A0A087YMV2_POEFO Loading...

Leucine rich repeats and calponin homology domain containing 1

AlphaFold DB , UniProt , Accession A0A087YMV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 693 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	35.4	Very low	35.3	Very low	238 Å²	238	144.2 Å²	144.2	100%	1.172	85%	0.846	S	S	*	*				0	110.8	0	-72.2	167.8	173.7	0	0	105.8
2	A	34.1	Very low	35.4	Very low	84 Å²	84	142.9 Å²	142.9	69%	0.694	85%	0.846	S	S	*	*				74.6	99.6	92.1	0	0	0	0	0	110
3	T	35.5	Very low	35	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	85%	0.853	S	S	*	*				56.7	126.6	90.5	61.6	0	0	0	0	112.1
4	L	33.3	Very low	34.6	Very low	173 Å²	173	142.1 Å²	142.1	91%	0.906	85%	0.847	S	S	*	*				-147.8	170.6	55.2	-69.8	147.5	0	0	0	113.1
5	G	32.7	Very low	34.2	Very low	68 Å²	68	144.6 Å²	144.6	70%	0.701	85%	0.847	S	S	*	*			trans	-126.3	-146.5	163.4	0	0	0	0	0	110.1
6	P	55.2	Low	33.9	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	85%	0.848	S	S	*	*			cis	-141.4	-171.1	-11.6	43.2	-24.7	0	0	0	114.8
7	E	32.3	Very low	33.5	Very low	188 Å²	188	142.1 Å²	142.1	88%	0.879	85%	0.848	S	S	*	*			trans	58.9	122.6	149.9	-77.1	177.4	167.8	0	0	124.2
8	S	30.1	Very low	33.1	Very low	127 Å²	127	140.7 Å²	140.7	89%	0.888	85%	0.846	S	S	*	*				-155.9	161.3	103.4	61.8	0	0	0	0	110.1
9	A	32.7	Very low	33.8	Very low	101 Å²	101	139.5 Å²	139.5	84%	0.835	84%	0.842	S	S	*	*			trans	-133.6	156.2	-170	0	0	0	0	0	114.5
10	R	28.1	Very low	34	Very low	243 Å²	243	138.2 Å²	138.2	92%	0.917	84%	0.837	S	S	*	*			trans	-140.6	148.7	168.1	-81.5	-173.9	172.3	-174.5	-2.3	110.4
11	P	39	Very low	33.6	Very low	123 Å²	123	137 Å²	137	80%	0.799	83%	0.834	S	S	*	*			trans	-93.8	158.6	-178.3	37.1	-35.7	0	0	0	114
12	P	36.6	Very low	33.5	Very low	129 Å²	129	133.3 Å²	133.3	84%	0.838	82%	0.819	S	S	*	*			trans	-107.4	-178.6	165.3	39	-30.9	0	0	0	113.5
13	L	29.3	Very low	33.3	Very low	181 Å²	181	138.5 Å²	138.5	95%	0.948	83%	0.829	S	S	*	*			trans	-99.8	171.2	-165.3	-72.8	136.6	0	0	0	115.2
14	A	29.9	Very low	33.6	Very low	93 Å²	93	136.9 Å²	136.9	77%	0.769	82%	0.821	S	S	*	*			trans	-72.1	167.1	-179	0	0	0	0	0	115.4
15	Q	28	Very low	34	Very low	180 Å²	180	137.6 Å²	137.6	84%	0.841	82%	0.82	S	S	*	*				-168.6	152.8	125.1	-108	-177.2	23.5	0	0	115.3
16	L	29.5	Very low	34	Very low	164 Å²	164	141.3 Å²	141.3	86%	0.859	83%	0.828	S	S	*	*			trans	60.8	132.9	159.2	-90.5	74.8	0	0	0	122.5
17	G	27	Very low	32.8	Very low	82 Å²	82	139 Å²	139	85%	0.845	83%	0.825	S	S	*	*			trans	179.5	129.5	161.9	0	0	0	0	0	109.4
18	S	26.8	Very low	33.3	Very low	117 Å²	117	137 Å²	137	82%	0.818	83%	0.83	S	S	*	*			trans	-124.5	173.8	-172.6	67.9	0	0	0	0	111.8
19	P	47	Very low	33.9	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	82%	0.818	S	S	*	*			trans	-83.5	173.2	-139.4	36.2	-41.6	0	0	0	115.8
