolarHBondContact N-O 3.08Å; G316-V323 PolarHBondContact N-O 3.09Å; G316-V323 WeakPolarHBondContact O-CB 3.48Å; G316-V323 PolarHBondContact O-N 2.68Å; V323-V337 HydrophobicContact CG1-CG1 3.37Å; V323-K339 HydrophobicContact CG2-CG 4.32Å
324	F	98.4	Very high	93.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.8	179.5	-61	-89.9	0	0	0	111.4	L312 S313 K314 E322 V337 I338 L340 F397 L401 A404	L312-F324 HydrophobicContact CD1-CB 3.98Å; L312-F324 HydrophobicContact CD1-CD1 4.16Å; L312-F324 HydrophobicContact CD1-CG 4.34Å; S313-F324 CarbonylContact O-C 3.55Å; S313-F324 WeakPolarHBondContact O-CA 3.44Å; K314-F324 HydrophobicContact CB-CD1 3.94Å; K314-F324 HydrophobicContact CB-CE1 3.72Å; K314-F324 HydrophobicContact CB-CZ 4.43Å; K314-F324 HydrophobicContact CG-CE1 4.42Å; E322-F324 HydrophobicContact CB-CD2 4.42Å; E322-F324 HydrophobicContact CB-CE2 3.51Å; E322-F324 HydrophobicContact CB-CZ 4.07Å; F324-V337 CarbonylContact O-C 3.58Å; F324-V337 VanDerWaalsContact O-CA 3.32Å; F324-V337 WeakPolarHBondContact O-CA 3.19Å; F324-I338 PolarHBondContact N-O 3.4Å; F324-I338 PolarHBondContact O-N 2.68Å; F324-L340 HydrophobicContact CD2-CD1 3.93Å; F324-L340 HydrophobicContact CD2-CG 4.27Å; F324-L340 HydrophobicContact CE2-CD1 3.75Å; F324-L340 HydrophobicContact CE2-CG 4.37Å; F324-F397 HydrophobicContact CZ-CE2 4.39Å; F324-F397 AromaticContact CZ-CZ 3.95Å; F324-F397 HydrophobicContact CZ-CZ 3.95Å; F324-L401 HydrophobicContact CD1-CD2 3.58Å; F324-L401 HydrophobicContact CD2-CD2 3.91Å; F324-L401 HydrophobicContact CE1-CD2 3.54Å; F324-L401 HydrophobicContact CE2-CD2 3.87Å; F324-L401 HydrophobicContact CG-CD2 3.79Å; F324-L401 HydrophobicContact CZ-CB 4.44Å; F324-L401 HydrophobicContact CZ-CD2 3.72Å; F324-A404 HydrophobicContact CD1-CB 4.24Å; F324-A404 HydrophobicContact CE1-CB 3.97Å
325	R	97.8	Very high	93.3	Very high	89 Å²	89	46 Å²	46	34%	0.336	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.5	157.4	72.3	177.4	176.5	162.8	-0	110.7	L312 S313 I315 Y335 V336 F435	L312-R325 WeakPolarHBondContact CA-O 3.25Å; S313-R325 PolarHBondContact N-O 2.85Å; S313-R325 VanDerWaalsContact N-O 3.09Å; S313-R325 PolarHBondContact O-N 3.12Å; S313-R325 VanDerWaalsContact OG-CG 3.3Å; S313-R325 WeakPolarHBondContact OG-CG 3.26Å; S313-R325 PolarHBondContact OG-NE 3.02Å; I315-R325 HydrophobicContact CD1-CB 4.31Å; I315-R325 HydrophobicContact CG2-CB 4.01Å; I315-R325 HydrophobicContact CG2-CG 3.63Å; R325-Y335 HydrophobicContact CB-CD1 4.34Å; R325-Y335 HydrophobicContact CG-CD1 4.2Å; R325-V336 VanDerWaalsContact CA-O 3.27Å; R325-V336 WeakPolarHBondContact CA-O 3.49Å; R325-F435 HydrophobicContact CB-CD2 4.45Å
326	C	97.9	Very high	93.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.7	167	64.1	0	0	0	0	110.1	R308 L312 Y335 V336 I338	R308-C326 HydrophobicContact CB-CB 4.04Å; R308-C326 HydrophobicContact CG-CB 4.21Å; L312-C326 HydrophobicContact CD1-CB 4.04Å; C326-Y335 WeakPolarHBondContact O-CA 3.04Å; C326-V336 PolarHBondContact N-O 2.7Å; C326-V336 VanDerWaalsContact N-O 3.09Å; C326-V336 PolarHBondContact O-N 2.91Å; C326-I338 VanDerWaalsContact SG-CD1 3.6Å
327	P	97.2	Very high	93.7	Very high	7 Å²	7	43.9 Å²	43.9	5%	0.045	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	143.3	174.4	-30	34.8	0	0	0	113.9	R308 N311 E334 Y335	R308-P327 WeakPolarHBondContact CG-O 3.27Å; R308-P327 PolarHBondContact NE-O 3.15Å; N311-P327 HydrophobicContact CB-CG 3.79Å; P327-E334 WeakPolarHBondContact CA-O 3.47Å; P327-Y335 HydrophobicContact CG-CE1 4.43Å
328	D	95.4	Very high	93.9	Very high	4 Å²	4	42 Å²	42	2%	0.021	23%	0.231	C	C	.	.			trans	-64.8	146.1	168.8	-165.5	-65.1	0	0	0	110.3	S330 N331 E334 V336 K388	D328-S330 WeakPolarHBondContact OD1-CA 3.45Å; D328-S330 WeakPolarHBondContact OD1-CB 3.22Å; D328-S330 PolarHBondContact OD1-N 2.92Å; D328-S330 PolarHBondContact OD1-OG 3.49Å; D328-N331 WeakPolarHBondContact CB-O 3.14Å; D328-N331 PolarHBondContact OD1-N 2.83Å; D328-E334 HydrophobicContact CB-CB 4.37Å; D328-E334 PolarHBondContact N-O 3Å; D328-V336 HydrophobicContact CB-CG1 3.98Å; D328-V336 WeakPolarHBondContact OD2-CG1 3.42Å; D328-K388 IonicContact OD2-NZ 3.76Å; D328-K388 PolarHBondContact OD2-NZ 2.79Å
329	E	91.9	Very high	94.5	Very high	74 Å²	74	42.6 Å²	42.6	35%	0.346	23%	0.227	S	C	.	.	S	Bend	trans	-73.7	-36.1	177.9	-78.5	168.6	172.2	0	0	112.2	I305 R308 K389	I305-E329 HydrophobicContact CD1-CG 3.97Å; R308-E329 IonicContact CZ-OE1 2.76Å; R308-E329 IonicContact NE-OE1 3.72Å; R308-E329 IonicContact NH1-OE1 3.34Å; R308-E329 PolarHBondContact NH1-OE1 2.77Å; E329-K389 IonicContact OE2-NZ 3.51Å; E329-K389 PolarHBondContact OE2-NZ 3.09Å
330	S	91	Very high	95.1	Very high	108 Å²	108	41.5 Å²	41.5	76%	0.755	22%	0.22	S	C	*	.	S	Bend	trans	-85.9	-32.6	-177.9	67.8	0	0	0	0	112.4	D328	D328-S330 WeakPolarHBondContact OD1-CA 3.45Å; D328-S330 WeakPolarHBondContact OD1-CB 3.22Å; D328-S330 PolarHBondContact OD1-N 2.92Å; D328-S330 PolarHBondContact OD1-OG 3.49Å
331	N	91.3	Very high	95.5	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	21%	0.206	S	C	.	.			trans	-133.4	89	174.8	-170.4	9.5	0	0	0	112.8	D328 T333 E334	D328-N331 WeakPolarHBondContact CB-O 3.14Å; D328-N331 PolarHBondContact OD1-N 2.83Å; N331-T333 PolarHBondContact ND2-OG1 2.94Å; N331-T333 PolarHBondContact O-N 2.95Å; N331-T333 PolarHBondContact OD1-N 3.23Å; N331-T333 PolarHBondContact OD1-OG1 2.85Å; N331-E334 HydrophobicContact CB-CB 4.49Å; N331-E334 PolarHBondContact ND2-OE1 3.41Å; N331-E334 PolarHBondContact O-N 3.37Å
332	P	89.5	Confident	95.8	Very high	90 Å²	90	38.3 Å²	38.3	58%	0.584	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-6.2	-176.8	-26.2	36.1	0	0	0	116.8
333	T	90.1	Very high	95.8	Very high	117 Å²	117	38.2 Å²	38.2	72%	0.718	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.4	170.4	64.1	0	0	0	0	113.2	N331	N331-T333 PolarHBondContact ND2-OG1 2.94Å; N331-T333 PolarHBondContact O-N 2.95Å; N331-T333 PolarHBondContact OD1-N 3.23Å; N331-T333 PolarHBondContact OD1-OG1 2.85Å
334	E	93.5	Very high	95.7	Very high	97 Å²	97	41.3 Å²	41.3	45%	0.453	22%	0.218	S	C	.	.	S	Bend	trans	-97.8	164.4	176.3	-73.9	173.9	-141.1	0	0	111.8	P327 D328 N331	P327-E334 WeakPolarHBondContact CA-O 3.47Å; D328-E334 HydrophobicContact CB-CB 4.37Å; D328-E334 PolarHBondContact N-O 3Å; N331-E334 HydrophobicContact CB-CB 4.49Å; N331-E334 PolarHBondContact ND2-OE1 3.41Å; N331-E334 PolarHBondContact O-N 3.37Å
335	Y	96.4	Very high	95.6	Very high	76 Å²	76	42.3 Å²	42.3	30%	0.298	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.2	174.6	-72.3	-92.2	0	0	0	110.6	N311 R325 C326 P327 F435	N311-Y335 HydrophobicContact CB-CE1 4.26Å; R325-Y335 HydrophobicContact CB-CD1 4.34Å; R325-Y335 HydrophobicContact CG-CD1 4.2Å; C326-Y335 WeakPolarHBondContact O-CA 3.04Å; P327-Y335 HydrophobicContact CG-CE1 4.43Å; Y335-F435 WeakPolarHBondContact O-CB 3.45Å
336	V	97.7	Very high	95.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	154.8	162.7	-66.8	0	0	0	0	110.2	R325 C326 D328 I338 K388 E432 S433	R325-V336 VanDerWaalsContact CA-O 3.27Å; R325-V336 WeakPolarHBondContact CA-O 3.49Å; C326-V336 PolarHBondContact N-O 2.7Å; C326-V336 VanDerWaalsContact N-O 3.09Å; C326-V336 PolarHBondContact O-N 2.91Å; D328-V336 HydrophobicContact CB-CG1 3.98Å; D328-V336 WeakPolarHBondContact OD2-CG1 3.42Å; V336-I338 HydrophobicContact CG2-CG1 4.36Å; V336-K388 HydrophobicContact CG1-CD 4Å; V336-E432 HydrophobicContact CB-CG 4.04Å; V336-E432 HydrophobicContact CG1-CG 4.28Å; V336-E432 HydrophobicContact CG2-CG 4.11Å; V336-S433 WeakPolarHBondContact CA-O 3.25Å; V336-S433 WeakPolarHBondContact CB-O 3.44Å
337	V	98.2	Very high	95.2	Very high	23 Å²	23	49 Å²	49	14%	0.139	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.9	167.9	177	0	0	0	0	108.5	I315 V323 F324 E432 S433 F435	I315-V337 HydrophobicContact CD1-CG1 4.31Å; I315-V337 HydrophobicContact CD1-CG2 3.94Å; V323-V337 HydrophobicContact CG1-CG1 3.37Å; F324-V337 CarbonylContact O-C 3.58Å; F324-V337 VanDerWaalsContact O-CA 3.32Å; F324-V337 WeakPolarHBondContact O-CA 3.19Å; V337-E432 CarbonylContact O-C 3.48Å; V337-E432 WeakPolarHBondContact O-CA 3.41Å; V337-S433 PolarHBondContact N-O 2.91Å; V337-S433 PolarHBondContact O-N 2.79Å; V337-F435 HydrophobicContact CG2-CB 4.21Å; V337-F435 HydrophobicContact CG2-CD2 3.71Å; V337-F435 HydrophobicContact CG2-CG 4.43Å
338	I	98.3	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	107.7	174.7	-59.6	-179.2	0	0	0	108.1	L303 F304 F324 C326 V336 L340 A430 L431 E432	L303-I338 HydrophobicContact CD1-CD1 4.34Å; L303-I338 HydrophobicContact CD2-CD1 4.27Å; L303-I338 HydrophobicContact CD2-CG2 4.13Å; L303-I338 HydrophobicContact CG-CD1 4.32Å; F304-I338 HydrophobicContact CE1-CD1 3.81Å; F304-I338 HydrophobicContact CZ-CB 4.37Å; F304-I338 HydrophobicContact CZ-CD1 3.95Å; F304-I338 HydrophobicContact CZ-CG2 3.99Å; F324-I338 PolarHBondContact N-O 3.4Å; F324-I338 PolarHBondContact O-N 2.68Å; C326-I338 VanDerWaalsContact SG-CD1 3.6Å; V336-I338 HydrophobicContact CG2-CG1 4.36Å; I338-L340 HydrophobicContact CG2-CD2 3.86Å; I338-L340 HydrophobicContact CG2-CG 4.18Å; I338-A430 HydrophobicContact CG2-CB 3.91Å; I338-L431 VanDerWaalsContact CA-O 3.31Å; I338-L431 WeakPolarHBondContact CA-O 3.43Å; I338-E432 HydrophobicContact CG1-CB 4.4Å; I338-E432 HydrophobicContact CG1-CG 4.31Å
339	K	98.1	Very high	94.8	Very high	32 Å²	32	55.1 Å²	55.1	14%	0.139	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113.1	170.2	-177.9	179	177.7	-175.6	0	107.9	V323 I341 E363 A430 L431 D549	V323-K339 HydrophobicContact CG2-CG 4.32Å; K339-I341 HydrophobicContact CD-CD1 4.28Å; K339-I341 HydrophobicContact CG-CD1 4.36Å; K339-I341 HydrophobicContact CG-CG1 4.1Å; K339-E363 IonicContact NZ-OE1 3.39Å; K339-E363 PolarHBondContact NZ-OE1 3.39Å; K339-E363 IonicContact NZ-OE2 2.8Å; K339-A430 WeakPolarHBondContact O-CA 3.26Å; K339-L431 HydrophobicContact CB-CB 4.36Å; K339-L431 PolarHBondContact N-O 3.27Å; K339-L431 PolarHBondContact O-N 2.81Å; K339-D549 IonicContact NZ-OD1 3.32Å; K339-D549 IonicContact NZ-OD2 3.98Å; K339-D549 PolarHBondContact NZ-OD2 3.08Å
340	L	98.3	Very high	94.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	120.8	176.9	-67.3	179.9	0	0	0	110.1	F300 F304 G321 E322 F324 I338 F397 L401 W428 A430	F300-L340 HydrophobicContact CE1-CD1 3.86Å; F300-L340 HydrophobicContact CE1-CD2 4.16Å; F304-L340 HydrophobicContact CE2-CD1 4.27Å; F304-L340 HydrophobicContact CE2-CD2 4.39Å; F304-L340 HydrophobicContact CZ-CD1 4.26Å; G321-L340 CarbonylContact C-O 3.57Å; G321-L340 WeakPolarHBondContact CA-O 3.17Å; E322-L340 PolarHBondContact N-O 2.77Å; E322-L340 PolarHBondContact O-N 2.64Å; F324-L340 HydrophobicContact CD2-CD1 3.93Å; F324-L340 HydrophobicContact CD2-CG 4.27Å; F324-L340 HydrophobicContact CE2-CD1 3.75Å; F324-L340 HydrophobicContact CE2-CG 4.37Å; I338-L340 HydrophobicContact CG2-CD2 3.86Å; I338-L340 HydrophobicContact CG2-CG 4.18Å; L340-F397 HydrophobicContact CD1-CE2 4.38Å; L340-L401 HydrophobicContact CD1-CD1 3.67Å; L340-L401 HydrophobicContact CD1-CD2 4.33Å; L340-W428 HydrophobicContact CB-CE3 4.26Å; L340-W428 HydrophobicContact CB-CZ3 4.42Å; L340-A430 HydrophobicContact CD2-CB 3.54Å
341	I	97.6	Very high	94.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	115.2	-177.3	-55.8	174.5	0	0	0	107.8	K339 I343 K355 V360 W428 V429 L431	K339-I341 HydrophobicContact CD-CD1 4.28Å; K339-I341 HydrophobicContact CG-CD1 4.36Å; K339-I341 HydrophobicContact CG-CG1 4.1Å; I341-I343 HydrophobicContact CG2-CG2 4.06Å; I341-K355 HydrophobicContact CG2-CB 4.48Å; I341-K355 HydrophobicContact CG2-CD 4.14Å; I341-K355 HydrophobicContact CG2-CG 4.49Å; I341-V360 HydrophobicContact CD1-CG1 4.47Å; I341-V360 HydrophobicContact CG2-CG2 4.05Å; I341-W428 CarbonylContact O-C 3.59Å; I341-W428 VanDerWaalsContact O-CA 3.27Å; I341-W428 WeakPolarHBondContact O-CA 3.26Å; I341-V429 PolarHBondContact N-O 2.97Å; I341-V429 PolarHBondContact O-N 3.1Å; I341-L431 HydrophobicContact CD1-CD1 4.19Å; I341-L431 HydrophobicContact CD1-CG 4.48Å
342	P	97.9	Very high	94.7	Very high	4 Å²	4	49 Å²	49	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	135.7	170.3	30.5	-31.6	0	0	0	109.3	F320 F349 Q354 F422 W428	F320-P342 WeakPolarHBondContact O-CD 3.41Å; P342-F349 HydrophobicContact CG-CD1 4.08Å; P342-Q354 HydrophobicContact CB-CG 4.47Å; P342-F422 HydrophobicContact CB-CE1 4.25Å; P342-F422 HydrophobicContact CB-CE2 4.09Å; P342-F422 HydrophobicContact CB-CZ 3.79Å; P342-F422 HydrophobicContact CG-CE2 4.14Å; P342-F422 HydrophobicContact CG-CZ 3.8Å; P342-W428 HydrophobicContact CB-CD2 4.35Å; P342-W428 HydrophobicContact CB-CE3 3.89Å; P342-W428 HydrophobicContact CB-CH2 4.24Å; P342-W428 HydrophobicContact CB-CZ3 3.83Å; P342-W428 HydrophobicContact CG-CE3 4.49Å; P342-W428 HydrophobicContact CG-CZ3 4.13Å
343	I	97.6	Very high	94.8	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	155.8	-176.9	57.2	153	0	0	0	112.2	I341 G345 Q354 K355 F357 V360 L392 Q426 L427 V429	I341-I343 HydrophobicContact CG2-CG2 4.06Å; I343-G345 PolarHBondContact O-N 3.08Å; I343-Q354 PolarHBondContact O-OE1 3.39Å; I343-K355 WeakPolarHBondContact CA-O 3.22Å; I343-K355 VanDerWaalsContact CB-O 3.28Å; I343-K355 WeakPolarHBondContact CB-O 3.31Å; I343-K355 HydrophobicContact CG2-CB 4.31Å; I343-K355 WeakPolarHBondContact CG2-O 3.2Å; I343-F357 HydrophobicContact CD1-CD1 3.62Å; I343-F357 HydrophobicContact CD1-CE1 3.43Å; I343-F357 VanDerWaalsContact CD1-CE1 3.43Å; I343-F357 HydrophobicContact CD1-CZ 4.29Å; I343-V360 HydrophobicContact CG2-CG2 3.57Å; I343-L392 HydrophobicContact CD1-CD2 4.25Å; I343-Q426 PolarHBondContact O-NE2 3.32Å; I343-L427 HydrophobicContact CD1-CB 4.24Å; I343-L427 HydrophobicContact CG1-CB 3.85Å; I343-L427 PolarHBondContact N-O 2.93Å; I343-V429 HydrophobicContact CD1-CG2 3.83Å; I343-V429 HydrophobicContact CG1-CG2 4.33Å; I343-V429 HydrophobicContact CG2-CG2 4.19Å
344	E	96.5	Very high	95.1	Very high	93 Å²	93	43.9 Å²	43.9	44%	0.435	23%	0.23	S	C	.	.	S	Bend	trans	57	25.7	167.8	-61	-78.4	148.6	0	0	114.5	K355 S356 F357 L427	E344-K355 PolarHBondContact N-O 3.39Å; E344-K355 VanDerWaalsContact N-O 3.11Å; E344-S356 VanDerWaalsContact OE1-CA 3.26Å; E344-S356 WeakPolarHBondContact OE1-CA 3.08Å; E344-F357 HydrophobicContact CG-CD1 4.28Å; E344-F357 HydrophobicContact CG-CD2 3.58Å; E344-F357 HydrophobicContact CG-CE1 4.23Å; E344-F357 HydrophobicContact CG-CE2 3.5Å; E344-F357 VanDerWaalsContact CG-CE2 3.5Å; E344-F357 HydrophobicContact CG-CG 3.98Å; E344-F357 HydrophobicContact CG-CZ 3.84Å; E344-F357 WeakPolarHBondContact OE1-CD2 3.28Å; E344-F357 PolarHBondContact OE1-N 3.07Å; E344-L427 HydrophobicContact CB-CD1 4.25Å
345	G	94.9	Very high	95.1	Very high	20 Å²	20	39.7 Å²	39.7	21%	0.206	21%	0.21	C	C	.	.			trans	-116.9	146.5	-179.5	0	0	0	0	0	113.5	I343 I347 Q354	I343-G345 PolarHBondContact O-N 3.08Å; G345-I347 VanDerWaalsContact C-N 3.3Å; G345-I347 PolarHBondContact O-N 2.76Å; G345-Q354 VanDerWaalsContact CA-CD 3.47Å; G345-Q354 VanDerWaalsContact O-CD 3.29Å; G345-Q354 WeakPolarHBondContact O-CG 3.29Å; G345-Q354 PolarHBondContact O-NE2 2.99Å
346	N	94.4	Very high	95	Very high	172 Å²	172	37.5 Å²	37.5	92%	0.92	21%	0.206	S	C	*	.	S	Bend	trans	-82.1	-3.5	-176.1	-59.2	-29.1	0	0	0	114.2
347	I	93.7	Very high	94.9	Very high	59 Å²	59	38.6 Å²	38.6	30%	0.303	21%	0.211	S	C	.	.	S	Bend	trans	-84.9	117	178.1	-65.1	175.9	0	0	0	107.8	G345 Q354 I421 F422 P423	G345-I347 VanDerWaalsContact C-N 3.3Å; G345-I347 PolarHBondContact O-N 2.76Å; I347-Q354 WeakPolarHBondContact O-CG 3.34Å; I347-Q354 PolarHBondContact O-NE2 2.66Å; I347-I421 HydrophobicContact CG2-CD1 3.7Å; I347-I421 HydrophobicContact CG2-CG1 4.3Å; I347-F422 HydrophobicContact CB-CD1 4.39Å; I347-F422 HydrophobicContact CB-CE1 4.18Å; I347-F422 HydrophobicContact CD1-CD1 4.33Å; I347-F422 HydrophobicContact CG2-CD1 4.38Å; I347-F422 HydrophobicContact CG2-CE1 4.04Å; I347-P423 HydrophobicContact CD1-CG 4.4Å
348	K	93	Very high	94.4	Very high	131 Å²	131	38.7 Å²	38.7	57%	0.57	21%	0.213	S	C	*	.			trans	-61.8	138.1	167.8	-75	-173.4	155.5	-128.3	0	110.4	G351 E352	K348-G351 WeakPolarHBondContact CD-O 3.47Å; K348-G351 PolarHBondContact NZ-O 3.02Å; K348-E352 CarbonylContact C-O 3.54Å; K348-E352 WeakPolarHBondContact CA-O 3.48Å; K348-E352 WeakPolarHBondContact CB-O 3.5Å
349	F	91.7	Very high	94.1	Very high	8 Å²	8	42 Å²	42	4%	0.035	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-136.4	128.1	-176.6	-177.8	-113.1	0	0	0	108.1	P342 G351 E352 D417 P419 I421 F422	P342-F349 HydrophobicContact CG-CD1 4.08Å; F349-G351 PolarHBondContact O-N 3.33Å; F349-E352 PolarHBondContact N-O 3.39Å; F349-E352 PolarHBondContact O-N 3.34Å; F349-D417 HydrophobicContact CD2-CB 3.79Å; F349-D417 HydrophobicContact CE2-CB 3.67Å; F349-D417 VanDerWaalsContact CE2-O 3.29Å; F349-D417 WeakPolarHBondContact CE2-O 3.42Å; F349-P419 HydrophobicContact CE2-CB 4.3Å; F349-P419 HydrophobicContact CE2-CG 4.16Å; F349-P419 HydrophobicContact CZ-CB 4.42Å; F349-P419 HydrophobicContact CZ-CG 3.97Å; F349-I421 HydrophobicContact CD2-CD1 4.2Å; F349-F422 HydrophobicContact CB-CE1 4.42Å; F349-F422 HydrophobicContact CB-CZ 3.78Å; F349-F422 HydrophobicContact CD1-CZ 4.23Å; F349-F422 AromaticContact CD2-CE2 3.79Å; F349-F422 HydrophobicContact CD2-CE2 3.79Å; F349-F422 AromaticContact CD2-CZ 3.53Å; F349-F422 HydrophobicContact CD2-CZ 3.53Å; F349-F422 AromaticContact CE2-CE2 3.95Å; F349-F422 HydrophobicContact CE2-CE2 3.95Å; F349-F422 HydrophobicContact CE2-CZ 4.18Å; F349-F422 HydrophobicContact CG-CE2 4.15Å; F349-F422 AromaticContact CG-CZ 3.58Å; F349-F422 HydrophobicContact CG-CZ 3.58Å; F349-F422 HydrophobicContact CZ-CE2 4.45Å
350	N	91.5	Very high	93.9	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	29.8	-170.3	-50.5	-30.1	0	0	0	112.5	C319 E352 N416 D417	C319-N350 PolarHBondContact O-ND2 3.22Å; N350-E352 PolarHBondContact O-N 3.3Å; N350-N416 PolarHBondContact ND2-ND2 2.92Å; N350-N416 VanDerWaalsContact ND2-ND2 3.19Å; N350-N416 PolarHBondContact ND2-OD1 3.06Å; N350-N416 WeakPolarHBondContact OD1-CA 3.42Å; N350-N416 WeakPolarHBondContact OD1-CB 3.45Å; N350-D417 WeakPolarHBondContact CA-OD2 3.33Å; N350-D417 PolarHBondContact N-OD2 3.49Å; N350-D417 PolarHBondContact OD1-N 3.44Å
351	G	89.7	Confident	93.6	Very high	24 Å²	24	40.5 Å²	40.5	25%	0.247	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-20.2	-171.8	0	0	0	0	0	115.3	K348 F349	K348-G351 WeakPolarHBondContact CD-O 3.47Å; K348-G351 PolarHBondContact NZ-O 3.02Å; F349-G351 PolarHBondContact O-N 3.33Å
352	E	89.2	Confident	93.2	Very high	51 Å²	51	41 Å²	41	24%	0.238	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-87.1	161.3	-175.1	-68.6	-51.6	144.3	0	0	114.3	P122 F320 K348 F349 N350	P122-E352 WeakPolarHBondContact CD-OE1 3.42Å; F320-E352 HydrophobicContact CE1-CB 4.27Å; F320-E352 HydrophobicContact CE1-CG 4.43Å; K348-E352 CarbonylContact C-O 3.54Å; K348-E352 WeakPolarHBondContact CA-O 3.48Å; K348-E352 WeakPolarHBondContact CB-O 3.5Å; F349-E352 PolarHBondContact N-O 3.39Å; F349-E352 PolarHBondContact O-N 3.34Å; N350-E352 PolarHBondContact O-N 3.3Å
353	S	93.2	Very high	93	Very high	78 Å²	78	41 Å²	41	55%	0.545	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-76.3	148.6	166.9	-62.7	0	0	0	0	110.3
354	Q	95.7	Very high	92.8	Very high	22 Å²	22	41 Å²	41	10%	0.103	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-68	145.7	175.4	-58.5	-175.4	23.3	0	0	110.9	P342 I343 G345 I347 F422 Q426	P342-Q354 HydrophobicContact CB-CG 4.47Å; I343-Q354 PolarHBondContact O-OE1 3.39Å; G345-Q354 VanDerWaalsContact CA-CD 3.47Å; G345-Q354 VanDerWaalsContact O-CD 3.29Å; G345-Q354 WeakPolarHBondContact O-CG 3.29Å; G345-Q354 PolarHBondContact O-NE2 2.99Å; I347-Q354 WeakPolarHBondContact O-CG 3.34Å; I347-Q354 PolarHBondContact O-NE2 2.66Å; Q354-F422 VanDerWaalsContact NE2-CE1 3.34Å; Q354-Q426 VanDerWaalsContact NE2-OE1 3.09Å
355	K	94.2	Very high	92.5	Very high	9 Å²	9	36.7 Å²	36.7	4%	0.039	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-61.3	142.7	175.6	-70.1	-170.3	178.5	-168	0	110.5	F320 I341 I343 E344 E359 V360 E363 T551	F320-K355 HydrophobicContact CB-CD 4.41Å; F320-K355 HydrophobicContact CB-CG 4.4Å; F320-K355 HydrophobicContact CD1-CG 4.06Å; F320-K355 HydrophobicContact CG-CD 4.42Å; F320-K355 HydrophobicContact CG-CG 4.21Å; I341-K355 HydrophobicContact CG2-CB 4.48Å; I341-K355 HydrophobicContact CG2-CD 4.14Å; I341-K355 HydrophobicContact CG2-CG 4.49Å; I343-K355 WeakPolarHBondContact CA-O 3.22Å; I343-K355 VanDerWaalsContact CB-O 3.28Å; I343-K355 WeakPolarHBondContact CB-O 3.31Å; I343-K355 HydrophobicContact CG2-CB 4.31Å; I343-K355 WeakPolarHBondContact CG2-O 3.2Å; E344-K355 PolarHBondContact N-O 3.39Å; E344-K355 VanDerWaalsContact N-O 3.11Å; K355-E359 HydrophobicContact CB-CB 4.18Å; K355-E359 HydrophobicContact CD-CB 4.33Å; K355-E359 HydrophobicContact CG-CB 4.33Å; K355-V360 HydrophobicContact CB-CG2 3.66Å; K355-V360 HydrophobicContact CD-CG2 3.66Å; K355-V360 HydrophobicContact CG-CG2 4.32Å; K355-E363 IonicContact NZ-OE2 3.13Å; K355-E363 PolarHBondContact NZ-OE2 3.2Å; K355-T551 PolarHBondContact NZ-OG1 3.04Å; K355-T551 VanDerWaalsContact NZ-OG1 3.08Å
356	S	94.1	Very high	92.4	Very high	31 Å²	31	35.8 Å²	35.8	22%	0.217	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-74.4	166.6	166.7	64.8	0	0	0	0	111.8	E344 S358 E359 V360	E344-S356 VanDerWaalsContact OE1-CA 3.26Å; E344-S356 WeakPolarHBondContact OE1-CA 3.08Å; S356-S358 PolarHBondContact O-N 3.28Å; S356-S358 PolarHBondContact OG-N 2.92Å; S356-E359 VanDerWaalsContact CB-OE2 3.25Å; S356-E359 WeakPolarHBondContact CB-OE2 3.3Å; S356-E359 PolarHBondContact N-OE2 3.42Å; S356-E359 PolarHBondContact O-N 3.5Å; S356-E359 PolarHBondContact OG-N 3.16Å; S356-E359 PolarHBondContact OG-OE2 2.94Å; S356-V360 PolarHBondContact O-N 2.78Å
357	F	94.2	Very high	92.5	Very high	22 Å²	22	28.1 Å²	28.1	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-53.4	-33.9	168.1	-70.7	-61.5	0	0	0	112.1	I284 K285 L288 I343 E344 L361 L392 L427	I284-F357 HydrophobicContact CB-CB 4.41Å; I284-F357 HydrophobicContact CG2-CB 3.64Å; I284-F357 WeakPolarHBondContact CG2-O 3.48Å; K285-F357 HydrophobicContact CB-CD2 4.24Å; K285-F357 HydrophobicContact CB-CE2 4.16Å; K285-F357 HydrophobicContact CB-CZ 4.35Å; K285-F357 HydrophobicContact CD-CE2 3.93Å; K285-F357 HydrophobicContact CD-CZ 3.86Å; K285-F357 HydrophobicContact CG-CE1 4.29Å; K285-F357 HydrophobicContact CG-CE2 4.17Å; K285-F357 HydrophobicContact CG-CZ 3.95Å; L288-F357 HydrophobicContact CD1-CB 4.03Å; L288-F357 HydrophobicContact CD1-CD1 3.64Å; L288-F357 HydrophobicContact CD1-CG 4.29Å; I343-F357 HydrophobicContact CD1-CD1 3.62Å; I343-F357 HydrophobicContact CD1-CE1 3.43Å; I343-F357 VanDerWaalsContact CD1-CE1 3.43Å; I343-F357 HydrophobicContact CD1-CZ 4.29Å; E344-F357 HydrophobicContact CG-CD1 4.28Å; E344-F357 HydrophobicContact CG-CD2 3.58Å; E344-F357 HydrophobicContact CG-CE1 4.23Å; E344-F357 HydrophobicContact CG-CE2 3.5Å; E344-F357 VanDerWaalsContact CG-CE2 3.5Å; E344-F357 HydrophobicContact CG-CG 3.98Å; E344-F357 HydrophobicContact CG-CZ 3.84Å; E344-F357 WeakPolarHBondContact OE1-CD2 3.28Å; E344-F357 PolarHBondContact OE1-N 3.07Å; F357-L361 WeakPolarHBondContact O-CB 3.39Å; F357-L361 PolarHBondContact O-N 3.27Å; F357-L392 HydrophobicContact CE1-CD2 4.26Å; F357-L427 HydrophobicContact CZ-CD1 4.07Å
358	S	89.6	Confident	92.3	Very high	26 Å²	26	27.4 Å²	27.4	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-67.8	-45.3	-178.7	-166.6	0	0	0	0	111.9	S356 V360 L361 S362	S356-S358 PolarHBondContact O-N 3.28Å; S356-S358 PolarHBondContact OG-N 2.92Å; S358-V360 VanDerWaalsContact C-N 3.34Å; S358-V360 PolarHBondContact O-N 3.16Å; S358-L361 PolarHBondContact O-N 3.16Å; S358-S362 PolarHBondContact O-N 3.44Å; S358-S362 VanDerWaalsContact O-N 3.15Å
359	E	91.8	Very high	92.2	Very high	70 Å²	70	21.2 Å²	21.2	33%	0.327	12%	0.122	S	C	.	.	H	α-helix	trans	-73.8	-23.5	-177	-68.8	155.3	126.1	0	0	113.2	K355 S356 S362	K355-E359 HydrophobicContact CB-CB 4.18Å; K355-E359 HydrophobicContact CD-CB 4.33Å; K355-E359 HydrophobicContact CG-CB 4.33Å; S356-E359 VanDerWaalsContact CB-OE2 3.25Å; S356-E359 WeakPolarHBondContact CB-OE2 3.3Å; S356-E359 PolarHBondContact N-OE2 3.42Å; S356-E359 PolarHBondContact O-N 3.5Å; S356-E359 PolarHBondContact OG-N 3.16Å; S356-E359 PolarHBondContact OG-OE2 2.94Å; E359-S362 PolarHBondContact O-OG 2.81Å
360	V	94.1	Very high	92.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-87.2	-31.6	170.1	-173.9	0	0	0	0	111.8	I341 I343 K355 S356 S358 S362 E363 V364 V429	I341-V360 HydrophobicContact CD1-CG1 4.47Å; I341-V360 HydrophobicContact CG2-CG2 4.05Å; I343-V360 HydrophobicContact CG2-CG2 3.57Å; K355-V360 HydrophobicContact CB-CG2 3.66Å; K355-V360 HydrophobicContact CD-CG2 3.66Å; K355-V360 HydrophobicContact CG-CG2 4.32Å; S356-V360 PolarHBondContact O-N 2.78Å; S358-V360 VanDerWaalsContact C-N 3.34Å; S358-V360 PolarHBondContact O-N 3.16Å; V360-S362 VanDerWaalsContact C-N 3.31Å; V360-S362 PolarHBondContact O-N 3.09Å; V360-E363 PolarHBondContact O-N 3.26Å; V360-V364 HydrophobicContact CG1-CG2 4.16Å; V360-V364 WeakPolarHBondContact O-CB 3.17Å; V360-V364 VanDerWaalsContact O-CG2 3.29Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.31Å; V360-V429 HydrophobicContact CB-CG2 4.31Å; V360-V429 HydrophobicContact CG1-CB 3.81Å; V360-V429 HydrophobicContact CG1-CG1 3.74Å; V360-V429 HydrophobicContact CG1-CG2 3.71Å
361	L	91.2	Very high	92.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-37.1	175.2	-179.8	59.1	0	0	0	111.8	Y279 I284 T287 L288 I291 F357 S358 V364 I365	Y279-L361 HydrophobicContact CD2-CD2 3.62Å; Y279-L361 HydrophobicContact CE2-CD2 3.89Å; I284-L361 HydrophobicContact CB-CD2 4.45Å; I284-L361 HydrophobicContact CG2-CB 4.12Å; I284-L361 HydrophobicContact CG2-CD2 3.66Å; T287-L361 HydrophobicContact CG2-CD1 4.01Å; T287-L361 HydrophobicContact CG2-CD2 3.89Å; L288-L361 HydrophobicContact CD1-CB 4.37Å; L288-L361 HydrophobicContact CD2-CB 4.14Å; L288-L361 HydrophobicContact CD2-CD1 3.77Å; L288-L361 HydrophobicContact CG-CB 4.17Å; L288-L361 HydrophobicContact CG-CD1 4.03Å; I291-L361 HydrophobicContact CD1-CD1 3.5Å; I291-L361 VanDerWaalsContact CD1-CD1 3.5Å; F357-L361 WeakPolarHBondContact O-CB 3.39Å; F357-L361 PolarHBondContact O-N 3.27Å; S358-L361 PolarHBondContact O-N 3.16Å; L361-V364 PolarHBondContact O-N 3.4Å; L361-I365 HydrophobicContact CD1-CD1 3.95Å; L361-I365 HydrophobicContact CD1-CG1 3.96Å; L361-I365 HydrophobicContact CD2-CD1 4.47Å; L361-I365 HydrophobicContact CG-CD1 3.79Å; L361-I365 HydrophobicContact CG-CG1 4.28Å; L361-I365 VanDerWaalsContact O-CG1 3.22Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 2.9Å
362	S	90.1	Very high	92.6	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-49.7	173.8	57.6	0	0	0	0	112.2	S358 E359 V360 V364 I365 V366	S358-S362 PolarHBondContact O-N 3.44Å; S358-S362 VanDerWaalsContact O-N 3.15Å; E359-S362 PolarHBondContact O-OG 2.81Å; V360-S362 VanDerWaalsContact C-N 3.31Å; V360-S362 PolarHBondContact O-N 3.09Å; S362-V364 VanDerWaalsContact C-N 3.31Å; S362-V364 PolarHBondContact O-N 3.06Å; S362-I365 PolarHBondContact O-N 3.22Å; S362-V366 WeakPolarHBondContact O-CG2 3.16Å; S362-V366 PolarHBondContact O-N 3.07Å
363	E	93.7	Very high	92.8	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.019	10%	0.102	C	C	.	.	H	α-helix	trans	-58.4	-41.7	176.5	-172.3	179.8	172.1	0	0	111.6	K339 K355 V360 S367 L431 T551	K339-E363 IonicContact NZ-OE1 3.39Å; K339-E363 PolarHBondContact NZ-OE1 3.39Å; K339-E363 IonicContact NZ-OE2 2.8Å; K355-E363 IonicContact NZ-OE2 3.13Å; K355-E363 PolarHBondContact NZ-OE2 3.2Å; V360-E363 PolarHBondContact O-N 3.26Å; E363-S367 VanDerWaalsContact O-CB 3.27Å; E363-S367 WeakPolarHBondContact O-CB 3.15Å; E363-S367 PolarHBondContact O-N 2.96Å; E363-S367 PolarHBondContact O-OG 2.7Å; E363-L431 HydrophobicContact CG-CD1 4.21Å; E363-T551 PolarHBondContact OE2-OG1 2.96Å
364	V	93.3	Very high	92.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-44.8	175.5	164.9	0	0	0	0	112.1	I270 L288 I291 V360 L361 S362 K368 V390 L431	I270-V364 HydrophobicContact CD1-CG1 4.45Å; L288-V364 HydrophobicContact CD2-CB 4.49Å; L288-V364 HydrophobicContact CD2-CG1 4.49Å; L288-V364 HydrophobicContact CD2-CG2 4.24Å; I291-V364 HydrophobicContact CD1-CG1 4.03Å; I291-V364 HydrophobicContact CG2-CG1 3.78Å; V360-V364 HydrophobicContact CG1-CG2 4.16Å; V360-V364 WeakPolarHBondContact O-CB 3.17Å; V360-V364 VanDerWaalsContact O-CG2 3.29Å; V360-V364 WeakPolarHBondContact O-CG2 3.39Å; V360-V364 PolarHBondContact O-N 3.31Å; L361-V364 PolarHBondContact O-N 3.4Å; S362-V364 VanDerWaalsContact C-N 3.31Å; S362-V364 PolarHBondContact O-N 3.06Å; V364-K368 PolarHBondContact O-N 2.99Å; V364-V390 HydrophobicContact CG1-CG2 4.01Å; V364-V390 HydrophobicContact CG2-CG1 4Å; V364-V390 HydrophobicContact CG2-CG2 4.2Å; V364-L431 HydrophobicContact CG2-CD2 3.6Å
365	I	90	Very high	92.5	Very high	4 Å²	4	18 Å²	18	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-51.1	179.4	-66.3	163	0	0	0	110	I270 L361 S362 S367 K368 E369 V562	I270-I365 HydrophobicContact CD1-CG1 4.47Å; I270-I365 HydrophobicContact CG2-CG1 4.2Å; L361-I365 HydrophobicContact CD1-CD1 3.95Å; L361-I365 HydrophobicContact CD1-CG1 3.96Å; L361-I365 HydrophobicContact CD2-CD1 4.47Å; L361-I365 HydrophobicContact CG-CD1 3.79Å; L361-I365 HydrophobicContact CG-CG1 4.28Å; L361-I365 VanDerWaalsContact O-CG1 3.22Å; L361-I365 WeakPolarHBondContact O-CG1 3.27Å; L361-I365 PolarHBondContact O-N 2.9Å; S362-I365 PolarHBondContact O-N 3.22Å; I365-S367 VanDerWaalsContact C-N 3.33Å; I365-S367 PolarHBondContact O-N 2.79Å; I365-K368 PolarHBondContact O-N 2.95Å; I365-E369 HydrophobicContact CG2-CG 4.35Å; I365-E369 PolarHBondContact O-N 2.72Å; I365-V562 HydrophobicContact CB-CG2 4.33Å; I365-V562 HydrophobicContact CD1-CG2 4.03Å; I365-V562 HydrophobicContact CG2-CG2 3.87Å
366	V	93.1	Very high	92.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-46.1	-179.9	177.3	0	0	0	0	111.1	S362 K368 E369 L370 F471 F550 L555 V562	S362-V366 WeakPolarHBondContact O-CG2 3.16Å; S362-V366 PolarHBondContact O-N 3.07Å; V366-K368 PolarHBondContact O-N 2.87Å; V366-E369 PolarHBondContact O-N 3.13Å; V366-L370 HydrophobicContact CG1-CD1 3.6Å; V366-L370 HydrophobicContact CG1-CG 4.14Å; V366-L370 WeakPolarHBondContact O-CB 3.41Å; V366-L370 VanDerWaalsContact O-CG 3.26Å; V366-L370 WeakPolarHBondContact O-CG 3.32Å; V366-L370 PolarHBondContact O-N 3.48Å; V366-F471 HydrophobicContact CG1-CE2 3.9Å; V366-F550 HydrophobicContact CB-CB 4.1Å; V366-F550 HydrophobicContact CG1-CB 3.56Å; V366-F550 HydrophobicContact CG1-CD2 4.38Å; V366-F550 HydrophobicContact CG1-CG 3.95Å; V366-L555 HydrophobicContact CB-CD2 4.16Å; V366-L555 HydrophobicContact CG1-CD2 4.18Å; V366-L555 HydrophobicContact CG2-CD2 3.89Å; V366-L555 HydrophobicContact CG2-CG 4.08Å; V366-V562 HydrophobicContact CG2-CG1 4.07Å
367	S	94.8	Very high	91.9	Very high	10 Å²	10	20.2 Å²	20.2	7%	0.07	12%	0.116	C	C	.	.	H	α-helix	trans	-57.1	-42.8	-180	-62.1	0	0	0	0	113.5	E363 I365 T371	E363-S367 VanDerWaalsContact O-CB 3.27Å; E363-S367 WeakPolarHBondContact O-CB 3.15Å; E363-S367 PolarHBondContact O-N 2.96Å; E363-S367 PolarHBondContact O-OG 2.7Å; I365-S367 VanDerWaalsContact C-N 3.33Å; I365-S367 PolarHBondContact O-N 2.79Å; S367-T371 WeakPolarHBondContact O-CB 3.44Å; S367-T371 PolarHBondContact O-N 3.25Å; S367-T371 PolarHBondContact O-OG1 3.17Å
368	K	90.6	Very high	91.8	Very high	44 Å²	44	24.4 Å²	24.4	19%	0.191	14%	0.135	C	C	.	.	H	α-helix	trans	-80.6	-33.3	-177.9	-175.8	158	151.9	-175.7	0	112.9	N268 I270 V364 I365 V366 T371 A372 L387	N268-K368 WeakPolarHBondContact O-CE 3.18Å; I270-K368 HydrophobicContact CD1-CB 3.51Å; I270-K368 HydrophobicContact CD1-CD 3.75Å; I270-K368 HydrophobicContact CD1-CG 3.91Å; I270-K368 HydrophobicContact CG1-CB 3.94Å; I270-K368 HydrophobicContact CG1-CD 3.57Å; I270-K368 HydrophobicContact CG1-CG 3.78Å; V364-K368 PolarHBondContact O-N 2.99Å; I365-K368 PolarHBondContact O-N 2.95Å; V366-K368 PolarHBondContact O-N 2.87Å; K368-T371 WeakPolarHBondContact O-CB 3.14Å; K368-T371 PolarHBondContact O-N 2.96Å; K368-A372 PolarHBondContact O-N 2.96Å; K368-L387 HydrophobicContact CB-CD2 4.34Å