20	P	36.8	Very low	34.4	Very low	113 Å²	113	137.8 Å²	137.8	73%	0.734	82%	0.821	S	S	*	*				-148.5	170.6	108.9	39.9	-25.3	0	0	0	117.8
21	S	25.9	Very low	34.9	Very low	113 Å²	113	132.4 Å²	132.4	79%	0.79	81%	0.81	S	S	*	*			trans	74.4	121.2	147.1	57.9	0	0	0	0	122.4
22	N	32.7	Very low	35.1	Very low	160 Å²	160	129.9 Å²	129.9	86%	0.856	79%	0.794	S	S	*	*			trans	-70	143.6	152.2	-69.1	-41.9	0	0	0	111
23	Q	30	Very low	35.8	Very low	193 Å²	193	129 Å²	129	90%	0.902	79%	0.788	S	S	*	*				-175.4	170.8	127.7	-101.5	-156.9	17.8	0	0	111.8
24	P	41.9	Very low	37.1	Very low	94 Å²	94	125.8 Å²	125.8	61%	0.61	77%	0.772	S	S	*	*			trans	-114.7	-176.3	-132.2	44.1	-39.1	0	0	0	116.6
25	H	42.9	Very low	38.7	Very low	188 Å²	188	130.4 Å²	130.4	87%	0.87	77%	0.769	S	S	*	*			trans	42.8	96.6	157.6	-85.6	-65.5	0	0	0	118
26	V	32.9	Very low	41.2	Very low	146 Å²	146	123.2 Å²	123.2	89%	0.885	74%	0.743	S	S	*	*			trans	-109.6	138.8	154.5	-177.7	0	0	0	0	108.9
27	G	29.8	Very low	43.8	Very low	66 Å²	66	116.4 Å²	116.4	68%	0.68	71%	0.708	S	S	*	*			trans	-70	137.3	-165.6	0	0	0	0	0	114.9	A29	G27-A29 PolarHBondContact O-N 2.8Å
28	C	42.3	Very low	46.6	Very low	145 Å²	145	115.1 Å²	115.1	98%	0.98	68%	0.68	S	S	*	*			trans	-76.2	89	172	-170.4	0	0	0	0	110.4
29	A	42	Very low	49.5	Very low	76 Å²	76	116.8 Å²	116.8	63%	0.628	67%	0.668	S	S	*	*			trans	-127.8	121.9	176.9	0	0	0	0	0	111.3	G27 L31	G27-A29 PolarHBondContact O-N 2.8Å; A29-L31 PolarHBondContact O-N 2.92Å
30	N	43.1	Very low	51.4	Low	168 Å²	168	111.5 Å²	111.5	90%	0.898	63%	0.634	S	S	*	*			trans	61.3	40.7	159.7	-56	-19.4	0	0	0	118.3
31	L	40.4	Very low	53.9	Low	130 Å²	130	106.1 Å²	106.1	68%	0.681	60%	0.599	S	S	*	*			trans	-86	144.3	148.2	-78	170.6	0	0	0	109.8	A29	A29-L31 PolarHBondContact O-N 2.92Å
32	P	41.9	Very low	56.9	Low	71 Å²	71	106.7 Å²	106.7	46%	0.461	59%	0.59	S	S	.	*			trans	-64.1	137.4	175.7	27	-33.3	0	0	0	109.7	N34 R35	P32-N34 PolarHBondContact O-N 2.97Å; P32-R35 HydrophobicContact CG-CB 4.19Å; P32-R35 HydrophobicContact CG-CG 4.13Å; P32-R35 PolarHBondContact O-N 3.24Å
33	P	51.2	Low	59.5	Low	111 Å²	111	103.4 Å²	103.4	72%	0.721	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-34.9	-162.1	18.5	-32	0	0	0	113.9	R35 L37	P33-R35 PolarHBondContact O-N 3.22Å; P33-L37 WeakPolarHBondContact O-CB 3.39Å; P33-L37 PolarHBondContact O-N 2.86Å
34	N	57.4	Low	62.3	Low	113 Å²	113	94.2 Å²	94.2	60%	0.604	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-30.6	179.8	-61	13.5	0	0	0	113	P32 L37 E38	P32-N34 PolarHBondContact O-N 2.97Å; N34-L37 WeakPolarHBondContact O-CB 3.48Å; N34-L37 PolarHBondContact O-N 3.07Å; N34-L37 VanDerWaalsContact O-N 3.17Å; N34-E38 WeakPolarHBondContact O-CG 3.46Å; N34-E38 PolarHBondContact O-N 3.43Å