369	E	90.6	Very high	92.2	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-66.2	-40.5	171.6	-67.2	-54.6	156.5	0	0	111.9	M269 I270 L271 I365 V366 T371 A372 L373 L469 L555	M269-E369 WeakPolarHBondContact CG-OE2 3.35Å; I270-E369 WeakPolarHBondContact CA-OE1 3.34Å; I270-E369 PolarHBondContact N-OE1 3.26Å; L271-E369 HydrophobicContact CD1-CG 4.45Å; L271-E369 HydrophobicContact CG-CG 4.46Å; L271-E369 PolarHBondContact N-OE1 3.05Å; I365-E369 HydrophobicContact CG2-CG 4.35Å; I365-E369 PolarHBondContact O-N 2.72Å; V366-E369 PolarHBondContact O-N 3.13Å; E369-T371 VanDerWaalsContact C-N 3.35Å; E369-A372 WeakPolarHBondContact O-CB 3.25Å; E369-A372 PolarHBondContact O-N 3.2Å; E369-L373 PolarHBondContact O-N 3.07Å; E369-L469 HydrophobicContact CB-CD1 4.04Å; E369-L469 HydrophobicContact CB-CD2 4.36Å; E369-L555 HydrophobicContact CB-CD2 3.87Å; E369-L555 HydrophobicContact CG-CD2 4.25Å
370	L	95.1	Very high	92.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-39.4	172.4	-69	173.8	0	0	0	111.9	V366 A372 L373 F384 A465 L469 F471 F550	V366-L370 HydrophobicContact CG1-CD1 3.6Å; V366-L370 HydrophobicContact CG1-CG 4.14Å; V366-L370 WeakPolarHBondContact O-CB 3.41Å; V366-L370 VanDerWaalsContact O-CG 3.26Å; V366-L370 WeakPolarHBondContact O-CG 3.32Å; V366-L370 PolarHBondContact O-N 3.48Å; L370-A372 VanDerWaalsContact C-N 3.29Å; L370-A372 PolarHBondContact O-N 2.88Å; L370-L373 HydrophobicContact CD2-CD1 3.88Å; L370-L373 VanDerWaalsContact O-CB 3.3Å; L370-L373 WeakPolarHBondContact O-CB 3.43Å; L370-L373 PolarHBondContact O-N 2.98Å; L370-L373 VanDerWaalsContact O-N 3.16Å; L370-F384 HydrophobicContact CB-CB 4.07Å; L370-F384 HydrophobicContact CB-CD1 4.34Å; L370-F384 HydrophobicContact CB-CD2 4.43Å; L370-F384 HydrophobicContact CB-CG 4.04Å; L370-F384 HydrophobicContact CD1-CD1 3.77Å; L370-F384 HydrophobicContact CD1-CE1 4.07Å; L370-F384 HydrophobicContact CD1-CG 4.31Å; L370-F384 HydrophobicContact CD2-CD1 4.01Å; L370-F384 HydrophobicContact CD2-CD2 4.1Å; L370-F384 HydrophobicContact CD2-CE1 3.85Å; L370-F384 HydrophobicContact CD2-CE2 3.96Å; L370-F384 HydrophobicContact CD2-CG 4.13Å; L370-F384 HydrophobicContact CD2-CZ 3.83Å; L370-F384 HydrophobicContact CG-CD1 4.27Å; L370-F384 HydrophobicContact CG-CG 4.4Å; L370-A465 HydrophobicContact CD2-CB 4.01Å; L370-L469 HydrophobicContact CD2-CD1 4.08Å; L370-F471 HydrophobicContact CD1-CD2 4.49Å; L370-F471 HydrophobicContact CD1-CE2 3.76Å; L370-F471 HydrophobicContact CD1-CZ 3.91Å; L370-F471 HydrophobicContact CD2-CD1 4.49Å; L370-F471 HydrophobicContact CD2-CD2 4.03Å; L370-F471 HydrophobicContact CD2-CE2 4.06Å; L370-F471 HydrophobicContact CD2-CG 4.25Å; L370-F471 HydrophobicContact CD2-CZ 4.29Å; L370-F471 HydrophobicContact CG-CE2 4.35Å; L370-F550 HydrophobicContact CD1-CD1 3.7Å; L370-F550 HydrophobicContact CD1-CD2 3.78Å; L370-F550 HydrophobicContact CD1-CE1 3.63Å; L370-F550 HydrophobicContact CD1-CE2 3.69Å; L370-F550 HydrophobicContact CD1-CG 3.79Å; L370-F550 HydrophobicContact CD1-CZ 3.62Å
371	T	94.6	Very high	92.6	Very high	34 Å²	34	21.6 Å²	21.6	21%	0.209	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-40.3	172.8	-62.7	0	0	0	0	111.6	S367 K368 E369 L373 G374 E386 L387	S367-T371 WeakPolarHBondContact O-CB 3.44Å; S367-T371 PolarHBondContact O-N 3.25Å; S367-T371 PolarHBondContact O-OG1 3.17Å; K368-T371 WeakPolarHBondContact O-CB 3.14Å; K368-T371 PolarHBondContact O-N 2.96Å; E369-T371 VanDerWaalsContact C-N 3.35Å; T371-L373 PolarHBondContact O-N 3.07Å; T371-G374 PolarHBondContact O-N 3.38Å; T371-E386 HydrophobicContact CG2-CB 4.42Å; T371-E386 HydrophobicContact CG2-CG 3.85Å; T371-L387 PolarHBondContact OG1-N 2.79Å
372	A	91.7	Very high	92.8	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-20.9	178.9	0	0	0	0	0	113.9	M269 K368 E369 L370 G374 M375	M269-A372 HydrophobicContact CG-CB 4Å; K368-A372 PolarHBondContact O-N 2.96Å; E369-A372 WeakPolarHBondContact O-CB 3.25Å; E369-A372 PolarHBondContact O-N 3.2Å; L370-A372 VanDerWaalsContact C-N 3.29Å; L370-A372 PolarHBondContact O-N 2.88Å; A372-G374 PolarHBondContact O-N 2.82Å; A372-M375 PolarHBondContact O-N 2.67Å; A372-M375 VanDerWaalsContact O-N 3.09Å
373	L	94	Very high	93.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-62.8	-23.2	172.6	-58.3	178.3	0	0	0	112.4	E369 L370 T371 M375 G376 N380 T381 F384 V464 A465 E468 L469	E369-L373 PolarHBondContact O-N 3.07Å; L370-L373 HydrophobicContact CD2-CD1 3.88Å; L370-L373 VanDerWaalsContact O-CB 3.3Å; L370-L373 WeakPolarHBondContact O-CB 3.43Å; L370-L373 PolarHBondContact O-N 2.98Å; L370-L373 VanDerWaalsContact O-N 3.16Å; T371-L373 PolarHBondContact O-N 3.07Å; L373-M375 PolarHBondContact O-N 2.68Å; L373-M375 VanDerWaalsContact O-N 3.16Å; L373-G376 PolarHBondContact O-N 3.49Å; L373-N380 WeakPolarHBondContact O-CA 3.42Å; L373-N380 PolarHBondContact O-ND2 3.05Å; L373-T381 CarbonylContact C-O 3.58Å; L373-T381 HydrophobicContact CB-CG2 4.06Å; L373-T381 HydrophobicContact CD1-CG2 4.28Å; L373-T381 PolarHBondContact O-N 2.96Å; L373-F384 HydrophobicContact CD1-CD2 4.26Å; L373-F384 HydrophobicContact CD1-CE2 4.04Å; L373-V464 HydrophobicContact CD1-CG1 4.38Å; L373-V464 HydrophobicContact CD2-CG1 4.47Å; L373-A465 HydrophobicContact CD1-CB 3.76Å; L373-E468 HydrophobicContact CD2-CB 3.73Å; L373-E468 HydrophobicContact CD2-CG 4.03Å; L373-L469 HydrophobicContact CD1-CD1 3.94Å; L373-L469 HydrophobicContact CD2-CD1 4.03Å; L373-L469 HydrophobicContact CD2-CG 4.21Å; L373-L469 HydrophobicContact CG-CD1 4.09Å
374	G	93.7	Very high	93.4	Very high	39 Å²	39	24.3 Å²	24.3	40%	0.402	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-62	-15.3	172.2	0	0	0	0	0	114.5	T371 A372 N380 T381	T371-G374 PolarHBondContact O-N 3.38Å; A372-G374 PolarHBondContact O-N 2.82Å; G374-N380 PolarHBondContact O-ND2 2.82Å; G374-T381 VanDerWaalsContact CA-O 3.29Å; G374-T381 WeakPolarHBondContact CA-O 3.27Å; G374-T381 PolarHBondContact N-O 2.83Å
375	M	88.6	Confident	93.6	Very high	67 Å²	67	25 Å²	25	33%	0.33	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-115.7	6.3	-176.4	-55.2	-174.2	75.6	0	0	114.4	T261 F264 N268 A372 L373	T261-M375 WeakPolarHBondContact CG2-O 3.29Å; F264-M375 HydrophobicContact CB-CE 3.71Å; F264-M375 HydrophobicContact CG-CE 4.39Å; N268-M375 PolarHBondContact ND2-SD 2.76Å; A372-M375 PolarHBondContact O-N 2.67Å; A372-M375 VanDerWaalsContact O-N 3.09Å; L373-M375 PolarHBondContact O-N 2.68Å; L373-M375 VanDerWaalsContact O-N 3.16Å
376	G	86.9	Confident	93.8	Very high	4 Å²	4	29.5 Å²	29.5	4%	0.041	16%	0.163	C	C	.	.			trans	-70.9	143.8	-172.4	0	0	0	0	0	115	L373 N379 N380	L373-G376 PolarHBondContact O-N 3.49Å; G376-N379 CarbonylContact C-O 3.57Å; G376-N379 WeakPolarHBondContact CA-O 3.35Å; G376-N380 WeakPolarHBondContact O-CB 2.76Å
377	L	87.9	Confident	94	Very high	82 Å²	82	30.1 Å²	30.1	43%	0.429	17%	0.166	S	C	.	.	S	Bend	trans	-87.2	-36.8	-177.7	-68.8	176.4	0	0	0	113.6	K258 T261 R530	K258-L377 HydrophobicContact CB-CD1 4.3Å; K258-L377 HydrophobicContact CG-CD1 4.23Å; K258-L377 HydrophobicContact CG-CD2 4.33Å; T261-L377 HydrophobicContact CG2-CD2 3.76Å; T261-L377 HydrophobicContact CG2-CG 3.99Å; L377-R530 WeakPolarHBondContact O-CD 3.37Å
378	K	93.1	Very high	94	Very high	111 Å²	111	32.9 Å²	32.9	48%	0.483	18%	0.177	S	C	.	.	S	Bend	trans	-96.8	-46.7	178	-172.1	-174.4	178.8	-163.4	0	111.5	R530 D532 G533	K378-R530 WeakPolarHBondContact O-CD 3.41Å; K378-R530 VanDerWaalsContact O-CG 3.22Å; K378-R530 WeakPolarHBondContact O-CG 3.29Å; K378-D532 WeakPolarHBondContact CE-OD1 3.4Å; K378-D532 IonicContact NZ-OD1 3.31Å; K378-D532 PolarHBondContact NZ-OD1 3.37Å; K378-G533 VanDerWaalsContact O-CA 3.31Å; K378-G533 WeakPolarHBondContact O-CA 3.3Å; K378-G533 PolarHBondContact O-N 2.93Å
379	N	96.6	Very high	94.2	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.183	C	C	.	.	S	Bend	trans	-121	134.1	178.9	-64.3	-49.1	0	0	0	108.4	G376 V464 L467 E468 R530 L531 D532	G376-N379 CarbonylContact C-O 3.57Å; G376-N379 WeakPolarHBondContact CA-O 3.35Å; N379-V464 HydrophobicContact CB-CG1 4.2Å; N379-L467 WeakPolarHBondContact ND2-CD2 3.32Å; N379-L467 WeakPolarHBondContact OD1-CD2 3.21Å; N379-E468 HydrophobicContact CB-CG 3.54Å; N379-E468 WeakPolarHBondContact CB-OE1 3.26Å; N379-E468 PolarHBondContact ND2-OE1 2.85Å; N379-R530 CarbonylContact C-O 3.57Å; N379-R530 VanDerWaalsContact CA-O 3.26Å; N379-R530 WeakPolarHBondContact CA-O 3.41Å; N379-L531 WeakPolarHBondContact OD1-CA 3.43Å; N379-D532 WeakPolarHBondContact OD1-CA 3.3Å; N379-D532 PolarHBondContact OD1-N 3.38Å
380	N	96.4	Very high	94.5	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-158.1	133.5	-170.1	176.8	-133.8	0	0	0	111.9	L373 G374 G376 F529 R530	L373-N380 WeakPolarHBondContact O-CA 3.42Å; L373-N380 PolarHBondContact O-ND2 3.05Å; G374-N380 PolarHBondContact O-ND2 2.82Å; G376-N380 WeakPolarHBondContact O-CB 2.76Å; N380-F529 WeakPolarHBondContact O-CA 3.22Å; N380-R530 HydrophobicContact CB-CB 3.92Å; N380-R530 PolarHBondContact N-O 3.19Å; N380-R530 PolarHBondContact O-N 3.09Å
381	T	97.7	Very high	94.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.187	C	C	.	.			trans	-147.2	145	171.9	179.9	0	0	0	0	110.7	L373 G374 G383 F384 S461 V464 F529	L373-T381 CarbonylContact C-O 3.58Å; L373-T381 HydrophobicContact CB-CG2 4.06Å; L373-T381 HydrophobicContact CD1-CG2 4.28Å; L373-T381 PolarHBondContact O-N 2.96Å; G374-T381 VanDerWaalsContact CA-O 3.29Å; G374-T381 WeakPolarHBondContact CA-O 3.27Å; G374-T381 PolarHBondContact N-O 2.83Å; T381-G383 PolarHBondContact OG1-N 3.48Å; T381-F384 HydrophobicContact CG2-CD2 3.8Å; T381-F384 HydrophobicContact CG2-CE2 3.78Å; T381-S461 PolarHBondContact OG1-OG 2.78Å; T381-V464 HydrophobicContact CG2-CB 3.94Å; T381-V464 HydrophobicContact CG2-CG1 3.69Å; T381-F529 VanDerWaalsContact OG1-CD1 3.3Å; T381-F529 WeakPolarHBondContact OG1-CD1 3.49Å; T381-F529 VanDerWaalsContact OG1-CE1 3.28Å; T381-F529 WeakPolarHBondContact OG1-CE1 3.45Å
382	C	95.6	Very high	94.8	Very high	58 Å²	58	33.6 Å²	33.6	39%	0.392	18%	0.178	S	C	.	.			trans	-99.8	7	166.8	65.6	0	0	0	0	112.7	F384 H546	C382-F384 PolarHBondContact O-N 3.19Å; C382-H546 PolarHBondContact O-CD2 2.65Å
383	G	98	Very high	95.1	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	18%	0.176	C	C	.	.			trans	-80.4	13.3	-172.6	0	0	0	0	0	115.6	T381 S461 V545 H546 L547	T381-G383 PolarHBondContact OG1-N 3.48Å; G383-S461 WeakPolarHBondContact CA-OG 3.37Å; G383-V545 WeakPolarHBondContact CA-O 3.24Å; G383-H546 CarbonylContact O-C 3.4Å; G383-H546 WeakPolarHBondContact O-CA 3.25Å; G383-L547 WeakPolarHBondContact O-CG 3.37Å; G383-L547 PolarHBondContact O-N 3.35Å
384	F	98.3	Very high	95.3	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.044	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-117.2	146.8	169.2	-63.5	-82.8	0	0	0	108.4	L370 L373 T381 C382 E386 S461 A465 F471 L547 F550	L370-F384 HydrophobicContact CB-CB 4.07Å; L370-F384 HydrophobicContact CB-CD1 4.34Å; L370-F384 HydrophobicContact CB-CD2 4.43Å; L370-F384 HydrophobicContact CB-CG 4.04Å; L370-F384 HydrophobicContact CD1-CD1 3.77Å; L370-F384 HydrophobicContact CD1-CE1 4.07Å; L370-F384 HydrophobicContact CD1-CG 4.31Å; L370-F384 HydrophobicContact CD2-CD1 4.01Å; L370-F384 HydrophobicContact CD2-CD2 4.1Å; L370-F384 HydrophobicContact CD2-CE1 3.85Å; L370-F384 HydrophobicContact CD2-CE2 3.96Å; L370-F384 HydrophobicContact CD2-CG 4.13Å; L370-F384 HydrophobicContact CD2-CZ 3.83Å; L370-F384 HydrophobicContact CG-CD1 4.27Å; L370-F384 HydrophobicContact CG-CG 4.4Å; L373-F384 HydrophobicContact CD1-CD2 4.26Å; L373-F384 HydrophobicContact CD1-CE2 4.04Å; T381-F384 HydrophobicContact CG2-CD2 3.8Å; T381-F384 HydrophobicContact CG2-CE2 3.78Å; C382-F384 PolarHBondContact O-N 3.19Å; F384-E386 PolarHBondContact O-N 3.27Å; F384-S461 WeakPolarHBondContact CE2-O 3.47Å; F384-A465 HydrophobicContact CE2-CB 3.79Å; F384-A465 HydrophobicContact CZ-CB 3.63Å; F384-F471 HydrophobicContact CE1-CD1 4.49Å; F384-F471 AromaticContact CE1-CE1 3.77Å; F384-F471 HydrophobicContact CE1-CE1 3.77Å; F384-F471 HydrophobicContact CE1-CZ 4.11Å; F384-F471 HydrophobicContact CZ-CD1 4.33Å; F384-F471 HydrophobicContact CZ-CE1 4.04Å; F384-L547 HydrophobicContact CD1-CB 3.84Å; F384-L547 HydrophobicContact CD1-CD1 4.36Å; F384-L547 HydrophobicContact CD1-CG 4.48Å; F384-L547 HydrophobicContact CE1-CB 4.13Å; F384-L547 HydrophobicContact CE1-CD1 3.84Å; F384-L547 HydrophobicContact CE1-CG 4.44Å; F384-L547 HydrophobicContact CZ-CD1 4.34Å; F384-F550 HydrophobicContact CB-CZ 4.38Å; F384-F550 AromaticContact CD1-CE1 3.92Å; F384-F550 HydrophobicContact CD1-CE1 3.92Å; F384-F550 AromaticContact CD1-CZ 3.88Å; F384-F550 HydrophobicContact CD1-CZ 3.88Å; F384-F550 HydrophobicContact CE1-CE1 4.45Å
385	V	97.5	Very high	95.5	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.097	18%	0.181	C	C	.	.			trans	-62.2	132.3	176.3	65.6	0	0	0	0	111.3	L387 L547 I548 F550	V385-L387 PolarHBondContact O-N 2.79Å; V385-L547 PolarHBondContact N-O 3.1Å; V385-I548 HydrophobicContact CB-CG2 3.86Å; V385-I548 HydrophobicContact CG1-CB 4.42Å; V385-I548 HydrophobicContact CG1-CG2 3.77Å; V385-F550 HydrophobicContact CG1-CE2 4.13Å; V385-F550 HydrophobicContact CG1-CZ 4.3Å
386	E	95.9	Very high	96	Very high	97 Å²	97	34.9 Å²	34.9	45%	0.453	18%	0.181	S	C	.	.			trans	-70.2	118.9	172.6	178.7	-173.1	-167.1	0	0	110.1	T371 F384 K388 S433 A434	T371-E386 HydrophobicContact CG2-CB 4.42Å; T371-E386 HydrophobicContact CG2-CG 3.85Å; F384-E386 PolarHBondContact O-N 3.27Å; E386-K388 HydrophobicContact CG-CG 4.28Å; E386-S433 CarbonylContact O-C 3.47Å; E386-S433 WeakPolarHBondContact O-CA 3.32Å; E386-S433 VanDerWaalsContact O-CB 3.25Å; E386-S433 WeakPolarHBondContact O-CB 3.42Å; E386-A434 HydrophobicContact CB-CB 4.06Å; E386-A434 PolarHBondContact O-N 2.9Å
387	L	95.8	Very high	96.5	Very high	15 Å²	15	35.4 Å²	35.4	8%	0.079	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	108.3	165.2	177.3	67.3	0	0	0	108.8	K368 T371 V385 K389 V390 L431	K368-L387 HydrophobicContact CB-CD2 4.34Å; T371-L387 PolarHBondContact OG1-N 2.79Å; V385-L387 PolarHBondContact O-N 2.79Å; L387-K389 WeakPolarHBondContact CD1-O 3.07Å; L387-V390 HydrophobicContact CD1-CG2 4.27Å; L387-V390 HydrophobicContact CD2-CG2 3.78Å; L387-V390 HydrophobicContact CG-CG2 4.33Å; L387-L431 HydrophobicContact CD1-CB 4.02Å; L387-L431 HydrophobicContact CD1-CD2 4.47Å
388	K	94.5	Very high	97	Very high	67 Å²	67	32.6 Å²	32.6	29%	0.291	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-47.5	-179.6	-62.3	-165.5	179.6	-165.5	0	112.2	D328 V336 E386 E432	D328-K388 IonicContact OD2-NZ 3.76Å; D328-K388 PolarHBondContact OD2-NZ 2.79Å; V336-K388 HydrophobicContact CG1-CD 4Å; E386-K388 HydrophobicContact CG-CG 4.28Å; K388-E432 WeakPolarHBondContact CA-O 3.44Å; K388-E432 WeakPolarHBondContact CB-O 3.38Å; K388-E432 PolarHBondContact N-O 2.68Å
389	K	95.1	Very high	97.2	Very high	76 Å²	76	31.2 Å²	31.2	33%	0.33	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	157	-177.6	-56.1	177.4	-170.6	148.2	0	111.8	E329 L387 E432	E329-K389 IonicContact OE2-NZ 3.51Å; E329-K389 PolarHBondContact OE2-NZ 3.09Å; L387-K389 WeakPolarHBondContact CD1-O 3.07Å; K389-E432 HydrophobicContact CB-CB 4.13Å; K389-E432 PolarHBondContact N-O 3.45Å; K389-E432 IonicContact NZ-OE1 3.23Å; K389-E432 PolarHBondContact O-N 3.08Å
390	V	96.8	Very high	97.3	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.8	168.3	-173	0	0	0	0	108.3	I291 C292 V364 L387 V429 A430 L431	I291-V390 HydrophobicContact CG2-CB 4.44Å; I291-V390 HydrophobicContact CG2-CG2 4.22Å; C292-V390 VanDerWaalsContact SG-CG1 3.58Å; V364-V390 HydrophobicContact CG1-CG2 4.01Å; V364-V390 HydrophobicContact CG2-CG1 4Å; V364-V390 HydrophobicContact CG2-CG2 4.2Å; L387-V390 HydrophobicContact CD1-CG2 4.27Å; L387-V390 HydrophobicContact CD2-CG2 3.78Å; L387-V390 HydrophobicContact CG-CG2 4.33Å; V390-V429 HydrophobicContact CG1-CG1 3.83Å; V390-A430 WeakPolarHBondContact CA-O 3.31Å; V390-L431 HydrophobicContact CG1-CD2 4.01Å; V390-L431 HydrophobicContact CG2-CD2 4.18Å
391	H	98.1	Very high	97.4	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.046	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.1	176.9	-52	-54.3	0	0	0	112	K298 L303 I393 V429 A430 E432	K298-H391 PolarHBondContact NZ-ND1 3.43Å; L303-H391 WeakPolarHBondContact CD1-CD2 3.45Å; H391-I393 HydrophobicContact CB-CD1 4.31Å; H391-I393 HydrophobicContact CB-CG1 4.23Å; H391-V429 CarbonylContact O-C 3.58Å; H391-V429 WeakPolarHBondContact O-CA 3.38Å; H391-A430 HydrophobicContact CB-CB 4.15Å; H391-A430 PolarHBondContact N-O 2.76Å; H391-A430 PolarHBondContact O-N 2.96Å; H391-E432 IonicContact NE2-OE2 2.62Å
392	L	98.5	Very high	97.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126	163.5	-77.4	168.1	0	0	0	109.2	L288 F289 Q294 Y297 K298 I343 F357 V429	L288-L392 HydrophobicContact CB-CD1 3.91Å; F289-L392 HydrophobicContact CB-CD1 4.33Å; F289-L392 HydrophobicContact CD1-CB 4.49Å; F289-L392 HydrophobicContact CD1-CD1 3.49Å; F289-L392 VanDerWaalsContact CD1-CD1 3.49Å; F289-L392 HydrophobicContact CD2-CD1 3.91Å; F289-L392 HydrophobicContact CE1-CB 4.01Å; F289-L392 HydrophobicContact CE1-CD1 3.59Å; F289-L392 HydrophobicContact CE1-CG 4.48Å; F289-L392 HydrophobicContact CE2-CD1 4.03Å; F289-L392 HydrophobicContact CG-CD1 3.64Å; F289-L392 HydrophobicContact CZ-CD1 3.88Å; Q294-L392 PolarHBondContact NE2-O 2.97Å; Y297-L392 HydrophobicContact CD1-CB 3.92Å; Y297-L392 HydrophobicContact CE1-CB 4.2Å; Y297-L392 HydrophobicContact CE1-CD2 4.3Å; K298-L392 PolarHBondContact N-O 3.03Å; I343-L392 HydrophobicContact CD1-CD2 4.25Å; F357-L392 HydrophobicContact CE1-CD2 4.26Å; L392-V429 HydrophobicContact CD2-CG2 3.91Å
393	I	98.5	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.1	-174.8	-64.2	169	0	0	0	110	K298 F300 L303 H391 L427 W428 A430	K298-I393 HydrophobicContact CB-CG1 4.19Å; K298-I393 CarbonylContact O-C 3.52Å; K298-I393 WeakPolarHBondContact O-CA 3.24Å; K298-I393 WeakPolarHBondContact O-CG2 3.14Å; F300-I393 HydrophobicContact CD1-CG2 4.2Å; F300-I393 HydrophobicContact CD2-CG2 4.02Å; F300-I393 HydrophobicContact CE1-CG2 4.24Å; F300-I393 HydrophobicContact CE2-CG2 4.07Å; F300-I393 HydrophobicContact CG-CG2 4.08Å; F300-I393 HydrophobicContact CZ-CG2 4.18Å; L303-I393 HydrophobicContact CB-CD1 4.04Å; L303-I393 HydrophobicContact CD2-CD1 3.45Å; L303-I393 VanDerWaalsContact CD2-CD1 3.45Å; L303-I393 HydrophobicContact CG-CD1 4.35Å; H391-I393 HydrophobicContact CB-CD1 4.31Å; H391-I393 HydrophobicContact CB-CG1 4.23Å; I393-L427 CarbonylContact O-C 3.47Å; I393-L427 WeakPolarHBondContact O-CA 3.35Å; I393-W428 HydrophobicContact CB-CB 4.15Å; I393-W428 PolarHBondContact N-O 2.62Å; I393-W428 PolarHBondContact O-N 2.62Å; I393-A430 HydrophobicContact CD1-CB 3.88Å
394	Q	98.5	Very high	97.5	Very high	79 Å²	79	40.8 Å²	40.8	37%	0.369	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.1	167.2	-175.3	168.1	47.7	0	0	110.2	Y297 K298 T425 Q426 L427	Y297-Q394 HydrophobicContact CD1-CB 4.4Å; Y297-Q394 HydrophobicContact CG-CB 4.02Å; K298-Q394 PolarHBondContact O-N 3.34Å; Q394-T425 PolarHBondContact NE2-O 2.93Å; Q394-Q426 WeakPolarHBondContact CA-O 3.22Å; Q394-L427 HydrophobicContact CB-CD2 3.89Å; Q394-L427 HydrophobicContact CG-CD2 3.81Å
395	G	98.2	Very high	97.5	Very high	13 Å²	13	41.1 Å²	41.1	13%	0.134	21%	0.212	C	C	.	.	S	Bend	trans	155.3	162.2	175	0	0	0	0	0	114.6	K424 Q426 W428	G395-K424 VanDerWaalsContact CA-O 3.31Å; G395-K424 WeakPolarHBondContact CA-O 3.38Å; G395-Q426 PolarHBondContact N-O 3.03Å; G395-W428 PolarHBondContact O-NE1 3.22Å
396	S	97.5	Very high	97.5	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-72.6	148.3	166.2	53.2	0	0	0	0	110.4	P398 F422 P423	S396-P398 WeakPolarHBondContact O-CD 3.44Å; S396-F422 WeakPolarHBondContact CB-O 3.29Å; S396-P423 WeakPolarHBondContact CA-O 3.27Å; S396-P423 PolarHBondContact N-O 3.3Å
397	F	97.9	Very high	97.6	Very high	15 Å²	15	44.1 Å²	44.1	7%	0.066	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-60.8	119.8	-178.8	-164.7	-113.7	0	0	0	111.9	F324 L340 L401 K402 P419 W428	F324-F397 HydrophobicContact CZ-CE2 4.39Å; F324-F397 AromaticContact CZ-CZ 3.95Å; F324-F397 HydrophobicContact CZ-CZ 3.95Å; L340-F397 HydrophobicContact CD1-CE2 4.38Å; F397-L401 HydrophobicContact CD1-CB 4.39Å; F397-L401 HydrophobicContact CD2-CB 4.3Å; F397-L401 HydrophobicContact CD2-CD1 4.36Å; F397-L401 HydrophobicContact CE1-CB 3.88Å; F397-L401 HydrophobicContact CE2-CB 3.76Å; F397-L401 HydrophobicContact CE2-CD1 4.06Å; F397-L401 HydrophobicContact CE2-CG 4.46Å; F397-L401 HydrophobicContact CZ-CB 3.54Å; F397-K402 HydrophobicContact CD1-CB 4.24Å; F397-K402 HydrophobicContact CE1-CB 4.25Å; F397-P419 HydrophobicContact CB-CB 4.29Å; F397-P419 VanDerWaalsContact CB-O 3.24Å; F397-P419 WeakPolarHBondContact CB-O 3.45Å; F397-P419 HydrophobicContact CD1-CB 3.83Å; F397-P419 HydrophobicContact CD1-CG 4.37Å; F397-P419 HydrophobicContact CD2-CB 3.76Å; F397-P419 HydrophobicContact CD2-CG 4.47Å; F397-P419 HydrophobicContact CE1-CB 3.89Å; F397-P419 HydrophobicContact CE1-CG 3.93Å; F397-P419 HydrophobicContact CE2-CB 3.85Å; F397-P419 HydrophobicContact CE2-CG 4.05Å; F397-P419 HydrophobicContact CG-CB 3.74Å; F397-P419 HydrophobicContact CZ-CB 3.89Å; F397-P419 HydrophobicContact CZ-CG 3.74Å; F397-W428 HydrophobicContact CB-CZ2 4.47Å; F397-W428 AromaticContact CD2-CH2 3.99Å; F397-W428 HydrophobicContact CD2-CH2 3.99Å; F397-W428 HydrophobicContact CD2-CZ2 4.25Å
398	P	98.1	Very high	97.7	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-81.8	152.2	-168.9	32.7	-37.6	0	0	0	113	F300 S396 Y400 L401 K402	F300-P398 HydrophobicContact CB-CG 3.93Å; F300-P398 HydrophobicContact CD1-CG 4.36Å; F300-P398 HydrophobicContact CD2-CG 4.34Å; F300-P398 HydrophobicContact CG-CG 3.98Å; S396-P398 WeakPolarHBondContact O-CD 3.44Å; P398-Y400 HydrophobicContact CB-CD1 4.06Å; P398-Y400 HydrophobicContact CB-CE1 3.63Å; P398-Y400 HydrophobicContact CB-CE2 4.31Å; P398-Y400 HydrophobicContact CG-CD1 4.45Å; P398-Y400 HydrophobicContact CG-CD2 4.24Å; P398-Y400 HydrophobicContact CG-CE1 3.94Å; P398-Y400 HydrophobicContact CG-CE2 3.7Å; P398-Y400 PolarHBondContact O-N 3.38Å; P398-L401 HydrophobicContact CG-CB 4.11Å; P398-L401 HydrophobicContact CG-CD1 3.7Å; P398-L401 HydrophobicContact CG-CG 4.04Å; P398-L401 PolarHBondContact O-N 2.69Å; P398-K402 PolarHBondContact O-N 3.01Å
399	A	97.8	Very high	97.9	Very high	83 Å²	83	44.3 Å²	44.3	69%	0.686	23%	0.228	S	C	*	.	H	α-helix	trans	-55.4	-27.7	-175.1	0	0	0	0	0	115.3	K403	A399-K403 WeakPolarHBondContact O-CB 3.42Å; A399-K403 PolarHBondContact O-N 2.95Å
400	Y	97.9	Very high	98	Very high	56 Å²	56	49.6 Å²	49.6	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-76	-32.7	176	54.6	-99.3	0	0	0	113.3	F300 F304 R309 L312 P398 A404	F300-Y400 VanDerWaalsContact C-OH 3.24Å; F300-Y400 PolarHBondContact O-OH 3.04Å; F304-Y400 HydrophobicContact CB-CE2 3.64Å; F304-Y400 HydrophobicContact CD2-CE2 4.29Å; F304-Y400 AromaticContact CG-CE2 3.98Å; F304-Y400 HydrophobicContact CG-CE2 3.98Å; R309-Y400 HydrophobicContact CG-CD2 4.1Å; R309-Y400 HydrophobicContact CG-CE2 4.21Å; R309-Y400 HydrophobicContact CG-CG 4.29Å; L312-Y400 HydrophobicContact CD2-CD2 3.73Å; L312-Y400 HydrophobicContact CD2-CE2 4.48Å; P398-Y400 HydrophobicContact CB-CD1 4.06Å; P398-Y400 HydrophobicContact CB-CE1 3.63Å; P398-Y400 HydrophobicContact CB-CE2 4.31Å; P398-Y400 HydrophobicContact CG-CD1 4.45Å; P398-Y400 HydrophobicContact CG-CD2 4.24Å; P398-Y400 HydrophobicContact CG-CE1 3.94Å; P398-Y400 HydrophobicContact CG-CE2 3.7Å; P398-Y400 PolarHBondContact O-N 3.38Å; Y400-A404 PolarHBondContact O-N 3.46Å
401	L	98.5	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-73.4	-40.7	170.1	-75.6	170.3	0	0	0	110.1	F300 F304 L312 F324 L340 F397 P398 K403 A404 W405	F300-L401 HydrophobicContact CD1-CD1 3.75Å; F300-L401 HydrophobicContact CE1-CD1 3.81Å; F304-L401 HydrophobicContact CD2-CD1 4.19Å; F304-L401 HydrophobicContact CE1-CD2 4.06Å; F304-L401 HydrophobicContact CE2-CD1 3.82Å; F304-L401 HydrophobicContact CE2-CD2 4.3Å; F304-L401 HydrophobicContact CZ-CD1 4.22Å; F304-L401 HydrophobicContact CZ-CD2 3.9Å; L312-L401 HydrophobicContact CD1-CD2 4.17Å; L312-L401 HydrophobicContact CD2-CD2 3.82Å; L312-L401 HydrophobicContact CD2-CG 4.34Å; L312-L401 HydrophobicContact CG-CD2 4.44Å; F324-L401 HydrophobicContact CD1-CD2 3.58Å; F324-L401 HydrophobicContact CD2-CD2 3.91Å; F324-L401 HydrophobicContact CE1-CD2 3.54Å; F324-L401 HydrophobicContact CE2-CD2 3.87Å; F324-L401 HydrophobicContact CG-CD2 3.79Å; F324-L401 HydrophobicContact CZ-CB 4.44Å; F324-L401 HydrophobicContact CZ-CD2 3.72Å; L340-L401 HydrophobicContact CD1-CD1 3.67Å; L340-L401 HydrophobicContact CD1-CD2 4.33Å; F397-L401 HydrophobicContact CD1-CB 4.39Å; F397-L401 HydrophobicContact CD2-CB 4.3Å; F397-L401 HydrophobicContact CD2-CD1 4.36Å; F397-L401 HydrophobicContact CE1-CB 3.88Å; F397-L401 HydrophobicContact CE2-CB 3.76Å; F397-L401 HydrophobicContact CE2-CD1 4.06Å; F397-L401 HydrophobicContact CE2-CG 4.46Å; F397-L401 HydrophobicContact CZ-CB 3.54Å; P398-L401 HydrophobicContact CG-CB 4.11Å; P398-L401 HydrophobicContact CG-CD1 3.7Å; P398-L401 HydrophobicContact CG-CG 4.04Å; P398-L401 PolarHBondContact O-N 2.69Å; L401-K403 PolarHBondContact O-N 2.76Å; L401-A404 WeakPolarHBondContact O-CB 3.43Å; L401-A404 PolarHBondContact O-N 2.94Å; L401-A404 VanDerWaalsContact O-N 3.09Å; L401-W405 PolarHBondContact O-N 3.15Å
402	K	98	Very high	97.8	Very high	70 Å²	70	61.1 Å²	61.1	30%	0.304	30%	0.302	S	S	.	.	H	α-helix	trans	-55.4	-47.8	171.1	-168	-167.6	-172.7	-55.9	0	111.9	F397 P398 A404 W405 D406 S420	F397-K402 HydrophobicContact CD1-CB 4.24Å; F397-K402 HydrophobicContact CE1-CB 4.25Å; P398-K402 PolarHBondContact O-N 3.01Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.21Å; K402-W405 CarbonylContact O-C 3.58Å; K402-W405 WeakPolarHBondContact O-CA 3.42Å; K402-W405 WeakPolarHBondContact O-CB 3.39Å; K402-W405 PolarHBondContact O-N 3.3Å; K402-W405 VanDerWaalsContact O-N 3.08Å; K402-D406 IonicContact NZ-OD1 3.59Å; K402-D406 PolarHBondContact NZ-OD1 2.86Å; K402-D406 IonicContact NZ-OD2 2.62Å; K402-D406 PolarHBondContact NZ-OD2 2.93Å; K402-D406 WeakPolarHBondContact O-CB 3.34Å; K402-D406 PolarHBondContact O-N 2.63Å; K402-S420 WeakPolarHBondContact CD-OG 3.49Å; K402-S420 WeakPolarHBondContact CE-OG 3.32Å; K402-S420 VanDerWaalsContact CG-OG 3.31Å; K402-S420 WeakPolarHBondContact CG-OG 3.4Å
403	K	98.1	Very high	97.7	Very high	161 Å²	161	68.6 Å²	68.6	70%	0.7	34%	0.335	S	S	*	.	H	α-helix	trans	-59	-35.9	176.8	-177.8	177.5	177.9	-180	0	112.9	A399 L401 K407	A399-K403 WeakPolarHBondContact O-CB 3.42Å; A399-K403 PolarHBondContact O-N 2.95Å; L401-K403 PolarHBondContact O-N 2.76Å; K403-K407 WeakPolarHBondContact O-CB 3.22Å; K403-K407 PolarHBondContact O-N 2.68Å
404	A	98.3	Very high	97.5	Very high	10 Å²	10	69.5 Å²	69.5	8%	0.083	34%	0.341	C	S	.	.	H	α-helix	trans	-72.5	-35.1	175.9	0	0	0	0	0	112.4	L312 F324 Y400 L401 K402 Y408	L312-A404 HydrophobicContact CG-CB 4.41Å; F324-A404 HydrophobicContact CD1-CB 4.24Å; F324-A404 HydrophobicContact CE1-CB 3.97Å; Y400-A404 PolarHBondContact O-N 3.46Å; L401-A404 WeakPolarHBondContact O-CB 3.43Å; L401-A404 PolarHBondContact O-N 2.94Å; L401-A404 VanDerWaalsContact O-N 3.09Å; K402-A404 VanDerWaalsContact C-N 3.26Å; K402-A404 PolarHBondContact O-N 3.21Å; A404-Y408 PolarHBondContact O-N 3.02Å
405	W	98.3	Very high	97.2	Very high	17 Å²	17	73.3 Å²	73.3	6%	0.064	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-51.4	171.6	-172.4	104.3	0	0	0	111.3	K314 L401 K402 K407 Y408 D409 N416 N418	K314-W405 HydrophobicContact CD-CG 4.42Å; L401-W405 PolarHBondContact O-N 3.15Å; K402-W405 CarbonylContact O-C 3.58Å; K402-W405 WeakPolarHBondContact O-CA 3.42Å; K402-W405 WeakPolarHBondContact O-CB 3.39Å; K402-W405 PolarHBondContact O-N 3.3Å; K402-W405 VanDerWaalsContact O-N 3.08Å; W405-K407 PolarHBondContact O-N 2.81Å; W405-Y408 WeakPolarHBondContact O-CA 3.42Å; W405-Y408 WeakPolarHBondContact O-CB 3.29Å; W405-Y408 PolarHBondContact O-N 3.37Å; W405-D409 HydrophobicContact CE3-CB 4Å; W405-D409 HydrophobicContact CH2-CB 3.96Å; W405-D409 HydrophobicContact CZ3-CB 3.6Å; W405-D409 PolarHBondContact O-N 3.16Å; W405-N416 WeakPolarHBondContact CZ2-O 3.48Å; W405-N418 HydrophobicContact CE3-CB 4.45Å; W405-N418 HydrophobicContact CH2-CB 3.92Å; W405-N418 HydrophobicContact CZ2-CB 3.99Å; W405-N418 HydrophobicContact CZ3-CB 4.16Å; W405-N418 WeakPolarHBondContact CZ3-ND2 3.17Å
406	D	98.2	Very high	97	Very high	60 Å²	60	73.7 Å²	73.7	32%	0.321	36%	0.357	S	S	.	.	H	α-helix	trans	-59.1	-33.1	-179.3	-63.2	-14.2	0	0	0	111.7	K402 K410 N418	K402-D406 IonicContact NZ-OD1 3.59Å; K402-D406 PolarHBondContact NZ-OD1 2.86Å; K402-D406 IonicContact NZ-OD2 2.62Å; K402-D406 PolarHBondContact NZ-OD2 2.93Å; K402-D406 WeakPolarHBondContact O-CB 3.34Å; K402-D406 PolarHBondContact O-N 2.63Å; D406-K410 WeakPolarHBondContact O-CB 3.25Å; D406-K410 PolarHBondContact O-N 2.91Å; D406-N418 PolarHBondContact OD1-ND2 2.85Å
407	K	98.1	Very high	96.9	Very high	116 Å²	116	75 Å²	75	50%	0.504	36%	0.361	S	S	.	.	H	α-helix	trans	-67.5	-48	173	-178.1	-176.3	173.5	-171.3	0	111.6	K403 W405 K410 E411	K403-K407 WeakPolarHBondContact O-CB 3.22Å; K403-K407 PolarHBondContact O-N 2.68Å; W405-K407 PolarHBondContact O-N 2.81Å; K407-K410 PolarHBondContact O-N 3.26Å; K407-E411 WeakPolarHBondContact CE-OE1 3.44Å; K407-E411 VanDerWaalsContact CE-OE2 3.22Å; K407-E411 WeakPolarHBondContact CE-OE2 3.49Å; K407-E411 IonicContact NZ-OE1 3.09Å; K407-E411 IonicContact NZ-OE2 3.2Å; K407-E411 WeakPolarHBondContact O-CB 3.47Å; K407-E411 WeakPolarHBondContact O-CG 3.33Å; K407-E411 PolarHBondContact O-N 3.07Å; K407-E411 VanDerWaalsContact O-N 3.07Å
408	Y	97.8	Very high	96.8	Very high	24 Å²	24	76.2 Å²	76.2	9%	0.094	37%	0.368	C	S	.	.	H	α-helix	trans	-62.6	-45.2	-179.8	179.2	-79.8	0	0	0	111.3	K314 A404 W405 K410 E411 K412	K314-Y408 HydrophobicContact CB-CD2 4.02Å; K314-Y408 HydrophobicContact CB-CG 4.15Å; K314-Y408 HydrophobicContact CD-CD1 3.81Å; K314-Y408 HydrophobicContact CD-CD2 4.01Å; K314-Y408 HydrophobicContact CD-CE1 4.38Å; K314-Y408 HydrophobicContact CD-CG 3.62Å; K314-Y408 VanDerWaalsContact CE-CD1 3.45Å; K314-Y408 HydrophobicContact CG-CD1 4.36Å; K314-Y408 HydrophobicContact CG-CD2 3.62Å; K314-Y408 HydrophobicContact CG-CE2 4.11Å; K314-Y408 HydrophobicContact CG-CG 3.76Å; A404-Y408 PolarHBondContact O-N 3.02Å; W405-Y408 WeakPolarHBondContact O-CA 3.42Å; W405-Y408 WeakPolarHBondContact O-CB 3.29Å; W405-Y408 PolarHBondContact O-N 3.37Å; Y408-K410 PolarHBondContact O-N 2.72Å; Y408-E411 PolarHBondContact O-N 2.8Å; Y408-E411 VanDerWaalsContact O-N 3.08Å; Y408-K412 HydrophobicContact CD1-CB 4.46Å; Y408-K412 HydrophobicContact CD2-CD 4.14Å; Y408-K412 HydrophobicContact CE1-CB 4.18Å; Y408-K412 HydrophobicContact CE1-CD 4.24Å; Y408-K412 HydrophobicContact CE2-CD 3.57Å; Y408-K412 PolarHBondContact O-N 3.23Å
409	D	97.7	Very high	96.6	Very high	61 Å²	61	75.1 Å²	75.1	33%	0.326	36%	0.361	S	S	.	.	H	α-helix	trans	-57.1	-47.5	175.8	178.6	47.2	0	0	0	111.5	W405 E411 K413 S414	W405-D409 HydrophobicContact CE3-CB 4Å; W405-D409 HydrophobicContact CH2-CB 3.96Å; W405-D409 HydrophobicContact CZ3-CB 3.6Å; W405-D409 PolarHBondContact O-N 3.16Å; D409-E411 VanDerWaalsContact C-N 3.28Å; D409-E411 PolarHBondContact O-N 2.97Å; D409-K413 WeakPolarHBondContact O-CA 3.13Å; D409-K413 PolarHBondContact O-N 2.91Å; D409-S414 PolarHBondContact OD1-N 3Å
410	K	97.8	Very high	96.5	Very high	187 Å²	187	73.6 Å²	73.6	81%	0.813	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-34.5	174.8	-175.6	179.9	177.1	-175.9	0	113.8	D406 K407 Y408	D406-K410 WeakPolarHBondContact O-CB 3.25Å; D406-K410 PolarHBondContact O-N 2.91Å; K407-K410 PolarHBondContact O-N 3.26Å; Y408-K410 PolarHBondContact O-N 2.72Å
411	E	96.4	Very high	96.4	Very high	133 Å²	133	75.1 Å²	75.1	62%	0.621	36%	0.356	S	S	*	.	H	α-helix	trans	-88.9	-30.2	-173.8	-74.1	176.4	174.1	0	0	113.9	K407 Y408 D409	K407-E411 WeakPolarHBondContact CE-OE1 3.44Å; K407-E411 VanDerWaalsContact CE-OE2 3.22Å; K407-E411 WeakPolarHBondContact CE-OE2 3.49Å; K407-E411 IonicContact NZ-OE1 3.09Å; K407-E411 IonicContact NZ-OE2 3.2Å; K407-E411 WeakPolarHBondContact O-CB 3.47Å; K407-E411 WeakPolarHBondContact O-CG 3.33Å; K407-E411 PolarHBondContact O-N 3.07Å; K407-E411 VanDerWaalsContact O-N 3.07Å; Y408-E411 PolarHBondContact O-N 2.8Å; Y408-E411 VanDerWaalsContact O-N 3.08Å; D409-E411 VanDerWaalsContact C-N 3.28Å; D409-E411 PolarHBondContact O-N 2.97Å