35	R	64.1	Low	64.6	Low	189 Å²	189	91.7 Å²	91.7	71%	0.713	51%	0.513	S	S	*	.	H	α-helix	trans	-71.5	-33.6	-179.7	-80.6	-169.6	173	-175.2	-2.6	113	P32 P33 L37 R39	P32-R35 HydrophobicContact CG-CB 4.19Å; P32-R35 HydrophobicContact CG-CG 4.13Å; P32-R35 PolarHBondContact O-N 3.24Å; P33-R35 PolarHBondContact O-N 3.22Å; R35-L37 PolarHBondContact O-N 3.44Å; R35-R39 VanDerWaalsContact O-CB 3.28Å; R35-R39 WeakPolarHBondContact O-CB 3.39Å; R35-R39 PolarHBondContact O-N 3.03Å
36	G	78.6	Confident	66.7	Low	29 Å²	29	86.9 Å²	86.9	30%	0.299	51%	0.506	S	S	.	.	H	α-helix	trans	-82.3	4.4	171.6	0	0	0	0	0	114.2	R55	G36-R55 PolarHBondContact O-NE 2.85Å; G36-R55 VanDerWaalsContact O-NE 3.17Å; G36-R55 PolarHBondContact O-NH2 3.23Å
37	L	84.9	Confident	69.4	Low	21 Å²	21	83.3 Å²	83.3	11%	0.11	49%	0.487	C	S	.	.	H	α-helix	trans	-105.2	-58	176.1	-175.2	71	0	0	0	109.7	P33 N34 R35 R39 A40 L41 L52 L57 P61	P33-L37 WeakPolarHBondContact O-CB 3.39Å; P33-L37 PolarHBondContact O-N 2.86Å; N34-L37 WeakPolarHBondContact O-CB 3.48Å; N34-L37 PolarHBondContact O-N 3.07Å; N34-L37 VanDerWaalsContact O-N 3.17Å; R35-L37 PolarHBondContact O-N 3.44Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.91Å; L37-A40 WeakPolarHBondContact O-CB 3.48Å; L37-A40 PolarHBondContact O-N 3.45Å; L37-L41 PolarHBondContact O-N 3.19Å; L37-L41 VanDerWaalsContact O-N 3.11Å; L37-L52 HydrophobicContact CD1-CD2 3.77Å; L37-L57 HydrophobicContact CD1-CD2 4.49Å; L37-P61 HydrophobicContact CD1-CB 3.89Å; L37-P61 HydrophobicContact CD1-CG 4.06Å; L37-P61 HydrophobicContact CD2-CB 3.82Å; L37-P61 HydrophobicContact CG-CB 4.06Å
38	E	86.6	Confident	72.3	Confident	55 Å²	55	80.4 Å²	80.4	26%	0.257	46%	0.457	S	S	.	.	H	α-helix	trans	-56.1	-46.2	176.6	-63	-47.5	128.3	0	0	111.7	N34 A40 L41 E42 T63 H67	N34-E38 WeakPolarHBondContact O-CG 3.46Å; N34-E38 PolarHBondContact O-N 3.43Å; E38-A40 PolarHBondContact O-N 3.1Å; E38-L41 WeakPolarHBondContact O-CB 3.49Å; E38-L41 PolarHBondContact O-N 2.67Å; E38-E42 WeakPolarHBondContact O-CB 3.5Å; E38-E42 PolarHBondContact O-N 3.03Å; E38-T63 WeakPolarHBondContact OE1-CB 3.38Å; E38-T63 WeakPolarHBondContact OE1-CG2 3.45Å; E38-T63 PolarHBondContact OE1-OG1 3.38Å; E38-H67 IonicContact OE2-CD2 3.85Å; E38-H67 IonicContact OE2-CE1 3.37Å; E38-H67 IonicContact OE2-NE2 3.97Å; E38-H67 PolarHBondContact OE2-NE2 3.43Å
39	R	86.3	Confident	74.7	Confident	153 Å²	153	76.4 Å²	76.4	58%	0.577	43%	0.428	S	S	*	.	H	α-helix	trans	-58.5	-33.5	176	177.7	175	168.8	146.6	9.7	112.7	R35 L37 L41 E43	R35-R39 VanDerWaalsContact O-CB 3.28Å; R35-R39 WeakPolarHBondContact O-CB 3.39Å; R35-R39 PolarHBondContact O-N 3.03Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 2.91Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-E43 HydrophobicContact CG-CG 4.24Å; R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.69Å; R39-E43 PolarHBondContact NE-OE1 3.05Å; R39-E43 IonicContact NE-OE2 3.89Å; R39-E43 IonicContact NH2-OE1 3.53Å; R39-E43 PolarHBondContact NH2-OE1 3.04Å; R39-E43 VanDerWaalsContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CB 3.3Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.11Å
40	A	87.4	Confident	77.1	Confident	7 Å²	7	72.8 Å²	72.8	6%	0.058	40%	0.398	C	S	.	.	H	α-helix	trans	-81.1	-15.8	179.7	0	0	0	0	0	113.2	L37 E38 A44 L52	L37-A40 WeakPolarHBondContact O-CB 3.48Å; L37-A40 PolarHBondContact O-N 3.45Å; E38-A40 PolarHBondContact O-N 3.1Å; A40-A44 WeakPolarHBondContact O-CB 3.4Å; A40-A44 PolarHBondContact O-N 3.25Å; A40-L52 HydrophobicContact CB-CD2 4.28Å
41	L	89.7	Confident	79.5	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-84.3	-42.1	169.3	-63.3	165.3	0	0	0	110	L37 E38 R39 A44 A45 L50 P61 A64 H67 L69	L37-L41 PolarHBondContact O-N 3.19Å; L37-L41 VanDerWaalsContact O-N 3.11Å; E38-L41 WeakPolarHBondContact O-CB 3.49Å; E38-L41 PolarHBondContact O-N 2.67Å; R39-L41 VanDerWaalsContact C-N 3.34Å; L41-A44 WeakPolarHBondContact O-CB 3.4Å; L41-A44 PolarHBondContact O-N 3.17Å; L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 3.21Å; L41-L50 HydrophobicContact CD2-CD1 3.82Å; L41-P61 HydrophobicContact CD1-CB 4.49Å; L41-P61 HydrophobicContact CD1-CG 4.43Å; L41-P61 HydrophobicContact CD2-CG 4.31Å; L41-A64 HydrophobicContact CD1-CB 4.26Å; L41-A64 HydrophobicContact CD2-CB 3.68Å; L41-H67 HydrophobicContact CB-CB 4.45Å; L41-L69 HydrophobicContact CD2-CD1 4.11Å
42	E	88.5	Confident	81.9	Confident	126 Å²	126	62.3 Å²	62.3	59%	0.589	34%	0.343	S	S	*	.	H	α-helix	trans	-62.7	-42.5	172.9	-175.4	178.2	-156.1	0	0	112.2	E38 A44 A46	E38-E42 WeakPolarHBondContact O-CB 3.5Å; E38-E42 PolarHBondContact O-N 3.03Å; E42-A44 VanDerWaalsContact C-N 3.35Å; E42-A46 PolarHBondContact O-N 3.39Å
43	E	87.9	Confident	84.3	Confident	91 Å²	91	59.9 Å²	59.9	43%	0.425	33%	0.328	S	S	.	.	H	α-helix	trans	-67.9	-32.3	172.9	-75.9	171.5	161.5	0	0	112.1	R39 A46 S47	R39-E43 HydrophobicContact CG-CG 4.24Å; R39-E43 IonicContact CZ-OE1 2.72Å; R39-E43 IonicContact NE-OE1 3.69Å; R39-E43 PolarHBondContact NE-OE1 3.05Å; R39-E43 IonicContact NE-OE2 3.89Å; R39-E43 IonicContact NH2-OE1 3.53Å; R39-E43 PolarHBondContact NH2-OE1 3.04Å; R39-E43 VanDerWaalsContact O-CB 3.23Å; R39-E43 WeakPolarHBondContact O-CB 3.3Å; R39-E43 WeakPolarHBondContact O-CG 3.32Å; R39-E43 PolarHBondContact O-N 3.11Å; E43-A46 PolarHBondContact O-N 3.2Å; E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 3.09Å; E43-S47 PolarHBondContact O-OG 3.2Å
44	A	89.2	Confident	86.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-48.3	175.6	0	0	0	0	0	111.5	A40 L41 E42 A46 S47 G48 L50 L69	A40-A44 WeakPolarHBondContact O-CB 3.4Å; A40-A44 PolarHBondContact O-N 3.25Å; L41-A44 WeakPolarHBondContact O-CB 3.4Å; L41-A44 PolarHBondContact O-N 3.17Å; E42-A44 VanDerWaalsContact C-N 3.35Å; A44-A46 PolarHBondContact O-N 3Å; A44-S47 PolarHBondContact O-N 2.94Å; A44-G48 PolarHBondContact O-N 3.09Å; A44-L50 HydrophobicContact CB-CB 3.98Å; A44-L50 HydrophobicContact CB-CD1 3.72Å; A44-L50 HydrophobicContact CB-CG 4.48Å; A44-L69 HydrophobicContact CB-CD2 3.71Å