412	K	94.2	Very high	96.3	Very high	129 Å²	129	75.4 Å²	75.4	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-126.6	-17	-173.8	-68.5	-170.7	179.4	-174.2	0	115.1	I315 Y408	I315-K412 PolarHBondContact O-NZ 3.38Å; Y408-K412 HydrophobicContact CD1-CB 4.46Å; Y408-K412 HydrophobicContact CD2-CD 4.14Å; Y408-K412 HydrophobicContact CE1-CB 4.18Å; Y408-K412 HydrophobicContact CE1-CD 4.24Å; Y408-K412 HydrophobicContact CE2-CD 3.57Å; Y408-K412 PolarHBondContact O-N 3.23Å
413	K	95.4	Very high	96.2	Very high	158 Å²	158	74.7 Å²	74.7	69%	0.687	36%	0.36	S	S	*	.			trans	64.3	116.4	-161	-52	174.9	-175.5	175.6	0	110.5	D409	D409-K413 WeakPolarHBondContact O-CA 3.13Å; D409-K413 PolarHBondContact O-N 2.91Å
414	S	94.6	Very high	96.2	Very high	18 Å²	18	75.2 Å²	75.2	13%	0.126	36%	0.362	C	S	.	.			trans	-81.7	130.6	177.7	-131.6	0	0	0	0	108.7	K314 E317 D409 N416	K314-S414 PolarHBondContact NZ-OG 3.27Å; E317-S414 PolarHBondContact OE2-OG 3.08Å; D409-S414 PolarHBondContact OD1-N 3Å; S414-N416 VanDerWaalsContact C-N 3.32Å
415	E	92.4	Very high	96.2	Very high	160 Å²	160	79.4 Å²	79.4	75%	0.748	39%	0.387	S	S	*	.	S	Bend	trans	-83.2	-15.1	171.3	-60.6	-62.4	141.8	0	0	111.7	E317	E317-E415 PolarHBondContact OE1-N 3.11Å
416	N	94.2	Very high	96.2	Very high	20 Å²	20	79 Å²	79	11%	0.107	39%	0.385	C	S	.	.	S	Bend	trans	-82.3	154.4	177.4	-81.4	15.5	0	0	0	113.4	G318 G321 E322 N350 W405 S414	G318-N416 PolarHBondContact O-ND2 3.41Å; G318-N416 VanDerWaalsContact O-ND2 3.1Å; G321-N416 PolarHBondContact O-ND2 2.8Å; E322-N416 WeakPolarHBondContact OE1-CB 3.42Å; E322-N416 PolarHBondContact OE1-ND2 3.33Å; N350-N416 PolarHBondContact ND2-ND2 2.92Å; N350-N416 VanDerWaalsContact ND2-ND2 3.19Å; N350-N416 PolarHBondContact ND2-OD1 3.06Å; N350-N416 WeakPolarHBondContact OD1-CA 3.42Å; N350-N416 WeakPolarHBondContact OD1-CB 3.45Å; W405-N416 WeakPolarHBondContact CZ2-O 3.48Å; S414-N416 VanDerWaalsContact C-N 3.32Å
417	D	95	Very high	96.2	Very high	75 Å²	75	77.3 Å²	77.3	40%	0.401	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.8	150.9	165.6	-76.8	-43.4	0	0	0	111.4	F349 N350 P419	F349-D417 HydrophobicContact CD2-CB 3.79Å; F349-D417 HydrophobicContact CE2-CB 3.67Å; F349-D417 VanDerWaalsContact CE2-O 3.29Å; F349-D417 WeakPolarHBondContact CE2-O 3.42Å; N350-D417 WeakPolarHBondContact CA-OD2 3.33Å; N350-D417 PolarHBondContact N-OD2 3.49Å; N350-D417 PolarHBondContact OD1-N 3.44Å; D417-P419 VanDerWaalsContact O-CD 3.28Å; D417-P419 WeakPolarHBondContact O-CD 3.44Å
418	N	95.3	Very high	96.2	Very high	40 Å²	40	71.8 Å²	71.8	21%	0.214	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-73	120.2	174.8	-168.3	-60.8	0	0	0	110.8	W405 D406 S420 I421	W405-N418 HydrophobicContact CE3-CB 4.45Å; W405-N418 HydrophobicContact CH2-CB 3.92Å; W405-N418 HydrophobicContact CZ2-CB 3.99Å; W405-N418 HydrophobicContact CZ3-CB 4.16Å; W405-N418 WeakPolarHBondContact CZ3-ND2 3.17Å; D406-N418 PolarHBondContact OD1-ND2 2.85Å; N418-S420 PolarHBondContact O-N 3.45Å; N418-S420 WeakPolarHBondContact OD1-CB 3.44Å; N418-S420 PolarHBondContact OD1-N 3.18Å; N418-S420 PolarHBondContact OD1-OG 2.73Å; N418-I421 PolarHBondContact O-N 3.03Å
419	P	95.7	Very high	96.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-68.2	-1	-175.2	-15.7	27.6	0	0	0	115	E322 F349 F397 D417 I421 F422 W428	E322-P419 HydrophobicContact CG-CG 3.77Å; F349-P419 HydrophobicContact CE2-CB 4.3Å; F349-P419 HydrophobicContact CE2-CG 4.16Å; F349-P419 HydrophobicContact CZ-CB 4.42Å; F349-P419 HydrophobicContact CZ-CG 3.97Å; F397-P419 HydrophobicContact CB-CB 4.29Å; F397-P419 VanDerWaalsContact CB-O 3.24Å; F397-P419 WeakPolarHBondContact CB-O 3.45Å; F397-P419 HydrophobicContact CD1-CB 3.83Å; F397-P419 HydrophobicContact CD1-CG 4.37Å; F397-P419 HydrophobicContact CD2-CB 3.76Å; F397-P419 HydrophobicContact CD2-CG 4.47Å; F397-P419 HydrophobicContact CE1-CB 3.89Å; F397-P419 HydrophobicContact CE1-CG 3.93Å; F397-P419 HydrophobicContact CE2-CB 3.85Å; F397-P419 HydrophobicContact CE2-CG 4.05Å; F397-P419 HydrophobicContact CG-CB 3.74Å; F397-P419 HydrophobicContact CZ-CB 3.89Å; F397-P419 HydrophobicContact CZ-CG 3.74Å; D417-P419 VanDerWaalsContact O-CD 3.28Å; D417-P419 WeakPolarHBondContact O-CD 3.44Å; P419-I421 PolarHBondContact O-N 2.81Å; P419-I421 VanDerWaalsContact O-N 3.11Å; P419-F422 HydrophobicContact CB-CD2 3.98Å; P419-F422 HydrophobicContact CB-CE2 4Å; P419-F422 WeakPolarHBondContact O-CD2 3.3Å; P419-F422 PolarHBondContact O-N 3.05Å; P419-W428 HydrophobicContact CB-CH2 4.16Å
420	S	95.3	Very high	96.2	Very high	51 Å²	51	67.8 Å²	67.8	36%	0.357	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-64	-10.7	175.3	-53.9	0	0	0	0	114	K402 N418 F422	K402-S420 WeakPolarHBondContact CD-OG 3.49Å; K402-S420 WeakPolarHBondContact CE-OG 3.32Å; K402-S420 VanDerWaalsContact CG-OG 3.31Å; K402-S420 WeakPolarHBondContact CG-OG 3.4Å; N418-S420 PolarHBondContact O-N 3.45Å; N418-S420 WeakPolarHBondContact OD1-CB 3.44Å; N418-S420 PolarHBondContact OD1-N 3.18Å; N418-S420 PolarHBondContact OD1-OG 2.73Å; S420-F422 PolarHBondContact O-N 2.76Å
421	I	94.5	Very high	96.2	Very high	88 Å²	88	59.2 Å²	59.2	45%	0.451	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19.4	174.7	64	177.3	0	0	0	113.6	I347 F349 N418 P419	I347-I421 HydrophobicContact CG2-CD1 3.7Å; I347-I421 HydrophobicContact CG2-CG1 4.3Å; F349-I421 HydrophobicContact CD2-CD1 4.2Å; N418-I421 PolarHBondContact O-N 3.03Å; P419-I421 PolarHBondContact O-N 2.81Å; P419-I421 VanDerWaalsContact O-N 3.11Å
422	F	97	Very high	96.3	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.022	27%	0.266	C	S	.	.			trans	-77.4	134.5	-170.5	-68.5	-57.6	0	0	0	114.1	P342 I347 F349 Q354 S396 P419 S420 Q426 W428	P342-F422 HydrophobicContact CB-CE1 4.25Å; P342-F422 HydrophobicContact CB-CE2 4.09Å; P342-F422 HydrophobicContact CB-CZ 3.79Å; P342-F422 HydrophobicContact CG-CE2 4.14Å; P342-F422 HydrophobicContact CG-CZ 3.8Å; I347-F422 HydrophobicContact CB-CD1 4.39Å; I347-F422 HydrophobicContact CB-CE1 4.18Å; I347-F422 HydrophobicContact CD1-CD1 4.33Å; I347-F422 HydrophobicContact CG2-CD1 4.38Å; I347-F422 HydrophobicContact CG2-CE1 4.04Å; F349-F422 HydrophobicContact CB-CE1 4.42Å; F349-F422 HydrophobicContact CB-CZ 3.78Å; F349-F422 HydrophobicContact CD1-CZ 4.23Å; F349-F422 AromaticContact CD2-CE2 3.79Å; F349-F422 HydrophobicContact CD2-CE2 3.79Å; F349-F422 AromaticContact CD2-CZ 3.53Å; F349-F422 HydrophobicContact CD2-CZ 3.53Å; F349-F422 AromaticContact CE2-CE2 3.95Å; F349-F422 HydrophobicContact CE2-CE2 3.95Å; F349-F422 HydrophobicContact CE2-CZ 4.18Å; F349-F422 HydrophobicContact CG-CE2 4.15Å; F349-F422 AromaticContact CG-CZ 3.58Å; F349-F422 HydrophobicContact CG-CZ 3.58Å; F349-F422 HydrophobicContact CZ-CE2 4.45Å; Q354-F422 VanDerWaalsContact NE2-CE1 3.34Å; S396-F422 WeakPolarHBondContact CB-O 3.29Å; P419-F422 HydrophobicContact CB-CD2 3.98Å; P419-F422 HydrophobicContact CB-CE2 4Å; P419-F422 WeakPolarHBondContact O-CD2 3.3Å; P419-F422 PolarHBondContact O-N 3.05Å; S420-F422 PolarHBondContact O-N 2.76Å; F422-Q426 HydrophobicContact CB-CB 3.93Å; F422-Q426 HydrophobicContact CB-CG 3.84Å; F422-Q426 HydrophobicContact CD1-CG 3.93Å; F422-Q426 HydrophobicContact CG-CG 3.89Å; F422-W428 HydrophobicContact CB-CZ2 4.08Å; F422-W428 AromaticContact CD2-CH2 3.32Å; F422-W428 HydrophobicContact CD2-CH2 3.32Å; F422-W428 AromaticContact CD2-CZ2 3.41Å; F422-W428 HydrophobicContact CD2-CZ2 3.41Å; F422-W428 VanDerWaalsContact CD2-CZ2 3.41Å; F422-W428 HydrophobicContact CD2-CZ3 4.44Å; F422-W428 AromaticContact CE2-CH2 3.54Å; F422-W428 HydrophobicContact CE2-CH2 3.54Å; F422-W428 HydrophobicContact CE2-CZ2 4.07Å; F422-W428 HydrophobicContact CE2-CZ3 4.32Å; F422-W428 HydrophobicContact CG-CH2 4.27Å; F422-W428 AromaticContact CG-CZ2 3.95Å; F422-W428 HydrophobicContact CG-CZ2 3.95Å
423	P	96.6	Very high	96.5	Very high	55 Å²	55	47.6 Å²	47.6	36%	0.357	25%	0.245	S	C	.	.			trans	-72.5	168	-178.1	31.8	-37.9	0	0	0	112.5	I347 S396 T425 Q426	I347-P423 HydrophobicContact CD1-CG 4.4Å; S396-P423 WeakPolarHBondContact CA-O 3.27Å; S396-P423 PolarHBondContact N-O 3.3Å; P423-T425 PolarHBondContact O-N 3.34Å; P423-T425 VanDerWaalsContact O-N 3.08Å; P423-Q426 HydrophobicContact CG-CB 4.4Å; P423-Q426 VanDerWaalsContact O-CB 3.29Å; P423-Q426 WeakPolarHBondContact O-CB 3.22Å; P423-Q426 PolarHBondContact O-N 2.93Å
424	K	97.4	Very high	96.5	Very high	173 Å²	173	41 Å²	41	75%	0.752	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.4	176.6	-67.2	-177.8	-179.4	178	0	114.2	G395	G395-K424 VanDerWaalsContact CA-O 3.31Å; G395-K424 WeakPolarHBondContact CA-O 3.38Å
425	T	97.5	Very high	96.6	Very high	97 Å²	97	43.9 Å²	43.9	60%	0.595	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-9.8	179.6	48.1	0	0	0	0	114	Q394 P423 L427	Q394-T425 PolarHBondContact NE2-O 2.93Å; P423-T425 PolarHBondContact O-N 3.34Å; P423-T425 VanDerWaalsContact O-N 3.08Å; T425-L427 PolarHBondContact O-N 3.24Å
426	Q	98.2	Very high	96.7	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.037	20%	0.197	C	C	.	.			trans	-56	131.9	-176.6	-178.9	61.7	61.3	0	0	111.2	I343 Q354 Q394 G395 F422 P423 W428	I343-Q426 PolarHBondContact O-NE2 3.32Å; Q354-Q426 VanDerWaalsContact NE2-OE1 3.09Å; Q394-Q426 WeakPolarHBondContact CA-O 3.22Å; G395-Q426 PolarHBondContact N-O 3.03Å; F422-Q426 HydrophobicContact CB-CB 3.93Å; F422-Q426 HydrophobicContact CB-CG 3.84Å; F422-Q426 HydrophobicContact CD1-CG 3.93Å; F422-Q426 HydrophobicContact CG-CG 3.89Å; P423-Q426 HydrophobicContact CG-CB 4.4Å; P423-Q426 VanDerWaalsContact O-CB 3.29Å; P423-Q426 WeakPolarHBondContact O-CB 3.22Å; P423-Q426 PolarHBondContact O-N 2.93Å; Q426-W428 HydrophobicContact CG-CD2 4.4Å; Q426-W428 HydrophobicContact CG-CZ2 3.98Å
427	L	98.4	Very high	96.8	Very high	25 Å²	25	36.5 Å²	36.5	13%	0.131	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	146.9	175.1	-57.9	-174.3	0	0	0	110.2	Y297 I343 E344 F357 I393 Q394 T425	Y297-L427 HydrophobicContact CD1-CD2 3.99Å; Y297-L427 HydrophobicContact CD2-CD2 4.5Å; Y297-L427 HydrophobicContact CE1-CD1 4.13Å; Y297-L427 HydrophobicContact CE1-CD2 3.66Å; Y297-L427 HydrophobicContact CE1-CG 4.36Å; Y297-L427 HydrophobicContact CE2-CD2 4.2Å; Y297-L427 HydrophobicContact CG-CD2 4.41Å; Y297-L427 WeakPolarHBondContact OH-CD1 3.37Å; I343-L427 HydrophobicContact CD1-CB 4.24Å; I343-L427 HydrophobicContact CG1-CB 3.85Å; I343-L427 PolarHBondContact N-O 2.93Å; E344-L427 HydrophobicContact CB-CD1 4.25Å; F357-L427 HydrophobicContact CZ-CD1 4.07Å; I393-L427 CarbonylContact O-C 3.47Å; I393-L427 WeakPolarHBondContact O-CA 3.35Å; Q394-L427 HydrophobicContact CB-CD2 3.89Å; Q394-L427 HydrophobicContact CG-CD2 3.81Å; T425-L427 PolarHBondContact O-N 3.24Å
428	W	98.4	Very high	96.8	Very high	1 Å²	1	36 Å²	36	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148.5	-178.6	-55.4	80.4	0	0	0	110.8	F300 L340 I341 P342 I393 G395 F397 P419 F422 Q426	F300-W428 AromaticContact CE2-CD1 3.83Å; F300-W428 AromaticContact CE2-CE2 4Å; F300-W428 HydrophobicContact CE2-CG 4.41Å; F300-W428 AromaticContact CE2-NE1 3.54Å; F300-W428 AromaticContact CZ-CD1 3.74Å; F300-W428 AromaticContact CZ-CD2 3.8Å; F300-W428 HydrophobicContact CZ-CD2 3.8Å; F300-W428 AromaticContact CZ-CE2 3.64Å; F300-W428 HydrophobicContact CZ-CE3 4.47Å; F300-W428 AromaticContact CZ-CG 3.86Å; F300-W428 HydrophobicContact CZ-CG 3.86Å; F300-W428 HydrophobicContact CZ-CZ2 4.2Å; F300-W428 AromaticContact CZ-NE1 3.59Å; L340-W428 HydrophobicContact CB-CE3 4.26Å; L340-W428 HydrophobicContact CB-CZ3 4.42Å; I341-W428 CarbonylContact O-C 3.59Å; I341-W428 VanDerWaalsContact O-CA 3.27Å; I341-W428 WeakPolarHBondContact O-CA 3.26Å; P342-W428 HydrophobicContact CB-CD2 4.35Å; P342-W428 HydrophobicContact CB-CE3 3.89Å; P342-W428 HydrophobicContact CB-CH2 4.24Å; P342-W428 HydrophobicContact CB-CZ3 3.83Å; P342-W428 HydrophobicContact CG-CE3 4.49Å; P342-W428 HydrophobicContact CG-CZ3 4.13Å; I393-W428 HydrophobicContact CB-CB 4.15Å; I393-W428 PolarHBondContact N-O 2.62Å; I393-W428 PolarHBondContact O-N 2.62Å; G395-W428 PolarHBondContact O-NE1 3.22Å; F397-W428 HydrophobicContact CB-CZ2 4.47Å; F397-W428 AromaticContact CD2-CH2 3.99Å; F397-W428 HydrophobicContact CD2-CH2 3.99Å; F397-W428 HydrophobicContact CD2-CZ2 4.25Å; P419-W428 HydrophobicContact CB-CH2 4.16Å; F422-W428 HydrophobicContact CB-CZ2 4.08Å; F422-W428 AromaticContact CD2-CH2 3.32Å; F422-W428 HydrophobicContact CD2-CH2 3.32Å; F422-W428 AromaticContact CD2-CZ2 3.41Å; F422-W428 HydrophobicContact CD2-CZ2 3.41Å; F422-W428 VanDerWaalsContact CD2-CZ2 3.41Å; F422-W428 HydrophobicContact CD2-CZ3 4.44Å; F422-W428 AromaticContact CE2-CH2 3.54Å; F422-W428 HydrophobicContact CE2-CH2 3.54Å; F422-W428 HydrophobicContact CE2-CZ2 4.07Å; F422-W428 HydrophobicContact CE2-CZ3 4.32Å; F422-W428 HydrophobicContact CG-CH2 4.27Å; F422-W428 AromaticContact CG-CZ2 3.95Å; F422-W428 HydrophobicContact CG-CZ2 3.95Å; Q426-W428 HydrophobicContact CG-CD2 4.4Å; Q426-W428 HydrophobicContact CG-CZ2 3.98Å
429	V	98.2	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.8	158.3	-178.5	0	0	0	0	108.6	I341 I343 V360 V390 H391 L392 L431	I341-V429 PolarHBondContact N-O 2.97Å; I341-V429 PolarHBondContact O-N 3.1Å; I343-V429 HydrophobicContact CD1-CG2 3.83Å; I343-V429 HydrophobicContact CG1-CG2 4.33Å; I343-V429 HydrophobicContact CG2-CG2 4.19Å; V360-V429 HydrophobicContact CB-CG2 4.31Å; V360-V429 HydrophobicContact CG1-CB 3.81Å; V360-V429 HydrophobicContact CG1-CG1 3.74Å; V360-V429 HydrophobicContact CG1-CG2 3.71Å; V390-V429 HydrophobicContact CG1-CG1 3.83Å; H391-V429 CarbonylContact O-C 3.58Å; H391-V429 WeakPolarHBondContact O-CA 3.38Å; L392-V429 HydrophobicContact CD2-CG2 3.91Å; V429-L431 HydrophobicContact CG1-CD2 3.76Å; V429-L431 HydrophobicContact CG1-CG 4.43Å
430	A	98.4	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	119	168.1	0	0	0	0	0	109.3	L303 I338 K339 L340 V390 H391 I393	L303-A430 HydrophobicContact CD2-CB 3.58Å; I338-A430 HydrophobicContact CG2-CB 3.91Å; K339-A430 WeakPolarHBondContact O-CA 3.26Å; L340-A430 HydrophobicContact CD2-CB 3.54Å; V390-A430 WeakPolarHBondContact CA-O 3.31Å; H391-A430 HydrophobicContact CB-CB 4.15Å; H391-A430 PolarHBondContact N-O 2.76Å; H391-A430 PolarHBondContact O-N 2.96Å; I393-A430 HydrophobicContact CD1-CB 3.88Å
431	L	98	Very high	96.7	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.7	171	-53	-176.7	0	0	0	108	I338 K339 I341 E363 V364 L387 V390 V429	I338-L431 VanDerWaalsContact CA-O 3.31Å; I338-L431 WeakPolarHBondContact CA-O 3.43Å; K339-L431 HydrophobicContact CB-CB 4.36Å; K339-L431 PolarHBondContact N-O 3.27Å; K339-L431 PolarHBondContact O-N 2.81Å; I341-L431 HydrophobicContact CD1-CD1 4.19Å; I341-L431 HydrophobicContact CD1-CG 4.48Å; E363-L431 HydrophobicContact CG-CD1 4.21Å; V364-L431 HydrophobicContact CG2-CD2 3.6Å; L387-L431 HydrophobicContact CD1-CB 4.02Å; L387-L431 HydrophobicContact CD1-CD2 4.47Å; V390-L431 HydrophobicContact CG1-CD2 4.01Å; V390-L431 HydrophobicContact CG2-CD2 4.18Å; V429-L431 HydrophobicContact CG1-CD2 3.76Å; V429-L431 HydrophobicContact CG1-CG 4.43Å
432	E	97.7	Very high	96.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115	177.9	-179.6	175.3	133.1	0	0	109.7	R308 V336 V337 I338 K388 K389 H391	R308-E432 IonicContact CZ-OE1 3.35Å; R308-E432 IonicContact CZ-OE2 2.75Å; R308-E432 IonicContact NH1-OE2 3.45Å; R308-E432 PolarHBondContact NH1-OE2 3.07Å; R308-E432 IonicContact NH2-OE1 2.8Å; R308-E432 PolarHBondContact NH2-OE1 3.32Å; R308-E432 IonicContact NH2-OE2 3.06Å; R308-E432 PolarHBondContact NH2-OE2 3.37Å; V336-E432 HydrophobicContact CB-CG 4.04Å; V336-E432 HydrophobicContact CG1-CG 4.28Å; V336-E432 HydrophobicContact CG2-CG 4.11Å; V337-E432 CarbonylContact O-C 3.48Å; V337-E432 WeakPolarHBondContact O-CA 3.41Å; I338-E432 HydrophobicContact CG1-CB 4.4Å; I338-E432 HydrophobicContact CG1-CG 4.31Å; K388-E432 WeakPolarHBondContact CA-O 3.44Å; K388-E432 WeakPolarHBondContact CB-O 3.38Å; K388-E432 PolarHBondContact N-O 2.68Å; K389-E432 HydrophobicContact CB-CB 4.13Å; K389-E432 PolarHBondContact N-O 3.45Å; K389-E432 IonicContact NZ-OE1 3.23Å; K389-E432 PolarHBondContact O-N 3.08Å; H391-E432 IonicContact NE2-OE2 2.62Å
433	S	97.5	Very high	96.4	Very high	17 Å²	17	38.9 Å²	38.9	12%	0.119	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	163.8	-171.7	-61.3	0	0	0	0	112.5	V336 V337 E386	V336-S433 WeakPolarHBondContact CA-O 3.25Å; V336-S433 WeakPolarHBondContact CB-O 3.44Å; V337-S433 PolarHBondContact N-O 2.91Å; V337-S433 PolarHBondContact O-N 2.79Å; E386-S433 CarbonylContact O-C 3.47Å; E386-S433 WeakPolarHBondContact O-CA 3.32Å; E386-S433 VanDerWaalsContact O-CB 3.25Å; E386-S433 WeakPolarHBondContact O-CB 3.42Å
434	A	96.1	Very high	96.3	Very high	19 Å²	19	38.1 Å²	38.1	16%	0.157	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	145	172.9	0	0	0	0	0	112.4	E386 C436	E386-A434 HydrophobicContact CB-CB 4.06Å; E386-A434 PolarHBondContact O-N 2.9Å; A434-C436 PolarHBondContact O-N 3.46Å
435	F	96.7	Very high	96.1	Very high	79 Å²	79	30 Å²	30	35%	0.346	17%	0.173	S	C	.	.			trans	-81.2	98.1	174	-178.9	-95.2	0	0	0	111.1	I315 R325 Y335 V337	I315-F435 HydrophobicContact CD1-CE2 4.2Å; R325-F435 HydrophobicContact CB-CD2 4.45Å; Y335-F435 WeakPolarHBondContact O-CB 3.45Å; V337-F435 HydrophobicContact CG2-CB 4.21Å; V337-F435 HydrophobicContact CG2-CD2 3.71Å; V337-F435 HydrophobicContact CG2-CG 4.43Å
436	C	95.3	Very high	95.8	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.047	18%	0.175	C	C	.	.			trans	-96.9	20.5	-172.1	-70.3	0	0	0	0	115.4	A434 L482 S484 H546	A434-C436 PolarHBondContact O-N 3.46Å; C436-L482 HydrophobicContact CB-CB 4.37Å; C436-L482 HydrophobicContact CB-CD1 3.81Å; C436-S484 WeakPolarHBondContact O-CB 3.38Å; C436-H546 HydrophobicContact CB-CB 3.78Å; C436-H546 PolarHBondContact SG-CD2 3.45Å; C436-H546 VanDerWaalsContact SG-CG 3.52Å
437	G	94.7	Very high	95.5	Very high	19 Å²	19	30.9 Å²	30.9	20%	0.196	17%	0.174	C	C	.	.			trans	101.3	-130.2	173.1	0	0	0	0	0	114.9	I483	G437-I483 WeakPolarHBondContact CA-O 3.4Å
438	V	95	Very high	95.3	Very high	65 Å²	65	29.8 Å²	29.8	39%	0.394	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.3	-171.4	-64.5	0	0	0	0	111.7	N443 L482 I483	V438-N443 HydrophobicContact CG2-CB 3.87Å; V438-N443 VanDerWaalsContact CG2-CG 3.45Å; V438-L482 CarbonylContact O-C 3.6Å; V438-L482 WeakPolarHBondContact O-CA 3.28Å; V438-I483 HydrophobicContact CG2-CG1 4.13Å; V438-I483 PolarHBondContact N-O 2.59Å; V438-I483 PolarHBondContact O-N 3.41Å
439	T	95.9	Very high	95	Very high	46 Å²	46	29.7 Å²	29.7	28%	0.282	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	139.2	-179.7	61.3	0	0	0	0	111.9	E441 N443 G479 L482	T439-E441 PolarHBondContact O-N 3Å; T439-N443 WeakPolarHBondContact O-CB 3.36Å; T439-N443 PolarHBondContact O-ND2 2.93Å; T439-G479 WeakPolarHBondContact CG2-O 3.45Å; T439-L482 HydrophobicContact CG2-CD2 3.85Å
440	L	96.5	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-64.3	-39.1	-178.5	176.5	62.6	0	0	0	112.1	N442 N443 V444 I454 V481 I483 L614	L440-N442 VanDerWaalsContact C-N 3.26Å; L440-N442 PolarHBondContact O-N 2.97Å; L440-N442 VanDerWaalsContact O-N 3.16Å; L440-N443 CarbonylContact O-C 3.6Å; L440-N443 PolarHBondContact O-N 2.89Å; L440-V444 HydrophobicContact CD1-CG2 4.48Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.03Å; L440-I454 HydrophobicContact CD1-CD1 4.19Å; L440-I454 HydrophobicContact CD2-CG2 4.07Å; L440-V481 HydrophobicContact CB-CB 3.98Å; L440-V481 HydrophobicContact CB-CG1 4.07Å; L440-V481 WeakPolarHBondContact CB-O 3.42Å; L440-V481 HydrophobicContact CD2-CB 4.07Å; L440-V481 HydrophobicContact CD2-CG1 3.8Å; L440-V481 PolarHBondContact N-O 3.39Å; L440-I483 HydrophobicContact CD1-CD1 4.07Å; L440-I483 HydrophobicContact CD1-CG2 4.22Å; L440-L614 HydrophobicContact CD1-CD2 4.28Å; L440-L614 HydrophobicContact CD2-CD1 4.26Å; L440-L614 HydrophobicContact CD2-CD2 4.25Å; L440-L614 HydrophobicContact CG-CD2 4.49Å
441	E	93.7	Very high	94.8	Very high	26 Å²	26	29.9 Å²	29.9	12%	0.121	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43	-47.1	177	175.8	168.4	-117.2	0	0	114.1	T439 W478	T439-E441 PolarHBondContact O-N 3Å; E441-W478 HydrophobicContact CB-CB 4.48Å; E441-W478 HydrophobicContact CB-CD2 4.11Å; E441-W478 HydrophobicContact CB-CG 3.9Å; E441-W478 HydrophobicContact CG-CD2 4.26Å; E441-W478 HydrophobicContact CG-CG 4.35Å; E441-W478 HydrophobicContact CG-CZ2 4.25Å; E441-W478 PolarHBondContact N-O 2.88Å; E441-W478 VanDerWaalsContact N-O 3.12Å; E441-W478 PolarHBondContact OE1-NE1 2.82Å
442	N	90.3	Very high	94.7	Very high	104 Å²	104	29.6 Å²	29.6	56%	0.556	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	3.9	-178.2	-69.4	-66.9	0	0	0	113.6	L440	L440-N442 VanDerWaalsContact C-N 3.26Å; L440-N442 PolarHBondContact O-N 2.97Å; L440-N442 VanDerWaalsContact O-N 3.16Å
443	N	94.3	Very high	94.6	Very high	68 Å²	68	29.5 Å²	29.5	36%	0.364	17%	0.166	S	C	.	.			trans	-139.3	29.5	-171.5	-61.1	-91.7	0	0	0	112.7	V438 T439 L440 P445 I483	V438-N443 HydrophobicContact CG2-CB 3.87Å; V438-N443 VanDerWaalsContact CG2-CG 3.45Å; T439-N443 WeakPolarHBondContact O-CB 3.36Å; T439-N443 PolarHBondContact O-ND2 2.93Å; L440-N443 CarbonylContact O-C 3.6Å; L440-N443 PolarHBondContact O-N 2.89Å; N443-P445 VanDerWaalsContact O-CD 3.31Å; N443-P445 WeakPolarHBondContact O-CD 3.38Å; N443-I483 HydrophobicContact CB-CD1 3.99Å; N443-I483 VanDerWaalsContact O-CD1 3.28Å; N443-I483 WeakPolarHBondContact O-CD1 3.28Å
444	V	94.3	Very high	94.6	Very high	38 Å²	38	28.7 Å²	28.7	23%	0.23	16%	0.161	C	C	.	.			trans	-56.9	120.4	-179.8	-178	0	0	0	0	110.6	L440 W478 L614	L440-V444 HydrophobicContact CD1-CG2 4.48Å; L440-V444 VanDerWaalsContact O-CG2 3.27Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.03Å; V444-W478 HydrophobicContact CG2-CE3 4.46Å; V444-W478 HydrophobicContact CG2-CZ3 4.37Å; V444-L614 HydrophobicContact CG1-CD2 3.67Å; V444-L614 HydrophobicContact CG2-CD2 4.43Å
445	P	93.1	Very high	94.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.013	15%	0.153	C	C	.	.			trans	-64.7	141.1	-178.5	-24.9	35.8	0	0	0	112.5	N443 C447 A450 R451 I454 I483 Y543	N443-P445 VanDerWaalsContact O-CD 3.31Å; N443-P445 WeakPolarHBondContact O-CD 3.38Å; P445-C447 VanDerWaalsContact C-N 3.28Å; P445-C447 PolarHBondContact O-N 3.38Å; P445-A450 HydrophobicContact CB-CB 3.79Å; P445-A450 HydrophobicContact CG-CB 4.2Å; P445-R451 PolarHBondContact O-NE 3.03Å; P445-R451 PolarHBondContact O-NH2 2.86Å; P445-I454 HydrophobicContact CG-CD1 3.72Å; P445-I483 HydrophobicContact CG-CD1 4.37Å; P445-Y543 HydrophobicContact CB-CD2 4.49Å; P445-Y543 HydrophobicContact CB-CE2 3.77Å; P445-Y543 HydrophobicContact CG-CD2 3.9Å; P445-Y543 HydrophobicContact CG-CE2 3.43Å; P445-Y543 VanDerWaalsContact CG-CE2 3.43Å
446	I	90.8	Very high	94.8	Very high	123 Å²	123	24 Å²	24	63%	0.631	14%	0.137	S	C	*	.	S	Bend	trans	-67.7	-31.3	175.6	-58.8	167.2	0	0	0	111.2
447	C	92.5	Very high	94.9	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.014	14%	0.135	C	C	.	.			trans	-75.4	123.4	-178.2	176	0	0	0	0	111.9	P445 C449 A450 R451 Y513 C514 H642	P445-C447 VanDerWaalsContact C-N 3.28Å; P445-C447 PolarHBondContact O-N 3.38Å; C447-C449 VanDerWaalsContact C-N 3.26Å; C447-C449 PolarHBondContact O-N 3.16Å; C447-C449 VanDerWaalsContact SG-CB 3.55Å; C447-C449 PolarHBondContact SG-N 2.84Å; C447-C449 VanDerWaalsContact SG-N 3.41Å; C447-A450 HydrophobicContact CB-CB 4.17Å; C447-A450 WeakPolarHBondContact O-CB 3.1Å; C447-A450 PolarHBondContact O-N 2.98Å; C447-R451 PolarHBondContact O-N 2.99Å; C447-R451 VanDerWaalsContact O-N 3.15Å; C447-Y513 HydrophobicContact CB-CD2 3.45Å; C447-Y513 VanDerWaalsContact CB-CD2 3.45Å; C447-Y513 HydrophobicContact CB-CE2 4.27Å; C447-Y513 HydrophobicContact CB-CG 3.9Å; C447-C514 VanDerWaalsContact SG-SG 3.6Å; C447-H642 PolarHBondContact SG-NE2 2.95Å; C447-H642 VanDerWaalsContact SG-NE2 3.42Å
448	P	93.6	Very high	95.1	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-25.7	178.3	28.5	-36.9	0	0	0	113.1	A450 R451 L452 H642 C645 W646 L649	P448-A450 VanDerWaalsContact C-N 3.35Å; P448-R451 PolarHBondContact O-N 2.83Å; P448-L452 VanDerWaalsContact O-CB 3.26Å; P448-L452 WeakPolarHBondContact O-CB 3.31Å; P448-L452 PolarHBondContact O-N 2.8Å; P448-H642 HydrophobicContact CG-CB 3.73Å; P448-H642 WeakPolarHBondContact CG-O 3.23Å; P448-C645 HydrophobicContact CB-CB 3.95Å; P448-C645 HydrophobicContact CG-CB 4.21Å; P448-W646 HydrophobicContact CB-CD2 3.72Å; P448-W646 HydrophobicContact CB-CE3 4.24Å; P448-W646 HydrophobicContact CB-CG 3.96Å; P448-W646 HydrophobicContact CB-CZ2 4.15Å; P448-W646 HydrophobicContact CG-CD2 4.33Å; P448-W646 HydrophobicContact CG-CG 4.25Å; P448-L649 HydrophobicContact CB-CD1 3.81Å
449	C	93.3	Very high	95.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-39.7	174.7	-46.7	0	0	0	0	111.1	C447 S453 C514 F541 C645	C447-C449 VanDerWaalsContact C-N 3.26Å; C447-C449 PolarHBondContact O-N 3.16Å; C447-C449 VanDerWaalsContact SG-CB 3.55Å; C447-C449 PolarHBondContact SG-N 2.84Å; C447-C449 VanDerWaalsContact SG-N 3.41Å; C449-S453 WeakPolarHBondContact O-CB 3.32Å; C449-S453 PolarHBondContact O-N 3.34Å; C449-C514 VanDerWaalsContact SG-SG 3.61Å; C449-F541 HydrophobicContact CB-CD1 3.43Å; C449-F541 VanDerWaalsContact CB-CD1 3.43Å; C449-F541 HydrophobicContact CB-CD2 4.12Å; C449-F541 HydrophobicContact CB-CE1 3.46Å; C449-F541 VanDerWaalsContact CB-CE1 3.46Å; C449-F541 HydrophobicContact CB-CE2 4.12Å; C449-F541 HydrophobicContact CB-CG 3.79Å; C449-F541 HydrophobicContact CB-CZ 3.83Å; C449-F541 WeakPolarHBondContact O-CD2 3.26Å; C449-C645 PolarHBondContact SG-SG 3.13Å
450	A	94.3	Very high	95.4	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.5	-46.7	172.7	0	0	0	0	0	112.1	P445 C447 P448 L452 S453 I454 F541 Y543	P445-A450 HydrophobicContact CB-CB 3.79Å; P445-A450 HydrophobicContact CG-CB 4.2Å; C447-A450 HydrophobicContact CB-CB 4.17Å; C447-A450 WeakPolarHBondContact O-CB 3.1Å; C447-A450 PolarHBondContact O-N 2.98Å; P448-A450 VanDerWaalsContact C-N 3.35Å; A450-L452 VanDerWaalsContact C-N 3.31Å; A450-L452 PolarHBondContact O-N 2.83Å; A450-S453 PolarHBondContact O-N 3.25Å; A450-I454 WeakPolarHBondContact O-CB 2.98Å; A450-I454 VanDerWaalsContact O-CG1 3.26Å; A450-I454 WeakPolarHBondContact O-CG1 3.48Å; A450-I454 PolarHBondContact O-N 3.12Å; A450-F541 HydrophobicContact CB-CB 3.88Å; A450-Y543 HydrophobicContact CB-CD2 3.95Å; A450-Y543 HydrophobicContact CB-CE2 4.19Å
451	R	96.5	Very high	95.5	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-57.1	-43.5	175	-63.2	-174.6	-174.6	-153.9	-3.4	112.6	P445 C447 P448 I454 L455 L614 D619 L649	P445-R451 PolarHBondContact O-NE 3.03Å; P445-R451 PolarHBondContact O-NH2 2.86Å; C447-R451 PolarHBondContact O-N 2.99Å; C447-R451 VanDerWaalsContact O-N 3.15Å; P448-R451 PolarHBondContact O-N 2.83Å; R451-I454 PolarHBondContact O-N 3.05Å; R451-L455 PolarHBondContact O-N 2.92Å; R451-L455 VanDerWaalsContact O-N 3.13Å; R451-L614 HydrophobicContact CB-CB 4.49Å; R451-L614 VanDerWaalsContact CD-O 3.28Å; R451-L614 WeakPolarHBondContact CD-O 3.05Å; R451-L614 HydrophobicContact CG-CD2 4.34Å; R451-L614 PolarHBondContact NH1-O 3.31Å; R451-D619 IonicContact CZ-OD2 2.68Å; R451-D619 IonicContact NH1-OD2 3.96Å; R451-D619 PolarHBondContact NH1-OD2 3.48Å; R451-D619 IonicContact NH2-OD1 2.68Å; R451-D619 IonicContact NH2-OD2 2.7Å; R451-D619 PolarHBondContact NH2-OD2 2.74Å; R451-L649 HydrophobicContact CB-CD1 4.01Å; R451-L649 HydrophobicContact CB-CD2 4.14Å
452	L	96	Very high	95.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.8	-43.8	179.4	-177	55.3	0	0	0	111.4	P448 A450 I454 L455 L456 C645 Q648 L649 L652 I674 F678	P448-L452 VanDerWaalsContact O-CB 3.26Å; P448-L452 WeakPolarHBondContact O-CB 3.31Å; P448-L452 PolarHBondContact O-N 2.8Å; A450-L452 VanDerWaalsContact C-N 3.31Å; A450-L452 PolarHBondContact O-N 2.83Å; L452-I454 VanDerWaalsContact C-N 3.34Å; L452-I454 PolarHBondContact O-N 3.2Å; L452-L455 PolarHBondContact O-N 2.81Å; L452-L456 HydrophobicContact CD1-CD1 4.46Å; L452-L456 HydrophobicContact CG-CD1 4.28Å; L452-L456 VanDerWaalsContact O-CG 3.28Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 2.8Å; L452-C645 HydrophobicContact CD2-CB 3.99Å; L452-Q648 HydrophobicContact CD1-CB 4.23Å; L452-Q648 HydrophobicContact CD2-CB 3.67Å; L452-Q648 HydrophobicContact CD2-CG 4.27Å; L452-L649 HydrophobicContact CB-CD2 4.08Å; L452-L649 HydrophobicContact CB-CG 4.28Å; L452-L649 HydrophobicContact CD1-CD2 4.25Å; L452-L652 HydrophobicContact CD1-CD1 3.45Å; L452-L652 VanDerWaalsContact CD1-CD1 3.45Å; L452-I674 HydrophobicContact CD1-CG2 4.21Å; L452-F678 HydrophobicContact CD2-CD2 4.37Å; L452-F678 HydrophobicContact CD2-CE2 3.64Å; L452-F678 HydrophobicContact CG-CD2 4.48Å; L452-F678 HydrophobicContact CG-CE2 3.68Å; L452-F678 HydrophobicContact CG-CZ 4.27Å
453	S	96	Very high	96.2	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-58.7	-43.8	172.7	176.4	0	0	0	0	112.4	C449 A450 L455 L456 Q457 P539	C449-S453 WeakPolarHBondContact O-CB 3.32Å; C449-S453 PolarHBondContact O-N 3.34Å; A450-S453 PolarHBondContact O-N 3.25Å; S453-L455 PolarHBondContact O-N 2.9Å; S453-L456 PolarHBondContact O-N 3.31Å; S453-L456 VanDerWaalsContact O-N 3.14Å; S453-Q457 VanDerWaalsContact O-CG 3.32Å; S453-Q457 WeakPolarHBondContact O-CG 3.31Å; S453-Q457 PolarHBondContact O-N 3.1Å; S453-Q457 PolarHBondContact OG-NE2 3.33Å; S453-P539 VanDerWaalsContact CB-O 3.28Å; S453-P539 WeakPolarHBondContact CB-O 3.41Å; S453-P539 PolarHBondContact OG-O 3.34Å
454	I	97.7	Very high	96.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-55.3	-51	176.1	-73.6	163.3	0	0	0	110.5	L440 P445 A450 R451 L452 L456 Q457 I458 I483 V545 L614	L440-I454 HydrophobicContact CD1-CD1 4.19Å; L440-I454 HydrophobicContact CD2-CG2 4.07Å; P445-I454 HydrophobicContact CG-CD1 3.72Å; A450-I454 WeakPolarHBondContact O-CB 2.98Å; A450-I454 VanDerWaalsContact O-CG1 3.26Å; A450-I454 WeakPolarHBondContact O-CG1 3.48Å; A450-I454 PolarHBondContact O-N 3.12Å; R451-I454 PolarHBondContact O-N 3.05Å; L452-I454 VanDerWaalsContact C-N 3.34Å; L452-I454 PolarHBondContact O-N 3.2Å; I454-L456 VanDerWaalsContact C-N 3.33Å; I454-L456 PolarHBondContact O-N 3.33Å; I454-Q457 PolarHBondContact O-N 3.19Å; I454-I458 HydrophobicContact CG2-CD1 3.86Å; I454-I458 VanDerWaalsContact O-CG1 3.25Å; I454-I458 WeakPolarHBondContact O-CG1 3.47Å; I454-I458 PolarHBondContact O-N 2.62Å; I454-I483 HydrophobicContact CD1-CG2 4Å; I454-I483 HydrophobicContact CG1-CG2 4.27Å; I454-V545 HydrophobicContact CB-CG2 3.96Å; I454-V545 HydrophobicContact CG1-CG2 3.76Å; I454-V545 HydrophobicContact CG2-CG2 3.85Å; I454-L614 HydrophobicContact CG2-CD1 4.2Å
455	L	98.4	Very high	96.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-59.2	-41.2	176.7	-74.6	164.1	0	0	0	112.7	R451 L452 S453 I458 G459 F607 L610 T611 L614 L649 L652	R451-L455 PolarHBondContact O-N 2.92Å; R451-L455 VanDerWaalsContact O-N 3.13Å; L452-L455 PolarHBondContact O-N 2.81Å; S453-L455 PolarHBondContact O-N 2.9Å; L455-I458 PolarHBondContact O-N 2.79Å; L455-G459 PolarHBondContact O-N 2.88Å; L455-F607 HydrophobicContact CB-CZ 4.14Å; L455-F607 HydrophobicContact CD2-CE2 4.36Å; L455-F607 HydrophobicContact CD2-CZ 4.15Å; L455-F607 VanDerWaalsContact O-CE2 3.24Å; L455-F607 WeakPolarHBondContact O-CE2 3.46Å; L455-L610 HydrophobicContact CD2-CB 3.95Å; L455-T611 HydrophobicContact CD1-CG2 4.07Å; L455-T611 HydrophobicContact CD2-CG2 3.77Å; L455-L614 HydrophobicContact CD1-CB 4.32Å; L455-L614 HydrophobicContact CD1-CD1 4.03Å; L455-L614 HydrophobicContact CD2-CD1 3.9Å; L455-L614 HydrophobicContact CG-CD1 3.65Å; L455-L649 HydrophobicContact CD1-CD2 3.49Å; L455-L649 VanDerWaalsContact CD1-CD2 3.49Å; L455-L652 HydrophobicContact CB-CD1 4.33Å; L455-L652 HydrophobicContact CD1-CD1 4.16Å
456	L	98.1	Very high	96.8	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-67.8	-40.2	179.7	-65.4	171.2	0	0	0	112.4	L452 S453 I454 I458 G459 I460 I538 I674 F675 F678	L452-L456 HydrophobicContact CD1-CD1 4.46Å; L452-L456 HydrophobicContact CG-CD1 4.28Å; L452-L456 VanDerWaalsContact O-CG 3.28Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 2.8Å; S453-L456 PolarHBondContact O-N 3.31Å; S453-L456 VanDerWaalsContact O-N 3.14Å; I454-L456 VanDerWaalsContact C-N 3.33Å; I454-L456 PolarHBondContact O-N 3.33Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.87Å; L456-G459 PolarHBondContact O-N 2.7Å; L456-I460 WeakPolarHBondContact O-CG1 3.39Å; L456-I460 PolarHBondContact O-N 3.16Å; L456-I538 HydrophobicContact CB-CD1 4.29Å; L456-I538 HydrophobicContact CB-CG2 4.09Å; L456-I674 HydrophobicContact CD2-CG2 4.42Å; L456-F675 HydrophobicContact CB-CE1 4.3Å; L456-F675 HydrophobicContact CD2-CB 4.32Å; L456-F675 HydrophobicContact CD2-CD1 3.37Å; L456-F675 HydrophobicContact CD2-CD2 3.77Å; L456-F675 HydrophobicContact CD2-CE1 3.46Å; L456-F675 VanDerWaalsContact CD2-CE1 3.46Å; L456-F675 HydrophobicContact CD2-CE2 3.86Å; L456-F675 HydrophobicContact CD2-CG 3.54Å; L456-F675 HydrophobicContact CD2-CZ 3.72Å; L456-F675 HydrophobicContact CG-CE1 4.44Å; L456-F678 HydrophobicContact CD1-CB 3.91Å; L456-F678 HydrophobicContact CD1-CD1 3.33Å; L456-F678 HydrophobicContact CD1-CD2 3.29Å; L456-F678 HydrophobicContact CD1-CE1 3.49Å; L456-F678 VanDerWaalsContact CD1-CE1 3.49Å; L456-F678 HydrophobicContact CD1-CE2 3.45Å; L456-F678 VanDerWaalsContact CD1-CE2 3.45Å; L456-F678 HydrophobicContact CD1-CG 3.22Å; L456-F678 HydrophobicContact CD1-CZ 3.54Å
457	Q	98.3	Very high	97.1	Very high	2 Å²	2	4.3 Å²	4.3	1%	0.009	2%	0.022	C	C	.	.	H	α-helix	trans	-60.4	-42.2	173.3	-68.4	178.5	50.9	0	0	111.4	S453 I454 S461 V527 F529 I538 Y543 V545	S453-Q457 VanDerWaalsContact O-CG 3.32Å; S453-Q457 WeakPolarHBondContact O-CG 3.31Å; S453-Q457 PolarHBondContact O-N 3.1Å; S453-Q457 PolarHBondContact OG-NE2 3.33Å; I454-Q457 PolarHBondContact O-N 3.19Å; Q457-S461 WeakPolarHBondContact O-CB 3.46Å; Q457-S461 PolarHBondContact O-N 2.93Å; Q457-S461 VanDerWaalsContact O-N 3.1Å; Q457-S461 PolarHBondContact O-OG 3.48Å; Q457-V527 HydrophobicContact CG-CB 4.48Å; Q457-V527 HydrophobicContact CG-CG2 4.4Å; Q457-F529 HydrophobicContact CB-CE2 4.49Å; Q457-F529 HydrophobicContact CB-CZ 3.91Å; Q457-F529 HydrophobicContact CG-CE2 4.13Å; Q457-F529 HydrophobicContact CG-CZ 3.92Å; Q457-I538 HydrophobicContact CG-CB 4.38Å; Q457-I538 HydrophobicContact CG-CG2 3.99Å; Q457-Y543 PolarHBondContact NE2-O 3.02Å; Q457-Y543 VanDerWaalsContact NE2-O 3.09Å; Q457-V545 HydrophobicContact CB-CB 4.13Å; Q457-V545 HydrophobicContact CB-CG2 4.01Å
458	I	98.9	Very high	97.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64.6	-50.4	176.7	-65.2	170.2	0	0	0	110.8	I454 L455 L456 I460 S461 L462 L476 V481 V545 L547 F607 L610	I454-I458 HydrophobicContact CG2-CD1 3.86Å; I454-I458 VanDerWaalsContact O-CG1 3.25Å; I454-I458 WeakPolarHBondContact O-CG1 3.47Å; I454-I458 PolarHBondContact O-N 2.62Å; L455-I458 PolarHBondContact O-N 2.79Å; L456-I458 VanDerWaalsContact C-N 3.33Å; L456-I458 PolarHBondContact O-N 2.87Å; I458-I460 PolarHBondContact O-N 2.95Å; I458-S461 PolarHBondContact O-N 3.39Å; I458-S461 VanDerWaalsContact O-N 3.16Å; I458-L462 HydrophobicContact CG2-CD1 3.9Å; I458-L462 HydrophobicContact CG2-CG 4.41Å; I458-L462 WeakPolarHBondContact O-CG 3.44Å; I458-L462 PolarHBondContact O-N 3.41Å; I458-L476 HydrophobicContact CG2-CD2 4.16Å; I458-V481 HydrophobicContact CD1-CG1 3.85Å; I458-V481 HydrophobicContact CD1-CG2 4.16Å; I458-V545 HydrophobicContact CD1-CG1 4.17Å; I458-V545 HydrophobicContact CG1-CG1 3.7Å; I458-L547 HydrophobicContact CG1-CD2 4.05Å; I458-L547 HydrophobicContact CG2-CD1 4.45Å; I458-L547 HydrophobicContact CG2-CD2 4.39Å; I458-F607 HydrophobicContact CG2-CD2 4.22Å; I458-F607 HydrophobicContact CG2-CE2 4.43Å; I458-L610 HydrophobicContact CD1-CD1 3.85Å; I458-L610 HydrophobicContact CG2-CD1 3.98Å
459	G	98.6	Very high	97.2	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-60.8	-42.5	-176.6	0	0	0	0	0	112.8	L455 L456 A463 V669	L455-G459 PolarHBondContact O-N 2.88Å; L456-G459 PolarHBondContact O-N 2.7Å; G459-A463 WeakPolarHBondContact O-CB 3.37Å; G459-A463 PolarHBondContact O-N 2.9Å; G459-V669 WeakPolarHBondContact O-CG2 3.44Å
460	I	98.5	Very high	97.4	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69	-37.7	176.9	-63.9	166.2	0	0	0	111.2	L456 I458 A463 V464 F529 W536 I538 V669 F675	L456-I460 WeakPolarHBondContact O-CG1 3.39Å; L456-I460 PolarHBondContact O-N 3.16Å; I458-I460 PolarHBondContact O-N 2.95Å; I460-A463 PolarHBondContact O-N 3.29Å; I460-V464 HydrophobicContact CG2-CG2 4.49Å; I460-V464 WeakPolarHBondContact O-CG2 3.13Å; I460-V464 PolarHBondContact O-N 2.94Å; I460-F529 HydrophobicContact CB-CD1 4.49Å; I460-F529 HydrophobicContact CB-CG 4.33Å; I460-F529 HydrophobicContact CD1-CD2 4.33Å; I460-F529 HydrophobicContact CG2-CB 3.5Å; I460-F529 HydrophobicContact CG2-CD1 3.87Å; I460-F529 HydrophobicContact CG2-CD2 4.08Å; I460-F529 HydrophobicContact CG2-CG 3.55Å; I460-W536 HydrophobicContact CD1-CB 4.07Å; I460-W536 HydrophobicContact CD1-CD2 4.49Å; I460-W536 HydrophobicContact CD1-CE3 4.17Å; I460-W536 HydrophobicContact CD1-CG 4.5Å; I460-I538 HydrophobicContact CD1-CD1 3.66Å; I460-I538 HydrophobicContact CD1-CG1 3.63Å; I460-V669 HydrophobicContact CG1-CG1 3.88Å; I460-V669 HydrophobicContact CG1-CG2 4.09Å; I460-F675 HydrophobicContact CD1-CD1 4.27Å; I460-F675 HydrophobicContact CG1-CD1 3.93Å; I460-F675 HydrophobicContact CG1-CE1 4.13Å
461	S	98.9	Very high	97.6	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.007	5%	0.049	C	C	.	.	H	α-helix	trans	-64.2	-43.8	177.1	-59.5	0	0	0	0	112.2	T381 G383 F384 Q457 I458 V464 A465 F529	T381-S461 PolarHBondContact OG1-OG 2.78Å; G383-S461 WeakPolarHBondContact CA-OG 3.37Å; F384-S461 WeakPolarHBondContact CE2-O 3.47Å; Q457-S461 WeakPolarHBondContact O-CB 3.46Å; Q457-S461 PolarHBondContact O-N 2.93Å; Q457-S461 VanDerWaalsContact O-N 3.1Å; Q457-S461 PolarHBondContact O-OG 3.48Å; I458-S461 PolarHBondContact O-N 3.39Å; I458-S461 VanDerWaalsContact O-N 3.16Å; S461-V464 PolarHBondContact O-N 3.09Å; S461-A465 PolarHBondContact O-N 3.05Å; S461-A465 VanDerWaalsContact O-N 3.09Å; S461-F529 WeakPolarHBondContact OG-CE1 3.49Å
462	L	98.9	Very high	97.7	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.9	-44.2	172.4	-67.8	171.1	0	0	0	111.6	I458 V464 A465 E466 F471 L476 L547 N603 F607 A665	I458-L462 HydrophobicContact CG2-CD1 3.9Å; I458-L462 HydrophobicContact CG2-CG 4.41Å; I458-L462 WeakPolarHBondContact O-CG 3.44Å; I458-L462 PolarHBondContact O-N 3.41Å; L462-V464 VanDerWaalsContact C-N 3.33Å; L462-V464 PolarHBondContact O-N 3.35Å; L462-A465 PolarHBondContact O-N 2.96Å; L462-E466 WeakPolarHBondContact O-CB 3.48Å; L462-E466 WeakPolarHBondContact O-CG 3.37Å; L462-E466 PolarHBondContact O-N 3.39Å; L462-F471 HydrophobicContact CD2-CD1 4.4Å; L462-F471 HydrophobicContact CD2-CE1 4.12Å; L462-L476 HydrophobicContact CD1-CD2 3.79Å; L462-L476 HydrophobicContact CD2-CD2 4.03Å; L462-L476 HydrophobicContact CG-CD2 4.35Å; L462-L547 HydrophobicContact CD2-CD1 4.07Å; L462-L547 HydrophobicContact CG-CD1 4.34Å; L462-N603 HydrophobicContact CD1-CB 4.39Å; L462-F607 HydrophobicContact CD1-CD2 4.43Å; L462-A665 HydrophobicContact CB-CB 3.54Å
463	A	98.7	Very high	97.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61	-38.1	177.5	0	0	0	0	0	113.5	G459 I460 L467 L531 V669	G459-A463 WeakPolarHBondContact O-CB 3.37Å; G459-A463 PolarHBondContact O-N 2.9Å; I460-A463 PolarHBondContact O-N 3.29Å; A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 PolarHBondContact O-N 3.35Å; A463-L531 HydrophobicContact CB-CD1 4.28Å; A463-L531 HydrophobicContact CB-CD2 3.79Å; A463-V669 HydrophobicContact CB-CB 4.14Å; A463-V669 HydrophobicContact CB-CG2 3.76Å
464	V	98.5	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66.5	-44.6	174.8	168.2	0	0	0	0	111.1	L373 N379 T381 I460 S461 L462 L467 E468 R530 L531	L373-V464 HydrophobicContact CD1-CG1 4.38Å; L373-V464 HydrophobicContact CD2-CG1 4.47Å; N379-V464 HydrophobicContact CB-CG1 4.2Å; T381-V464 HydrophobicContact CG2-CB 3.94Å; T381-V464 HydrophobicContact CG2-CG1 3.69Å; I460-V464 HydrophobicContact CG2-CG2 4.49Å; I460-V464 WeakPolarHBondContact O-CG2 3.13Å; I460-V464 PolarHBondContact O-N 2.94Å; S461-V464 PolarHBondContact O-N 3.09Å; L462-V464 VanDerWaalsContact C-N 3.33Å; L462-V464 PolarHBondContact O-N 3.35Å; V464-L467 PolarHBondContact O-N 2.96Å; V464-E468 PolarHBondContact O-N 3.13Å; V464-E468 VanDerWaalsContact O-N 3.08Å; V464-R530 WeakPolarHBondContact CG2-O 3.47Å; V464-L531 HydrophobicContact CB-CD1 4.45Å; V464-L531 HydrophobicContact CG2-CB 4.29Å; V464-L531 HydrophobicContact CG2-CD1 3.75Å
465	A	98.5	Very high	97.9	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-70	-37	179.8	0	0	0	0	0	112.9	L370 L373 F384 S461 L462 L467 L469 K470 F471	L370-A465 HydrophobicContact CD2-CB 4.01Å; L373-A465 HydrophobicContact CD1-CB 3.76Å; F384-A465 HydrophobicContact CE2-CB 3.79Å; F384-A465 HydrophobicContact CZ-CB 3.63Å; S461-A465 PolarHBondContact O-N 3.05Å; S461-A465 VanDerWaalsContact O-N 3.09Å; L462-A465 PolarHBondContact O-N 2.96Å; A465-L467 VanDerWaalsContact C-N 3.34Å; A465-L467 PolarHBondContact O-N 2.89Å; A465-L469 CarbonylContact O-C 3.54Å; A465-L469 WeakPolarHBondContact O-CA 3.23Å; A465-L469 WeakPolarHBondContact O-CB 3.34Å; A465-L469 PolarHBondContact O-N 3.13Å; A465-K470 PolarHBondContact O-N 2.83Å; A465-F471 HydrophobicContact CB-CB 3.64Å; A465-F471 HydrophobicContact CB-CD1 3.65Å; A465-F471 HydrophobicContact CB-CG 3.84Å; A465-F471 WeakPolarHBondContact O-CB 3.46Å; A465-F471 PolarHBondContact O-N 3Å
466	E	98.2	Very high	97.9	Very high	11 Å²	11	10.6 Å²	10.6	5%	0.051	5%	0.05	C	C	.	.	H	α-helix	trans	-58	-46	170.8	-79.8	-179.9	179	0	0	111.7	L462 K470 P600 N603 S664 A665 Y666	L462-E466 WeakPolarHBondContact O-CB 3.48Å; L462-E466 WeakPolarHBondContact O-CG 3.37Å; L462-E466 PolarHBondContact O-N 3.39Å; E466-K470 VanDerWaalsContact O-CA 3.31Å; E466-K470 WeakPolarHBondContact O-CA 3.38Å; E466-K470 PolarHBondContact O-N 2.8Å; E466-P600 HydrophobicContact CG-CB 4.37Å; E466-N603 WeakPolarHBondContact CG-ND2 3.38Å; E466-N603 PolarHBondContact OE1-ND2 3.26Å; E466-S664 WeakPolarHBondContact OE2-CB 3.34Å; E466-S664 PolarHBondContact OE2-OG 3.19Å; E466-A665 VanDerWaalsContact CD-N 3.26Å; E466-A665 VanDerWaalsContact OE1-CB 3.32Å; E466-A665 WeakPolarHBondContact OE1-CB 3.45Å; E466-A665 PolarHBondContact OE1-N 3.35Å; E466-A665 PolarHBondContact OE2-N 3.23Å; E466-Y666 WeakPolarHBondContact OE2-CB 3.36Å; E466-Y666 PolarHBondContact OE2-N 3.43Å
467	L	96.7	Very high	97.9	Very high	70 Å²	70	11.1 Å²	11.1	37%	0.366	5%	0.053	S	C	.	.	H	α-helix	trans	-74.2	-35	-173.4	-174	61.4	0	0	0	113.3	N379 A463 V464 A465 L531 Y666	N379-L467 WeakPolarHBondContact ND2-CD2 3.32Å; N379-L467 WeakPolarHBondContact OD1-CD2 3.21Å; A463-L467 WeakPolarHBondContact O-CB 3.44Å; A463-L467 PolarHBondContact O-N 3.35Å; V464-L467 PolarHBondContact O-N 2.96Å; A465-L467 VanDerWaalsContact C-N 3.34Å; A465-L467 PolarHBondContact O-N 2.89Å; L467-L531 HydrophobicContact CD2-CD1 3.85Å; L467-Y666 HydrophobicContact CB-CD2 4.48Å; L467-Y666 HydrophobicContact CD2-CD2 4.16Å; L467-Y666 HydrophobicContact CD2-CE2 3.8Å
468	E	94.3	Very high	97.8	Very high	41 Å²	41	13.1 Å²	13.1	19%	0.192	6%	0.06	C	C	.	.	H	α-helix	trans	-91	-29.7	179.8	-68.9	-79.9	124.5	0	0	113.8	R265 L373 N379 V464 Q557	R265-E468 IonicContact CZ-OE2 3.84Å; R265-E468 IonicContact NH1-OE2 3.91Å; R265-E468 PolarHBondContact NH1-OE2 2.88Å; R265-E468 IonicContact NH2-OE2 3.03Å; R265-E468 PolarHBondContact NH2-OE2 2.76Å; L373-E468 HydrophobicContact CD2-CB 3.73Å; L373-E468 HydrophobicContact CD2-CG 4.03Å; N379-E468 HydrophobicContact CB-CG 3.54Å; N379-E468 WeakPolarHBondContact CB-OE1 3.26Å; N379-E468 PolarHBondContact ND2-OE1 2.85Å; V464-E468 PolarHBondContact O-N 3.13Å; V464-E468 VanDerWaalsContact O-N 3.08Å; E468-Q557 PolarHBondContact O-NE2 3.37Å; E468-Q557 VanDerWaalsContact O-NE2 3.13Å
469	L	95	Very high	97.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-133.3	5.5	-166.4	-55.7	175.7	0	0	0	114.7	E369 L370 L373 A465 F471 L555 E556 Q557	E369-L469 HydrophobicContact CB-CD1 4.04Å; E369-L469 HydrophobicContact CB-CD2 4.36Å; L370-L469 HydrophobicContact CD2-CD1 4.08Å; L373-L469 HydrophobicContact CD1-CD1 3.94Å; L373-L469 HydrophobicContact CD2-CD1 4.03Å; L373-L469 HydrophobicContact CD2-CG 4.21Å; L373-L469 HydrophobicContact CG-CD1 4.09Å; A465-L469 CarbonylContact O-C 3.54Å; A465-L469 WeakPolarHBondContact O-CA 3.23Å; A465-L469 WeakPolarHBondContact O-CB 3.34Å; A465-L469 PolarHBondContact O-N 3.13Å; L469-F471 HydrophobicContact CB-CB 4.39Å; L469-F471 PolarHBondContact O-N 2.81Å; L469-F471 VanDerWaalsContact O-N 3.11Å; L469-L555 HydrophobicContact CB-CB 4.28Å; L469-L555 HydrophobicContact CD1-CD2 4.42Å; L469-L555 CarbonylContact O-C 3.5Å; L469-L555 WeakPolarHBondContact O-CA 3.4Å; L469-L555 WeakPolarHBondContact O-CB 3.32Å; L469-E556 CarbonylContact C-O 3.6Å; L469-E556 PolarHBondContact O-N 2.8Å; L469-E556 VanDerWaalsContact O-O 3.14Å; L469-Q557 HydrophobicContact CD2-CB 4.09Å; L469-Q557 VanDerWaalsContact CD2-CD 3.44Å; L469-Q557 HydrophobicContact CD2-CG 4.36Å; L469-Q557 VanDerWaalsContact CD2-OE1 3.26Å
470	K	96.9	Very high	97.6	Very high	87 Å²	87	14.3 Å²	14.3	38%	0.378	7%	0.068	S	C	.	.			trans	46.5	43.3	-172.2	-59.4	177.3	-177.1	179.1	0	112.1	A465 E466 R554 E556 F598	A465-K470 PolarHBondContact O-N 2.83Å; E466-K470 VanDerWaalsContact O-CA 3.31Å; E466-K470 WeakPolarHBondContact O-CA 3.38Å; E466-K470 PolarHBondContact O-N 2.8Å; K470-R554 PolarHBondContact O-NH1 3.03Å; K470-E556 HydrophobicContact CB-CB 4.21Å; K470-E556 HydrophobicContact CD-CB 4.06Å; K470-E556 HydrophobicContact CD-CG 4.2Å; K470-E556 WeakPolarHBondContact CD-OE2 3.47Å; K470-E556 IonicContact NZ-OE1 2.7Å; K470-E556 PolarHBondContact NZ-OE1 3.06Å; K470-E556 IonicContact NZ-OE2 3.84Å; K470-F598 HydrophobicContact CB-CD1 4Å; K470-F598 HydrophobicContact CB-CD2 3.99Å; K470-F598 HydrophobicContact CB-CE1 3.92Å; K470-F598 HydrophobicContact CB-CE2 3.93Å; K470-F598 HydrophobicContact CB-CG 4.04Å; K470-F598 HydrophobicContact CB-CZ 3.88Å; K470-F598 HydrophobicContact CD-CD1 4.35Å; K470-F598 HydrophobicContact CG-CD1 4.18Å; K470-F598 HydrophobicContact CG-CE1 4.08Å; K470-F598 HydrophobicContact CG-CZ 4.45Å; K470-F598 VanDerWaalsContact O-CD2 3.23Å; K470-F598 WeakPolarHBondContact O-CD2 3.49Å; K470-F598 WeakPolarHBondContact O-CE2 3.37Å
471	F	98.3	Very high	97.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.068	C	C	.	.			trans	-75.6	139.2	-170	177.9	-108.9	0	0	0	113.1	V366 L370 F384 L462 A465 L469 H473 F550 R554 L555 N603	V366-F471 HydrophobicContact CG1-CE2 3.9Å; L370-F471 HydrophobicContact CD1-CD2 4.49Å; L370-F471 HydrophobicContact CD1-CE2 3.76Å; L370-F471 HydrophobicContact CD1-CZ 3.91Å; L370-F471 HydrophobicContact CD2-CD1 4.49Å; L370-F471 HydrophobicContact CD2-CD2 4.03Å; L370-F471 HydrophobicContact CD2-CE2 4.06Å; L370-F471 HydrophobicContact CD2-CG 4.25Å; L370-F471 HydrophobicContact CD2-CZ 4.29Å; L370-F471 HydrophobicContact CG-CE2 4.35Å; F384-F471 HydrophobicContact CE1-CD1 4.49Å; F384-F471 AromaticContact CE1-CE1 3.77Å; F384-F471 HydrophobicContact CE1-CE1 3.77Å; F384-F471 HydrophobicContact CE1-CZ 4.11Å; F384-F471 HydrophobicContact CZ-CD1 4.33Å; F384-F471 HydrophobicContact CZ-CE1 4.04Å; L462-F471 HydrophobicContact CD2-CD1 4.4Å; L462-F471 HydrophobicContact CD2-CE1 4.12Å; A465-F471 HydrophobicContact CB-CB 3.64Å; A465-F471 HydrophobicContact CB-CD1 3.65Å; A465-F471 HydrophobicContact CB-CG 3.84Å; A465-F471 WeakPolarHBondContact O-CB 3.46Å; A465-F471 PolarHBondContact O-N 3Å; L469-F471 HydrophobicContact CB-CB 4.39Å; L469-F471 PolarHBondContact O-N 2.81Å; L469-F471 VanDerWaalsContact O-N 3.11Å; F471-H473 HydrophobicContact CE1-CB 3.76Å; F471-H473 HydrophobicContact CZ-CB 3.86Å; F471-F550 HydrophobicContact CZ-CD1 4.36Å; F471-R554 CarbonylContact C-O 3.52Å; F471-R554 WeakPolarHBondContact CA-O 3.42Å; F471-L555 HydrophobicContact CD2-CB 4.39Å; F471-N603 PolarHBondContact O-ND2 2.74Å
472	E	98.7	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	B	Isolated β-bridge	trans	-127.4	127	162.7	-61.4	175.9	-131.1	0	0	109.2	R474 S553 R554 F598 T599 T602 N603	E472-R474 HydrophobicContact CB-CG 3.83Å; E472-R474 VanDerWaalsContact CD-NH2 3.34Å; E472-R474 IonicContact OE1-CZ 3.1Å; E472-R474 IonicContact OE1-NE 2.68Å; E472-R474 IonicContact OE1-NH2 2.74Å; E472-R474 PolarHBondContact OE1-NH2 3.31Å; E472-R474 IonicContact OE2-CZ 3.35Å; E472-R474 IonicContact OE2-NE 3.4Å; E472-R474 PolarHBondContact OE2-NE 2.6Å; E472-R474 IonicContact OE2-NH2 2.67Å; E472-R474 PolarHBondContact OE2-NH2 2.98Å; E472-R474 VanDerWaalsContact OE2-NH2 3.13Å; E472-S553 WeakPolarHBondContact O-CA 3.31Å; E472-S553 WeakPolarHBondContact O-CB 3.47Å; E472-R554 HydrophobicContact CB-CB 4.39Å; E472-R554 PolarHBondContact N-O 3.19Å; E472-R554 PolarHBondContact O-N 3.16Å; E472-R554 WeakPolarHBondContact OE1-CD 3.43Å; E472-R554 IonicContact OE1-NE 3.58Å; E472-F598 HydrophobicContact CG-CD2 4.06Å; E472-F598 HydrophobicContact CG-CE2 4.08Å; E472-T599 PolarHBondContact OE1-N 3.21Å; E472-T602 VanDerWaalsContact CD-OG1 3.29Å; E472-T602 VanDerWaalsContact CG-OG1 3.32Å; E472-T602 WeakPolarHBondContact CG-OG1 3.33Å; E472-T602 WeakPolarHBondContact OE2-CG2 3.34Å; E472-T602 PolarHBondContact OE2-OG1 3.34Å; E472-N603 WeakPolarHBondContact CA-OD1 3.47Å
473	H	98.6	Very high	97.5	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.074	C	C	.	.			trans	-72.6	-38.3	180	-160.8	-56.7	0	0	0	112.6	F471 D475 L476 I548 D549 F550 S553 N603	F471-H473 HydrophobicContact CE1-CB 3.76Å; F471-H473 HydrophobicContact CZ-CB 3.86Å; H473-D475 PolarHBondContact O-N 2.93Å; H473-L476 HydrophobicContact CB-CB 3.98Å; H473-I548 PolarHBondContact CE1-O 3.03Å; H473-I548 PolarHBondContact NE2-O 3.29Å; H473-D549 PolarHBondContact CE1-O 3.09Å; H473-F550 AromaticContact NE2-CD1 3.97Å; H473-F550 AromaticContact NE2-CE1 3.73Å; H473-S553 WeakPolarHBondContact O-CA 3.34Å; H473-S553 PolarHBondContact O-OG 2.94Å; H473-N603 PolarHBondContact N-OD1 2.72Å
474	R	98.1	Very high	97.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	59.5	-5.8	178.8	-61.9	-180	172.1	179.1	1.1	117.5	E472 M552 L566 M587 W595 K597 W606	E472-R474 HydrophobicContact CB-CG 3.83Å; E472-R474 VanDerWaalsContact CD-NH2 3.34Å; E472-R474 IonicContact OE1-CZ 3.1Å; E472-R474 IonicContact OE1-NE 2.68Å; E472-R474 IonicContact OE1-NH2 2.74Å; E472-R474 PolarHBondContact OE1-NH2 3.31Å; E472-R474 IonicContact OE2-CZ 3.35Å; E472-R474 IonicContact OE2-NE 3.4Å; E472-R474 PolarHBondContact OE2-NE 2.6Å; E472-R474 IonicContact OE2-NH2 2.67Å; E472-R474 PolarHBondContact OE2-NH2 2.98Å; E472-R474 VanDerWaalsContact OE2-NH2 3.13Å; R474-M552 HydrophobicContact CB-CB 4.12Å; R474-M552 WeakPolarHBondContact CB-O 3.24Å; R474-M552 VanDerWaalsContact CD-O 3.25Å; R474-M552 WeakPolarHBondContact CD-O 3.35Å; R474-L566 HydrophobicContact CB-CD1 4.5Å; R474-M587 HydrophobicContact CB-SD 4.46Å; R474-M587 WeakPolarHBondContact O-CE 3.28Å; R474-W595 PolarHBondContact NH1-O 2.83Å; R474-W595 PolarHBondContact NH2-O 3.04Å; R474-K597 PolarHBondContact NH2-O 3.25Å; R474-W606 WeakPolarHBondContact O-CZ2 3.48Å; R474-W606 PolarHBondContact O-NE1 3.28Å
475	D	97.6	Very high	96.8	Very high	9 Å²	9	22.3 Å²	22.3	5%	0.048	11%	0.109	C	C	.	.			trans	-147.3	46.3	176	-166.4	12.7	0	0	0	112.6	H473 H477 N480 M552 Y584	H473-D475 PolarHBondContact O-N 2.93Å; D475-H477 VanDerWaalsContact C-N 3.31Å; D475-H477 PolarHBondContact O-N 2.78Å; D475-H477 IonicContact OD1-CD2 2.72Å; D475-H477 PolarHBondContact OD1-CD2 3.32Å; D475-H477 VanDerWaalsContact OD1-CD2 3.32Å; D475-N480 PolarHBondContact O-ND2 3.03Å; D475-M552 HydrophobicContact CB-CB 4.13Å; D475-M552 HydrophobicContact CB-CG 4.26Å; D475-M552 HydrophobicContact CB-SD 4.14Å; D475-Y584 PolarHBondContact OD1-OH 2.85Å
476	L	98.5	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.			trans	-92.6	56.9	-174.5	-179.3	59.1	0	0	0	111.9	I458 L462 H473 V481 L547 W606 L610	I458-L476 HydrophobicContact CG2-CD2 4.16Å; L462-L476 HydrophobicContact CD1-CD2 3.79Å; L462-L476 HydrophobicContact CD2-CD2 4.03Å; L462-L476 HydrophobicContact CG-CD2 4.35Å; H473-L476 HydrophobicContact CB-CB 3.98Å; L476-V481 HydrophobicContact CD1-CG2 3.74Å; L476-L547 HydrophobicContact CD1-CD1 4.11Å; L476-L547 HydrophobicContact CD1-CD2 3.62Å; L476-L547 HydrophobicContact CD1-CG 4.32Å; L476-L547 HydrophobicContact CD2-CD1 4.06Å; L476-W606 HydrophobicContact CB-CB 3.78Å; L476-W606 HydrophobicContact CB-CD2 4.18Å; L476-W606 HydrophobicContact CB-CG 3.85Å; L476-W606 HydrophobicContact CD2-CB 4.42Å; L476-W606 HydrophobicContact CG-CB 4.35Å; L476-L610 HydrophobicContact CD1-CD1 4.41Å; L476-L610 HydrophobicContact CD2-CD1 4.15Å; L476-L610 HydrophobicContact CG-CD1 3.93Å
477	H	97	Very high	93.7	Very high	11 Å²	11	28.2 Å²	28.2	5%	0.051	15%	0.151	C	C	.	.			trans	-74.7	166.1	166.4	72.4	107.3	0	0	0	110.8	D475 G479 N480 W606 Y609	D475-H477 VanDerWaalsContact C-N 3.31Å; D475-H477 PolarHBondContact O-N 2.78Å; D475-H477 IonicContact OD1-CD2 2.72Å; D475-H477 PolarHBondContact OD1-CD2 3.32Å; D475-H477 VanDerWaalsContact OD1-CD2 3.32Å; H477-G479 PolarHBondContact ND1-N 3.33Å; H477-G479 PolarHBondContact O-N 2.89Å; H477-G479 VanDerWaalsContact O-N 3.13Å; H477-N480 PolarHBondContact CD2-ND2 3.21Å; H477-N480 VanDerWaalsContact CD2-ND2 3.33Å; H477-N480 PolarHBondContact NE2-ND2 2.75Å; H477-N480 VanDerWaalsContact NE2-ND2 3.2Å; H477-N480 PolarHBondContact O-N 3.32Å; H477-W606 HydrophobicContact CB-CH2 4.39Å; H477-W606 HydrophobicContact CB-CZ3 3.79Å; H477-Y609 HydrophobicContact CB-CE1 3.96Å
478	W	97.3	Very high	91	Very high	45 Å²	45	28.9 Å²	28.9	17%	0.17	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.1	-174.9	59.5	-1.3	0	0	0	115.1	E441 V444 Y609 L610 K613	E441-W478 HydrophobicContact CB-CB 4.48Å; E441-W478 HydrophobicContact CB-CD2 4.11Å; E441-W478 HydrophobicContact CB-CG 3.9Å; E441-W478 HydrophobicContact CG-CD2 4.26Å; E441-W478 HydrophobicContact CG-CG 4.35Å; E441-W478 HydrophobicContact CG-CZ2 4.25Å; E441-W478 PolarHBondContact N-O 2.88Å; E441-W478 VanDerWaalsContact N-O 3.12Å; E441-W478 PolarHBondContact OE1-NE1 2.82Å; V444-W478 HydrophobicContact CG2-CE3 4.46Å; V444-W478 HydrophobicContact CG2-CZ3 4.37Å; W478-Y609 HydrophobicContact CB-CE1 4.42Å; W478-Y609 HydrophobicContact CG-CE1 4.32Å; W478-L610 HydrophobicContact CB-CD2 3.98Å; W478-K613 HydrophobicContact CD2-CB 4.19Å; W478-K613 HydrophobicContact CD2-CD 4.05Å; W478-K613 HydrophobicContact CD2-CG 3.93Å; W478-K613 HydrophobicContact CE3-CB 3.54Å; W478-K613 HydrophobicContact CE3-CD 3.87Å; W478-K613 HydrophobicContact CE3-CG 3.75Å; W478-K613 HydrophobicContact CG-CG 4.49Å; W478-K613 HydrophobicContact CH2-CD 3.72Å; W478-K613 HydrophobicContact CZ2-CD 3.91Å; W478-K613 HydrophobicContact CZ3-CB 3.82Å; W478-K613 HydrophobicContact CZ3-CD 3.7Å; W478-K613 HydrophobicContact CZ3-CG 4.05Å
479	G	95.1	Very high	88.1	Confident	7 Å²	7	31 Å²	31	7%	0.072	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-32.8	168	0	0	0	0	0	111.7	T439 H477 V481	T439-G479 WeakPolarHBondContact CG2-O 3.45Å; H477-G479 PolarHBondContact ND1-N 3.33Å; H477-G479 PolarHBondContact O-N 2.89Å; H477-G479 VanDerWaalsContact O-N 3.13Å; G479-V481 PolarHBondContact O-N 2.92Å
480	N	97.8	Very high	84.8	Confident	17 Å²	17	38.5 Å²	38.5	9%	0.091	22%	0.221	C	C	.	.	S	Bend	trans	-86.3	14.7	177.4	-73.1	-14.8	0	0	0	113.7	D475 H477 I548	D475-N480 PolarHBondContact O-ND2 3.03Å; H477-N480 PolarHBondContact CD2-ND2 3.21Å; H477-N480 VanDerWaalsContact CD2-ND2 3.33Å; H477-N480 PolarHBondContact NE2-ND2 2.75Å; H477-N480 VanDerWaalsContact NE2-ND2 3.2Å; H477-N480 PolarHBondContact O-N 3.32Å; N480-I548 HydrophobicContact CB-CG1 4.22Å; N480-I548 WeakPolarHBondContact CB-O 3.49Å; N480-I548 WeakPolarHBondContact O-CG1 3.4Å; N480-I548 PolarHBondContact O-N 3.21Å
481	V	98.5	Very high	81.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.7	170.3	-177.4	0	0	0	0	108.7	L440 I458 L476 G479 V545 L547 L610	L440-V481 HydrophobicContact CB-CB 3.98Å; L440-V481 HydrophobicContact CB-CG1 4.07Å; L440-V481 WeakPolarHBondContact CB-O 3.42Å; L440-V481 HydrophobicContact CD2-CB 4.07Å; L440-V481 HydrophobicContact CD2-CG1 3.8Å; L440-V481 PolarHBondContact N-O 3.39Å; I458-V481 HydrophobicContact CD1-CG1 3.85Å; I458-V481 HydrophobicContact CD1-CG2 4.16Å; L476-V481 HydrophobicContact CD1-CG2 3.74Å; G479-V481 PolarHBondContact O-N 2.92Å; V481-V545 HydrophobicContact CG1-CG1 3.64Å; V481-L547 HydrophobicContact CG1-CD2 4.38Å; V481-L547 HydrophobicContact CG2-CD2 4.01Å; V481-L610 HydrophobicContact CG2-CD1 4.2Å; V481-L610 HydrophobicContact CG2-CD2 3.94Å
482	L	98.2	Very high	78.4	Confident	22 Å²	22	44.3 Å²	44.3	12%	0.115	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	141	171.6	-61.3	-175.9	0	0	0	111.3	C436 V438 T439 V545 H546 I548	C436-L482 HydrophobicContact CB-CB 4.37Å; C436-L482 HydrophobicContact CB-CD1 3.81Å; V438-L482 CarbonylContact O-C 3.6Å; V438-L482 WeakPolarHBondContact O-CA 3.28Å; T439-L482 HydrophobicContact CG2-CD2 3.85Å; L482-V545 CarbonylContact O-C 3.53Å; L482-V545 WeakPolarHBondContact O-CA 3.32Å; L482-H546 HydrophobicContact CB-CB 4.49Å; L482-H546 WeakPolarHBondContact CB-O 3.34Å; L482-H546 PolarHBondContact N-O 3.44Å; L482-H546 PolarHBondContact O-N 3.46Å; L482-I548 HydrophobicContact CD1-CD1 4.18Å; L482-I548 HydrophobicContact CD1-CG2 3.55Å; L482-I548 HydrophobicContact CD2-CD1 3.92Å; L482-I548 HydrophobicContact CG-CD1 3.88Å; L482-I548 HydrophobicContact CG-CG1 4.23Å; L482-I548 HydrophobicContact CG-CG2 3.78Å
483	I	97.4	Very high	75.1	Confident	2 Å²	2	49 Å²	49	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.3	169.7	58.1	172.2	0	0	0	110.6	G437 V438 L440 N443 P445 I454 Y543 V545	G437-I483 WeakPolarHBondContact CA-O 3.4Å; V438-I483 HydrophobicContact CG2-CG1 4.13Å; V438-I483 PolarHBondContact N-O 2.59Å; V438-I483 PolarHBondContact O-N 3.41Å; L440-I483 HydrophobicContact CD1-CD1 4.07Å; L440-I483 HydrophobicContact CD1-CG2 4.22Å; N443-I483 HydrophobicContact CB-CD1 3.99Å; N443-I483 VanDerWaalsContact O-CD1 3.28Å; N443-I483 WeakPolarHBondContact O-CD1 3.28Å; P445-I483 HydrophobicContact CG-CD1 4.37Å; I454-I483 HydrophobicContact CD1-CG2 4Å; I454-I483 HydrophobicContact CG1-CG2 4.27Å; I483-Y543 HydrophobicContact CB-CD1 3.96Å; I483-Y543 HydrophobicContact CD1-CD1 4.03Å; I483-Y543 HydrophobicContact CD1-CE1 3.86Å; I483-Y543 HydrophobicContact CG1-CD1 4.32Å; I483-Y543 HydrophobicContact CG1-CE1 4.44Å; I483-V545 HydrophobicContact CG2-CG2 4.31Å
484	S	94.1	Very high	71.7	Confident	25 Å²	25	55.1 Å²	55.1	18%	0.175	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.2	174.7	54	0	0	0	0	110.1	C436 S486 Y543 I544	C436-S484 WeakPolarHBondContact O-CB 3.38Å; S484-S486 PolarHBondContact O-N 3.49Å; S484-Y543 WeakPolarHBondContact O-CA 3.46Å; S484-I544 PolarHBondContact N-O 2.96Å; S484-I544 PolarHBondContact O-N 3.29Å; S484-I544 PolarHBondContact OG-O 2.83Å
485	H	88.4	Confident	68.3	Low	120 Å²	120	59.8 Å²	59.8	56%	0.556	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.6	169	-71.8	92.7	0	0	0	108.7	S487 G542 Y543	H485-S487 PolarHBondContact O-N 3.25Å; H485-G542 CarbonylContact C-O 3.53Å; H485-G542 WeakPolarHBondContact CA-O 3.39Å; H485-Y543 AromaticContact CD2-CE1 3.87Å; H485-Y543 AromaticContact CE1-CE1 3.79Å; H485-Y543 AromaticContact NE2-CE1 3.57Å; H485-Y543 AromaticContact NE2-CZ 3.67Å; H485-Y543 PolarHBondContact NE2-OH 3.11Å
486	S	72.7	Confident	65	Low	29 Å²	29	64.8 Å²	64.8	20%	0.203	41%	0.412	C	S	.	.			trans	-63.2	109.2	167.4	-177.6	0	0	0	0	107.5	S484 S488 K540 G542	S484-S486 PolarHBondContact O-N 3.49Å; S486-S488 PolarHBondContact O-N 3.32Å; S486-K540 PolarHBondContact OG-NZ 3.26Å; S486-G542 PolarHBondContact N-O 3.12Å
487	S	59.3	Low	61.8	Low	106 Å²	106	69.9 Å²	69.9	74%	0.741	45%	0.447	S	S	*	.			trans	-62.6	99.4	-175.6	-62.9	0	0	0	0	110.7	H485 S489	H485-S487 PolarHBondContact O-N 3.25Å; S487-S489 PolarHBondContact O-N 3.44Å
488	S	39.8	Very low	58.4	Low	85 Å²	85	75.6 Å²	75.6	59%	0.594	48%	0.483	S	S	*	.			trans	-60.6	102.8	164.6	-59.5	0	0	0	0	107.1	S486 N490	S486-S488 PolarHBondContact O-N 3.32Å; S488-N490 PolarHBondContact O-N 2.83Å
489	S	32.4	Very low	55.3	Low	86 Å²	86	79.2 Å²	79.2	60%	0.601	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	110.4	-169.4	-48	0	0	0	0	110	S487 S491	S487-S489 PolarHBondContact O-N 3.44Å; S489-S491 PolarHBondContact O-N 3.09Å
490	N	27.1	Very low	52.2	Low	158 Å²	158	84.1 Å²	84.1	85%	0.845	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-7.2	83	-171.7	-73.1	-10.1	0	0	0	115.4	S488 S492	S488-N490 PolarHBondContact O-N 2.83Å; N490-S492 VanDerWaalsContact C-N 3.34Å; N490-S492 PolarHBondContact O-N 3.39Å
491	S	28	Very low	49.2	Very low	102 Å²	102	88.4 Å²	88.4	71%	0.713	58%	0.58	S	S	*	*			trans	-65	107.5	148.2	-77.2	0	0	0	0	105.6	S489 S493	S489-S491 PolarHBondContact O-N 3.09Å; S491-S493 PolarHBondContact O-N 2.61Å
492	S	30.8	Very low	46.3	Very low	107 Å²	107	93.9 Å²	93.9	75%	0.748	62%	0.618	S	S	*	*			trans	-71.3	63	178.9	53.1	0	0	0	0	110.7	N490 T494	N490-S492 VanDerWaalsContact C-N 3.34Å; N490-S492 PolarHBondContact O-N 3.39Å; S492-T494 VanDerWaalsContact C-N 3.28Å; S492-T494 PolarHBondContact O-N 3.02Å
493	S	30.7	Very low	43.3	Very low	99 Å²	99	98.3 Å²	98.3	69%	0.692	65%	0.651	S	S	*	*			trans	-67.4	92.6	162.7	-64.9	0	0	0	0	107.2	S491 S495	S491-S493 PolarHBondContact O-N 2.61Å; S493-S495 PolarHBondContact O-N 2.95Å
494	T	26.6	Very low	40.2	Very low	128 Å²	128	105.2 Å²	105.2	79%	0.785	69%	0.686	S	S	*	*			trans	-65.9	76.6	172.7	-52.3	0	0	0	0	109.6	S492	S492-T494 VanDerWaalsContact C-N 3.28Å; S492-T494 PolarHBondContact O-N 3.02Å
495	S	27.2	Very low	37.6	Very low	98 Å²	98	111 Å²	111	69%	0.685	71%	0.714	S	S	*	*			trans	-115.8	74.3	174.2	-67.6	0	0	0	0	109	S493 S497	S493-S495 PolarHBondContact O-N 2.95Å; S495-S497 PolarHBondContact O-N 3.13Å
496	S	28.7	Very low	35	Very low	114 Å²	114	111.1 Å²	111.1	80%	0.797	72%	0.719	S	S	*	*			trans	-67.6	78.8	164.7	52.7	0	0	0	0	110
497	S	30.2	Very low	33.9	Very low	106 Å²	106	113.8 Å²	113.8	74%	0.741	73%	0.731	S	S	*	*			trans	-131.7	104.8	172.4	-71.4	0	0	0	0	110.1	S495	S495-S497 PolarHBondContact O-N 3.13Å
498	T	27	Very low	33.6	Very low	131 Å²	131	113.7 Å²	113.7	80%	0.804	72%	0.722	S	S	*	*			trans	-16.3	128.6	170.8	-32.2	0	0	0	0	117.2	S500	T498-S500 PolarHBondContact O-N 3.3Å; T498-S500 VanDerWaalsContact O-N 3.09Å
499	S	31.3	Very low	34.6	Very low	121 Å²	121	116.3 Å²	116.3	85%	0.846	73%	0.73	S	S	*	*			trans	-57	111.2	164	-50	0	0	0	0	110.9
500	S	30.3	Very low	36.6	Very low	110 Å²	110	116.6 Å²	116.6	77%	0.769	73%	0.729	S	S	*	*			trans	-155.1	135.4	165	-78	0	0	0	0	110.4	T498	T498-S500 PolarHBondContact O-N 3.3Å; T498-S500 VanDerWaalsContact O-N 3.09Å
501	S	35.1	Very low	39.5	Very low	107 Å²	107	110.2 Å²	110.2	75%	0.748	70%	0.697	S	S	*	*	S	Bend	trans	-40.2	143.2	-172.1	-47.8	0	0	0	0	117.5	S503	S501-S503 PolarHBondContact O-N 3.32Å
502	S	38	Very low	42.2	Very low	115 Å²	115	111.5 Å²	111.5	80%	0.804	69%	0.692	S	S	*	*			trans	51.1	52.3	147	57.3	0	0	0	0	116.6	I504	S502-I504 PolarHBondContact O-N 3.34Å; S502-I504 VanDerWaalsContact O-N 3.09Å
503	S	34	Very low	44.9	Very low	115 Å²	115	107.9 Å²	107.9	80%	0.804	66%	0.662	S	S	*	*			trans	-71.3	100.5	163.2	60.2	0	0	0	0	110.2	S501	S501-S503 PolarHBondContact O-N 3.32Å
504	I	33.6	Very low	47.6	Very low	147 Å²	147	103.6 Å²	103.6	75%	0.754	63%	0.632	S	S	*	*			trans	-1.1	122.5	157.1	-59.7	169.6	0	0	0	114.5	S502 N506	S502-I504 PolarHBondContact O-N 3.34Å; S502-I504 VanDerWaalsContact O-N 3.09Å; I504-N506 PolarHBondContact O-N 3.03Å
505	L	38.8	Very low	50.3	Low	146 Å²	146	100 Å²	100	76%	0.764	61%	0.612	S	S	*	*			trans	-60.7	92.3	173	-72.8	162.2	0	0	0	111.2	N507	L505-N507 PolarHBondContact O-N 3.48Å
506	N	34.5	Very low	52.8	Low	123 Å²	123	96.3 Å²	96.3	66%	0.658	59%	0.585	S	S	*	*			trans	-68.4	114	160.4	-79	-13.9	0	0	0	108.1	I504 D508 N509	I504-N506 PolarHBondContact O-N 3.03Å; N506-D508 PolarHBondContact O-N 3.31Å; N506-N509 PolarHBondContact O-N 2.89Å
507	N	48.4	Very low	55.1	Low	86 Å²	86	92 Å²	92	46%	0.46	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.7	-1.9	-162.3	-150.1	17.6	0	0	0	114.8	L505	L505-N507 PolarHBondContact O-N 3.48Å
508	D	52.7	Low	57.1	Low	104 Å²	104	95.2 Å²	95.2	56%	0.556	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-3.5	-177.5	-58.3	-54.5	0	0	0	113.8	N506 S632	N506-D508 PolarHBondContact O-N 3.31Å; D508-S632 PolarHBondContact OD1-OG 3.47Å
509	N	61.3	Low	59.1	Low	139 Å²	139	92.6 Å²	92.6	74%	0.743	53%	0.531	S	S	*	.	S	Bend	trans	-77.7	128.2	175.2	-93.3	-20.8	0	0	0	111.2	N506	N506-N509 PolarHBondContact O-N 2.89Å
510	P	75	Confident	60.3	Low	92 Å²	92	96.5 Å²	96.5	60%	0.597	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-62.6	142.4	176.7	26.9	-34.4	0	0	0	110.7	Q512	P510-Q512 PolarHBondContact O-N 3.43Å; P510-Q512 VanDerWaalsContact O-N 3.08Å
511	C	86.6	Confident	61.9	Low	24 Å²	24	96.7 Å²	96.7	16%	0.162	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-57.3	116.5	180	175.4	0	0	0	0	111.3	Y513 C514 C515 H642	C511-Y513 PolarHBondContact O-N 2.82Å; C511-C514 HydrophobicContact CB-CB 3.97Å; C511-C514 PolarHBondContact O-N 2.9Å; C511-C514 VanDerWaalsContact SG-SG 3.65Å; C511-C515 PolarHBondContact O-N 3.37Å; C511-H642 PolarHBondContact SG-NE2 3.14Å
512	Q	85.4	Confident	63.1	Low	129 Å²	129	96.5 Å²	96.5	60%	0.603	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.5	-175.8	71.5	179.9	2.8	0	0	115	P510 C515	P510-Q512 PolarHBondContact O-N 3.43Å; P510-Q512 VanDerWaalsContact O-N 3.08Å; Q512-C515 VanDerWaalsContact C-SG 3.55Å; Q512-C515 PolarHBondContact O-SG 3.19Å
513	Y	87.2	Confident	64.4	Low	32 Å²	32	96.5 Å²	96.5	13%	0.125	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-41	176	-55.4	-73.8	0	0	0	111.2	C447 C511 T516 F541 Y543	C447-Y513 HydrophobicContact CB-CD2 3.45Å; C447-Y513 VanDerWaalsContact CB-CD2 3.45Å; C447-Y513 HydrophobicContact CB-CE2 4.27Å; C447-Y513 HydrophobicContact CB-CG 3.9Å; C511-Y513 PolarHBondContact O-N 2.82Å; Y513-T516 PolarHBondContact O-N 2.86Å; Y513-T516 PolarHBondContact O-OG1 3.07Å; Y513-F541 WeakPolarHBondContact CD1-O 3.33Å; Y513-F541 WeakPolarHBondContact O-CA 3.38Å; Y513-Y543 HydrophobicContact CD1-CD2 4.39Å; Y513-Y543 AromaticContact CD1-CE2 3.69Å; Y513-Y543 HydrophobicContact CD1-CE2 3.69Å; Y513-Y543 HydrophobicContact CE1-CD2 4.44Å; Y513-Y543 AromaticContact CE1-CE2 3.38Å; Y513-Y543 HydrophobicContact CE1-CE2 3.38Å; Y513-Y543 AromaticContact CE1-CZ 3.7Å; Y513-Y543 WeakPolarHBondContact CE1-OH 3.43Å; Y513-Y543 PolarHBondContact OH-OH 2.96Å
514	C	87.6	Confident	66.2	Low	8 Å²	8	95.8 Å²	95.8	5%	0.054	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-69.8	-31.8	177.2	-61.2	0	0	0	0	112.3	C447 C449 C511 T516 L517 H642	C447-C514 VanDerWaalsContact SG-SG 3.6Å; C449-C514 VanDerWaalsContact SG-SG 3.61Å; C511-C514 HydrophobicContact CB-CB 3.97Å; C511-C514 PolarHBondContact O-N 2.9Å; C511-C514 VanDerWaalsContact SG-SG 3.65Å; C514-T516 PolarHBondContact O-N 3.29Å; C514-L517 WeakPolarHBondContact O-CB 3.25Å; C514-L517 PolarHBondContact O-N 3.42Å; C514-H642 PolarHBondContact SG-NE2 3.05Å
515	C	82.6	Confident	68.6	Low	54 Å²	54	89.2 Å²	89.2	37%	0.365	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.6	178.1	70.1	0	0	0	0	113.1	C511 Q512 L517 Y518	C511-C515 PolarHBondContact O-N 3.37Å; Q512-C515 VanDerWaalsContact C-SG 3.55Å; Q512-C515 PolarHBondContact O-SG 3.19Å; C515-L517 PolarHBondContact O-N 2.96Å; C515-L517 VanDerWaalsContact O-N 3.1Å; C515-Y518 PolarHBondContact O-N 2.85Å
516	T	81.6	Confident	71.1	Confident	20 Å²	20	85.7 Å²	85.7	12%	0.123	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-64.8	-11.4	177.3	71	0	0	0	0	114.2	Y513 C514 Y518 D519 S525 F541 G542	Y513-T516 PolarHBondContact O-N 2.86Å; Y513-T516 PolarHBondContact O-OG1 3.07Å; C514-T516 PolarHBondContact O-N 3.29Å; T516-Y518 VanDerWaalsContact C-N 3.34Å; T516-D519 WeakPolarHBondContact CA-OD2 3.23Å; T516-S525 VanDerWaalsContact O-CB 3.29Å; T516-S525 WeakPolarHBondContact O-CB 3.4Å; T516-F541 WeakPolarHBondContact OG1-CA 3.36Å; T516-G542 PolarHBondContact OG1-N 3.39Å
517	L	77	Confident	74	Confident	23 Å²	23	80.1 Å²	80.1	12%	0.12	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-68.4	-32.9	169	-72.6	178.5	0	0	0	112.6	C514 C515 P539 F541 L641 F682	C514-L517 WeakPolarHBondContact O-CB 3.25Å; C514-L517 PolarHBondContact O-N 3.42Å; C515-L517 PolarHBondContact O-N 2.96Å; C515-L517 VanDerWaalsContact O-N 3.1Å; L517-P539 HydrophobicContact CD2-CB 3.43Å; L517-P539 VanDerWaalsContact CD2-CB 3.43Å; L517-P539 HydrophobicContact CD2-CG 4.09Å; L517-F541 HydrophobicContact CD1-CE1 3.55Å; L517-F541 HydrophobicContact CD1-CZ 3.71Å; L517-F541 HydrophobicContact CD2-CE1 3.97Å; L517-F541 HydrophobicContact CD2-CE2 4.31Å; L517-F541 HydrophobicContact CD2-CZ 3.68Å; L517-F541 HydrophobicContact CG-CD1 4.43Å; L517-F541 HydrophobicContact CG-CE1 3.62Å; L517-F541 HydrophobicContact CG-CZ 3.84Å; L517-L641 HydrophobicContact CD1-CD2 4.33Å; L517-F682 HydrophobicContact CD1-CB 4.25Å; L517-F682 HydrophobicContact CD1-CD1 3.86Å; L517-F682 HydrophobicContact CD1-CG 4.19Å
518	Y	71.5	Confident	76.1	Confident	173 Å²	173	80.4 Å²	80.4	68%	0.678	40%	0.397	S	S	*	.	S	Bend	trans	-93.8	2.4	-171.9	-54.7	-68.6	0	0	0	113.3	C515 T516 K520	C515-Y518 PolarHBondContact O-N 2.85Å; T516-Y518 VanDerWaalsContact C-N 3.34Å; Y518-K520 PolarHBondContact O-N 3.26Å
519	D	69.6	Low	78.2	Confident	76 Å²	76	75.6 Å²	75.6	41%	0.406	37%	0.371	S	S	.	.			trans	-62.9	117.2	174.5	-75.4	-32.1	0	0	0	109.9	T516 E521 N522	T516-D519 WeakPolarHBondContact CA-OD2 3.23Å; D519-E521 CarbonylContact O-C 3.57Å; D519-E521 PolarHBondContact O-N 3.16Å; D519-N522 PolarHBondContact O-N 3.3Å; D519-N522 PolarHBondContact O-OD1 3.12Å
520	K	56.3	Low	79.9	Confident	204 Å²	204	71.8 Å²	71.8	89%	0.887	35%	0.346	S	S	*	.	S	Bend	trans	-57.9	-14.8	-173.3	-67.2	-177.2	177.8	178.3	0	114.8	Y518 N522	Y518-K520 PolarHBondContact O-N 3.26Å; K520-N522 PolarHBondContact O-N 3.2Å; K520-N522 VanDerWaalsContact O-N 3.13Å
521	E	63.7	Low	80.9	Confident	114 Å²	114	67.5 Å²	67.5	53%	0.533	32%	0.318	S	S	.	.			trans	-82.6	61.9	169.7	-62.4	-168.7	123.5	0	0	110.8	D519 D523 K524	D519-E521 CarbonylContact O-C 3.57Å; D519-E521 PolarHBondContact O-N 3.16Å; E521-D523 PolarHBondContact O-N 2.78Å; E521-K524 HydrophobicContact CB-CB 4.42Å; E521-K524 HydrophobicContact CB-CD 4.33Å; E521-K524 HydrophobicContact CB-CG 4.35Å; E521-K524 PolarHBondContact O-N 3.22Å; E521-K524 WeakPolarHBondContact OE1-CE 3.38Å; E521-K524 IonicContact OE1-NZ 3.53Å; E521-K524 PolarHBondContact OE1-NZ 3.18Å; E521-K524 WeakPolarHBondContact OE2-CD 3.39Å; E521-K524 VanDerWaalsContact OE2-CE 3.29Å; E521-K524 WeakPolarHBondContact OE2-CE 3.37Å; E521-K524 IonicContact OE2-NZ 2.72Å; E521-K524 PolarHBondContact OE2-NZ 3.46Å
522	N	59.7	Low	81.3	Confident	102 Å²	102	69.1 Å²	69.1	55%	0.545	33%	0.326	S	S	.	.	H	α-helix	trans	-46.4	-34.6	-174.5	-75.1	10.5	0	0	0	114	D519 K520 K524 S525 Y526	D519-N522 PolarHBondContact O-N 3.3Å; D519-N522 PolarHBondContact O-OD1 3.12Å; K520-N522 PolarHBondContact O-N 3.2Å; K520-N522 VanDerWaalsContact O-N 3.13Å; N522-K524 PolarHBondContact O-N 3.43Å; N522-S525 PolarHBondContact O-N 3.48Å; N522-S525 PolarHBondContact O-OG 3.15Å; N522-Y526 VanDerWaalsContact O-CD2 3.23Å; N522-Y526 WeakPolarHBondContact O-CD2 3.46Å
523	D	66	Low	81.8	Confident	116 Å²	116	64.8 Å²	64.8	62%	0.62	32%	0.316	S	S	*	.	H	α-helix	trans	-68.3	-20.1	-178.9	-143.7	56	0	0	0	113.7	E521 K528	E521-D523 PolarHBondContact O-N 2.78Å; D523-K528 VanDerWaalsContact OD1-CE 3.25Å; D523-K528 WeakPolarHBondContact OD1-CE 3.47Å; D523-K528 IonicContact OD1-NZ 2.7Å; D523-K528 PolarHBondContact OD1-NZ 2.82Å; D523-K528 IonicContact OD2-NZ 3.52Å; D523-K528 PolarHBondContact OD2-NZ 2.9Å
524	K	71	Confident	82.1	Confident	99 Å²	99	71 Å²	71	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-92.2	-14.5	177.7	-60.8	-170.6	-162.4	161.9	0	113.6	E521 N522 K540	E521-K524 HydrophobicContact CB-CB 4.42Å; E521-K524 HydrophobicContact CB-CD 4.33Å; E521-K524 HydrophobicContact CB-CG 4.35Å; E521-K524 PolarHBondContact O-N 3.22Å; E521-K524 WeakPolarHBondContact OE1-CE 3.38Å; E521-K524 IonicContact OE1-NZ 3.53Å; E521-K524 PolarHBondContact OE1-NZ 3.18Å; E521-K524 WeakPolarHBondContact OE2-CD 3.39Å; E521-K524 VanDerWaalsContact OE2-CE 3.29Å; E521-K524 WeakPolarHBondContact OE2-CE 3.37Å; E521-K524 IonicContact OE2-NZ 2.72Å; E521-K524 PolarHBondContact OE2-NZ 3.46Å; N522-K524 PolarHBondContact O-N 3.43Å; K524-K540 WeakPolarHBondContact O-CD 3.45Å; K524-K540 WeakPolarHBondContact O-CE 3.35Å; K524-K540 PolarHBondContact O-NZ 3.43Å
525	S	85.3	Confident	82.4	Confident	9 Å²	9	76.6 Å²	76.6	6%	0.063	37%	0.365	C	S	.	.	H	α-helix	trans	-84.3	-10.2	-179.1	58.7	0	0	0	0	114.1	T516 N522 K540	T516-S525 VanDerWaalsContact O-CB 3.29Å; T516-S525 WeakPolarHBondContact O-CB 3.4Å; N522-S525 PolarHBondContact O-N 3.48Å; N522-S525 PolarHBondContact O-OG 3.15Å; S525-K540 WeakPolarHBondContact O-CB 3.32Å; S525-K540 WeakPolarHBondContact O-CG 3.39Å; S525-K540 PolarHBondContact O-N 2.91Å
526	Y	91.2	Very high	82.9	Confident	72 Å²	72	76 Å²	76	28%	0.282	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	150.3	178.5	-59	-102.7	0	0	0	112.7	N522 N537 I538 P539 K540	N522-Y526 VanDerWaalsContact O-CD2 3.23Å; N522-Y526 WeakPolarHBondContact O-CD2 3.46Å; Y526-N537 HydrophobicContact CD1-CB 3.94Å; Y526-N537 HydrophobicContact CG-CB 4.26Å; Y526-I538 CarbonylContact C-O 3.53Å; Y526-I538 WeakPolarHBondContact CA-O 3.19Å; Y526-P539 HydrophobicContact CD1-CB 3.94Å; Y526-P539 HydrophobicContact CD1-CG 4.18Å; Y526-P539 HydrophobicContact CE1-CB 3.83Å; Y526-P539 HydrophobicContact CE1-CG 3.89Å; Y526-K540 VanDerWaalsContact O-CE 3.32Å; Y526-K540 WeakPolarHBondContact O-CE 3.46Å
527	V	93.5	Very high	83.4	Confident	7 Å²	7	78.1 Å²	78.1	4%	0.042	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	129.6	159	-169.4	0	0	0	0	107.8	Q457 F529 I538 K540 I544	Q457-V527 HydrophobicContact CG-CB 4.48Å; Q457-V527 HydrophobicContact CG-CG2 4.4Å; V527-F529 HydrophobicContact CB-CE2 3.81Å; V527-F529 HydrophobicContact CB-CZ 4.06Å; V527-F529 HydrophobicContact CG1-CD2 4.43Å; V527-F529 HydrophobicContact CG1-CE1 4.15Å; V527-F529 HydrophobicContact CG1-CE2 3.61Å; V527-F529 HydrophobicContact CG1-CZ 3.43Å; V527-F529 VanDerWaalsContact CG1-CZ 3.43Å; V527-I538 PolarHBondContact N-O 2.88Å; V527-I538 PolarHBondContact O-N 2.96Å; V527-K540 HydrophobicContact CG2-CD 4.35Å; V527-K540 HydrophobicContact CG2-CG 3.52Å; V527-I544 HydrophobicContact CG2-CG1 4.2Å; V527-I544 HydrophobicContact CG2-CG2 4.39Å
528	K	93.9	Very high	84.2	Confident	91 Å²	91	77.2 Å²	77.2	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	-177.1	-54.5	-172.9	-179.5	174.6	0	110.3	D523 N537	D523-K528 VanDerWaalsContact OD1-CE 3.25Å; D523-K528 WeakPolarHBondContact OD1-CE 3.47Å; D523-K528 IonicContact OD1-NZ 2.7Å; D523-K528 PolarHBondContact OD1-NZ 2.82Å; D523-K528 IonicContact OD2-NZ 3.52Å; D523-K528 PolarHBondContact OD2-NZ 2.9Å; K528-N537 WeakPolarHBondContact CG-OD1 3.26Å
529	F	96.7	Very high	85.2	Confident	4 Å²	4	69 Å²	69	2%	0.018	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.3	172.7	-51.9	-92.6	0	0	0	109.2	N380 T381 Q457 I460 S461 V527 E535 W536 I538	N380-F529 WeakPolarHBondContact O-CA 3.22Å; T381-F529 VanDerWaalsContact OG1-CD1 3.3Å; T381-F529 WeakPolarHBondContact OG1-CD1 3.49Å; T381-F529 VanDerWaalsContact OG1-CE1 3.28Å; T381-F529 WeakPolarHBondContact OG1-CE1 3.45Å; Q457-F529 HydrophobicContact CB-CE2 4.49Å; Q457-F529 HydrophobicContact CB-CZ 3.91Å; Q457-F529 HydrophobicContact CG-CE2 4.13Å; Q457-F529 HydrophobicContact CG-CZ 3.92Å; I460-F529 HydrophobicContact CB-CD1 4.49Å; I460-F529 HydrophobicContact CB-CG 4.33Å; I460-F529 HydrophobicContact CD1-CD2 4.33Å; I460-F529 HydrophobicContact CG2-CB 3.5Å; I460-F529 HydrophobicContact CG2-CD1 3.87Å; I460-F529 HydrophobicContact CG2-CD2 4.08Å; I460-F529 HydrophobicContact CG2-CG 3.55Å; S461-F529 WeakPolarHBondContact OG-CE1 3.49Å; V527-F529 HydrophobicContact CB-CE2 3.81Å; V527-F529 HydrophobicContact CB-CZ 4.06Å; V527-F529 HydrophobicContact CG1-CD2 4.43Å; V527-F529 HydrophobicContact CG1-CE1 4.15Å; V527-F529 HydrophobicContact CG1-CE2 3.61Å; V527-F529 HydrophobicContact CG1-CZ 3.43Å; V527-F529 VanDerWaalsContact CG1-CZ 3.43Å; F529-E535 WeakPolarHBondContact O-CA 3.45Å; F529-W536 HydrophobicContact CB-CB 4.29Å; F529-W536 PolarHBondContact N-O 2.89Å; F529-W536 PolarHBondContact O-N 3.02Å; F529-I538 HydrophobicContact CD2-CG1 4.13Å; F529-I538 HydrophobicContact CE2-CB 4.2Å; F529-I538 HydrophobicContact CE2-CG1 3.91Å
530	R	96.7	Very high	86.3	Confident	58 Å²	58	66.5 Å²	66.5	22%	0.219	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.9	165.7	-155	178	-74	95.6	11.2	109.7	L377 K378 N379 N380 V464 Y534 E535	L377-R530 WeakPolarHBondContact O-CD 3.37Å; K378-R530 WeakPolarHBondContact O-CD 3.41Å; K378-R530 VanDerWaalsContact O-CG 3.22Å; K378-R530 WeakPolarHBondContact O-CG 3.29Å; N379-R530 CarbonylContact C-O 3.57Å; N379-R530 VanDerWaalsContact CA-O 3.26Å; N379-R530 WeakPolarHBondContact CA-O 3.41Å; N380-R530 HydrophobicContact CB-CB 3.92Å; N380-R530 PolarHBondContact N-O 3.19Å; N380-R530 PolarHBondContact O-N 3.09Å; V464-R530 WeakPolarHBondContact CG2-O 3.47Å; R530-Y534 CarbonylContact C-O 3.51Å; R530-Y534 VanDerWaalsContact CA-O 3.26Å; R530-Y534 WeakPolarHBondContact CA-O 3.34Å; R530-Y534 WeakPolarHBondContact CG-O 3.44Å; R530-E535 HydrophobicContact CG-CG 4.39Å; R530-E535 IonicContact CZ-OE1 3.85Å; R530-E535 IonicContact NE-OE1 2.74Å; R530-E535 IonicContact NH2-OE1 3.17Å; R530-E535 PolarHBondContact NH2-OE1 3.31Å
531	L	96.9	Very high	88	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	128.3	177.8	-175.7	70	0	0	0	109.6	N379 A463 V464 L467 G533 Y534 Y666 V669 T670	N379-L531 WeakPolarHBondContact OD1-CA 3.43Å; A463-L531 HydrophobicContact CB-CD1 4.28Å; A463-L531 HydrophobicContact CB-CD2 3.79Å; V464-L531 HydrophobicContact CB-CD1 4.45Å; V464-L531 HydrophobicContact CG2-CB 4.29Å; V464-L531 HydrophobicContact CG2-CD1 3.75Å; L467-L531 HydrophobicContact CD2-CD1 3.85Å; L531-G533 PolarHBondContact O-N 2.99Å; L531-Y534 PolarHBondContact N-O 2.96Å; L531-Y534 WeakPolarHBondContact O-CB 3.28Å; L531-Y534 PolarHBondContact O-N 3Å; L531-Y666 HydrophobicContact CD1-CD2 3.94Å; L531-Y666 HydrophobicContact CD1-CE2 4.09Å; L531-Y666 HydrophobicContact CD2-CD2 3.94Å; L531-Y666 HydrophobicContact CD2-CE2 4.08Å; L531-Y666 HydrophobicContact CG-CD2 4.16Å; L531-Y666 HydrophobicContact CG-CE2 4.02Å; L531-V669 HydrophobicContact CD2-CB 4.36Å; L531-V669 HydrophobicContact CD2-CG1 3.75Å; L531-T670 HydrophobicContact CD2-CG2 4.27Å
532	D	94.9	Very high	89.3	Confident	59 Å²	59	51.9 Å²	51.9	32%	0.316	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	28.3	-167.2	-159.4	38.2	0	0	0	114.6	K378 N379 Y534	K378-D532 WeakPolarHBondContact CE-OD1 3.4Å; K378-D532 IonicContact NZ-OD1 3.31Å; K378-D532 PolarHBondContact NZ-OD1 3.37Å; N379-D532 WeakPolarHBondContact OD1-CA 3.3Å; N379-D532 PolarHBondContact OD1-N 3.38Å; D532-Y534 VanDerWaalsContact C-N 3.31Å; D532-Y534 HydrophobicContact CB-CD2 4.2Å; D532-Y534 HydrophobicContact CB-CE2 4.44Å
533	G	94.1	Very high	91	Very high	38 Å²	38	47.6 Å²	47.6	39%	0.392	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	-11.6	-175.5	0	0	0	0	0	115	K378 L531	K378-G533 VanDerWaalsContact O-CA 3.31Å; K378-G533 WeakPolarHBondContact O-CA 3.3Å; K378-G533 PolarHBondContact O-N 2.93Å; L531-G533 PolarHBondContact O-N 2.99Å
534	Y	94.3	Very high	92.4	Very high	163 Å²	163	43.7 Å²	43.7	64%	0.639	21%	0.207	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.2	173.6	-58.2	-85.4	0	0	0	110.8	R530 L531 D532 W536	R530-Y534 CarbonylContact C-O 3.51Å; R530-Y534 VanDerWaalsContact CA-O 3.26Å; R530-Y534 WeakPolarHBondContact CA-O 3.34Å; R530-Y534 WeakPolarHBondContact CG-O 3.44Å; L531-Y534 PolarHBondContact N-O 2.96Å; L531-Y534 WeakPolarHBondContact O-CB 3.28Å; L531-Y534 PolarHBondContact O-N 3Å; D532-Y534 VanDerWaalsContact C-N 3.31Å; D532-Y534 HydrophobicContact CB-CD2 4.2Å; D532-Y534 HydrophobicContact CB-CE2 4.44Å; Y534-W536 VanDerWaalsContact O-CD1 3.26Å
535	E	93.4	Very high	93.7	Very high	124 Å²	124	39 Å²	39	58%	0.579	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.7	177.3	-57.5	-165.2	140.1	0	0	110.6	F529 R530	F529-E535 WeakPolarHBondContact O-CA 3.45Å; R530-E535 HydrophobicContact CG-CG 4.39Å; R530-E535 IonicContact CZ-OE1 3.85Å; R530-E535 IonicContact NE-OE1 2.74Å; R530-E535 IonicContact NH2-OE1 3.17Å; R530-E535 PolarHBondContact NH2-OE1 3.31Å
536	W	93.9	Very high	94.3	Very high	41 Å²	41	40 Å²	40	16%	0.155	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	114.1	179.2	-60.6	70.5	0	0	0	108	I460 F529 Y534 V669 F675 K676	I460-W536 HydrophobicContact CD1-CB 4.07Å; I460-W536 HydrophobicContact CD1-CD2 4.49Å; I460-W536 HydrophobicContact CD1-CE3 4.17Å; I460-W536 HydrophobicContact CD1-CG 4.5Å; F529-W536 HydrophobicContact CB-CB 4.29Å; F529-W536 PolarHBondContact N-O 2.89Å; F529-W536 PolarHBondContact O-N 3.02Å; Y534-W536 VanDerWaalsContact O-CD1 3.26Å; W536-V669 HydrophobicContact CE3-CG1 4.3Å; W536-V669 HydrophobicContact CH2-CG1 3.74Å; W536-V669 HydrophobicContact CZ2-CG1 4.06Å; W536-V669 HydrophobicContact CZ3-CG1 3.88Å; W536-F675 HydrophobicContact CZ3-CB 4.09Å; W536-K676 HydrophobicContact CH2-CG 4.42Å
537	N	92.6	Very high	94.7	Very high	66 Å²	66	36.5 Å²	36.5	35%	0.353	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	106.6	-176.5	-62	-38.9	0	0	0	108.8	Y526 K528	Y526-N537 HydrophobicContact CD1-CB 3.94Å; Y526-N537 HydrophobicContact CG-CB 4.26Å; K528-N537 WeakPolarHBondContact CG-OD1 3.26Å
538	I	93.4	Very high	94.9	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.8	-177.2	-57.3	-56	0	0	0	109.5	L456 Q457 I460 Y526 V527 F529 K540 F678	L456-I538 HydrophobicContact CB-CD1 4.29Å; L456-I538 HydrophobicContact CB-CG2 4.09Å; Q457-I538 HydrophobicContact CG-CB 4.38Å; Q457-I538 HydrophobicContact CG-CG2 3.99Å; I460-I538 HydrophobicContact CD1-CD1 3.66Å; I460-I538 HydrophobicContact CD1-CG1 3.63Å; Y526-I538 CarbonylContact C-O 3.53Å; Y526-I538 WeakPolarHBondContact CA-O 3.19Å; V527-I538 PolarHBondContact N-O 2.88Å; V527-I538 PolarHBondContact O-N 2.96Å; F529-I538 HydrophobicContact CD2-CG1 4.13Å; F529-I538 HydrophobicContact CE2-CB 4.2Å; F529-I538 HydrophobicContact CE2-CG1 3.91Å; I538-K540 PolarHBondContact O-N 3.11Å; I538-F678 HydrophobicContact CD1-CD1 4.13Å; I538-F678 HydrophobicContact CG2-CD1 4.19Å; I538-F678 HydrophobicContact CG2-CE1 3.88Å
539	P	92.2	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	133.3	176.8	15	-22.8	0	0	0	111.1	S453 L517 Y526 F541 F678 F682	S453-P539 VanDerWaalsContact CB-O 3.28Å; S453-P539 WeakPolarHBondContact CB-O 3.41Å; S453-P539 PolarHBondContact OG-O 3.34Å; L517-P539 HydrophobicContact CD2-CB 3.43Å; L517-P539 VanDerWaalsContact CD2-CB 3.43Å; L517-P539 HydrophobicContact CD2-CG 4.09Å; Y526-P539 HydrophobicContact CD1-CB 3.94Å; Y526-P539 HydrophobicContact CD1-CG 4.18Å; Y526-P539 HydrophobicContact CE1-CB 3.83Å; Y526-P539 HydrophobicContact CE1-CG 3.89Å; P539-F541 HydrophobicContact CB-CD2 4.35Å; P539-F541 HydrophobicContact CB-CE2 3.85Å; P539-F541 HydrophobicContact CB-CZ 4.37Å; P539-F541 HydrophobicContact CG-CE2 3.85Å; P539-F541 HydrophobicContact CG-CZ 4.4Å; P539-F541 WeakPolarHBondContact O-CD2 3.33Å; P539-F678 HydrophobicContact CG-CD1 4.14Å; P539-F678 HydrophobicContact CG-CE1 3.71Å; P539-F682 HydrophobicContact CG-CD2 4.05Å; P539-F682 HydrophobicContact CG-CE2 3.96Å
540	K	92	Very high	95	Very high	23 Å²	23	35.6 Å²	35.6	10%	0.1	18%	0.176	C	C	.	.			trans	-69.8	-35.3	-169.2	-74.3	167.7	174.1	-179.8	0	114.4	S486 K524 S525 Y526 V527 I538 G542 Y543 I544	S486-K540 PolarHBondContact OG-NZ 3.26Å; K524-K540 WeakPolarHBondContact O-CD 3.45Å; K524-K540 WeakPolarHBondContact O-CE 3.35Å; K524-K540 PolarHBondContact O-NZ 3.43Å; S525-K540 WeakPolarHBondContact O-CB 3.32Å; S525-K540 WeakPolarHBondContact O-CG 3.39Å; S525-K540 PolarHBondContact O-N 2.91Å; Y526-K540 VanDerWaalsContact O-CE 3.32Å; Y526-K540 WeakPolarHBondContact O-CE 3.46Å; V527-K540 HydrophobicContact CG2-CD 4.35Å; V527-K540 HydrophobicContact CG2-CG 3.52Å; I538-K540 PolarHBondContact O-N 3.11Å; K540-G542 PolarHBondContact O-N 2.65Å; K540-Y543 WeakPolarHBondContact CB-O 3.5Å; K540-Y543 PolarHBondContact O-N 2.98Å; K540-I544 HydrophobicContact CD-CG1 4.17Å; K540-I544 HydrophobicContact CG-CG1 4.36Å
541	F	92	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	47	47.4	-166.1	-64.4	-83.3	0	0	0	112.1	C449 A450 Y513 T516 L517 P539 Y543 F678 F682	C449-F541 HydrophobicContact CB-CD1 3.43Å; C449-F541 VanDerWaalsContact CB-CD1 3.43Å; C449-F541 HydrophobicContact CB-CD2 4.12Å; C449-F541 HydrophobicContact CB-CE1 3.46Å; C449-F541 VanDerWaalsContact CB-CE1 3.46Å; C449-F541 HydrophobicContact CB-CE2 4.12Å; C449-F541 HydrophobicContact CB-CG 3.79Å; C449-F541 HydrophobicContact CB-CZ 3.83Å; C449-F541 WeakPolarHBondContact O-CD2 3.26Å; A450-F541 HydrophobicContact CB-CB 3.88Å; Y513-F541 WeakPolarHBondContact CD1-O 3.33Å; Y513-F541 WeakPolarHBondContact O-CA 3.38Å; T516-F541 WeakPolarHBondContact OG1-CA 3.36Å; L517-F541 HydrophobicContact CD1-CE1 3.55Å; L517-F541 HydrophobicContact CD1-CZ 3.71Å; L517-F541 HydrophobicContact CD2-CE1 3.97Å; L517-F541 HydrophobicContact CD2-CE2 4.31Å; L517-F541 HydrophobicContact CD2-CZ 3.68Å; L517-F541 HydrophobicContact CG-CD1 4.43Å; L517-F541 HydrophobicContact CG-CE1 3.62Å; L517-F541 HydrophobicContact CG-CZ 3.84Å; P539-F541 HydrophobicContact CB-CD2 4.35Å; P539-F541 HydrophobicContact CB-CE2 3.85Å; P539-F541 HydrophobicContact CB-CZ 4.37Å; P539-F541 HydrophobicContact CG-CE2 3.85Å; P539-F541 HydrophobicContact CG-CZ 4.4Å; P539-F541 WeakPolarHBondContact O-CD2 3.33Å; F541-Y543 VanDerWaalsContact C-N 3.34Å; F541-Y543 WeakPolarHBondContact O-CD2 3.28Å; F541-Y543 PolarHBondContact O-N 3.45Å; F541-F678 HydrophobicContact CE2-CE1 4.36Å; F541-F678 HydrophobicContact CE2-CZ 4.02Å; F541-F682 HydrophobicContact CE1-CE1 4.16Å; F541-F682 HydrophobicContact CE2-CE1 4.04Å; F541-F682 HydrophobicContact CE2-CE2 4.16Å; F541-F682 AromaticContact CE2-CZ 3.69Å; F541-F682 HydrophobicContact CE2-CZ 3.69Å; F541-F682 AromaticContact CZ-CD1 3.84Å; F541-F682 HydrophobicContact CZ-CD1 3.84Å; F541-F682 AromaticContact CZ-CE1 3.31Å; F541-F682 HydrophobicContact CZ-CE1 3.31Å; F541-F682 HydrophobicContact CZ-CE2 4.09Å; F541-F682 HydrophobicContact CZ-CG 4.44Å; F541-F682 AromaticContact CZ-CZ 3.45Å; F541-F682 HydrophobicContact CZ-CZ 3.45Å; F541-F682 VanDerWaalsContact CZ-CZ 3.45Å
542	G	91.2	Very high	94.7	Very high	11 Å²	11	34.7 Å²	34.7	11%	0.113	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-19.9	-175	0	0	0	0	0	116.6	H485 S486 T516 K540	H485-G542 CarbonylContact C-O 3.53Å; H485-G542 WeakPolarHBondContact CA-O 3.39Å; S486-G542 PolarHBondContact N-O 3.12Å; T516-G542 PolarHBondContact OG1-N 3.39Å; K540-G542 PolarHBondContact O-N 2.65Å
543	Y	95	Very high	94.9	Very high	12 Å²	12	32 Å²	32	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.1	-168.9	-64.9	-75.1	0	0	0	116.1	P445 A450 Q457 I483 S484 H485 Y513 K540 F541	P445-Y543 HydrophobicContact CB-CD2 4.49Å; P445-Y543 HydrophobicContact CB-CE2 3.77Å; P445-Y543 HydrophobicContact CG-CD2 3.9Å; P445-Y543 HydrophobicContact CG-CE2 3.43Å; P445-Y543 VanDerWaalsContact CG-CE2 3.43Å; A450-Y543 HydrophobicContact CB-CD2 3.95Å; A450-Y543 HydrophobicContact CB-CE2 4.19Å; Q457-Y543 PolarHBondContact NE2-O 3.02Å; Q457-Y543 VanDerWaalsContact NE2-O 3.09Å; I483-Y543 HydrophobicContact CB-CD1 3.96Å; I483-Y543 HydrophobicContact CD1-CD1 4.03Å; I483-Y543 HydrophobicContact CD1-CE1 3.86Å; I483-Y543 HydrophobicContact CG1-CD1 4.32Å; I483-Y543 HydrophobicContact CG1-CE1 4.44Å; S484-Y543 WeakPolarHBondContact O-CA 3.46Å; H485-Y543 AromaticContact CD2-CE1 3.87Å; H485-Y543 AromaticContact CE1-CE1 3.79Å; H485-Y543 AromaticContact NE2-CE1 3.57Å; H485-Y543 AromaticContact NE2-CZ 3.67Å; H485-Y543 PolarHBondContact NE2-OH 3.11Å; Y513-Y543 HydrophobicContact CD1-CD2 4.39Å; Y513-Y543 AromaticContact CD1-CE2 3.69Å; Y513-Y543 HydrophobicContact CD1-CE2 3.69Å; Y513-Y543 HydrophobicContact CE1-CD2 4.44Å; Y513-Y543 AromaticContact CE1-CE2 3.38Å; Y513-Y543 HydrophobicContact CE1-CE2 3.38Å; Y513-Y543 AromaticContact CE1-CZ 3.7Å; Y513-Y543 WeakPolarHBondContact CE1-OH 3.43Å; Y513-Y543 PolarHBondContact OH-OH 2.96Å; K540-Y543 WeakPolarHBondContact CB-O 3.5Å; K540-Y543 PolarHBondContact O-N 2.98Å; F541-Y543 VanDerWaalsContact C-N 3.34Å; F541-Y543 WeakPolarHBondContact O-CD2 3.28Å; F541-Y543 PolarHBondContact O-N 3.45Å
544	I	96.6	Very high	95	Very high	33 Å²	33	30.4 Å²	30.4	17%	0.169	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.3	165.1	-52.5	176.1	0	0	0	108.3	S484 V527 K540	S484-I544 PolarHBondContact N-O 2.96Å; S484-I544 PolarHBondContact O-N 3.29Å; S484-I544 PolarHBondContact OG-O 2.83Å; V527-I544 HydrophobicContact CG2-CG1 4.2Å; V527-I544 HydrophobicContact CG2-CG2 4.39Å; K540-I544 HydrophobicContact CD-CG1 4.17Å; K540-I544 HydrophobicContact CG-CG1 4.36Å
545	V	98.3	Very high	95	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.012	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.5	-178.5	-175.1	0	0	0	0	111.7	G383 I454 Q457 I458 V481 L482 I483 L547	G383-V545 WeakPolarHBondContact CA-O 3.24Å; I454-V545 HydrophobicContact CB-CG2 3.96Å; I454-V545 HydrophobicContact CG1-CG2 3.76Å; I454-V545 HydrophobicContact CG2-CG2 3.85Å; Q457-V545 HydrophobicContact CB-CB 4.13Å; Q457-V545 HydrophobicContact CB-CG2 4.01Å; I458-V545 HydrophobicContact CD1-CG1 4.17Å; I458-V545 HydrophobicContact CG1-CG1 3.7Å; V481-V545 HydrophobicContact CG1-CG1 3.64Å; L482-V545 CarbonylContact O-C 3.53Å; L482-V545 WeakPolarHBondContact O-CA 3.32Å; I483-V545 HydrophobicContact CG2-CG2 4.31Å; V545-L547 HydrophobicContact CG1-CD2 4.32Å
546	H	98.6	Very high	94.9	Very high	28 Å²	28	19 Å²	19	13%	0.13	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	128.7	169	-51.3	80.7	0	0	0	110.2	C382 G383 C436 L482	C382-H546 PolarHBondContact O-CD2 2.65Å; G383-H546 CarbonylContact O-C 3.4Å; G383-H546 WeakPolarHBondContact O-CA 3.25Å; C436-H546 HydrophobicContact CB-CB 3.78Å; C436-H546 PolarHBondContact SG-CD2 3.45Å; C436-H546 VanDerWaalsContact SG-CG 3.52Å; L482-H546 HydrophobicContact CB-CB 4.49Å; L482-H546 WeakPolarHBondContact CB-O 3.34Å; L482-H546 PolarHBondContact N-O 3.44Å; L482-H546 PolarHBondContact O-N 3.46Å
547	L	98.8	Very high	94.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	143.9	174.1	-55.7	-169.7	0	0	0	110.7	G383 F384 V385 I458 L462 L476 V481 V545 F550	G383-L547 WeakPolarHBondContact O-CG 3.37Å; G383-L547 PolarHBondContact O-N 3.35Å; F384-L547 HydrophobicContact CD1-CB 3.84Å; F384-L547 HydrophobicContact CD1-CD1 4.36Å; F384-L547 HydrophobicContact CD1-CG 4.48Å; F384-L547 HydrophobicContact CE1-CB 4.13Å; F384-L547 HydrophobicContact CE1-CD1 3.84Å; F384-L547 HydrophobicContact CE1-CG 4.44Å; F384-L547 HydrophobicContact CZ-CD1 4.34Å; V385-L547 PolarHBondContact N-O 3.1Å; I458-L547 HydrophobicContact CG1-CD2 4.05Å; I458-L547 HydrophobicContact CG2-CD1 4.45Å; I458-L547 HydrophobicContact CG2-CD2 4.39Å; L462-L547 HydrophobicContact CD2-CD1 4.07Å; L462-L547 HydrophobicContact CG-CD1 4.34Å; L476-L547 HydrophobicContact CD1-CD1 4.11Å; L476-L547 HydrophobicContact CD1-CD2 3.62Å; L476-L547 HydrophobicContact CD1-CG 4.32Å; L476-L547 HydrophobicContact CD2-CD1 4.06Å; V481-L547 HydrophobicContact CG1-CD2 4.38Å; V481-L547 HydrophobicContact CG2-CD2 4.01Å; V545-L547 HydrophobicContact CG1-CD2 4.32Å; L547-F550 WeakPolarHBondContact O-CZ 3.43Å
548	I	97.6	Very high	93.7	Very high	36 Å²	36	21.5 Å²	21.5	19%	0.185	11%	0.112	C	C	.	.			trans	-138.4	171.9	-176.5	65.7	163.8	0	0	0	112.3	V385 H473 N480 L482	V385-I548 HydrophobicContact CB-CG2 3.86Å; V385-I548 HydrophobicContact CG1-CB 4.42Å; V385-I548 HydrophobicContact CG1-CG2 3.77Å; H473-I548 PolarHBondContact CE1-O 3.03Å; H473-I548 PolarHBondContact NE2-O 3.29Å; N480-I548 HydrophobicContact CB-CG1 4.22Å; N480-I548 WeakPolarHBondContact CB-O 3.49Å; N480-I548 WeakPolarHBondContact O-CG1 3.4Å; N480-I548 PolarHBondContact O-N 3.21Å; L482-I548 HydrophobicContact CD1-CD1 4.18Å; L482-I548 HydrophobicContact CD1-CG2 3.55Å; L482-I548 HydrophobicContact CD2-CD1 3.92Å; L482-I548 HydrophobicContact CG-CD1 3.88Å; L482-I548 HydrophobicContact CG-CG1 4.23Å; L482-I548 HydrophobicContact CG-CG2 3.78Å
549	D	95.7	Very high	92.8	Very high	42 Å²	42	29.4 Å²	29.4	23%	0.225	15%	0.149	C	C	.	.			trans	53.6	98	-175.8	-145.9	-47	0	0	0	115.2	K339 H473 T551	K339-D549 IonicContact NZ-OD1 3.32Å; K339-D549 IonicContact NZ-OD2 3.98Å; K339-D549 PolarHBondContact NZ-OD2 3.08Å; H473-D549 PolarHBondContact CE1-O 3.09Å; D549-T551 WeakPolarHBondContact OD1-CB 3.35Å; D549-T551 PolarHBondContact OD1-N 3.23Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å
550	F	96.4	Very high	92.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.018	15%	0.149	C	C	.	.			trans	-104.7	19.9	-179.2	-46.6	-52	0	0	0	112.3	V366 L370 F384 V385 F471 H473 L547 M552 S553	V366-F550 HydrophobicContact CB-CB 4.1Å; V366-F550 HydrophobicContact CG1-CB 3.56Å; V366-F550 HydrophobicContact CG1-CD2 4.38Å; V366-F550 HydrophobicContact CG1-CG 3.95Å; L370-F550 HydrophobicContact CD1-CD1 3.7Å; L370-F550 HydrophobicContact CD1-CD2 3.78Å; L370-F550 HydrophobicContact CD1-CE1 3.63Å; L370-F550 HydrophobicContact CD1-CE2 3.69Å; L370-F550 HydrophobicContact CD1-CG 3.79Å; L370-F550 HydrophobicContact CD1-CZ 3.62Å; F384-F550 HydrophobicContact CB-CZ 4.38Å; F384-F550 AromaticContact CD1-CE1 3.92Å; F384-F550 HydrophobicContact CD1-CE1 3.92Å; F384-F550 AromaticContact CD1-CZ 3.88Å; F384-F550 HydrophobicContact CD1-CZ 3.88Å; F384-F550 HydrophobicContact CE1-CE1 4.45Å; V385-F550 HydrophobicContact CG1-CE2 4.13Å; V385-F550 HydrophobicContact CG1-CZ 4.3Å; F471-F550 HydrophobicContact CZ-CD1 4.36Å; H473-F550 AromaticContact NE2-CD1 3.97Å; H473-F550 AromaticContact NE2-CE1 3.73Å; L547-F550 WeakPolarHBondContact O-CZ 3.43Å; F550-M552 VanDerWaalsContact C-N 3.3Å; F550-M552 PolarHBondContact O-N 2.95Å; F550-S553 WeakPolarHBondContact CA-OG 3.41Å; F550-S553 WeakPolarHBondContact O-CB 3.39Å; F550-S553 PolarHBondContact O-N 3Å; F550-S553 VanDerWaalsContact O-N 3.15Å
551	T	93.5	Very high	92.1	Very high	20 Å²	20	30.9 Å²	30.9	12%	0.123	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.9	-178.3	-65.9	0	0	0	0	112.4	K355 E363 D549 V564	K355-T551 PolarHBondContact NZ-OG1 3.04Å; K355-T551 VanDerWaalsContact NZ-OG1 3.08Å; E363-T551 PolarHBondContact OE2-OG1 2.96Å; D549-T551 WeakPolarHBondContact OD1-CB 3.35Å; D549-T551 PolarHBondContact OD1-N 3.23Å; D549-T551 PolarHBondContact OD1-OG1 2.98Å; T551-V564 WeakPolarHBondContact O-CG2 3.34Å
552	M	95.6	Very high	92	Very high	22 Å²	22	30.9 Å²	30.9	11%	0.108	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.9	-178.5	-63	-163.2	-172.7	0	0	113.9	T119 R474 D475 F550 L566 L572 Y584	T119-M552 HydrophobicContact CG2-CE 4.43Å; R474-M552 HydrophobicContact CB-CB 4.12Å; R474-M552 WeakPolarHBondContact CB-O 3.24Å; R474-M552 VanDerWaalsContact CD-O 3.25Å; R474-M552 WeakPolarHBondContact CD-O 3.35Å; D475-M552 HydrophobicContact CB-CB 4.13Å; D475-M552 HydrophobicContact CB-CG 4.26Å; D475-M552 HydrophobicContact CB-SD 4.14Å; F550-M552 VanDerWaalsContact C-N 3.3Å; F550-M552 PolarHBondContact O-N 2.95Å; M552-L566 HydrophobicContact CB-CD1 4.4Å; M552-L566 HydrophobicContact CB-CD2 3.93Å; M552-L566 HydrophobicContact CG-CD2 3.82Å; M552-L566 HydrophobicContact SD-CD1 4.01Å; M552-L566 HydrophobicContact SD-CD2 3.85Å; M552-L572 HydrophobicContact CE-CD1 4.09Å; M552-L572 HydrophobicContact CE-CD2 4.3Å; M552-L572 HydrophobicContact SD-CD2 4.2Å; M552-Y584 HydrophobicContact SD-CE1 4.13Å
553	S	97.6	Very high	92.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.014	15%	0.154	C	C	.	.			trans	-69.7	164.7	-167.4	-63	0	0	0	0	113.7	E472 H473 F550	E472-S553 WeakPolarHBondContact O-CA 3.31Å; E472-S553 WeakPolarHBondContact O-CB 3.47Å; H473-S553 WeakPolarHBondContact O-CA 3.34Å; H473-S553 PolarHBondContact O-OG 2.94Å; F550-S553 WeakPolarHBondContact CA-OG 3.41Å; F550-S553 WeakPolarHBondContact O-CB 3.39Å; F550-S553 PolarHBondContact O-N 3Å; F550-S553 VanDerWaalsContact O-N 3.15Å
554	R	96.8	Very high	91.9	Very high	4 Å²	4	32 Å²	32	2%	0.015	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	134.8	176.7	176.1	-106.5	-171.2	-112.4	-13.9	110	K470 F471 E472 E556 L561 V562 K596 K597	K470-R554 PolarHBondContact O-NH1 3.03Å; F471-R554 CarbonylContact C-O 3.52Å; F471-R554 WeakPolarHBondContact CA-O 3.42Å; E472-R554 HydrophobicContact CB-CB 4.39Å; E472-R554 PolarHBondContact N-O 3.19Å; E472-R554 PolarHBondContact O-N 3.16Å; E472-R554 WeakPolarHBondContact OE1-CD 3.43Å; E472-R554 IonicContact OE1-NE 3.58Å; R554-E556 IonicContact CZ-OE2 3.62Å; R554-E556 VanDerWaalsContact NH1-CB 3.34Å; R554-E556 IonicContact NH1-OE2 2.65Å; R554-E556 PolarHBondContact NH1-OE2 2.76Å; R554-E556 IonicContact NH2-OE2 2.72Å; R554-E556 PolarHBondContact NH2-OE2 2.93Å; R554-L561 HydrophobicContact CG-CD1 4.44Å; R554-V562 CarbonylContact C-O 3.57Å; R554-V562 VanDerWaalsContact CA-O 3.31Å; R554-V562 WeakPolarHBondContact CA-O 3.35Å; R554-K596 PolarHBondContact NE-O 2.98Å; R554-K596 PolarHBondContact NH2-O 3.18Å; R554-K597 PolarHBondContact NE-O 3.1Å
555	L	94.4	Very high	91.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.3	170.5	71.5	72.8	0	0	0	111	L271 V366 E369 L469 F471 V562	L271-L555 HydrophobicContact CD1-CD1 4.42Å; V366-L555 HydrophobicContact CB-CD2 4.16Å; V366-L555 HydrophobicContact CG1-CD2 4.18Å; V366-L555 HydrophobicContact CG2-CD2 3.89Å; V366-L555 HydrophobicContact CG2-CG 4.08Å; E369-L555 HydrophobicContact CB-CD2 3.87Å; E369-L555 HydrophobicContact CG-CD2 4.25Å; L469-L555 HydrophobicContact CB-CB 4.28Å; L469-L555 HydrophobicContact CD1-CD2 4.42Å; L469-L555 CarbonylContact O-C 3.5Å; L469-L555 WeakPolarHBondContact O-CA 3.4Å; L469-L555 WeakPolarHBondContact O-CB 3.32Å; F471-L555 HydrophobicContact CD2-CB 4.39Å; L555-V562 HydrophobicContact CD1-CB 4.34Å; L555-V562 HydrophobicContact CG-CB 4.46Å; L555-V562 PolarHBondContact N-O 3.22Å; L555-V562 PolarHBondContact O-N 3.43Å
556	E	90	Very high	91.7	Very high	47 Å²	47	33.1 Å²	33.1	22%	0.22	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	119.9	177.4	-178.2	-157.3	143.3	0	0	110.4	L469 K470 R554 G560 L561	L469-E556 CarbonylContact C-O 3.6Å; L469-E556 PolarHBondContact O-N 2.8Å; L469-E556 VanDerWaalsContact O-O 3.14Å; K470-E556 HydrophobicContact CB-CB 4.21Å; K470-E556 HydrophobicContact CD-CB 4.06Å; K470-E556 HydrophobicContact CD-CG 4.2Å; K470-E556 WeakPolarHBondContact CD-OE2 3.47Å; K470-E556 IonicContact NZ-OE1 2.7Å; K470-E556 PolarHBondContact NZ-OE1 3.06Å; K470-E556 IonicContact NZ-OE2 3.84Å; R554-E556 IonicContact CZ-OE2 3.62Å; R554-E556 VanDerWaalsContact NH1-CB 3.34Å; R554-E556 IonicContact NH1-OE2 2.65Å; R554-E556 PolarHBondContact NH1-OE2 2.76Å; R554-E556 IonicContact NH2-OE2 2.72Å; R554-E556 PolarHBondContact NH2-OE2 2.93Å; E556-G560 VanDerWaalsContact CA-O 3.3Å; E556-G560 WeakPolarHBondContact CA-O 3.5Å; E556-L561 HydrophobicContact CB-CD1 3.97Å; E556-L561 HydrophobicContact CG-CB 4.35Å; E556-L561 HydrophobicContact CG-CD1 4.3Å
557	Q	83.2	Confident	91.5	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.2	178.7	175.4	175.7	58.7	0	0	110.2	M269 L271 E468 L469 E559 G560	M269-Q557 VanDerWaalsContact CE-CD 3.47Å; L271-Q557 HydrophobicContact CD1-CB 3.86Å; L271-Q557 HydrophobicContact CD1-CG 4.42Å; E468-Q557 PolarHBondContact O-NE2 3.37Å; E468-Q557 VanDerWaalsContact O-NE2 3.13Å; L469-Q557 HydrophobicContact CD2-CB 4.09Å; L469-Q557 VanDerWaalsContact CD2-CD 3.44Å; L469-Q557 HydrophobicContact CD2-CG 4.36Å; L469-Q557 VanDerWaalsContact CD2-OE1 3.26Å; Q557-E559 VanDerWaalsContact C-N 3.27Å; Q557-E559 PolarHBondContact O-N 2.89Å; Q557-G560 PolarHBondContact N-O 3.41Å; Q557-G560 WeakPolarHBondContact O-CA 3.32Å; Q557-G560 PolarHBondContact O-N 3.45Å
558	D	78.4	Confident	91.2	Very high	139 Å²	139	38.9 Å²	38.9	74%	0.743	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	46	48.6	176.4	-61	-21.6	0	0	0	113.5	G560	D558-G560 PolarHBondContact O-N 3.13Å; D558-G560 VanDerWaalsContact O-N 3.11Å
559	E	75.2	Confident	90.8	Very high	170 Å²	170	40 Å²	40	79%	0.794	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	-10.8	-175.8	-52.5	175.5	165.7	0	0	115.6	Q557 L561	Q557-E559 VanDerWaalsContact C-N 3.27Å; Q557-E559 PolarHBondContact O-N 2.89Å; E559-L561 PolarHBondContact O-N 2.92Å
560	G	81.1	Confident	90.6	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	105.6	172.6	0	0	0	0	0	112.5	E556 Q557 D558	E556-G560 VanDerWaalsContact CA-O 3.3Å; E556-G560 WeakPolarHBondContact CA-O 3.5Å; Q557-G560 PolarHBondContact N-O 3.41Å; Q557-G560 WeakPolarHBondContact O-CA 3.32Å; Q557-G560 PolarHBondContact O-N 3.45Å; D558-G560 PolarHBondContact O-N 3.13Å; D558-G560 VanDerWaalsContact O-N 3.11Å
561	L	88.3	Confident	90.3	Very high	53 Å²	53	43.5 Å²	43.5	28%	0.277	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.7	173.1	174	64.6	0	0	0	110.8	R554 E556 E559 Y563 K596	R554-L561 HydrophobicContact CG-CD1 4.44Å; E556-L561 HydrophobicContact CB-CD1 3.97Å; E556-L561 HydrophobicContact CG-CB 4.35Å; E556-L561 HydrophobicContact CG-CD1 4.3Å; E559-L561 PolarHBondContact O-N 2.92Å; L561-Y563 HydrophobicContact CD1-CD1 4.39Å; L561-Y563 HydrophobicContact CD2-CD1 4.11Å; L561-Y563 HydrophobicContact CD2-CE1 4.35Å; L561-Y563 HydrophobicContact CG-CD1 3.97Å; L561-K596 HydrophobicContact CD2-CB 4.44Å
562	V	89.3	Confident	90.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.9	171.2	179	0	0	0	0	108.6	I365 V366 R554 L555	I365-V562 HydrophobicContact CB-CG2 4.33Å; I365-V562 HydrophobicContact CD1-CG2 4.03Å; I365-V562 HydrophobicContact CG2-CG2 3.87Å; V366-V562 HydrophobicContact CG2-CG1 4.07Å; R554-V562 CarbonylContact C-O 3.57Å; R554-V562 VanDerWaalsContact CA-O 3.31Å; R554-V562 WeakPolarHBondContact CA-O 3.35Å; L555-V562 HydrophobicContact CD1-CB 4.34Å; L555-V562 HydrophobicContact CG-CB 4.46Å; L555-V562 PolarHBondContact N-O 3.22Å; L555-V562 PolarHBondContact O-N 3.43Å
563	Y	93.6	Very high	90.2	Very high	10 Å²	10	42.6 Å²	42.6	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	158.6	-179.3	77	-70.8	0	0	0	110.2	L561 D565 W595 K596	L561-Y563 HydrophobicContact CD1-CD1 4.39Å; L561-Y563 HydrophobicContact CD2-CD1 4.11Å; L561-Y563 HydrophobicContact CD2-CE1 4.35Å; L561-Y563 HydrophobicContact CG-CD1 3.97Å; Y563-D565 HydrophobicContact CE2-CB 3.91Å; Y563-W595 HydrophobicContact CD2-CB 4.26Å; Y563-W595 VanDerWaalsContact CD2-O 3.32Å; Y563-W595 WeakPolarHBondContact CD2-O 3.06Å; Y563-W595 HydrophobicContact CE2-CB 4.46Å; Y563-K596 HydrophobicContact CD1-CG 4.48Å; Y563-K596 HydrophobicContact CD2-CG 4.38Å; Y563-K596 HydrophobicContact CE1-CG 3.78Å; Y563-K596 HydrophobicContact CE2-CG 3.65Å; Y563-K596 WeakPolarHBondContact OH-CE 3.38Å; Y563-K596 WeakPolarHBondContact OH-CG 3.42Å
564	V	92	Very high	90	Very high	36 Å²	36	49.8 Å²	49.8	22%	0.218	26%	0.264	C	S	.	.			trans	-105.5	137.2	163.6	178.6	0	0	0	0	109.4	T551 L566	T551-V564 WeakPolarHBondContact O-CG2 3.34Å; V564-L566 HydrophobicContact CB-CD2 4.46Å; V564-L566 HydrophobicContact CG1-CD2 4.05Å; V564-L566 PolarHBondContact O-N 3.42Å
565	D	94.9	Very high	89.7	Confident	51 Å²	51	50.9 Å²	50.9	27%	0.273	27%	0.272	S	S	.	.			trans	-85.8	96	177.3	-169.9	-18	0	0	0	110.2	Y563 S567 T568	Y563-D565 HydrophobicContact CE2-CB 3.91Å; D565-S567 VanDerWaalsContact CG-OG 3.27Å; D565-S567 PolarHBondContact O-N 3.29Å; D565-S567 WeakPolarHBondContact OD1-CB 3.26Å; D565-S567 PolarHBondContact OD1-N 3.02Å; D565-S567 PolarHBondContact OD1-OG 3.3Å; D565-S567 PolarHBondContact OD2-OG 3.34Å; D565-T568 HydrophobicContact CB-CG2 4.4Å; D565-T568 PolarHBondContact O-N 3.17Å; D565-T568 PolarHBondContact O-OG1 2.98Å
566	L	95.4	Very high	89.6	Confident	8 Å²	8	58.6 Å²	58.6	4%	0.042	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-69	-5.8	-178.5	-50.8	-175.1	0	0	0	113	R474 M552 V564 T568 D569 L572 F573 W595	R474-L566 HydrophobicContact CB-CD1 4.5Å; M552-L566 HydrophobicContact CB-CD1 4.4Å; M552-L566 HydrophobicContact CB-CD2 3.93Å; M552-L566 HydrophobicContact CG-CD2 3.82Å; M552-L566 HydrophobicContact SD-CD1 4.01Å; M552-L566 HydrophobicContact SD-CD2 3.85Å; V564-L566 HydrophobicContact CB-CD2 4.46Å; V564-L566 HydrophobicContact CG1-CD2 4.05Å; V564-L566 PolarHBondContact O-N 3.42Å; L566-T568 PolarHBondContact O-N 3Å; L566-D569 PolarHBondContact O-N 3.27Å; L566-L572 HydrophobicContact CB-CD2 4.22Å; L566-L572 HydrophobicContact CD1-CD2 4.14Å; L566-F573 HydrophobicContact CB-CZ 4.05Å; L566-F573 VanDerWaalsContact O-CE2 3.23Å; L566-F573 WeakPolarHBondContact O-CE2 3.14Å; L566-F573 WeakPolarHBondContact O-CZ 3.28Å; L566-W595 HydrophobicContact CB-CD2 3.9Å; L566-W595 HydrophobicContact CB-CE3 4.25Å; L566-W595 HydrophobicContact CB-CG 4.4Å; L566-W595 HydrophobicContact CB-CH2 4.31Å; L566-W595 HydrophobicContact CB-CZ2 3.97Å; L566-W595 HydrophobicContact CB-CZ3 4.44Å; L566-W595 HydrophobicContact CD1-CD2 4.47Å; L566-W595 HydrophobicContact CD1-CE3 3.97Å; L566-W595 HydrophobicContact CD1-CH2 3.92Å; L566-W595 HydrophobicContact CD1-CZ2 4.42Å; L566-W595 HydrophobicContact CD1-CZ3 3.67Å; L566-W595 HydrophobicContact CG-CD2 4.15Å; L566-W595 HydrophobicContact CG-CE3 4.04Å; L566-W595 HydrophobicContact CG-CZ3 4.23Å
567	S	94.8	Very high	89.7	Confident	39 Å²	39	59.9 Å²	59.9	27%	0.273	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-68.9	-18.8	173.9	75.8	0	0	0	0	113.5	D565 D569 N593	D565-S567 VanDerWaalsContact CG-OG 3.27Å; D565-S567 PolarHBondContact O-N 3.29Å; D565-S567 WeakPolarHBondContact OD1-CB 3.26Å; D565-S567 PolarHBondContact OD1-N 3.02Å; D565-S567 PolarHBondContact OD1-OG 3.3Å; D565-S567 PolarHBondContact OD2-OG 3.34Å; S567-D569 PolarHBondContact O-N 3.26Å; S567-N593 VanDerWaalsContact CB-ND2 3.26Å; S567-N593 WeakPolarHBondContact CB-ND2 3.4Å
568	T	91.3	Very high	90.2	Very high	109 Å²	109	61.2 Å²	61.2	67%	0.669	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-73.3	-13.9	176.6	65.1	0	0	0	0	113.4	D565 L566 P570	D565-T568 HydrophobicContact CB-CG2 4.4Å; D565-T568 PolarHBondContact O-N 3.17Å; D565-T568 PolarHBondContact O-OG1 2.98Å; L566-T568 PolarHBondContact O-N 3Å; T568-P570 WeakPolarHBondContact O-CD 3.38Å
569	D	89.4	Confident	91	Very high	59 Å²	59	57.4 Å²	57.4	32%	0.316	32%	0.317	S	S	.	.			trans	-113.8	91.4	170.2	-179.1	8.6	0	0	0	111.6	L566 S567 T571 L572 F573	L566-D569 PolarHBondContact O-N 3.27Å; S567-D569 PolarHBondContact O-N 3.26Å; D569-T571 PolarHBondContact O-N 3.24Å; D569-T571 WeakPolarHBondContact OD1-CA 3.43Å; D569-T571 VanDerWaalsContact OD1-CB 3.28Å; D569-T571 WeakPolarHBondContact OD1-CB 3.43Å; D569-T571 PolarHBondContact OD1-N 3.27Å; D569-T571 PolarHBondContact OD1-OG1 3.01Å; D569-T571 PolarHBondContact OD2-OG1 3.17Å; D569-L572 HydrophobicContact CB-CB 4.45Å; D569-L572 PolarHBondContact OD1-N 3.45Å; D569-F573 WeakPolarHBondContact O-CD2 3.42Å; D569-F573 WeakPolarHBondContact O-CE2 3.42Å
570	P	90.7	Very high	92	Very high	69 Å²	69	49.9 Å²	49.9	45%	0.448	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.6	172.9	-21.9	34.5	0	0	0	114.6	T568 K574	T568-P570 WeakPolarHBondContact O-CD 3.38Å; P570-K574 WeakPolarHBondContact O-CG 3.47Å
571	T	91	Very high	92.7	Very high	52 Å²	52	50.4 Å²	50.4	32%	0.319	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-38.9	-177.8	75.4	0	0	0	0	111.2	D569 F573 K574 S575	D569-T571 PolarHBondContact O-N 3.24Å; D569-T571 WeakPolarHBondContact OD1-CA 3.43Å; D569-T571 VanDerWaalsContact OD1-CB 3.28Å; D569-T571 WeakPolarHBondContact OD1-CB 3.43Å; D569-T571 PolarHBondContact OD1-N 3.27Å; D569-T571 PolarHBondContact OD1-OG1 3.01Å; D569-T571 PolarHBondContact OD2-OG1 3.17Å; T571-F573 PolarHBondContact O-N 3.37Å; T571-K574 WeakPolarHBondContact O-CB 2.96Å; T571-K574 PolarHBondContact O-N 3.22Å; T571-S575 PolarHBondContact O-N 3.43Å; T571-S575 PolarHBondContact O-OG 3.2Å
572	L	91	Very high	93.2	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.031	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.4	-41.2	173.3	-171.2	63.9	0	0	0	114	T119 M552 L566 D569 Y584	T119-L572 HydrophobicContact CG2-CD1 3.78Å; M552-L572 HydrophobicContact CE-CD1 4.09Å; M552-L572 HydrophobicContact CE-CD2 4.3Å; M552-L572 HydrophobicContact SD-CD2 4.2Å; L566-L572 HydrophobicContact CB-CD2 4.22Å; L566-L572 HydrophobicContact CD1-CD2 4.14Å; D569-L572 HydrophobicContact CB-CB 4.45Å; D569-L572 PolarHBondContact OD1-N 3.45Å; L572-Y584 HydrophobicContact CD1-CD1 4.04Å; L572-Y584 HydrophobicContact CD1-CD2 3.67Å; L572-Y584 HydrophobicContact CD1-CE1 3.89Å; L572-Y584 HydrophobicContact CD1-CE2 3.54Å; L572-Y584 HydrophobicContact CD1-CG 3.97Å; L572-Y584 HydrophobicContact CD2-CD1 3.96Å; L572-Y584 HydrophobicContact CD2-CE1 4.26Å; L572-Y584 HydrophobicContact CD2-CG 4.27Å; L572-Y584 HydrophobicContact CG-CD1 4Å; L572-Y584 HydrophobicContact CG-CD2 3.96Å; L572-Y584 HydrophobicContact CG-CE1 4.32Å; L572-Y584 HydrophobicContact CG-CE2 4.33Å; L572-Y584 HydrophobicContact CG-CG 3.84Å
573	F	95.1	Very high	93.6	Very high	17 Å²	17	49.7 Å²	49.7	8%	0.075	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-15.1	-178	-49.9	-68.6	0	0	0	114.4	L566 D569 T571 R585 K588 W595	L566-F573 HydrophobicContact CB-CZ 4.05Å; L566-F573 VanDerWaalsContact O-CE2 3.23Å; L566-F573 WeakPolarHBondContact O-CE2 3.14Å; L566-F573 WeakPolarHBondContact O-CZ 3.28Å; D569-F573 WeakPolarHBondContact O-CD2 3.42Å; D569-F573 WeakPolarHBondContact O-CE2 3.42Å; T571-F573 PolarHBondContact O-N 3.37Å; F573-R585 PolarHBondContact O-NH1 2.75Å; F573-K588 HydrophobicContact CB-CD 4.36Å; F573-K588 HydrophobicContact CD1-CB 3.93Å; F573-K588 HydrophobicContact CD1-CD 3.57Å; F573-K588 HydrophobicContact CD1-CG 4.37Å; F573-K588 HydrophobicContact CD2-CD 3.81Å; F573-K588 HydrophobicContact CE1-CB 3.72Å; F573-K588 HydrophobicContact CE1-CD 3.74Å; F573-K588 HydrophobicContact CE1-CG 4.23Å; F573-K588 HydrophobicContact CE2-CD 3.94Å; F573-K588 HydrophobicContact CG-CD 3.61Å; F573-K588 HydrophobicContact CZ-CB 4.4Å; F573-K588 HydrophobicContact CZ-CD 3.91Å; F573-W595 HydrophobicContact CE1-CH2 4.28Å; F573-W595 AromaticContact CE1-CZ2 3.82Å; F573-W595 HydrophobicContact CE1-CZ2 3.82Å; F573-W595 HydrophobicContact CZ-CH2 4.44Å; F573-W595 AromaticContact CZ-CZ2 3.65Å; F573-W595 HydrophobicContact CZ-CZ2 3.65Å
574	K	94.2	Very high	93.8	Very high	153 Å²	153	49.3 Å²	49.3	67%	0.665	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-24.4	179.9	-69.5	175.6	-177.8	-178.3	0	112.8	P570 T571 Q576	P570-K574 WeakPolarHBondContact O-CG 3.47Å; T571-K574 WeakPolarHBondContact O-CB 2.96Å; T571-K574 PolarHBondContact O-N 3.22Å; K574-Q576 WeakPolarHBondContact O-CG 3.47Å
575	S	90.3	Very high	94.1	Very high	26 Å²	26	51.3 Å²	51.3	18%	0.182	28%	0.282	C	S	.	.			trans	-56.5	148.2	178.3	-61.3	0	0	0	0	112.7	T571 F581 R585	T571-S575 PolarHBondContact O-N 3.43Å; T571-S575 PolarHBondContact O-OG 3.2Å; S575-F581 VanDerWaalsContact CB-CD1 3.44Å; S575-F581 WeakPolarHBondContact O-CB 3.39Å; S575-R585 PolarHBondContact O-NH1 3.17Å
576	Q	92.6	Very high	94.2	Very high	163 Å²	163	52.3 Å²	52.3	76%	0.762	29%	0.285	S	S	*	.			trans	-137.5	170.9	-174.5	-58.4	-175.4	11	0	0	110.4	K574 F581	K574-Q576 WeakPolarHBondContact O-CG 3.47Å; Q576-F581 WeakPolarHBondContact O-CD2 3.39Å; Q576-F581 WeakPolarHBondContact O-CE2 3.38Å
577	G	91.5	Very high	94.4	Very high	74 Å²	74	52 Å²	52	76%	0.763	28%	0.283	S	S	*	.	S	Bend	trans	113.9	-88.9	179.8	0	0	0	0	0	111.6
578	D	93.2	Very high	94.5	Very high	48 Å²	48	53.3 Å²	53.3	26%	0.257	29%	0.285	S	S	.	.	S	Bend	trans	-79.4	149	-178.9	-171	-94.9	0	0	0	113.3	Q580 F581 Y609 K613	D578-Q580 HydrophobicContact CB-CG 4.09Å; D578-Q580 PolarHBondContact O-N 2.93Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.46Å; D578-Q580 WeakPolarHBondContact OD1-CG 3.45Å; D578-Q580 PolarHBondContact OD1-N 3.12Å; D578-F581 HydrophobicContact CB-CD2 4.34Å; D578-F581 HydrophobicContact CB-CE2 4.26Å; D578-F581 VanDerWaalsContact O-CD2 3.27Å; D578-F581 WeakPolarHBondContact O-CD2 3.15Å; D578-F581 PolarHBondContact O-N 3.32Å; D578-Y609 VanDerWaalsContact OD1-CE2 3.29Å; D578-Y609 WeakPolarHBondContact OD1-CE2 3.31Å; D578-Y609 PolarHBondContact OD1-OH 3.12Å; D578-K613 IonicContact OD1-NZ 3.8Å; D578-K613 IonicContact OD2-NZ 3.21Å; D578-K613 PolarHBondContact OD2-NZ 3.31Å
579	Y	95.4	Very high	94.8	Very high	59 Å²	59	52.2 Å²	52.2	23%	0.231	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	-180	-173.9	-134.4	0	0	0	113.8	F581 D582 I583 H608 Y609	Y579-F581 PolarHBondContact O-N 3.35Å; Y579-D582 HydrophobicContact CD2-CB 3.76Å; Y579-D582 HydrophobicContact CE2-CB 3.84Å; Y579-D582 WeakPolarHBondContact O-CB 3.46Å; Y579-D582 PolarHBondContact O-N 2.82Å; Y579-I583 HydrophobicContact CD1-CD1 4.46Å; Y579-I583 HydrophobicContact CE1-CD1 3.84Å; Y579-I583 HydrophobicContact CE2-CD1 4.31Å; Y579-I583 PolarHBondContact O-N 3.36Å; Y579-I583 VanDerWaalsContact O-N 3.16Å; Y579-H608 AromaticContact CE1-CD2 3.81Å; Y579-H608 AromaticContact CE1-NE2 3.93Å; Y579-H608 AromaticContact CZ-CD2 3.95Å; Y579-H608 PolarHBondContact OH-CD2 2.65Å; Y579-H608 PolarHBondContact OH-NE2 3.04Å; Y579-Y609 AromaticContact CD1-CD2 3.66Å; Y579-Y609 HydrophobicContact CD1-CD2 3.66Å; Y579-Y609 HydrophobicContact CD1-CE2 4.48Å; Y579-Y609 HydrophobicContact CD1-CG 4.43Å; Y579-Y609 HydrophobicContact CE1-CD2 4.46Å; Y579-Y609 HydrophobicContact CG-CD2 4.22Å
580	Q	96.2	Very high	95.1	Very high	13 Å²	13	50.4 Å²	50.4	6%	0.061	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-31.4	173.7	71.3	-168.8	10.4	0	0	112.3	D578 I583 Y584 W606 Y609	D578-Q580 HydrophobicContact CB-CG 4.09Å; D578-Q580 PolarHBondContact O-N 2.93Å; D578-Q580 WeakPolarHBondContact OD1-CB 3.46Å; D578-Q580 WeakPolarHBondContact OD1-CG 3.45Å; D578-Q580 PolarHBondContact OD1-N 3.12Å; Q580-I583 WeakPolarHBondContact O-CB 3.27Å; Q580-I583 PolarHBondContact O-N 3.19Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.33Å; Q580-Y584 PolarHBondContact O-N 2.86Å; Q580-W606 HydrophobicContact CB-CH2 4.1Å; Q580-W606 HydrophobicContact CB-CZ3 4.01Å; Q580-Y609 HydrophobicContact CB-CD2 4.31Å; Q580-Y609 HydrophobicContact CB-CE2 3.67Å; Q580-Y609 VanDerWaalsContact N-CE2 3.32Å
581	F	97.3	Very high	95.4	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.057	25%	0.254	C	S	.	.	H	α-helix	trans	-73	-29	178.3	-56.6	-58.7	0	0	0	112.9	P120 S575 Q576 D578 Y579 Y584 R585	P120-F581 HydrophobicContact CG-CE1 4.26Å; P120-F581 HydrophobicContact CG-CZ 3.86Å; S575-F581 VanDerWaalsContact CB-CD1 3.44Å; S575-F581 WeakPolarHBondContact O-CB 3.39Å; Q576-F581 WeakPolarHBondContact O-CD2 3.39Å; Q576-F581 WeakPolarHBondContact O-CE2 3.38Å; D578-F581 HydrophobicContact CB-CD2 4.34Å; D578-F581 HydrophobicContact CB-CE2 4.26Å; D578-F581 VanDerWaalsContact O-CD2 3.27Å; D578-F581 WeakPolarHBondContact O-CD2 3.15Å; D578-F581 PolarHBondContact O-N 3.32Å; Y579-F581 PolarHBondContact O-N 3.35Å; F581-Y584 HydrophobicContact CD1-CD2 4.05Å; F581-Y584 HydrophobicContact CD1-CE2 4.01Å; F581-Y584 HydrophobicContact CE1-CE2 4.43Å; F581-R585 VanDerWaalsContact O-CZ 3.28Å; F581-R585 PolarHBondContact O-N 3.42Å; F581-R585 PolarHBondContact O-NH1 3.23Å
582	D	97.6	Very high	95.7	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-36.4	169	-65.5	-55.2	0	0	0	111.4	Y579 Y584 R585 H586	Y579-D582 HydrophobicContact CD2-CB 3.76Å; Y579-D582 HydrophobicContact CE2-CB 3.84Å; Y579-D582 WeakPolarHBondContact O-CB 3.46Å; Y579-D582 PolarHBondContact O-N 2.82Å; D582-Y584 VanDerWaalsContact C-N 3.33Å; D582-Y584 PolarHBondContact O-N 2.98Å; D582-R585 CarbonylContact O-C 3.51Å; D582-R585 WeakPolarHBondContact O-CB 3.29Å; D582-R585 PolarHBondContact O-N 3.4Å; D582-R585 VanDerWaalsContact O-N 3.09Å; D582-R585 IonicContact OD1-CZ 2.79Å; D582-R585 VanDerWaalsContact OD1-CZ 3.31Å; D582-R585 IonicContact OD1-NE 3.25Å; D582-R585 PolarHBondContact OD1-NE 3.38Å; D582-R585 VanDerWaalsContact OD1-NE 3.09Å; D582-R585 IonicContact OD1-NH2 2.7Å; D582-R585 PolarHBondContact OD1-NH2 3.46Å; D582-R585 IonicContact OD2-NH2 2.74Å; D582-H586 PolarHBondContact O-CD2 2.86Å; D582-H586 PolarHBondContact O-N 3.33Å
583	I	98.1	Very high	95.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-43.7	174.7	-56.4	-55.5	0	0	0	111.2	Y579 Q580 R585 H586 M587 M605 W606 Y609 F659	Y579-I583 HydrophobicContact CD1-CD1 4.46Å; Y579-I583 HydrophobicContact CE1-CD1 3.84Å; Y579-I583 HydrophobicContact CE2-CD1 4.31Å; Y579-I583 PolarHBondContact O-N 3.36Å; Y579-I583 VanDerWaalsContact O-N 3.16Å; Q580-I583 WeakPolarHBondContact O-CB 3.27Å; Q580-I583 PolarHBondContact O-N 3.19Å; I583-R585 VanDerWaalsContact C-N 3.33Å; I583-R585 PolarHBondContact O-N 3.03Å; I583-H586 PolarHBondContact O-N 3.3Å; I583-M587 HydrophobicContact CG2-CE 4.2Å; I583-M587 HydrophobicContact CG2-CG 4.25Å; I583-M587 HydrophobicContact CG2-SD 4.4Å; I583-M587 VanDerWaalsContact O-CG 3.31Å; I583-M587 WeakPolarHBondContact O-CG 3.08Å; I583-M587 PolarHBondContact O-N 3.09Å; I583-M605 HydrophobicContact CD1-CB 4.27Å; I583-M605 WeakPolarHBondContact CD1-O 3.49Å; I583-M605 HydrophobicContact CG2-CB 3.91Å; I583-W606 HydrophobicContact CB-CE3 4.45Å; I583-W606 HydrophobicContact CB-CH2 4.27Å; I583-W606 HydrophobicContact CB-CZ2 4.31Å; I583-W606 HydrophobicContact CB-CZ3 4.32Å; I583-W606 HydrophobicContact CG1-CE3 4.47Å; I583-W606 HydrophobicContact CG1-CZ3 4.48Å; I583-W606 HydrophobicContact CG2-CD2 3.64Å; I583-W606 HydrophobicContact CG2-CE3 4.01Å; I583-W606 HydrophobicContact CG2-CG 4.09Å; I583-W606 HydrophobicContact CG2-CH2 4.2Å; I583-W606 HydrophobicContact CG2-CZ2 3.82Å; I583-W606 HydrophobicContact CG2-CZ3 4.27Å; I583-Y609 HydrophobicContact CG1-CD2 4.18Å; I583-Y609 HydrophobicContact CG1-CG 4.43Å; I583-F659 HydrophobicContact CD1-CZ 4.25Å
584	Y	98.2	Very high	96	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-58.8	-41.6	173.5	-61	-57.3	0	0	0	112.8	T119 D475 M552 L572 Q580 F581 D582 M587 K588 W606	T119-Y584 HydrophobicContact CG2-CE2 4.16Å; T119-Y584 WeakPolarHBondContact CG2-OH 3.35Å; D475-Y584 PolarHBondContact OD1-OH 2.85Å; M552-Y584 HydrophobicContact SD-CE1 4.13Å; L572-Y584 HydrophobicContact CD1-CD1 4.04Å; L572-Y584 HydrophobicContact CD1-CD2 3.67Å; L572-Y584 HydrophobicContact CD1-CE1 3.89Å; L572-Y584 HydrophobicContact CD1-CE2 3.54Å; L572-Y584 HydrophobicContact CD1-CG 3.97Å; L572-Y584 HydrophobicContact CD2-CD1 3.96Å; L572-Y584 HydrophobicContact CD2-CE1 4.26Å; L572-Y584 HydrophobicContact CD2-CG 4.27Å; L572-Y584 HydrophobicContact CG-CD1 4Å; L572-Y584 HydrophobicContact CG-CD2 3.96Å; L572-Y584 HydrophobicContact CG-CE1 4.32Å; L572-Y584 HydrophobicContact CG-CE2 4.33Å; L572-Y584 HydrophobicContact CG-CG 3.84Å; Q580-Y584 WeakPolarHBondContact O-CD2 3.33Å; Q580-Y584 PolarHBondContact O-N 2.86Å; F581-Y584 HydrophobicContact CD1-CD2 4.05Å; F581-Y584 HydrophobicContact CD1-CE2 4.01Å; F581-Y584 HydrophobicContact CE1-CE2 4.43Å; D582-Y584 VanDerWaalsContact C-N 3.33Å; D582-Y584 PolarHBondContact O-N 2.98Å; Y584-M587 HydrophobicContact CD1-CE 3.47Å; Y584-M587 VanDerWaalsContact CD1-CE 3.47Å; Y584-M587 HydrophobicContact CE1-CE 4.13Å; Y584-M587 HydrophobicContact CG-CE 4.36Å; Y584-K588 WeakPolarHBondContact O-CB 3.34Å; Y584-K588 PolarHBondContact O-N 2.88Å; Y584-W606 HydrophobicContact CD1-CZ2 4.15Å; Y584-W606 HydrophobicContact CE1-CH2 4.1Å; Y584-W606 AromaticContact CE1-CZ2 3.68Å; Y584-W606 HydrophobicContact CE1-CZ2 3.68Å
585	R	97.9	Very high	96.2	Very high	78 Å²	78	50.1 Å²	50.1	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-42.8	175.6	-71.9	-178	-82.8	-83	5.7	112.1	F573 S575 F581 D582 I583 K588 S589	F573-R585 PolarHBondContact O-NH1 2.75Å; S575-R585 PolarHBondContact O-NH1 3.17Å; F581-R585 VanDerWaalsContact O-CZ 3.28Å; F581-R585 PolarHBondContact O-N 3.42Å; F581-R585 PolarHBondContact O-NH1 3.23Å; D582-R585 CarbonylContact O-C 3.51Å; D582-R585 WeakPolarHBondContact O-CB 3.29Å; D582-R585 PolarHBondContact O-N 3.4Å; D582-R585 VanDerWaalsContact O-N 3.09Å; D582-R585 IonicContact OD1-CZ 2.79Å; D582-R585 VanDerWaalsContact OD1-CZ 3.31Å; D582-R585 IonicContact OD1-NE 3.25Å; D582-R585 PolarHBondContact OD1-NE 3.38Å; D582-R585 VanDerWaalsContact OD1-NE 3.09Å; D582-R585 IonicContact OD1-NH2 2.7Å; D582-R585 PolarHBondContact OD1-NH2 3.46Å; D582-R585 IonicContact OD2-NH2 2.74Å; I583-R585 VanDerWaalsContact C-N 3.33Å; I583-R585 PolarHBondContact O-N 3.03Å; R585-K588 PolarHBondContact O-N 3.31Å; R585-S589 PolarHBondContact O-N 3.01Å
586	H	97.8	Very high	96.5	Very high	73 Å²	73	51.7 Å²	51.7	34%	0.338	27%	0.273	S	S	.	.	H	α-helix	trans	-64.9	-44.3	177.1	-69	-55.4	0	0	0	112	D582 I583 S589 A590 M605 F659	D582-H586 PolarHBondContact O-CD2 2.86Å; D582-H586 PolarHBondContact O-N 3.33Å; I583-H586 PolarHBondContact O-N 3.3Å; H586-S589 WeakPolarHBondContact O-CB 3.27Å; H586-S589 PolarHBondContact O-N 3.16Å; H586-A590 PolarHBondContact O-N 3.4Å; H586-M605 HydrophobicContact CB-CE 4.18Å; H586-M605 HydrophobicContact CB-SD 3.72Å; H586-F659 HydrophobicContact CB-CE2 3.93Å; H586-F659 AromaticContact CD2-CE2 3.7Å; H586-F659 AromaticContact CG-CE2 3.66Å
587	M	98.1	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-46.2	174.7	-69.2	-169.1	-65.7	0	0	111.4	R474 I583 Y584 S589 A590 N591 W595 T602 M605 W606	R474-M587 HydrophobicContact CB-SD 4.46Å; R474-M587 WeakPolarHBondContact O-CE 3.28Å; I583-M587 HydrophobicContact CG2-CE 4.2Å; I583-M587 HydrophobicContact CG2-CG 4.25Å; I583-M587 HydrophobicContact CG2-SD 4.4Å; I583-M587 VanDerWaalsContact O-CG 3.31Å; I583-M587 WeakPolarHBondContact O-CG 3.08Å; I583-M587 PolarHBondContact O-N 3.09Å; Y584-M587 HydrophobicContact CD1-CE 3.47Å; Y584-M587 VanDerWaalsContact CD1-CE 3.47Å; Y584-M587 HydrophobicContact CE1-CE 4.13Å; Y584-M587 HydrophobicContact CG-CE 4.36Å; M587-S589 VanDerWaalsContact C-N 3.28Å; M587-S589 PolarHBondContact O-N 3.19Å; M587-A590 PolarHBondContact O-N 3.48Å; M587-N591 VanDerWaalsContact O-CB 3.28Å; M587-N591 WeakPolarHBondContact O-CB 3.2Å; M587-N591 PolarHBondContact O-N 2.84Å; M587-W595 HydrophobicContact CB-CH2 3.82Å; M587-W595 HydrophobicContact CB-CZ3 4.14Å; M587-T602 HydrophobicContact CB-CG2 4Å; M587-T602 HydrophobicContact CG-CG2 3.65Å; M587-T602 HydrophobicContact SD-CG2 3.96Å; M587-M605 HydrophobicContact CB-SD 4.32Å; M587-M605 HydrophobicContact CG-SD 3.65Å; M587-M605 PolarHBondContact N-SD 2.9Å; M587-W606 HydrophobicContact CE-CZ2 3.89Å; M587-W606 PolarHBondContact SD-NE1 3.01Å
588	K	97.8	Very high	96.9	Very high	68 Å²	68	47.4 Å²	47.4	30%	0.296	23%	0.231	S	C	.	.	H	α-helix	trans	-57.2	-41.7	176	-178.6	168.7	-177.2	161.3	0	112.3	F573 Y584 R585 H592 N593 W595	F573-K588 HydrophobicContact CB-CD 4.36Å; F573-K588 HydrophobicContact CD1-CB 3.93Å; F573-K588 HydrophobicContact CD1-CD 3.57Å; F573-K588 HydrophobicContact CD1-CG 4.37Å; F573-K588 HydrophobicContact CD2-CD 3.81Å; F573-K588 HydrophobicContact CE1-CB 3.72Å; F573-K588 HydrophobicContact CE1-CD 3.74Å; F573-K588 HydrophobicContact CE1-CG 4.23Å; F573-K588 HydrophobicContact CE2-CD 3.94Å; F573-K588 HydrophobicContact CG-CD 3.61Å; F573-K588 HydrophobicContact CZ-CB 4.4Å; F573-K588 HydrophobicContact CZ-CD 3.91Å; Y584-K588 WeakPolarHBondContact O-CB 3.34Å; Y584-K588 PolarHBondContact O-N 2.88Å; R585-K588 PolarHBondContact O-N 3.31Å; K588-H592 PolarHBondContact O-N 3.34Å; K588-H592 VanDerWaalsContact O-N 3.11Å; K588-N593 VanDerWaalsContact CE-OD1 3.26Å; K588-N593 WeakPolarHBondContact CE-OD1 3.45Å; K588-N593 HydrophobicContact CG-CB 4.17Å; K588-N593 PolarHBondContact O-N 3.5Å; K588-W595 HydrophobicContact CB-CH2 4.48Å; K588-W595 HydrophobicContact CB-CZ2 3.99Å; K588-W595 HydrophobicContact CG-CZ2 4.46Å
589	S	97.3	Very high	97.2	Very high	85 Å²	85	45.6 Å²	45.6	59%	0.594	22%	0.222	S	C	*	.	H	α-helix	trans	-64.5	-49.8	177.5	-170.7	0	0	0	0	112.1	R585 H586 M587 N591 H592	R585-S589 PolarHBondContact O-N 3.01Å; H586-S589 WeakPolarHBondContact O-CB 3.27Å; H586-S589 PolarHBondContact O-N 3.16Å; M587-S589 VanDerWaalsContact C-N 3.28Å; M587-S589 PolarHBondContact O-N 3.19Å; S589-N591 PolarHBondContact O-N 3.25Å; S589-H592 PolarHBondContact O-N 3.02Å; S589-H592 PolarHBondContact O-ND1 2.78Å
590	A	96.6	Very high	97.3	Very high	22 Å²	22	44 Å²	44	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-69	-30	-179.7	0	0	0	0	0	114	H586 M587 H592 K597 T599 M605	H586-A590 PolarHBondContact O-N 3.4Å; M587-A590 PolarHBondContact O-N 3.48Å; A590-H592 VanDerWaalsContact C-N 3.28Å; A590-K597 PolarHBondContact O-NZ 2.99Å; A590-T599 HydrophobicContact CB-CG2 4.24Å; A590-M605 HydrophobicContact CB-CE 3.65Å
591	N	96.5	Very high	97.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-13.3	170.8	-77.9	-14.9	0	0	0	113.1	M587 S589 N593 D594 W595 T599	M587-N591 VanDerWaalsContact O-CB 3.28Å; M587-N591 WeakPolarHBondContact O-CB 3.2Å; M587-N591 PolarHBondContact O-N 2.84Å; S589-N591 PolarHBondContact O-N 3.25Å; N591-N593 PolarHBondContact O-N 2.9Å; N591-D594 WeakPolarHBondContact CB-O 3.43Å; N591-D594 WeakPolarHBondContact O-CB 3.38Å; N591-D594 PolarHBondContact O-N 3.46Å; N591-W595 WeakPolarHBondContact ND2-CZ3 3.36Å; N591-T599 WeakPolarHBondContact OD1-CB 3.49Å; N591-T599 WeakPolarHBondContact OD1-CG2 3.46Å; N591-T599 PolarHBondContact OD1-OG1 2.88Å
592	H	96.8	Very high	97.4	Very high	156 Å²	156	44.6 Å²	44.6	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	33.4	-164.1	-48.6	-57.6	0	0	0	112.2	K588 S589 A590 D594	K588-H592 PolarHBondContact O-N 3.34Å; K588-H592 VanDerWaalsContact O-N 3.11Å; S589-H592 PolarHBondContact O-N 3.02Å; S589-H592 PolarHBondContact O-ND1 2.78Å; A590-H592 VanDerWaalsContact C-N 3.28Å; H592-D594 PolarHBondContact O-N 3.15Å
593	N	95.9	Very high	97.5	Very high	55 Å²	55	42.7 Å²	42.7	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	12	-171.6	-159.1	60.5	0	0	0	115.9	S567 K588 N591 W595	S567-N593 VanDerWaalsContact CB-ND2 3.26Å; S567-N593 WeakPolarHBondContact CB-ND2 3.4Å; K588-N593 VanDerWaalsContact CE-OD1 3.26Å; K588-N593 WeakPolarHBondContact CE-OD1 3.45Å; K588-N593 HydrophobicContact CG-CB 4.17Å; K588-N593 PolarHBondContact O-N 3.5Å; N591-N593 PolarHBondContact O-N 2.9Å; N593-W595 VanDerWaalsContact O-CD1 3.25Å; N593-W595 PolarHBondContact OD1-NE1 3.2Å
594	D	97.6	Very high	97.5	Very high	76 Å²	76	42.7 Å²	42.7	41%	0.406	21%	0.212	S	C	.	.			trans	-88.2	104.5	166.9	175	7.7	0	0	0	110.3	N591 H592 K596 K597	N591-D594 WeakPolarHBondContact CB-O 3.43Å; N591-D594 WeakPolarHBondContact O-CB 3.38Å; N591-D594 PolarHBondContact O-N 3.46Å; H592-D594 PolarHBondContact O-N 3.15Å; D594-K596 WeakPolarHBondContact OD1-CB 3.48Å; D594-K596 PolarHBondContact OD1-N 3.26Å; D594-K597 HydrophobicContact CB-CB 4.46Å; D594-K597 PolarHBondContact OD1-N 3.04Å
595	W	97.3	Very high	97.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	21%	0.213	C	C	.	.	S	Bend	trans	-88.1	-6	-178.1	-61.5	96.3	0	0	0	114	R474 Y563 L566 F573 M587 K588 N591 N593	R474-W595 PolarHBondContact NH1-O 2.83Å; R474-W595 PolarHBondContact NH2-O 3.04Å; Y563-W595 HydrophobicContact CD2-CB 4.26Å; Y563-W595 VanDerWaalsContact CD2-O 3.32Å; Y563-W595 WeakPolarHBondContact CD2-O 3.06Å; Y563-W595 HydrophobicContact CE2-CB 4.46Å; L566-W595 HydrophobicContact CB-CD2 3.9Å; L566-W595 HydrophobicContact CB-CE3 4.25Å; L566-W595 HydrophobicContact CB-CG 4.4Å; L566-W595 HydrophobicContact CB-CH2 4.31Å; L566-W595 HydrophobicContact CB-CZ2 3.97Å; L566-W595 HydrophobicContact CB-CZ3 4.44Å; L566-W595 HydrophobicContact CD1-CD2 4.47Å; L566-W595 HydrophobicContact CD1-CE3 3.97Å; L566-W595 HydrophobicContact CD1-CH2 3.92Å; L566-W595 HydrophobicContact CD1-CZ2 4.42Å; L566-W595 HydrophobicContact CD1-CZ3 3.67Å; L566-W595 HydrophobicContact CG-CD2 4.15Å; L566-W595 HydrophobicContact CG-CE3 4.04Å; L566-W595 HydrophobicContact CG-CZ3 4.23Å; F573-W595 HydrophobicContact CE1-CH2 4.28Å; F573-W595 AromaticContact CE1-CZ2 3.82Å; F573-W595 HydrophobicContact CE1-CZ2 3.82Å; F573-W595 HydrophobicContact CZ-CH2 4.44Å; F573-W595 AromaticContact CZ-CZ2 3.65Å; F573-W595 HydrophobicContact CZ-CZ2 3.65Å; M587-W595 HydrophobicContact CB-CH2 3.82Å; M587-W595 HydrophobicContact CB-CZ3 4.14Å; K588-W595 HydrophobicContact CB-CH2 4.48Å; K588-W595 HydrophobicContact CB-CZ2 3.99Å; K588-W595 HydrophobicContact CG-CZ2 4.46Å; N591-W595 WeakPolarHBondContact ND2-CZ3 3.36Å; N593-W595 VanDerWaalsContact O-CD1 3.25Å; N593-W595 PolarHBondContact OD1-NE1 3.2Å
596	K	96	Very high	97.6	Very high	59 Å²	59	39.1 Å²	39.1	26%	0.257	20%	0.199	S	C	.	.	S	Bend	trans	-74.6	-41.4	171.8	-68.2	177	-178.6	-177.3	0	111	Q154 R554 L561 Y563 D594	Q154-K596 VanDerWaalsContact OE1-NZ 3.08Å; R554-K596 PolarHBondContact NE-O 2.98Å; R554-K596 PolarHBondContact NH2-O 3.18Å; L561-K596 HydrophobicContact CD2-CB 4.44Å; Y563-K596 HydrophobicContact CD1-CG 4.48Å; Y563-K596 HydrophobicContact CD2-CG 4.38Å; Y563-K596 HydrophobicContact CE1-CG 3.78Å; Y563-K596 HydrophobicContact CE2-CG 3.65Å; Y563-K596 WeakPolarHBondContact OH-CE 3.38Å; Y563-K596 WeakPolarHBondContact OH-CG 3.42Å; D594-K596 WeakPolarHBondContact OD1-CB 3.48Å; D594-K596 PolarHBondContact OD1-N 3.26Å
597	K	96.4	Very high	97.6	Very high	84 Å²	84	35.7 Å²	35.7	37%	0.365	18%	0.182	S	C	.	.	S	Bend	trans	-48.7	141.8	177	-177.8	-176	170.8	-165.1	0	111.5	R474 R554 A590 D594	R474-K597 PolarHBondContact NH2-O 3.25Å; R554-K597 PolarHBondContact NE-O 3.1Å; A590-K597 PolarHBondContact O-NZ 2.99Å; D594-K597 HydrophobicContact CB-CB 4.46Å; D594-K597 PolarHBondContact OD1-N 3.04Å
598	F	97.6	Very high	97.6	Very high	64 Å²	64	35.9 Å²	35.9	28%	0.281	18%	0.183	S	C	.	.			trans	-83.8	116.7	167.1	-178.5	-138.6	0	0	0	109.7	K470 E472 P600	K470-F598 HydrophobicContact CB-CD1 4Å; K470-F598 HydrophobicContact CB-CD2 3.99Å; K470-F598 HydrophobicContact CB-CE1 3.92Å; K470-F598 HydrophobicContact CB-CE2 3.93Å; K470-F598 HydrophobicContact CB-CG 4.04Å; K470-F598 HydrophobicContact CB-CZ 3.88Å; K470-F598 HydrophobicContact CD-CD1 4.35Å; K470-F598 HydrophobicContact CG-CD1 4.18Å; K470-F598 HydrophobicContact CG-CE1 4.08Å; K470-F598 HydrophobicContact CG-CZ 4.45Å; K470-F598 VanDerWaalsContact O-CD2 3.23Å; K470-F598 WeakPolarHBondContact O-CD2 3.49Å; K470-F598 WeakPolarHBondContact O-CE2 3.37Å; E472-F598 HydrophobicContact CG-CD2 4.06Å; E472-F598 HydrophobicContact CG-CE2 4.08Å; F598-P600 HydrophobicContact CD1-CG 4.39Å; F598-P600 HydrophobicContact CE1-CB 4.22Å; F598-P600 HydrophobicContact CE1-CG 3.83Å; F598-P600 HydrophobicContact CE2-CB 3.75Å; F598-P600 HydrophobicContact CE2-CG 4.11Å; F598-P600 HydrophobicContact CZ-CB 3.54Å; F598-P600 HydrophobicContact CZ-CG 3.68Å
599	T	98.1	Very high	97.6	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	17%	0.169	C	C	.	.			trans	-130.2	80.7	176.9	-56.2	0	0	0	0	108.5	E472 A590 N591 Q601 T602	E472-T599 PolarHBondContact OE1-N 3.21Å; A590-T599 HydrophobicContact CB-CG2 4.24Å; N591-T599 WeakPolarHBondContact OD1-CB 3.49Å; N591-T599 WeakPolarHBondContact OD1-CG2 3.46Å; N591-T599 PolarHBondContact OD1-OG1 2.88Å; T599-Q601 HydrophobicContact CG2-CB 4.13Å; T599-Q601 PolarHBondContact O-N 2.82Å; T599-T602 HydrophobicContact CG2-CG2 4.29Å; T599-T602 WeakPolarHBondContact O-CG2 3.21Å; T599-T602 PolarHBondContact O-N 3.2Å; T599-T602 PolarHBondContact O-OG1 3.31Å
600	P	98.2	Very high	97.7	Very high	25 Å²	25	28.6 Å²	28.6	16%	0.162	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.8	-176.7	23.9	-33	0	0	0	114.3	E466 F598 T602 N603	E466-P600 HydrophobicContact CG-CB 4.37Å; F598-P600 HydrophobicContact CD1-CG 4.39Å; F598-P600 HydrophobicContact CE1-CB 4.22Å; F598-P600 HydrophobicContact CE1-CG 3.83Å; F598-P600 HydrophobicContact CE2-CB 3.75Å; F598-P600 HydrophobicContact CE2-CG 4.11Å; F598-P600 HydrophobicContact CZ-CB 3.54Å; F598-P600 HydrophobicContact CZ-CG 3.68Å; P600-T602 PolarHBondContact O-N 3.32Å; P600-N603 WeakPolarHBondContact O-CB 3.35Å; P600-N603 PolarHBondContact O-N 3.33Å; P600-N603 VanDerWaalsContact O-N 3.09Å
601	Q	98.2	Very high	97.7	Very high	38 Å²	38	27.6 Å²	27.6	18%	0.178	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-25.5	169.4	-163.2	179	35.8	0	0	112.4	T599 N603 I604 M605 F659 N660 K663	T599-Q601 HydrophobicContact CG2-CB 4.13Å; T599-Q601 PolarHBondContact O-N 2.82Å; Q601-N603 VanDerWaalsContact C-N 3.28Å; Q601-N603 PolarHBondContact O-N 3.18Å; Q601-I604 WeakPolarHBondContact O-CA 3.49Å; Q601-I604 WeakPolarHBondContact O-CB 3.44Å; Q601-I604 PolarHBondContact O-N 2.93Å; Q601-M605 HydrophobicContact CG-CE 4.17Å; Q601-M605 WeakPolarHBondContact O-CG 3.48Å; Q601-M605 PolarHBondContact O-N 3.41Å; Q601-F659 HydrophobicContact CG-CB 4.21Å; Q601-F659 VanDerWaalsContact NE2-C 3.27Å; Q601-F659 PolarHBondContact NE2-O 2.66Å; Q601-N660 PolarHBondContact NE2-OD1 3.42Å; Q601-K663 PolarHBondContact N-O 3.37Å
602	T	98.5	Very high	97.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-35.5	174.3	60.6	0	0	0	0	112.3	E472 M587 T599 P600 I604 M605 W606	E472-T602 VanDerWaalsContact CD-OG1 3.29Å; E472-T602 VanDerWaalsContact CG-OG1 3.32Å; E472-T602 WeakPolarHBondContact CG-OG1 3.33Å; E472-T602 WeakPolarHBondContact OE2-CG2 3.34Å; E472-T602 PolarHBondContact OE2-OG1 3.34Å; M587-T602 HydrophobicContact CB-CG2 4Å; M587-T602 HydrophobicContact CG-CG2 3.65Å; M587-T602 HydrophobicContact SD-CG2 3.96Å; T599-T602 HydrophobicContact CG2-CG2 4.29Å; T599-T602 WeakPolarHBondContact O-CG2 3.21Å; T599-T602 PolarHBondContact O-N 3.2Å; T599-T602 PolarHBondContact O-OG1 3.31Å; P600-T602 PolarHBondContact O-N 3.32Å; T602-I604 VanDerWaalsContact C-N 3.33Å; T602-I604 PolarHBondContact O-N 3.41Å; T602-M605 PolarHBondContact O-N 2.75Å; T602-W606 VanDerWaalsContact O-CD1 3.29Å; T602-W606 PolarHBondContact O-N 3.15Å; T602-W606 VanDerWaalsContact O-N 3.16Å
603	N	98.8	Very high	97.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.7	-35	172.3	-66.4	-31.7	0	0	0	112	L462 E466 F471 E472 H473 P600 Q601 F607 A665	L462-N603 HydrophobicContact CD1-CB 4.39Å; E466-N603 WeakPolarHBondContact CG-ND2 3.38Å; E466-N603 PolarHBondContact OE1-ND2 3.26Å; F471-N603 PolarHBondContact O-ND2 2.74Å; E472-N603 WeakPolarHBondContact CA-OD1 3.47Å; H473-N603 PolarHBondContact N-OD1 2.72Å; P600-N603 WeakPolarHBondContact O-CB 3.35Å; P600-N603 PolarHBondContact O-N 3.33Å; P600-N603 VanDerWaalsContact O-N 3.09Å; Q601-N603 VanDerWaalsContact C-N 3.28Å; Q601-N603 PolarHBondContact O-N 3.18Å; N603-F607 VanDerWaalsContact O-CB 3.24Å; N603-F607 WeakPolarHBondContact O-CB 3.42Å; N603-F607 PolarHBondContact O-N 3.43Å; N603-A665 HydrophobicContact CB-CB 4.47Å
604	I	98.6	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-69	-35.6	175.3	-66.7	-59.5	0	0	0	111.5	Q601 T602 F607 H608 S664 L668	Q601-I604 WeakPolarHBondContact O-CA 3.49Å; Q601-I604 WeakPolarHBondContact O-CB 3.44Å; Q601-I604 PolarHBondContact O-N 2.93Å; T602-I604 VanDerWaalsContact C-N 3.33Å; T602-I604 PolarHBondContact O-N 3.41Å; I604-F607 PolarHBondContact O-N 3.39Å; I604-H608 WeakPolarHBondContact O-CB 3.39Å; I604-H608 PolarHBondContact O-N 2.95Å; I604-S664 WeakPolarHBondContact CD1-O 3.07Å; I604-L668 HydrophobicContact CD1-CB 3.86Å; I604-L668 HydrophobicContact CD1-CD2 3.92Å; I604-L668 HydrophobicContact CD1-CG 4.5Å
605	M	98.6	Very high	97.3	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.02	9%	0.087	C	C	.	.	H	α-helix	trans	-62.7	-47.5	174.5	-61.6	172.2	-177.2	0	0	111.5	I583 H586 M587 A590 Q601 T602 H608 Y609 F659	I583-M605 HydrophobicContact CD1-CB 4.27Å; I583-M605 WeakPolarHBondContact CD1-O 3.49Å; I583-M605 HydrophobicContact CG2-CB 3.91Å; H586-M605 HydrophobicContact CB-CE 4.18Å; H586-M605 HydrophobicContact CB-SD 3.72Å; M587-M605 HydrophobicContact CB-SD 4.32Å; M587-M605 HydrophobicContact CG-SD 3.65Å; M587-M605 PolarHBondContact N-SD 2.9Å; A590-M605 HydrophobicContact CB-CE 3.65Å; Q601-M605 HydrophobicContact CG-CE 4.17Å; Q601-M605 WeakPolarHBondContact O-CG 3.48Å; Q601-M605 PolarHBondContact O-N 3.41Å; T602-M605 PolarHBondContact O-N 2.75Å; M605-H608 WeakPolarHBondContact O-CB 3.42Å; M605-H608 PolarHBondContact O-N 3.45Å; M605-Y609 PolarHBondContact O-N 3.2Å; M605-F659 HydrophobicContact CB-CD1 4.37Å; M605-F659 HydrophobicContact CB-CE1 4.1Å; M605-F659 HydrophobicContact CB-CZ 4.19Å; M605-F659 HydrophobicContact CE-CD2 4.03Å; M605-F659 HydrophobicContact CE-CG 4.46Å; M605-F659 HydrophobicContact CG-CB 4.46Å; M605-F659 HydrophobicContact CG-CD1 3.87Å; M605-F659 HydrophobicContact CG-CD2 3.78Å; M605-F659 HydrophobicContact CG-CE1 3.98Å; M605-F659 HydrophobicContact CG-CE2 3.89Å; M605-F659 HydrophobicContact CG-CG 3.77Å; M605-F659 HydrophobicContact CG-CZ 3.98Å; M605-F659 HydrophobicContact SD-CD2 4.48Å
606	W	98.7	Very high	96.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.5	-37.6	174.7	-75.4	113	0	0	0	113.5	R474 L476 H477 Q580 I583 Y584 M587 T602 H608 Y609 L610	R474-W606 WeakPolarHBondContact O-CZ2 3.48Å; R474-W606 PolarHBondContact O-NE1 3.28Å; L476-W606 HydrophobicContact CB-CB 3.78Å; L476-W606 HydrophobicContact CB-CD2 4.18Å; L476-W606 HydrophobicContact CB-CG 3.85Å; L476-W606 HydrophobicContact CD2-CB 4.42Å; L476-W606 HydrophobicContact CG-CB 4.35Å; H477-W606 HydrophobicContact CB-CH2 4.39Å; H477-W606 HydrophobicContact CB-CZ3 3.79Å; Q580-W606 HydrophobicContact CB-CH2 4.1Å; Q580-W606 HydrophobicContact CB-CZ3 4.01Å; I583-W606 HydrophobicContact CB-CE3 4.45Å; I583-W606 HydrophobicContact CB-CH2 4.27Å; I583-W606 HydrophobicContact CB-CZ2 4.31Å; I583-W606 HydrophobicContact CB-CZ3 4.32Å; I583-W606 HydrophobicContact CG1-CE3 4.47Å; I583-W606 HydrophobicContact CG1-CZ3 4.48Å; I583-W606 HydrophobicContact CG2-CD2 3.64Å; I583-W606 HydrophobicContact CG2-CE3 4.01Å; I583-W606 HydrophobicContact CG2-CG 4.09Å; I583-W606 HydrophobicContact CG2-CH2 4.2Å; I583-W606 HydrophobicContact CG2-CZ2 3.82Å; I583-W606 HydrophobicContact CG2-CZ3 4.27Å; Y584-W606 HydrophobicContact CD1-CZ2 4.15Å; Y584-W606 HydrophobicContact CE1-CH2 4.1Å; Y584-W606 AromaticContact CE1-CZ2 3.68Å; Y584-W606 HydrophobicContact CE1-CZ2 3.68Å; M587-W606 HydrophobicContact CE-CZ2 3.89Å; M587-W606 PolarHBondContact SD-NE1 3.01Å; T602-W606 VanDerWaalsContact O-CD1 3.29Å; T602-W606 PolarHBondContact O-N 3.15Å; T602-W606 VanDerWaalsContact O-N 3.16Å; W606-H608 VanDerWaalsContact C-N 3.3Å; W606-H608 PolarHBondContact O-N 3.37Å; W606-Y609 HydrophobicContact CE3-CD1 4.24Å; W606-Y609 HydrophobicContact CE3-CG 4.23Å; W606-Y609 HydrophobicContact CZ3-CD1 4.41Å; W606-Y609 HydrophobicContact CZ3-CG 4.38Å; W606-Y609 WeakPolarHBondContact O-CB 3.41Å; W606-Y609 PolarHBondContact O-N 3.43Å; W606-L610 WeakPolarHBondContact O-CG 3.48Å; W606-L610 PolarHBondContact O-N 3.28Å
607	F	98.6	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-42.6	174	-169.6	-87.1	0	0	0	111.1	L455 I458 L462 N603 I604 L610 T611 L652 T656 L668 F675	L455-F607 HydrophobicContact CB-CZ 4.14Å; L455-F607 HydrophobicContact CD2-CE2 4.36Å; L455-F607 HydrophobicContact CD2-CZ 4.15Å; L455-F607 VanDerWaalsContact O-CE2 3.24Å; L455-F607 WeakPolarHBondContact O-CE2 3.46Å; I458-F607 HydrophobicContact CG2-CD2 4.22Å; I458-F607 HydrophobicContact CG2-CE2 4.43Å; L462-F607 HydrophobicContact CD1-CD2 4.43Å; N603-F607 VanDerWaalsContact O-CB 3.24Å; N603-F607 WeakPolarHBondContact O-CB 3.42Å; N603-F607 PolarHBondContact O-N 3.43Å; I604-F607 PolarHBondContact O-N 3.39Å; F607-L610 PolarHBondContact O-N 2.9Å; F607-T611 HydrophobicContact CD1-CG2 3.82Å; F607-T611 HydrophobicContact CE1-CG2 3.49Å; F607-T611 VanDerWaalsContact CE1-CG2 3.49Å; F607-T611 HydrophobicContact CZ-CG2 4.28Å; F607-T611 WeakPolarHBondContact O-CG2 2.85Å; F607-T611 PolarHBondContact O-N 3.02Å; F607-L652 HydrophobicContact CE1-CD2 4.34Å; F607-T656 HydrophobicContact CD1-CG2 3.96Å; F607-T656 HydrophobicContact CE1-CG2 4.26Å; F607-L668 HydrophobicContact CD1-CD2 3.66Å; F607-L668 HydrophobicContact CE1-CD2 3.65Å; F607-L668 HydrophobicContact CG-CD2 4.12Å; F607-L668 HydrophobicContact CZ-CD2 4.1Å; F607-F675 HydrophobicContact CE2-CZ 4.33Å; F607-F675 HydrophobicContact CZ-CE2 4.46Å; F607-F675 AromaticContact CZ-CZ 3.88Å; F607-F675 HydrophobicContact CZ-CZ 3.88Å
608	H	98.2	Very high	92.7	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-60.2	-48.1	173.9	176.4	50.9	0	0	0	111.7	Y579 I604 M605 W606 L610 T611 T612 E653 T656 R657 F659	Y579-H608 AromaticContact CE1-CD2 3.81Å; Y579-H608 AromaticContact CE1-NE2 3.93Å; Y579-H608 AromaticContact CZ-CD2 3.95Å; Y579-H608 PolarHBondContact OH-CD2 2.65Å; Y579-H608 PolarHBondContact OH-NE2 3.04Å; I604-H608 WeakPolarHBondContact O-CB 3.39Å; I604-H608 PolarHBondContact O-N 2.95Å; M605-H608 WeakPolarHBondContact O-CB 3.42Å; M605-H608 PolarHBondContact O-N 3.45Å; W606-H608 VanDerWaalsContact C-N 3.3Å; W606-H608 PolarHBondContact O-N 3.37Å; H608-L610 VanDerWaalsContact C-N 3.28Å; H608-L610 PolarHBondContact O-N 3.48Å; H608-T611 WeakPolarHBondContact CA-OG1 3.47Å; H608-T611 PolarHBondContact O-N 2.92Å; H608-T611 PolarHBondContact O-OG1 3.44Å; H608-T612 PolarHBondContact CE1-OG1 2.85Å; H608-T612 PolarHBondContact NE2-OG1 3.21Å; H608-T612 PolarHBondContact O-N 3.04Å; H608-T612 PolarHBondContact O-OG1 3.09Å; H608-E653 IonicContact CE1-OE1 3.93Å; H608-E653 PolarHBondContact CE1-OE1 2.98Å; H608-T656 PolarHBondContact ND1-OG1 3.24Å; H608-T656 VanDerWaalsContact ND1-OG1 3.13Å; H608-R657 VanDerWaalsContact CE1-CA 3.43Å; H608-R657 WeakPolarHBondContact CE1-CA 3.29Å; H608-R657 PolarHBondContact ND1-N 3.16Å; H608-F659 HydrophobicContact CB-CD1 4.42Å; H608-F659 HydrophobicContact CB-CE1 3.83Å; H608-F659 AromaticContact CD2-CE1 3.66Å; H608-F659 AromaticContact CG-CE1 3.96Å
609	Y	98.1	Very high	90.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-49.3	-49.2	173.1	170.4	-84.5	0	0	0	111.9	H477 W478 D578 Y579 Q580 I583 M605 W606 T611 T612 K613	H477-Y609 HydrophobicContact CB-CE1 3.96Å; W478-Y609 HydrophobicContact CB-CE1 4.42Å; W478-Y609 HydrophobicContact CG-CE1 4.32Å; D578-Y609 VanDerWaalsContact OD1-CE2 3.29Å; D578-Y609 WeakPolarHBondContact OD1-CE2 3.31Å; D578-Y609 PolarHBondContact OD1-OH 3.12Å; Y579-Y609 AromaticContact CD1-CD2 3.66Å; Y579-Y609 HydrophobicContact CD1-CD2 3.66Å; Y579-Y609 HydrophobicContact CD1-CE2 4.48Å; Y579-Y609 HydrophobicContact CD1-CG 4.43Å; Y579-Y609 HydrophobicContact CE1-CD2 4.46Å; Y579-Y609 HydrophobicContact CG-CD2 4.22Å; Q580-Y609 HydrophobicContact CB-CD2 4.31Å; Q580-Y609 HydrophobicContact CB-CE2 3.67Å; Q580-Y609 VanDerWaalsContact N-CE2 3.32Å; I583-Y609 HydrophobicContact CG1-CD2 4.18Å; I583-Y609 HydrophobicContact CG1-CG 4.43Å; M605-Y609 PolarHBondContact O-N 3.2Å; W606-Y609 HydrophobicContact CE3-CD1 4.24Å; W606-Y609 HydrophobicContact CE3-CG 4.23Å; W606-Y609 HydrophobicContact CZ3-CD1 4.41Å; W606-Y609 HydrophobicContact CZ3-CG 4.38Å; W606-Y609 WeakPolarHBondContact O-CB 3.41Å; W606-Y609 PolarHBondContact O-N 3.43Å; Y609-T611 PolarHBondContact O-N 2.66Å; Y609-T612 PolarHBondContact O-N 3.16Å; Y609-K613 HydrophobicContact CD1-CG 4.19Å; Y609-K613 HydrophobicContact CE1-CG 3.74Å; Y609-K613 HydrophobicContact CE2-CG 4.29Å; Y609-K613 WeakPolarHBondContact O-CG 3.28Å; Y609-K613 PolarHBondContact O-N 3.17Å; Y609-K613 WeakPolarHBondContact OH-CE 3.43Å
610	L	98.3	Very high	88.6	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-39	177.6	-68	172.3	0	0	0	112.8	L455 I458 L476 W478 V481 W606 F607 H608 K613 L614	L455-L610 HydrophobicContact CD2-CB 3.95Å; I458-L610 HydrophobicContact CD1-CD1 3.85Å; I458-L610 HydrophobicContact CG2-CD1 3.98Å; L476-L610 HydrophobicContact CD1-CD1 4.41Å; L476-L610 HydrophobicContact CD2-CD1 4.15Å; L476-L610 HydrophobicContact CG-CD1 3.93Å; W478-L610 HydrophobicContact CB-CD2 3.98Å; V481-L610 HydrophobicContact CG2-CD1 4.2Å; V481-L610 HydrophobicContact CG2-CD2 3.94Å; W606-L610 WeakPolarHBondContact O-CG 3.48Å; W606-L610 PolarHBondContact O-N 3.28Å; F607-L610 PolarHBondContact O-N 2.9Å; H608-L610 VanDerWaalsContact C-N 3.28Å; H608-L610 PolarHBondContact O-N 3.48Å; L610-K613 PolarHBondContact O-N 2.71Å; L610-L614 WeakPolarHBondContact O-CB 3.26Å; L610-L614 WeakPolarHBondContact O-CG 3.42Å; L610-L614 PolarHBondContact O-N 2.97Å
611	T	97.4	Very high	86.3	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-44.2	174.5	60.6	0	0	0	0	111.6	L455 F607 H608 Y609 L614 Y615 L652 E653 T656	L455-T611 HydrophobicContact CD1-CG2 4.07Å; L455-T611 HydrophobicContact CD2-CG2 3.77Å; F607-T611 HydrophobicContact CD1-CG2 3.82Å; F607-T611 HydrophobicContact CE1-CG2 3.49Å; F607-T611 VanDerWaalsContact CE1-CG2 3.49Å; F607-T611 HydrophobicContact CZ-CG2 4.28Å; F607-T611 WeakPolarHBondContact O-CG2 2.85Å; F607-T611 PolarHBondContact O-N 3.02Å; H608-T611 WeakPolarHBondContact CA-OG1 3.47Å; H608-T611 PolarHBondContact O-N 2.92Å; H608-T611 PolarHBondContact O-OG1 3.44Å; Y609-T611 PolarHBondContact O-N 2.66Å; T611-L614 PolarHBondContact O-N 3.28Å; T611-Y615 WeakPolarHBondContact O-CB 3.47Å; T611-Y615 PolarHBondContact O-N 3.16Å; T611-L652 HydrophobicContact CG2-CB 3.94Å; T611-E653 WeakPolarHBondContact OG1-CA 3.37Å; T611-T656 PolarHBondContact OG1-OG1 2.84Å
612	T	95.8	Very high	84	Confident	44 Å²	44	30 Å²	30	27%	0.27	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-47.1	177	-59.9	0	0	0	0	111.1	H608 Y609 L614 Y615 T616	H608-T612 PolarHBondContact CE1-OG1 2.85Å; H608-T612 PolarHBondContact NE2-OG1 3.21Å; H608-T612 PolarHBondContact O-N 3.04Å; H608-T612 PolarHBondContact O-OG1 3.09Å; Y609-T612 PolarHBondContact O-N 3.16Å; T612-L614 VanDerWaalsContact C-N 3.33Å; T612-L614 PolarHBondContact O-N 3.13Å; T612-Y615 PolarHBondContact O-N 3.48Å; T612-T616 PolarHBondContact O-N 2.7Å
613	K	95.1	Very high	81.6	Confident	32 Å²	32	32.6 Å²	32.6	14%	0.139	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-33.6	177.1	-72.2	-56.1	-163.5	170.7	0	114	W478 D578 Y609 L610	W478-K613 HydrophobicContact CD2-CB 4.19Å; W478-K613 HydrophobicContact CD2-CD 4.05Å; W478-K613 HydrophobicContact CD2-CG 3.93Å; W478-K613 HydrophobicContact CE3-CB 3.54Å; W478-K613 HydrophobicContact CE3-CD 3.87Å; W478-K613 HydrophobicContact CE3-CG 3.75Å; W478-K613 HydrophobicContact CG-CG 4.49Å; W478-K613 HydrophobicContact CH2-CD 3.72Å; W478-K613 HydrophobicContact CZ2-CD 3.91Å; W478-K613 HydrophobicContact CZ3-CB 3.82Å; W478-K613 HydrophobicContact CZ3-CD 3.7Å; W478-K613 HydrophobicContact CZ3-CG 4.05Å; D578-K613 IonicContact OD1-NZ 3.8Å; D578-K613 IonicContact OD2-NZ 3.21Å; D578-K613 PolarHBondContact OD2-NZ 3.31Å; Y609-K613 HydrophobicContact CD1-CG 4.19Å; Y609-K613 HydrophobicContact CE1-CG 3.74Å; Y609-K613 HydrophobicContact CE2-CG 4.29Å; Y609-K613 WeakPolarHBondContact O-CG 3.28Å; Y609-K613 PolarHBondContact O-N 3.17Å; Y609-K613 WeakPolarHBondContact OH-CE 3.43Å; L610-K613 PolarHBondContact O-N 2.71Å
614	L	95.4	Very high	79.1	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-90.6	-14.9	-179.7	-68.6	174.6	0	0	0	113.9	L440 V444 R451 I454 L455 L610 T611 T612	L440-L614 HydrophobicContact CD1-CD2 4.28Å; L440-L614 HydrophobicContact CD2-CD1 4.26Å; L440-L614 HydrophobicContact CD2-CD2 4.25Å; L440-L614 HydrophobicContact CG-CD2 4.49Å; V444-L614 HydrophobicContact CG1-CD2 3.67Å; V444-L614 HydrophobicContact CG2-CD2 4.43Å; R451-L614 HydrophobicContact CB-CB 4.49Å; R451-L614 VanDerWaalsContact CD-O 3.28Å; R451-L614 WeakPolarHBondContact CD-O 3.05Å; R451-L614 HydrophobicContact CG-CD2 4.34Å; R451-L614 PolarHBondContact NH1-O 3.31Å; I454-L614 HydrophobicContact CG2-CD1 4.2Å; L455-L614 HydrophobicContact CD1-CB 4.32Å; L455-L614 HydrophobicContact CD1-CD1 4.03Å; L455-L614 HydrophobicContact CD2-CD1 3.9Å; L455-L614 HydrophobicContact CG-CD1 3.65Å; L610-L614 WeakPolarHBondContact O-CB 3.26Å; L610-L614 WeakPolarHBondContact O-CG 3.42Å; L610-L614 PolarHBondContact O-N 2.97Å; T611-L614 PolarHBondContact O-N 3.28Å; T612-L614 VanDerWaalsContact C-N 3.33Å; T612-L614 PolarHBondContact O-N 3.13Å
615	Y	91.1	Very high	76.4	Confident	16 Å²	16	40 Å²	40	6%	0.063	23%	0.233	C	C	.	.	S	Bend	trans	-98.2	3.8	179.5	174.8	-109.1	0	0	0	113.8	T611 T612 D617 L649 K650 E653	T611-Y615 WeakPolarHBondContact O-CB 3.47Å; T611-Y615 PolarHBondContact O-N 3.16Å; T612-Y615 PolarHBondContact O-N 3.48Å; Y615-D617 PolarHBondContact O-N 3.35Å; Y615-D617 PolarHBondContact OH-OD1 3.21Å; Y615-D617 PolarHBondContact OH-OD2 2.85Å; Y615-L649 HydrophobicContact CD2-CB 3.98Å; Y615-K650 HydrophobicContact CD2-CB 3.9Å; Y615-K650 HydrophobicContact CE1-CB 4.31Å; Y615-K650 HydrophobicContact CE1-CG 3.97Å; Y615-K650 HydrophobicContact CE2-CB 3.39Å; Y615-K650 HydrophobicContact CE2-CD 4.2Å; Y615-K650 HydrophobicContact CE2-CG 3.83Å; Y615-K650 WeakPolarHBondContact OH-CD 3.4Å; Y615-K650 WeakPolarHBondContact OH-CE 3.48Å; Y615-K650 PolarHBondContact OH-NZ 3.44Å; Y615-E653 HydrophobicContact CD1-CB 3.94Å; Y615-E653 HydrophobicContact CD1-CG 3.94Å; Y615-E653 HydrophobicContact CG-CB 4.24Å
616	T	78.2	Confident	73.7	Confident	56 Å²	56	42.8 Å²	42.8	34%	0.344	25%	0.253	S	S	.	.			trans	-50.7	123.4	-177.2	45.4	0	0	0	0	114.3	T612 S618 D619	T612-T616 PolarHBondContact O-N 2.7Å; T616-S618 PolarHBondContact O-N 2.97Å; T616-S618 VanDerWaalsContact O-N 3.12Å; T616-D619 PolarHBondContact O-N 2.99Å; T616-D619 PolarHBondContact OG1-OD2 3.13Å
617	D	57.4	Low	71.1	Confident	80 Å²	80	46.6 Å²	46.6	43%	0.428	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.1	-173.4	-91.8	-54.8	0	0	0	113.9	Y615 D619 R620 L621	Y615-D617 PolarHBondContact O-N 3.35Å; Y615-D617 PolarHBondContact OH-OD1 3.21Å; Y615-D617 PolarHBondContact OH-OD2 2.85Å; D617-D619 PolarHBondContact O-N 3.21Å; D617-D619 VanDerWaalsContact O-N 3.16Å; D617-R620 WeakPolarHBondContact O-CB 3.37Å; D617-R620 PolarHBondContact O-N 3.03Å; D617-R620 WeakPolarHBondContact OD1-CD 3.13Å; D617-L621 PolarHBondContact O-N 2.84Å
618	S	58.2	Low	68.2	Low	78 Å²	78	51.7 Å²	51.7	55%	0.545	32%	0.316	S	S	.	.	H	α-helix	trans	-54.6	-31.8	174.8	-49.4	0	0	0	0	113.3	T616 L621 S622	T616-S618 PolarHBondContact O-N 2.97Å; T616-S618 VanDerWaalsContact O-N 3.12Å; S618-L621 PolarHBondContact O-N 2.67Å; S618-S622 PolarHBondContact O-N 3.09Å
619	D	55.5	Low	65.2	Low	48 Å²	48	55.4 Å²	55.4	26%	0.257	34%	0.342	S	S	.	.	H	α-helix	trans	-78.5	-17.7	176.7	-68.1	-50.3	0	0	0	113.8	R451 T616 D617 S622 T623 W646	R451-D619 IonicContact CZ-OD2 2.68Å; R451-D619 IonicContact NH1-OD2 3.96Å; R451-D619 PolarHBondContact NH1-OD2 3.48Å; R451-D619 IonicContact NH2-OD1 2.68Å; R451-D619 IonicContact NH2-OD2 2.7Å; R451-D619 PolarHBondContact NH2-OD2 2.74Å; T616-D619 PolarHBondContact O-N 2.99Å; T616-D619 PolarHBondContact OG1-OD2 3.13Å; D617-D619 PolarHBondContact O-N 3.21Å; D617-D619 VanDerWaalsContact O-N 3.16Å; D619-S622 PolarHBondContact O-OG 3.01Å; D619-S622 VanDerWaalsContact O-OG 3.06Å; D619-T623 WeakPolarHBondContact O-CG2 3.24Å; D619-T623 PolarHBondContact O-N 2.8Å; D619-T623 PolarHBondContact O-OG1 3.47Å; D619-W646 HydrophobicContact CB-CH2 3.93Å; D619-W646 HydrophobicContact CB-CZ2 4.26Å
620	R	54	Low	62.4	Low	79 Å²	79	60.4 Å²	60.4	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-76.3	-34.5	171.8	-53.2	-171.2	96.5	-140.3	-0.9	110.5	D617 T623 S624 W646	D617-R620 WeakPolarHBondContact O-CB 3.37Å; D617-R620 PolarHBondContact O-N 3.03Å; D617-R620 WeakPolarHBondContact OD1-CD 3.13Å; R620-T623 WeakPolarHBondContact CA-OG1 3.4Å; R620-T623 PolarHBondContact O-OG1 2.89Å; R620-S624 WeakPolarHBondContact O-CB 3.36Å; R620-S624 PolarHBondContact O-N 2.94Å; R620-S624 PolarHBondContact O-OG 2.82Å; R620-W646 HydrophobicContact CG-CD2 4.49Å
621	L	49.3	Very low	59.4	Low	122 Å²	122	66.7 Å²	66.7	64%	0.639	42%	0.421	S	S	*	.	H	α-helix	trans	-66.3	-42.9	176	-71.7	166.5	0	0	0	112.1	D617 S618 S625	D617-L621 PolarHBondContact O-N 2.84Å; S618-L621 PolarHBondContact O-N 2.67Å; L621-S625 VanDerWaalsContact O-CB 3.25Å; L621-S625 WeakPolarHBondContact O-CB 3.46Å; L621-S625 PolarHBondContact O-N 3.4Å; L621-S625 VanDerWaalsContact O-N 3.08Å; L621-S625 PolarHBondContact O-OG 3.47Å
622	S	49.8	Very low	56.7	Low	64 Å²	64	69 Å²	69	45%	0.448	44%	0.438	S	S	.	.	H	α-helix	trans	-64.8	-42.8	177.1	61.9	0	0	0	0	112.9	S618 D619 S626	S618-S622 PolarHBondContact O-N 3.09Å; D619-S622 PolarHBondContact O-OG 3.01Å; D619-S622 VanDerWaalsContact O-OG 3.06Å; S622-S626 PolarHBondContact O-OG 3.05Å
623	T	48.9	Very low	54.3	Low	55 Å²	55	73 Å²	73	34%	0.337	47%	0.467	S	S	.	.	H	α-helix	trans	-71.6	-40.1	177.8	50.9	0	0	0	0	113.4	D619 R620	D619-T623 WeakPolarHBondContact O-CG2 3.24Å; D619-T623 PolarHBondContact O-N 2.8Å; D619-T623 PolarHBondContact O-OG1 3.47Å; R620-T623 WeakPolarHBondContact CA-OG1 3.4Å; R620-T623 PolarHBondContact O-OG1 2.89Å
624	S	45.2	Very low	52	Low	70 Å²	70	76.2 Å²	76.2	49%	0.49	49%	0.493	S	S	.	.	H	α-helix	trans	-74.1	-38.9	-177.6	-53.1	0	0	0	0	112.4	R620 S626 S627	R620-S624 WeakPolarHBondContact O-CB 3.36Å; R620-S624 PolarHBondContact O-N 2.94Å; R620-S624 PolarHBondContact O-OG 2.82Å; S624-S626 PolarHBondContact O-N 3.42Å; S624-S626 VanDerWaalsContact O-N 3.11Å; S624-S627 PolarHBondContact O-N 3.24Å; S624-S627 PolarHBondContact O-OG 3.06Å
625	S	41.8	Very low	49.7	Very low	85 Å²	85	77.9 Å²	77.9	59%	0.594	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.9	-178.2	-55.3	0	0	0	0	113.7	L621	L621-S625 VanDerWaalsContact O-CB 3.25Å; L621-S625 WeakPolarHBondContact O-CB 3.46Å; L621-S625 PolarHBondContact O-N 3.4Å; L621-S625 VanDerWaalsContact O-N 3.08Å; L621-S625 PolarHBondContact O-OG 3.47Å
626	S	43.5	Very low	48.2	Very low	63 Å²	63	80.7 Å²	80.7	44%	0.441	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.1	176.2	-54.7	0	0	0	0	113.5	S622 S624	S622-S626 PolarHBondContact O-OG 3.05Å; S624-S626 PolarHBondContact O-N 3.42Å; S624-S626 VanDerWaalsContact O-N 3.11Å
627	S	43.8	Very low	47.4	Very low	80 Å²	80	81.8 Å²	81.8	56%	0.559	54%	0.537	S	S	*	.	S	Bend	trans	-103.6	1.1	-171.2	65.4	0	0	0	0	115.5	S624 S629	S624-S627 PolarHBondContact O-N 3.24Å; S624-S627 PolarHBondContact O-OG 3.06Å; S627-S629 VanDerWaalsContact C-N 3.28Å; S627-S629 PolarHBondContact O-N 2.95Å
628	S	37.6	Very low	47.8	Very low	107 Å²	107	79.4 Å²	79.4	75%	0.748	53%	0.527	S	S	*	.	S	Bend	trans	-85.8	16.3	-177.3	45.3	0	0	0	0	114.6
629	S	35.6	Very low	48.9	Very low	82 Å²	82	78.2 Å²	78.2	57%	0.573	52%	0.518	S	S	*	.	S	Bend	trans	-140.3	138.9	174.1	59.4	0	0	0	0	113.5	S627	S627-S629 VanDerWaalsContact C-N 3.28Å; S627-S629 PolarHBondContact O-N 2.95Å
630	S	38	Very low	50.4	Low	106 Å²	106	82.2 Å²	82.2	74%	0.741	54%	0.536	S	S	*	.			trans	62.7	117.8	179.3	58.3	0	0	0	0	118.1	S632	S630-S632 PolarHBondContact O-N 2.94Å
631	S	36.8	Very low	52	Low	131 Å²	131	79.6 Å²	79.6	92%	0.916	53%	0.528	S	S	*	.			trans	-82.4	95.3	171.1	52.2	0	0	0	0	111.7
632	S	40	Very low	54	Low	51 Å²	51	76 Å²	76	36%	0.357	51%	0.507	S	S	.	.			trans	-109.8	120.3	164	54.9	0	0	0	0	109.8	D508 S630 S634	D508-S632 PolarHBondContact OD1-OG 3.47Å; S630-S632 PolarHBondContact O-N 2.94Å; S632-S634 VanDerWaalsContact C-N 3.29Å; S632-S634 PolarHBondContact O-N 2.9Å
633	S	46.2	Very low	56	Low	126 Å²	126	77 Å²	77	88%	0.881	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	23.5	-165.3	47.8	0	0	0	0	115.3
634	S	45.6	Very low	58	Low	100 Å²	100	76.3 Å²	76.3	70%	0.699	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-2.9	-172.8	50.2	0	0	0	0	116.2	S632	S632-S634 VanDerWaalsContact C-N 3.29Å; S632-S634 PolarHBondContact O-N 2.9Å
635	S	48.2	Very low	60.3	Low	36 Å²	36	73 Å²	73	25%	0.252	48%	0.48	S	S	.	.			trans	-104.2	22.2	179.5	56.4	0	0	0	0	114.2	S639	S635-S639 PolarHBondContact O-OG 3.49Å
636	S	59.1	Low	62.8	Low	76 Å²	76	69.4 Å²	69.4	53%	0.531	45%	0.454	S	S	.	.	H	α-helix	trans	-71.2	-37.8	-169.3	51.8	0	0	0	0	115.4	S639 E640	S636-S639 WeakPolarHBondContact CA-OG 3.39Å; S636-S639 PolarHBondContact O-N 2.99Å; S636-S639 PolarHBondContact O-OG 2.81Å; S636-E640 WeakPolarHBondContact O-CB 3.39Å; S636-E640 PolarHBondContact O-N 3.5Å
637	S	60	Low	65.2	Low	78 Å²	78	73.2 Å²	73.2	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-69.7	-44.9	-171.2	58.7	0	0	0	0	113.5	S639 L641	S637-S639 VanDerWaalsContact C-N 3.34Å; S637-S639 PolarHBondContact O-N 2.99Å; S637-L641 WeakPolarHBondContact O-CB 3.37Å; S637-L641 PolarHBondContact O-N 3.16Å
638	S	67.1	Low	67.6	Low	30 Å²	30	71.6 Å²	71.6	21%	0.21	45%	0.446	C	S	.	.	H	α-helix	trans	-68.9	-33	177.8	48.8	0	0	0	0	112.7	H642	S638-H642 WeakPolarHBondContact O-CB 3.43Å; S638-H642 PolarHBondContact O-CD2 3.48Å; S638-H642 PolarHBondContact O-N 3.29Å
639	S	80.7	Confident	70.4	Confident	53 Å²	53	66.5 Å²	66.5	37%	0.371	41%	0.41	S	S	.	.	H	α-helix	trans	-73.5	-38.7	177.1	51.9	0	0	0	0	111.9	S635 S636 S637 H642 N643	S635-S639 PolarHBondContact O-OG 3.49Å; S636-S639 WeakPolarHBondContact CA-OG 3.39Å; S636-S639 PolarHBondContact O-N 2.99Å; S636-S639 PolarHBondContact O-OG 2.81Å; S637-S639 VanDerWaalsContact C-N 3.34Å; S637-S639 PolarHBondContact O-N 2.99Å; S639-H642 PolarHBondContact O-N 2.93Å; S639-N643 WeakPolarHBondContact O-CB 3.41Å; S639-N643 PolarHBondContact O-N 3.12Å; S639-N643 PolarHBondContact O-ND2 3.25Å
640	E	86.9	Confident	73.2	Confident	133 Å²	133	67.5 Å²	67.5	62%	0.621	40%	0.404	S	S	*	.	H	α-helix	trans	-60.4	-48.5	169.8	-177.3	167.2	-157.1	0	0	111.5	S636 H642 N643 V644	S636-E640 WeakPolarHBondContact O-CB 3.39Å; S636-E640 PolarHBondContact O-N 3.5Å; E640-H642 VanDerWaalsContact C-N 3.34Å; E640-H642 PolarHBondContact O-N 3.34Å; E640-N643 WeakPolarHBondContact O-CB 3.3Å; E640-N643 PolarHBondContact O-N 2.94Å; E640-N643 VanDerWaalsContact O-N 3.08Å; E640-V644 WeakPolarHBondContact O-CG2 3.3Å; E640-V644 PolarHBondContact O-N 3.31Å
641	L	87.8	Confident	75.9	Confident	24 Å²	24	66.7 Å²	66.7	13%	0.126	39%	0.388	C	S	.	.	H	α-helix	trans	-63	-39.7	180	-171.6	66.5	0	0	0	112.7	L517 S637 N643 V644 C645 F682	L517-L641 HydrophobicContact CD1-CD2 4.33Å; S637-L641 WeakPolarHBondContact O-CB 3.37Å; S637-L641 PolarHBondContact O-N 3.16Å; L641-N643 VanDerWaalsContact C-N 3.33Å; L641-N643 PolarHBondContact O-N 3.06Å; L641-V644 PolarHBondContact O-N 3.01Å; L641-C645 PolarHBondContact O-N 3.38Å; L641-C645 PolarHBondContact O-SG 3.49Å; L641-F682 HydrophobicContact CD1-CD1 3.51Å; L641-F682 HydrophobicContact CD1-CE1 3.59Å; L641-F682 HydrophobicContact CD2-CD1 3.74Å; L641-F682 HydrophobicContact CD2-CE1 3.86Å; L641-F682 HydrophobicContact CG-CD1 4.14Å; L641-F682 HydrophobicContact CG-CE1 4.03Å
642	H	91.6	Very high	78.8	Confident	45 Å²	45	60.4 Å²	60.4	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-59.7	-43.8	172.8	-78.7	-165.4	0	0	0	111.6	C447 P448 C511 C514 S638 S639 E640 C645 W646	C447-H642 PolarHBondContact SG-NE2 2.95Å; C447-H642 VanDerWaalsContact SG-NE2 3.42Å; P448-H642 HydrophobicContact CG-CB 3.73Å; P448-H642 WeakPolarHBondContact CG-O 3.23Å; C511-H642 PolarHBondContact SG-NE2 3.14Å; C514-H642 PolarHBondContact SG-NE2 3.05Å; S638-H642 WeakPolarHBondContact O-CB 3.43Å; S638-H642 PolarHBondContact O-CD2 3.48Å; S638-H642 PolarHBondContact O-N 3.29Å; S639-H642 PolarHBondContact O-N 2.93Å; E640-H642 VanDerWaalsContact C-N 3.34Å; E640-H642 PolarHBondContact O-N 3.34Å; H642-C645 PolarHBondContact O-N 3.26Å; H642-W646 VanDerWaalsContact O-CD1 3.27Å; H642-W646 PolarHBondContact O-N 2.91Å
643	N	91.5	Very high	81.4	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-39	177.7	-79.3	-43.4	0	0	0	112.7	S639 E640 L641 K647	S639-N643 WeakPolarHBondContact O-CB 3.41Å; S639-N643 PolarHBondContact O-N 3.12Å; S639-N643 PolarHBondContact O-ND2 3.25Å; E640-N643 WeakPolarHBondContact O-CB 3.3Å; E640-N643 PolarHBondContact O-N 2.94Å; E640-N643 VanDerWaalsContact O-N 3.08Å; L641-N643 VanDerWaalsContact C-N 3.33Å; L641-N643 PolarHBondContact O-N 3.06Å; N643-K647 WeakPolarHBondContact O-CG 3.31Å; N643-K647 PolarHBondContact O-N 3.08Å
644	V	91.4	Very high	83.8	Confident	40 Å²	40	57.3 Å²	57.3	24%	0.242	31%	0.313	C	S	.	.	H	α-helix	trans	-63.5	-48.6	172.8	174.1	0	0	0	0	110.4	E640 L641 W646 K647 Q648 L681	E640-V644 WeakPolarHBondContact O-CG2 3.3Å; E640-V644 PolarHBondContact O-N 3.31Å; L641-V644 PolarHBondContact O-N 3.01Å; V644-W646 PolarHBondContact O-N 3.4Å; V644-K647 WeakPolarHBondContact O-CB 3.4Å; V644-K647 PolarHBondContact O-N 3.01Å; V644-K647 VanDerWaalsContact O-N 3.09Å; V644-Q648 WeakPolarHBondContact O-CG 3.39Å; V644-Q648 PolarHBondContact O-N 3.03Å; V644-L681 HydrophobicContact CG1-CD1 3.67Å; V644-L681 HydrophobicContact CG1-CD2 4.01Å; V644-L681 HydrophobicContact CG1-CG 3.92Å
645	C	93.4	Very high	86.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-37.6	-179.2	-66.2	0	0	0	0	112.6	P448 C449 L452 L641 H642 K647 Q648 L649	P448-C645 HydrophobicContact CB-CB 3.95Å; P448-C645 HydrophobicContact CG-CB 4.21Å; C449-C645 PolarHBondContact SG-SG 3.13Å; L452-C645 HydrophobicContact CD2-CB 3.99Å; L641-C645 PolarHBondContact O-N 3.38Å; L641-C645 PolarHBondContact O-SG 3.49Å; H642-C645 PolarHBondContact O-N 3.26Å; C645-K647 VanDerWaalsContact C-N 3.34Å; C645-K647 PolarHBondContact O-N 3.3Å; C645-Q648 PolarHBondContact O-N 3.04Å; C645-L649 WeakPolarHBondContact O-CG 3.49Å; C645-L649 PolarHBondContact O-N 3.22Å
646	W	94.1	Very high	88.5	Confident	10 Å²	10	52 Å²	52	4%	0.038	27%	0.274	C	S	.	.	H	α-helix	trans	-60.6	-39.4	171.4	-82.1	127.7	0	0	0	113.2	P448 D619 R620 H642 V644 Q648 L649 K650	P448-W646 HydrophobicContact CB-CD2 3.72Å; P448-W646 HydrophobicContact CB-CE3 4.24Å; P448-W646 HydrophobicContact CB-CG 3.96Å; P448-W646 HydrophobicContact CB-CZ2 4.15Å; P448-W646 HydrophobicContact CG-CD2 4.33Å; P448-W646 HydrophobicContact CG-CG 4.25Å; D619-W646 HydrophobicContact CB-CH2 3.93Å; D619-W646 HydrophobicContact CB-CZ2 4.26Å; R620-W646 HydrophobicContact CG-CD2 4.49Å; H642-W646 VanDerWaalsContact O-CD1 3.27Å; H642-W646 PolarHBondContact O-N 2.91Å; V644-W646 PolarHBondContact O-N 3.4Å; W646-Q648 VanDerWaalsContact C-N 3.35Å; W646-L649 HydrophobicContact CD2-CD1 4.37Å; W646-L649 HydrophobicContact CE3-CB 4.47Å; W646-L649 HydrophobicContact CE3-CD1 3.61Å; W646-L649 HydrophobicContact CZ3-CD1 3.79Å; W646-L649 PolarHBondContact O-N 3.48Å; W646-K650 PolarHBondContact O-N 3.2Å
647	K	93.7	Very high	90.2	Very high	143 Å²	143	55.1 Å²	55.1	62%	0.622	27%	0.274	S	S	*	.	H	α-helix	trans	-64.8	-39.3	174.6	-69.8	170.2	-177.1	176.2	0	111.4	N643 V644 C645 K650 H651	N643-K647 WeakPolarHBondContact O-CG 3.31Å; N643-K647 PolarHBondContact O-N 3.08Å; V644-K647 WeakPolarHBondContact O-CB 3.4Å; V644-K647 PolarHBondContact O-N 3.01Å; V644-K647 VanDerWaalsContact O-N 3.09Å; C645-K647 VanDerWaalsContact C-N 3.34Å; C645-K647 PolarHBondContact O-N 3.3Å; K647-K650 PolarHBondContact O-N 2.95Å; K647-H651 WeakPolarHBondContact O-CB 3.37Å; K647-H651 PolarHBondContact O-N 3.24Å
648	Q	94.7	Very high	91.9	Very high	45 Å²	45	53.9 Å²	53.9	21%	0.21	27%	0.266	C	S	.	.	H	α-helix	trans	-70.7	-36.9	177	-59.3	-54.2	-16.6	0	0	112.9	L452 V644 C645 W646 H651 L652 I674 L681	L452-Q648 HydrophobicContact CD1-CB 4.23Å; L452-Q648 HydrophobicContact CD2-CB 3.67Å; L452-Q648 HydrophobicContact CD2-CG 4.27Å; V644-Q648 WeakPolarHBondContact O-CG 3.39Å; V644-Q648 PolarHBondContact O-N 3.03Å; C645-Q648 PolarHBondContact O-N 3.04Å; W646-Q648 VanDerWaalsContact C-N 3.35Å; Q648-H651 PolarHBondContact O-N 3.09Å; Q648-L652 PolarHBondContact O-N 3.36Å; Q648-I674 HydrophobicContact CB-CG2 4.26Å; Q648-L681 HydrophobicContact CG-CD2 4.14Å
649	L	95.6	Very high	93.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-48.1	171.4	-73.5	168.2	0	0	0	111.2	P448 R451 L452 L455 Y615 C645 W646 H651 L652 E653	P448-L649 HydrophobicContact CB-CD1 3.81Å; R451-L649 HydrophobicContact CB-CD1 4.01Å; R451-L649 HydrophobicContact CB-CD2 4.14Å; L452-L649 HydrophobicContact CB-CD2 4.08Å; L452-L649 HydrophobicContact CB-CG 4.28Å; L452-L649 HydrophobicContact CD1-CD2 4.25Å; L455-L649 HydrophobicContact CD1-CD2 3.49Å; L455-L649 VanDerWaalsContact CD1-CD2 3.49Å; Y615-L649 HydrophobicContact CD2-CB 3.98Å; C645-L649 WeakPolarHBondContact O-CG 3.49Å; C645-L649 PolarHBondContact O-N 3.22Å; W646-L649 HydrophobicContact CD2-CD1 4.37Å; W646-L649 HydrophobicContact CE3-CB 4.47Å; W646-L649 HydrophobicContact CE3-CD1 3.61Å; W646-L649 HydrophobicContact CZ3-CD1 3.79Å; W646-L649 PolarHBondContact O-N 3.48Å; L649-H651 VanDerWaalsContact C-N 3.27Å; L649-H651 PolarHBondContact O-N 3.05Å; L649-L652 PolarHBondContact O-N 3.48Å; L649-E653 PolarHBondContact O-N 2.87Å
650	K	95.1	Very high	93.7	Very high	103 Å²	103	57.5 Å²	57.5	45%	0.448	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-41.3	173.6	-170.5	167.2	-166.4	131.3	0	112.1	Y615 W646 K647 L654	Y615-K650 HydrophobicContact CD2-CB 3.9Å; Y615-K650 HydrophobicContact CE1-CB 4.31Å; Y615-K650 HydrophobicContact CE1-CG 3.97Å; Y615-K650 HydrophobicContact CE2-CB 3.39Å; Y615-K650 HydrophobicContact CE2-CD 4.2Å; Y615-K650 HydrophobicContact CE2-CG 3.83Å; Y615-K650 WeakPolarHBondContact OH-CD 3.4Å; Y615-K650 WeakPolarHBondContact OH-CE 3.48Å; Y615-K650 PolarHBondContact OH-NZ 3.44Å; W646-K650 PolarHBondContact O-N 3.2Å; K647-K650 PolarHBondContact O-N 2.95Å; K650-L654 VanDerWaalsContact O-CB 3.32Å; K650-L654 WeakPolarHBondContact O-CB 3.25Å; K650-L654 PolarHBondContact O-N 2.74Å
651	H	95.1	Very high	94.2	Very high	88 Å²	88	55 Å²	55	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-68.6	-43.5	-179	-167.8	29.2	0	0	0	111.7	K647 Q648 L649 L654 I655 I674	K647-H651 WeakPolarHBondContact O-CB 3.37Å; K647-H651 PolarHBondContact O-N 3.24Å; Q648-H651 PolarHBondContact O-N 3.09Å; L649-H651 VanDerWaalsContact C-N 3.27Å; L649-H651 PolarHBondContact O-N 3.05Å; H651-L654 PolarHBondContact O-N 2.68Å; H651-I655 WeakPolarHBondContact CE1-CG2 3.38Å; H651-I655 WeakPolarHBondContact ND1-CG2 3.39Å; H651-I655 VanDerWaalsContact O-CG1 3.25Å; H651-I655 WeakPolarHBondContact O-CG1 3.43Å; H651-I655 WeakPolarHBondContact O-CG2 3.48Å; H651-I655 PolarHBondContact O-N 3.04Å; H651-I674 HydrophobicContact CB-CD1 4.04Å
652	L	96.1	Very high	94.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.3	-46.7	173.2	-82.6	173.7	0	0	0	112.1	L452 L455 F607 T611 Q648 L649 I655 T656 I674 F675	L452-L652 HydrophobicContact CD1-CD1 3.45Å; L452-L652 VanDerWaalsContact CD1-CD1 3.45Å; L455-L652 HydrophobicContact CB-CD1 4.33Å; L455-L652 HydrophobicContact CD1-CD1 4.16Å; F607-L652 HydrophobicContact CE1-CD2 4.34Å; T611-L652 HydrophobicContact CG2-CB 3.94Å; Q648-L652 PolarHBondContact O-N 3.36Å; L649-L652 PolarHBondContact O-N 3.48Å; L652-I655 HydrophobicContact CD2-CD1 4.45Å; L652-T656 WeakPolarHBondContact O-CB 3.32Å; L652-T656 VanDerWaalsContact O-CG2 3.24Å; L652-T656 WeakPolarHBondContact O-CG2 3.34Å; L652-T656 PolarHBondContact O-N 3.34Å; L652-T656 VanDerWaalsContact O-N 3.17Å; L652-T656 PolarHBondContact O-OG1 3.37Å; L652-I674 HydrophobicContact CD1-CG2 4.36Å; L652-I674 HydrophobicContact CD2-CB 4.47Å; L652-I674 HydrophobicContact CD2-CD1 3.83Å; L652-I674 HydrophobicContact CD2-CG2 4.48Å; L652-I674 HydrophobicContact CG-CD1 3.64Å; L652-I674 HydrophobicContact CG-CG2 4.31Å; L652-F675 HydrophobicContact CD2-CE2 3.99Å
653	E	95.9	Very high	94.9	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-60.6	-52	177.2	-173.7	-78.7	142.1	0	0	110.9	H608 T611 Y615 L649 I655 T656 R657	H608-E653 IonicContact CE1-OE1 3.93Å; H608-E653 PolarHBondContact CE1-OE1 2.98Å; T611-E653 WeakPolarHBondContact OG1-CA 3.37Å; Y615-E653 HydrophobicContact CD1-CB 3.94Å; Y615-E653 HydrophobicContact CD1-CG 3.94Å; Y615-E653 HydrophobicContact CG-CB 4.24Å; L649-E653 PolarHBondContact O-N 2.87Å; E653-I655 PolarHBondContact O-N 3.01Å; E653-T656 PolarHBondContact O-N 2.94Å; E653-T656 PolarHBondContact O-OG1 3.28Å; E653-R657 WeakPolarHBondContact O-CB 3.47Å; E653-R657 PolarHBondContact O-N 3.19Å; E653-R657 IonicContact OE1-CZ 2.68Å; E653-R657 IonicContact OE1-NE 2.76Å; E653-R657 PolarHBondContact OE1-NE 3.11Å; E653-R657 IonicContact OE1-NH2 2.69Å; E653-R657 PolarHBondContact OE1-NH2 2.9Å; E653-R657 IonicContact OE2-CZ 3.49Å; E653-R657 IonicContact OE2-NE 3.61Å; E653-R657 IonicContact OE2-NH2 2.79Å; E653-R657 PolarHBondContact OE2-NH2 3.36Å
654	L	95.6	Very high	95.2	Very high	103 Å²	103	57.3 Å²	57.3	54%	0.539	27%	0.273	S	S	.	.	H	α-helix	trans	-60.6	-42.3	-178.6	-177	65.3	0	0	0	113.3	K650 H651 T656	K650-L654 VanDerWaalsContact O-CB 3.32Å; K650-L654 WeakPolarHBondContact O-CB 3.25Å; K650-L654 PolarHBondContact O-N 2.74Å; H651-L654 PolarHBondContact O-N 2.68Å; L654-T656 VanDerWaalsContact C-N 3.34Å
655	I	95.9	Very high	95.5	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-77.6	-18.1	-178.2	69.2	-168.2	0	0	0	113.4	H651 L652 E653 N661 Y662 I674	H651-I655 WeakPolarHBondContact CE1-CG2 3.38Å; H651-I655 WeakPolarHBondContact ND1-CG2 3.39Å; H651-I655 VanDerWaalsContact O-CG1 3.25Å; H651-I655 WeakPolarHBondContact O-CG1 3.43Å; H651-I655 WeakPolarHBondContact O-CG2 3.48Å; H651-I655 PolarHBondContact O-N 3.04Å; L652-I655 HydrophobicContact CD2-CD1 4.45Å; E653-I655 PolarHBondContact O-N 3.01Å; I655-N661 WeakPolarHBondContact O-CB 3.48Å; I655-N661 PolarHBondContact O-ND2 2.74Å; I655-Y662 HydrophobicContact CB-CE2 4.11Å; I655-Y662 HydrophobicContact CD1-CE2 4.26Å; I655-Y662 HydrophobicContact CG1-CE2 3.96Å; I655-I674 HydrophobicContact CD1-CD1 4.18Å
656	T	96.6	Very high	95.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-97.1	-20.8	178.4	57.9	0	0	0	0	113.1	F607 H608 T611 L652 E653 L654 S658 L668	F607-T656 HydrophobicContact CD1-CG2 3.96Å; F607-T656 HydrophobicContact CE1-CG2 4.26Å; H608-T656 PolarHBondContact ND1-OG1 3.24Å; H608-T656 VanDerWaalsContact ND1-OG1 3.13Å; T611-T656 PolarHBondContact OG1-OG1 2.84Å; L652-T656 WeakPolarHBondContact O-CB 3.32Å; L652-T656 VanDerWaalsContact O-CG2 3.24Å; L652-T656 WeakPolarHBondContact O-CG2 3.34Å; L652-T656 PolarHBondContact O-N 3.34Å; L652-T656 VanDerWaalsContact O-N 3.17Å; L652-T656 PolarHBondContact O-OG1 3.37Å; E653-T656 PolarHBondContact O-N 2.94Å; E653-T656 PolarHBondContact O-OG1 3.28Å; L654-T656 VanDerWaalsContact C-N 3.34Å; T656-S658 CarbonylContact O-C 3.4Å; T656-S658 PolarHBondContact O-N 3.37Å; T656-L668 HydrophobicContact CG2-CD1 4.28Å; T656-L668 HydrophobicContact CG2-CD2 4.35Å
657	R	95.6	Very high	95.9	Very high	143 Å²	143	61.1 Å²	61.1	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-52.6	-37.7	176.3	-169.5	-174.8	-65.9	-173.7	-2.6	113.9	H608 E653 F659	H608-R657 VanDerWaalsContact CE1-CA 3.43Å; H608-R657 WeakPolarHBondContact CE1-CA 3.29Å; H608-R657 PolarHBondContact ND1-N 3.16Å; E653-R657 WeakPolarHBondContact O-CB 3.47Å; E653-R657 PolarHBondContact O-N 3.19Å; E653-R657 IonicContact OE1-CZ 2.68Å; E653-R657 IonicContact OE1-NE 2.76Å; E653-R657 PolarHBondContact OE1-NE 3.11Å; E653-R657 IonicContact OE1-NH2 2.69Å; E653-R657 PolarHBondContact OE1-NH2 2.9Å; E653-R657 IonicContact OE2-CZ 3.49Å; E653-R657 IonicContact OE2-NE 3.61Å; E653-R657 IonicContact OE2-NH2 2.79Å; E653-R657 PolarHBondContact OE2-NH2 3.36Å; R657-F659 PolarHBondContact O-N 3.44Å
658	S	95.3	Very high	96.1	Very high	52 Å²	52	54.3 Å²	54.3	36%	0.364	26%	0.257	S	S	.	.	S	Bend	trans	-87.4	101.7	165	165.4	0	0	0	0	108.8	T656 N660 N661	T656-S658 CarbonylContact O-C 3.4Å; T656-S658 PolarHBondContact O-N 3.37Å; S658-N660 PolarHBondContact O-N 2.66Å; S658-N661 VanDerWaalsContact CB-OD1 3.32Å; S658-N661 WeakPolarHBondContact CB-OD1 3.32Å; S658-N661 VanDerWaalsContact O-CB 3.31Å; S658-N661 WeakPolarHBondContact O-CB 3.25Å; S658-N661 PolarHBondContact O-N 3.08Å; S658-N661 PolarHBondContact OG-OD1 3.17Å
659	F	93.3	Very high	96.3	Very high	26 Å²	26	52.1 Å²	52.1	11%	0.114	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.2	179.4	-52.5	-40.6	0	0	0	113.6	I583 H586 Q601 M605 H608 R657 N661 Y662	I583-F659 HydrophobicContact CD1-CZ 4.25Å; H586-F659 HydrophobicContact CB-CE2 3.93Å; H586-F659 AromaticContact CD2-CE2 3.7Å; H586-F659 AromaticContact CG-CE2 3.66Å; Q601-F659 HydrophobicContact CG-CB 4.21Å; Q601-F659 VanDerWaalsContact NE2-C 3.27Å; Q601-F659 PolarHBondContact NE2-O 2.66Å; M605-F659 HydrophobicContact CB-CD1 4.37Å; M605-F659 HydrophobicContact CB-CE1 4.1Å; M605-F659 HydrophobicContact CB-CZ 4.19Å; M605-F659 HydrophobicContact CE-CD2 4.03Å; M605-F659 HydrophobicContact CE-CG 4.46Å; M605-F659 HydrophobicContact CG-CB 4.46Å; M605-F659 HydrophobicContact CG-CD1 3.87Å; M605-F659 HydrophobicContact CG-CD2 3.78Å; M605-F659 HydrophobicContact CG-CE1 3.98Å; M605-F659 HydrophobicContact CG-CE2 3.89Å; M605-F659 HydrophobicContact CG-CG 3.77Å; M605-F659 HydrophobicContact CG-CZ 3.98Å; M605-F659 HydrophobicContact SD-CD2 4.48Å; H608-F659 HydrophobicContact CB-CD1 4.42Å; H608-F659 HydrophobicContact CB-CE1 3.83Å; H608-F659 AromaticContact CD2-CE1 3.66Å; H608-F659 AromaticContact CG-CE1 3.96Å; R657-F659 PolarHBondContact O-N 3.44Å; F659-N661 VanDerWaalsContact C-N 3.34Å; F659-Y662 VanDerWaalsContact O-O 3.12Å
660	N	93.3	Very high	96.3	Very high	133 Å²	133	53.6 Å²	53.6	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.6	177.5	-66.8	-28	0	0	0	113.5	Q601 S658 Y662	Q601-N660 PolarHBondContact NE2-OD1 3.42Å; S658-N660 PolarHBondContact O-N 2.66Å; N660-Y662 VanDerWaalsContact C-N 3.31Å; N660-Y662 PolarHBondContact O-N 3.44Å
661	N	95.8	Very high	96.3	Very high	79 Å²	79	52.6 Å²	52.6	42%	0.422	26%	0.256	S	S	.	.	S	Bend	trans	-68	-32.2	179.6	-66.7	-0.7	0	0	0	112.2	I655 S658 F659	I655-N661 WeakPolarHBondContact O-CB 3.48Å; I655-N661 PolarHBondContact O-ND2 2.74Å; S658-N661 VanDerWaalsContact CB-OD1 3.32Å; S658-N661 WeakPolarHBondContact CB-OD1 3.32Å; S658-N661 VanDerWaalsContact O-CB 3.31Å; S658-N661 WeakPolarHBondContact O-CB 3.25Å; S658-N661 PolarHBondContact O-N 3.08Å; S658-N661 PolarHBondContact OG-OD1 3.17Å; F659-N661 VanDerWaalsContact C-N 3.34Å
662	Y	97.3	Very high	96.3	Very high	31 Å²	31	48.6 Å²	48.6	12%	0.122	24%	0.237	C	C	.	.			trans	-132.3	126.2	178.2	-61.3	-84.2	0	0	0	110.6	I655 F659 N660 S664 H667 L668 N671 C672	I655-Y662 HydrophobicContact CB-CE2 4.11Å; I655-Y662 HydrophobicContact CD1-CE2 4.26Å; I655-Y662 HydrophobicContact CG1-CE2 3.96Å; F659-Y662 VanDerWaalsContact O-O 3.12Å; N660-Y662 VanDerWaalsContact C-N 3.31Å; N660-Y662 PolarHBondContact O-N 3.44Å; Y662-S664 VanDerWaalsContact C-N 3.32Å; Y662-S664 PolarHBondContact O-N 2.9Å; Y662-H667 AromaticContact CD1-ND1 3.43Å; Y662-H667 WeakPolarHBondContact CD1-ND1 2.97Å; Y662-L668 HydrophobicContact CD1-CB 3.94Å; Y662-L668 HydrophobicContact CD1-CD1 3.92Å; Y662-L668 HydrophobicContact CD2-CD1 3.71Å; Y662-L668 HydrophobicContact CE1-CD1 3.84Å; Y662-L668 HydrophobicContact CE2-CD1 3.63Å; Y662-L668 HydrophobicContact CG-CB 4.01Å; Y662-L668 HydrophobicContact CG-CD1 3.86Å; Y662-N671 HydrophobicContact CE1-CB 4.48Å; Y662-C672 HydrophobicContact CE1-CB 4.35Å
663	K	96.7	Very high	96.1	Very high	158 Å²	158	52.6 Å²	52.6	69%	0.687	26%	0.259	S	S	*	.	S	Bend	trans	-74.7	-21.4	-176	-61.5	-179.5	-179.9	179	0	113.7	Q601	Q601-K663 PolarHBondContact N-O 3.37Å
664	S	98.4	Very high	96	Very high	16 Å²	16	52.8 Å²	52.8	11%	0.112	26%	0.26	C	S	.	.	S	Bend	trans	-165.4	162.9	-174.2	90.2	0	0	0	0	110.1	E466 I604 Y662 Y666 H667 L668	E466-S664 WeakPolarHBondContact OE2-CB 3.34Å; E466-S664 PolarHBondContact OE2-OG 3.19Å; I604-S664 WeakPolarHBondContact CD1-O 3.07Å; Y662-S664 VanDerWaalsContact C-N 3.32Å; Y662-S664 PolarHBondContact O-N 2.9Å; S664-Y666 VanDerWaalsContact C-N 3.28Å; S664-Y666 PolarHBondContact O-N 3.3Å; S664-Y666 WeakPolarHBondContact OG-CB 3.36Å; S664-Y666 PolarHBondContact OG-N 3.34Å; S664-H667 WeakPolarHBondContact O-CB 3.45Å; S664-H667 PolarHBondContact O-N 3.37Å; S664-H667 VanDerWaalsContact O-N 3.11Å; S664-H667 PolarHBondContact OG-N 3.32Å; S664-L668 PolarHBondContact O-N 3.12Å
665	A	98.5	Very high	95.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-37.9	172.2	0	0	0	0	0	112	L462 E466 N603 H667 L668 V669	L462-A665 HydrophobicContact CB-CB 3.54Å; E466-A665 VanDerWaalsContact CD-N 3.26Å; E466-A665 VanDerWaalsContact OE1-CB 3.32Å; E466-A665 WeakPolarHBondContact OE1-CB 3.45Å; E466-A665 PolarHBondContact OE1-N 3.35Å; E466-A665 PolarHBondContact OE2-N 3.23Å; N603-A665 HydrophobicContact CB-CB 4.47Å; A665-H667 PolarHBondContact O-N 3.43Å; A665-L668 WeakPolarHBondContact O-CB 3.17Å; A665-L668 PolarHBondContact O-N 2.86Å; A665-V669 WeakPolarHBondContact O-CG2 3.44Å; A665-V669 PolarHBondContact O-N 2.94Å
666	Y	98.2	Very high	95.5	Very high	68 Å²	68	51.7 Å²	51.7	27%	0.267	25%	0.25	S	C	.	.	H	α-helix	trans	-56.6	-46.4	170.2	179.3	-96.5	0	0	0	112.2	E466 L467 L531 S664 L668 V669 T670	E466-Y666 WeakPolarHBondContact OE2-CB 3.36Å; E466-Y666 PolarHBondContact OE2-N 3.43Å; L467-Y666 HydrophobicContact CB-CD2 4.48Å; L467-Y666 HydrophobicContact CD2-CD2 4.16Å; L467-Y666 HydrophobicContact CD2-CE2 3.8Å; L531-Y666 HydrophobicContact CD1-CD2 3.94Å; L531-Y666 HydrophobicContact CD1-CE2 4.09Å; L531-Y666 HydrophobicContact CD2-CD2 3.94Å; L531-Y666 HydrophobicContact CD2-CE2 4.08Å; L531-Y666 HydrophobicContact CG-CD2 4.16Å; L531-Y666 HydrophobicContact CG-CE2 4.02Å; S664-Y666 VanDerWaalsContact C-N 3.28Å; S664-Y666 PolarHBondContact O-N 3.3Å; S664-Y666 WeakPolarHBondContact OG-CB 3.36Å; S664-Y666 PolarHBondContact OG-N 3.34Å; Y666-L668 VanDerWaalsContact C-N 3.33Å; Y666-L668 PolarHBondContact O-N 3.14Å; Y666-V669 PolarHBondContact O-N 2.64Å; Y666-T670 HydrophobicContact CD1-CG2 4.5Å; Y666-T670 HydrophobicContact CD2-CG2 4.08Å; Y666-T670 HydrophobicContact CE1-CG2 4.14Å; Y666-T670 HydrophobicContact CE2-CG2 3.67Å; Y666-T670 HydrophobicContact CG-CG2 4.47Å; Y666-T670 WeakPolarHBondContact O-CB 3.37Å; Y666-T670 WeakPolarHBondContact O-CG2 3.29Å; Y666-T670 PolarHBondContact O-N 2.92Å; Y666-T670 PolarHBondContact O-OG1 3.04Å
667	H	97.8	Very high	94.8	Very high	62 Å²	62	56.9 Å²	56.9	29%	0.287	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-38	175.9	-173.3	-98.7	0	0	0	111.9	Y662 S664 A665 N671	Y662-H667 AromaticContact CD1-ND1 3.43Å; Y662-H667 WeakPolarHBondContact CD1-ND1 2.97Å; S664-H667 WeakPolarHBondContact O-CB 3.45Å; S664-H667 PolarHBondContact O-N 3.37Å; S664-H667 VanDerWaalsContact O-N 3.11Å; S664-H667 PolarHBondContact OG-N 3.32Å; A665-H667 PolarHBondContact O-N 3.43Å; H667-N671 PolarHBondContact CD2-ND2 3.08Å; H667-N671 VanDerWaalsContact O-CB 3.29Å; H667-N671 WeakPolarHBondContact O-CB 3.24Å; H667-N671 PolarHBondContact O-N 2.89Å; H667-N671 VanDerWaalsContact O-N 3.15Å; H667-N671 PolarHBondContact O-ND2 3.15Å
668	L	98	Very high	94	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-57.6	173.7	175.6	66.7	0	0	0	111.7	I604 F607 T656 Y662 S664 A665 Y666 T670 N671 C672 F675	I604-L668 HydrophobicContact CD1-CB 3.86Å; I604-L668 HydrophobicContact CD1-CD2 3.92Å; I604-L668 HydrophobicContact CD1-CG 4.5Å; F607-L668 HydrophobicContact CD1-CD2 3.66Å; F607-L668 HydrophobicContact CE1-CD2 3.65Å; F607-L668 HydrophobicContact CG-CD2 4.12Å; F607-L668 HydrophobicContact CZ-CD2 4.1Å; T656-L668 HydrophobicContact CG2-CD1 4.28Å; T656-L668 HydrophobicContact CG2-CD2 4.35Å; Y662-L668 HydrophobicContact CD1-CB 3.94Å; Y662-L668 HydrophobicContact CD1-CD1 3.92Å; Y662-L668 HydrophobicContact CD2-CD1 3.71Å; Y662-L668 HydrophobicContact CE1-CD1 3.84Å; Y662-L668 HydrophobicContact CE2-CD1 3.63Å; Y662-L668 HydrophobicContact CG-CB 4.01Å; Y662-L668 HydrophobicContact CG-CD1 3.86Å; S664-L668 PolarHBondContact O-N 3.12Å; A665-L668 WeakPolarHBondContact O-CB 3.17Å; A665-L668 PolarHBondContact O-N 2.86Å; Y666-L668 VanDerWaalsContact C-N 3.33Å; Y666-L668 PolarHBondContact O-N 3.14Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.74Å; L668-N671 PolarHBondContact O-N 3.02Å; L668-C672 HydrophobicContact CD1-CB 3.93Å; L668-C672 WeakPolarHBondContact O-CB 3Å; L668-C672 PolarHBondContact O-N 3.26Å; L668-F675 HydrophobicContact CD1-CE2 4.29Å; L668-F675 HydrophobicContact CD2-CE2 4.07Å; L668-F675 HydrophobicContact CD2-CZ 4.23Å; L668-F675 HydrophobicContact CG-CE2 3.82Å; L668-F675 HydrophobicContact CG-CZ 4.34Å
669	V	97.4	Very high	92.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.7	-42.5	-178.3	173.5	0	0	0	0	111.8	G459 I460 A463 L531 W536 A665 Y666 F675	G459-V669 WeakPolarHBondContact O-CG2 3.44Å; I460-V669 HydrophobicContact CG1-CG1 3.88Å; I460-V669 HydrophobicContact CG1-CG2 4.09Å; A463-V669 HydrophobicContact CB-CB 4.14Å; A463-V669 HydrophobicContact CB-CG2 3.76Å; L531-V669 HydrophobicContact CD2-CB 4.36Å; L531-V669 HydrophobicContact CD2-CG1 3.75Å; W536-V669 HydrophobicContact CE3-CG1 4.3Å; W536-V669 HydrophobicContact CH2-CG1 3.74Å; W536-V669 HydrophobicContact CZ2-CG1 4.06Å; W536-V669 HydrophobicContact CZ3-CG1 3.88Å; A665-V669 WeakPolarHBondContact O-CG2 3.44Å; A665-V669 PolarHBondContact O-N 2.94Å; Y666-V669 PolarHBondContact O-N 2.64Å; V669-F675 HydrophobicContact CB-CD1 4.22Å; V669-F675 HydrophobicContact CB-CG 4.48Å; V669-F675 HydrophobicContact CG1-CD1 4.13Å; V669-F675 HydrophobicContact CG2-CD1 3.76Å; V669-F675 HydrophobicContact CG2-CE1 3.65Å; V669-F675 HydrophobicContact CG2-CG 4.37Å; V669-F675 HydrophobicContact CG2-CZ 4.18Å
670	T	95.8	Very high	91.7	Very high	31 Å²	31	55.5 Å²	55.5	19%	0.19	28%	0.277	C	S	.	.	H	α-helix	trans	-84.1	-6.9	-175.2	58.8	0	0	0	0	114.9	L531 Y666 L668 K676	L531-T670 HydrophobicContact CD2-CG2 4.27Å; Y666-T670 HydrophobicContact CD1-CG2 4.5Å; Y666-T670 HydrophobicContact CD2-CG2 4.08Å; Y666-T670 HydrophobicContact CE1-CG2 4.14Å; Y666-T670 HydrophobicContact CE2-CG2 3.67Å; Y666-T670 HydrophobicContact CG-CG2 4.47Å; Y666-T670 WeakPolarHBondContact O-CB 3.37Å; Y666-T670 WeakPolarHBondContact O-CG2 3.29Å; Y666-T670 PolarHBondContact O-N 2.92Å; Y666-T670 PolarHBondContact O-OG1 3.04Å; L668-T670 VanDerWaalsContact C-N 3.31Å; L668-T670 PolarHBondContact O-N 2.74Å; T670-K676 WeakPolarHBondContact O-CE 3.49Å; T670-K676 PolarHBondContact O-NZ 3.48Å
671	N	95.7	Very high	90.3	Very high	83 Å²	83	51.9 Å²	51.9	44%	0.444	26%	0.258	S	S	.	.	H	α-helix	trans	-126.2	-19.1	179.3	-62.5	-80.5	0	0	0	114.6	Y662 H667 L668	Y662-N671 HydrophobicContact CE1-CB 4.48Å; H667-N671 PolarHBondContact CD2-ND2 3.08Å; H667-N671 VanDerWaalsContact O-CB 3.29Å; H667-N671 WeakPolarHBondContact O-CB 3.24Å; H667-N671 PolarHBondContact O-N 2.89Å; H667-N671 VanDerWaalsContact O-N 3.15Å; H667-N671 PolarHBondContact O-ND2 3.15Å; L668-N671 PolarHBondContact O-N 3.02Å
672	C	94.8	Very high	88.8	Confident	4 Å²	4	52.7 Å²	52.7	3%	0.027	26%	0.258	C	S	.	.			trans	-80.6	122.5	176	-175.8	0	0	0	0	111.4	Y662 L668 I674 F675 K676	Y662-C672 HydrophobicContact CE1-CB 4.35Å; L668-C672 HydrophobicContact CD1-CB 3.93Å; L668-C672 WeakPolarHBondContact O-CB 3Å; L668-C672 PolarHBondContact O-N 3.26Å; C672-I674 PolarHBondContact O-N 3.03Å; C672-F675 HydrophobicContact CB-CD2 3.91Å; C672-F675 PolarHBondContact O-N 2.86Å; C672-F675 VanDerWaalsContact O-N 3.16Å; C672-K676 PolarHBondContact O-N 2.87Å
673	D	92.3	Very high	88.3	Confident	84 Å²	84	53.8 Å²	53.8	45%	0.449	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-27.4	178	-100.7	-3.6	0	0	0	113.3	F675 K676 K677	D673-F675 VanDerWaalsContact C-N 3.29Å; D673-F675 PolarHBondContact O-N 3.46Å; D673-K676 PolarHBondContact O-N 3.38Å; D673-K677 HydrophobicContact CB-CD 4.21Å; D673-K677 VanDerWaalsContact CG-CE 3.49Å; D673-K677 VanDerWaalsContact CG-NZ 3.26Å; D673-K677 VanDerWaalsContact O-CB 3.3Å; D673-K677 WeakPolarHBondContact O-CB 3.19Å; D673-K677 PolarHBondContact O-N 3.14Å; D673-K677 VanDerWaalsContact OD1-CE 3.3Å; D673-K677 WeakPolarHBondContact OD1-CE 3.26Å; D673-K677 IonicContact OD1-NZ 2.68Å; D673-K677 PolarHBondContact OD1-NZ 3.24Å; D673-K677 WeakPolarHBondContact OD2-CE 3.22Å; D673-K677 IonicContact OD2-NZ 2.67Å; D673-K677 PolarHBondContact OD2-NZ 3.3Å
674	I	94.2	Very high	87.9	Confident	12 Å²	12	48.3 Å²	48.3	6%	0.062	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-38.6	178.9	-51.6	176.5	0	0	0	110.6	L452 L456 Q648 H651 L652 I655 C672 F678	L452-I674 HydrophobicContact CD1-CG2 4.21Å; L456-I674 HydrophobicContact CD2-CG2 4.42Å; Q648-I674 HydrophobicContact CB-CG2 4.26Å; H651-I674 HydrophobicContact CB-CD1 4.04Å; L652-I674 HydrophobicContact CD1-CG2 4.36Å; L652-I674 HydrophobicContact CD2-CB 4.47Å; L652-I674 HydrophobicContact CD2-CD1 3.83Å; L652-I674 HydrophobicContact CD2-CG2 4.48Å; L652-I674 HydrophobicContact CG-CD1 3.64Å; L652-I674 HydrophobicContact CG-CG2 4.31Å; I655-I674 HydrophobicContact CD1-CD1 4.18Å; C672-I674 PolarHBondContact O-N 3.03Å; I674-F678 WeakPolarHBondContact O-CB 3.33Å; I674-F678 PolarHBondContact O-N 3.44Å
675	F	93.9	Very high	87.3	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.022	25%	0.25	C	C	.	.	H	α-helix	trans	-73.7	-46.4	174.7	-74.3	-99.2	0	0	0	111.4	L456 I460 W536 F607 L652 L668 V669 C672 D673 K677	L456-F675 HydrophobicContact CB-CE1 4.3Å; L456-F675 HydrophobicContact CD2-CB 4.32Å; L456-F675 HydrophobicContact CD2-CD1 3.37Å; L456-F675 HydrophobicContact CD2-CD2 3.77Å; L456-F675 HydrophobicContact CD2-CE1 3.46Å; L456-F675 VanDerWaalsContact CD2-CE1 3.46Å; L456-F675 HydrophobicContact CD2-CE2 3.86Å; L456-F675 HydrophobicContact CD2-CG 3.54Å; L456-F675 HydrophobicContact CD2-CZ 3.72Å; L456-F675 HydrophobicContact CG-CE1 4.44Å; I460-F675 HydrophobicContact CD1-CD1 4.27Å; I460-F675 HydrophobicContact CG1-CD1 3.93Å; I460-F675 HydrophobicContact CG1-CE1 4.13Å; W536-F675 HydrophobicContact CZ3-CB 4.09Å; F607-F675 HydrophobicContact CE2-CZ 4.33Å; F607-F675 HydrophobicContact CZ-CE2 4.46Å; F607-F675 AromaticContact CZ-CZ 3.88Å; F607-F675 HydrophobicContact CZ-CZ 3.88Å; L652-F675 HydrophobicContact CD2-CE2 3.99Å; L668-F675 HydrophobicContact CD1-CE2 4.29Å; L668-F675 HydrophobicContact CD2-CE2 4.07Å; L668-F675 HydrophobicContact CD2-CZ 4.23Å; L668-F675 HydrophobicContact CG-CE2 3.82Å; L668-F675 HydrophobicContact CG-CZ 4.34Å; V669-F675 HydrophobicContact CB-CD1 4.22Å; V669-F675 HydrophobicContact CB-CG 4.48Å; V669-F675 HydrophobicContact CG1-CD1 4.13Å; V669-F675 HydrophobicContact CG2-CD1 3.76Å; V669-F675 HydrophobicContact CG2-CE1 3.65Å; V669-F675 HydrophobicContact CG2-CG 4.37Å; V669-F675 HydrophobicContact CG2-CZ 4.18Å; C672-F675 HydrophobicContact CB-CD2 3.91Å; C672-F675 PolarHBondContact O-N 2.86Å; C672-F675 VanDerWaalsContact O-N 3.16Å; D673-F675 VanDerWaalsContact C-N 3.29Å; D673-F675 PolarHBondContact O-N 3.46Å; F675-K677 PolarHBondContact O-N 3.05Å
676	K	85.7	Confident	86.7	Confident	99 Å²	99	53.1 Å²	53.1	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-65.8	-36	-176.3	-70.2	179.1	176.9	170	0	114.3	W536 T670 C672 D673	W536-K676 HydrophobicContact CH2-CG 4.42Å; T670-K676 WeakPolarHBondContact O-CE 3.49Å; T670-K676 PolarHBondContact O-NZ 3.48Å; C672-K676 PolarHBondContact O-N 2.87Å; D673-K676 PolarHBondContact O-N 3.38Å
677	K	82	Confident	85.9	Confident	109 Å²	109	52.1 Å²	52.1	47%	0.474	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	4.9	-171.3	-60.2	174.6	-179.7	170.7	0	112.6	D673 F675 S679 N680 L681	D673-K677 HydrophobicContact CB-CD 4.21Å; D673-K677 VanDerWaalsContact CG-CE 3.49Å; D673-K677 VanDerWaalsContact CG-NZ 3.26Å; D673-K677 VanDerWaalsContact O-CB 3.3Å; D673-K677 WeakPolarHBondContact O-CB 3.19Å; D673-K677 PolarHBondContact O-N 3.14Å; D673-K677 VanDerWaalsContact OD1-CE 3.3Å; D673-K677 WeakPolarHBondContact OD1-CE 3.26Å; D673-K677 IonicContact OD1-NZ 2.68Å; D673-K677 PolarHBondContact OD1-NZ 3.24Å; D673-K677 WeakPolarHBondContact OD2-CE 3.22Å; D673-K677 IonicContact OD2-NZ 2.67Å; D673-K677 PolarHBondContact OD2-NZ 3.3Å; F675-K677 PolarHBondContact O-N 3.05Å; K677-S679 VanDerWaalsContact C-N 3.32Å; K677-S679 PolarHBondContact O-N 2.93Å; K677-N680 CarbonylContact O-C 3.57Å; K677-N680 WeakPolarHBondContact O-CA 3.44Å; K677-N680 WeakPolarHBondContact O-CB 3.29Å; K677-N680 PolarHBondContact O-N 3.45Å; K677-L681 PolarHBondContact O-N 3.25Å
678	F	79.8	Confident	85.2	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.009	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.9	-45	-177.6	-167.6	-124.9	0	0	0	112.7	L452 L456 I538 P539 F541 I674 N680 L681 F682	L452-F678 HydrophobicContact CD2-CD2 4.37Å; L452-F678 HydrophobicContact CD2-CE2 3.64Å; L452-F678 HydrophobicContact CG-CD2 4.48Å; L452-F678 HydrophobicContact CG-CE2 3.68Å; L452-F678 HydrophobicContact CG-CZ 4.27Å; L456-F678 HydrophobicContact CD1-CB 3.91Å; L456-F678 HydrophobicContact CD1-CD1 3.33Å; L456-F678 HydrophobicContact CD1-CD2 3.29Å; L456-F678 HydrophobicContact CD1-CE1 3.49Å; L456-F678 VanDerWaalsContact CD1-CE1 3.49Å; L456-F678 HydrophobicContact CD1-CE2 3.45Å; L456-F678 VanDerWaalsContact CD1-CE2 3.45Å; L456-F678 HydrophobicContact CD1-CG 3.22Å; L456-F678 HydrophobicContact CD1-CZ 3.54Å; I538-F678 HydrophobicContact CD1-CD1 4.13Å; I538-F678 HydrophobicContact CG2-CD1 4.19Å; I538-F678 HydrophobicContact CG2-CE1 3.88Å; P539-F678 HydrophobicContact CG-CD1 4.14Å; P539-F678 HydrophobicContact CG-CE1 3.71Å; F541-F678 HydrophobicContact CE2-CE1 4.36Å; F541-F678 HydrophobicContact CE2-CZ 4.02Å; I674-F678 WeakPolarHBondContact O-CB 3.33Å; I674-F678 PolarHBondContact O-N 3.44Å; F678-N680 PolarHBondContact O-N 3.1Å; F678-L681 HydrophobicContact CD2-CD2 4.22Å; F678-L681 HydrophobicContact CE2-CD2 4.47Å; F678-L681 WeakPolarHBondContact O-CB 3.27Å; F678-L681 PolarHBondContact O-N 3.5Å; F678-L681 VanDerWaalsContact O-N 3.12Å; F678-F682 AromaticContact CD1-CE2 3.89Å; F678-F682 HydrophobicContact CD1-CE2 3.89Å; F678-F682 AromaticContact CD2-CE2 3.66Å; F678-F682 HydrophobicContact CD2-CE2 3.66Å; F678-F682 HydrophobicContact CD2-CZ 4.03Å; F678-F682 AromaticContact CE1-CE2 3.66Å; F678-F682 HydrophobicContact CE1-CE2 3.66Å; F678-F682 HydrophobicContact CE1-CZ 4.13Å; F678-F682 AromaticContact CE2-CE2 3.4Å; F678-F682 HydrophobicContact CE2-CE2 3.4Å; F678-F682 AromaticContact CE2-CZ 3.35Å; F678-F682 HydrophobicContact CE2-CZ 3.35Å; F678-F682 AromaticContact CG-CE2 3.91Å; F678-F682 HydrophobicContact CG-CE2 3.91Å; F678-F682 AromaticContact CZ-CE2 3.41Å; F678-F682 HydrophobicContact CZ-CE2 3.41Å; F678-F682 VanDerWaalsContact CZ-CE2 3.41Å; F678-F682 AromaticContact CZ-CZ 3.42Å; F678-F682 HydrophobicContact CZ-CZ 3.42Å; F678-F682 VanDerWaalsContact CZ-CZ 3.42Å; F678-F682 WeakPolarHBondContact O-CD2 3.5Å; F678-F682 WeakPolarHBondContact O-CE2 3.44Å
679	S	69.7	Low	84.2	Confident	62 Å²	62	55.1 Å²	55.1	43%	0.434	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.2	-19.9	176.8	56.1	0	0	0	0	114.2	K677	K677-S679 VanDerWaalsContact C-N 3.32Å; K677-S679 PolarHBondContact O-N 2.93Å
680	N	71.2	Confident	83.2	Confident	127 Å²	127	59.4 Å²	59.4	68%	0.679	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-98.9	1.4	-179.6	-52.8	-3.7	0	0	0	111.6	K677 F678	K677-N680 CarbonylContact O-C 3.57Å; K677-N680 WeakPolarHBondContact O-CA 3.44Å; K677-N680 WeakPolarHBondContact O-CB 3.29Å; K677-N680 PolarHBondContact O-N 3.45Å; F678-N680 PolarHBondContact O-N 3.1Å
681	L	63.3	Low	82.2	Confident	58 Å²	58	61.8 Å²	61.8	30%	0.304	31%	0.313	S	S	.	.			trans	-87.2	-12.8	177	-162.5	70.1	0	0	0	112.1	V644 Q648 K677 F678	V644-L681 HydrophobicContact CG1-CD1 3.67Å; V644-L681 HydrophobicContact CG1-CD2 4.01Å; V644-L681 HydrophobicContact CG1-CG 3.92Å; Q648-L681 HydrophobicContact CG-CD2 4.14Å; K677-L681 PolarHBondContact O-N 3.25Å; F678-L681 HydrophobicContact CD2-CD2 4.22Å; F678-L681 HydrophobicContact CE2-CD2 4.47Å; F678-L681 WeakPolarHBondContact O-CB 3.27Å; F678-L681 PolarHBondContact O-N 3.5Å; F678-L681 VanDerWaalsContact O-N 3.12Å
682	F	63.8	Low	81	Confident	96 Å²	96	59.8 Å²	59.8	42%	0.421	30%	0.301	S	S	.	.			trans	-120.7	0	-178.2	-49.6	-74.6	0	0	0	109.8	L517 P539 F541 L641 F678	L517-F682 HydrophobicContact CD1-CB 4.25Å; L517-F682 HydrophobicContact CD1-CD1 3.86Å; L517-F682 HydrophobicContact CD1-CG 4.19Å; P539-F682 HydrophobicContact CG-CD2 4.05Å; P539-F682 HydrophobicContact CG-CE2 3.96Å; F541-F682 HydrophobicContact CE1-CE1 4.16Å; F541-F682 HydrophobicContact CE2-CE1 4.04Å; F541-F682 HydrophobicContact CE2-CE2 4.16Å; F541-F682 AromaticContact CE2-CZ 3.69Å; F541-F682 HydrophobicContact CE2-CZ 3.69Å; F541-F682 AromaticContact CZ-CD1 3.84Å; F541-F682 HydrophobicContact CZ-CD1 3.84Å; F541-F682 AromaticContact CZ-CE1 3.31Å; F541-F682 HydrophobicContact CZ-CE1 3.31Å; F541-F682 HydrophobicContact CZ-CE2 4.09Å; F541-F682 HydrophobicContact CZ-CG 4.44Å; F541-F682 AromaticContact CZ-CZ 3.45Å; F541-F682 HydrophobicContact CZ-CZ 3.45Å; F541-F682 VanDerWaalsContact CZ-CZ 3.45Å; L641-F682 HydrophobicContact CD1-CD1 3.51Å; L641-F682 HydrophobicContact CD1-CE1 3.59Å; L641-F682 HydrophobicContact CD2-CD1 3.74Å; L641-F682 HydrophobicContact CD2-CE1 3.86Å; L641-F682 HydrophobicContact CG-CD1 4.14Å; L641-F682 HydrophobicContact CG-CE1 4.03Å; F678-F682 AromaticContact CD1-CE2 3.89Å; F678-F682 HydrophobicContact CD1-CE2 3.89Å; F678-F682 AromaticContact CD2-CE2 3.66Å; F678-F682 HydrophobicContact CD2-CE2 3.66Å; F678-F682 HydrophobicContact CD2-CZ 4.03Å; F678-F682 AromaticContact CE1-CE2 3.66Å; F678-F682 HydrophobicContact CE1-CE2 3.66Å; F678-F682 HydrophobicContact CE1-CZ 4.13Å; F678-F682 AromaticContact CE2-CE2 3.4Å; F678-F682 HydrophobicContact CE2-CE2 3.4Å; F678-F682 AromaticContact CE2-CZ 3.35Å; F678-F682 HydrophobicContact CE2-CZ 3.35Å; F678-F682 AromaticContact CG-CE2 3.91Å; F678-F682 HydrophobicContact CG-CE2 3.91Å; F678-F682 AromaticContact CZ-CE2 3.41Å; F678-F682 HydrophobicContact CZ-CE2 3.41Å; F678-F682 VanDerWaalsContact CZ-CE2 3.41Å; F678-F682 AromaticContact CZ-CZ 3.42Å; F678-F682 HydrophobicContact CZ-CZ 3.42Å; F678-F682 VanDerWaalsContact CZ-CZ 3.42Å; F678-F682 WeakPolarHBondContact O-CD2 3.5Å; F678-F682 WeakPolarHBondContact O-CE2 3.44Å

Retrieved 682 of 682 residues in 1031.7 ms (Link to these results)

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