45	A	88.9	Confident	87.6	Confident	40 Å²	40	57 Å²	57	33%	0.331	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.8	175.5	0	0	0	0	0	114.6	L41 D68 L69	L41-A45 WeakPolarHBondContact O-CB 3.45Å; L41-A45 PolarHBondContact O-N 3.21Å; A45-D68 WeakPolarHBondContact CA-O 3.32Å; A45-D68 WeakPolarHBondContact CB-O 3.34Å; A45-L69 HydrophobicContact CB-CD2 4.24Å
46	A	87.4	Confident	88.8	Confident	87 Å²	87	54.9 Å²	54.9	72%	0.719	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-1.4	176.9	0	0	0	0	0	113.8	E42 E43 A44	E42-A46 PolarHBondContact O-N 3.39Å; E43-A46 PolarHBondContact O-N 3.2Å; A44-A46 PolarHBondContact O-N 3Å
47	S	90.3	Very high	89.3	Confident	72 Å²	72	55 Å²	55	50%	0.503	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.3	-10.3	-173	67.4	0	0	0	0	116	E43 A44 V49	E43-S47 WeakPolarHBondContact O-CB 3.49Å; E43-S47 PolarHBondContact O-N 3.09Å; E43-S47 PolarHBondContact O-OG 3.2Å; A44-S47 PolarHBondContact O-N 2.94Å; S47-V49 PolarHBondContact O-N 3.44Å; S47-V49 PolarHBondContact OG-N 3.15Å
48	G	89.8	Confident	89.5	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	32%	0.321	C	S	.	.	S	Bend	trans	69.3	11	-171.4	0	0	0	0	0	114.5	A44 T72 V73 E74	A44-G48 PolarHBondContact O-N 3.09Å; G48-T72 CarbonylContact O-C 3.57Å; G48-T72 WeakPolarHBondContact O-CA 3.36Å; G48-V73 PolarHBondContact O-N 3.11Å; G48-E74 PolarHBondContact O-N 3.22Å
49	V	92.9	Very high	89.7	Confident	62 Å²	62	64.3 Å²	64.3	38%	0.376	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103.9	-174.9	-177.1	0	0	0	0	112.3	S47 N51 E74	S47-V49 PolarHBondContact O-N 3.44Å; S47-V49 PolarHBondContact OG-N 3.15Å; V49-N51 PolarHBondContact O-N 3.37Å; V49-E74 CarbonylContact C-O 3.08Å; V49-E74 WeakPolarHBondContact CA-O 3.31Å; V49-E74 HydrophobicContact CG1-CB 4.33Å; V49-E74 HydrophobicContact CG2-CB 4.38Å
50	L	93.1	Very high	89.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	92.6	-178	-178.5	62.9	0	0	0	112.4	L41 A44 L52 F60 T72 E74 A75 D76 L92	L41-L50 HydrophobicContact CD2-CD1 3.82Å; A44-L50 HydrophobicContact CB-CB 3.98Å; A44-L50 HydrophobicContact CB-CD1 3.72Å; A44-L50 HydrophobicContact CB-CG 4.48Å; L50-L52 HydrophobicContact CD1-CD1 3.88Å; L50-L52 HydrophobicContact CD1-CD2 4.34Å; L50-L52 HydrophobicContact CD1-CG 3.77Å; L50-L52 HydrophobicContact CD2-CD1 4.14Å; L50-L52 HydrophobicContact CG-CD1 4.06Å; L50-L52 HydrophobicContact CG-CG 4.04Å; L50-F60 HydrophobicContact CD2-CE2 4.1Å; L50-F60 HydrophobicContact CD2-CZ 3.93Å; L50-T72 HydrophobicContact CB-CG2 3.76Å; L50-E74 PolarHBondContact N-O 3.35Å; L50-A75 HydrophobicContact CB-CB 4.25Å; L50-A75 HydrophobicContact CD2-CB 4.47Å; L50-A75 CarbonylContact O-C 3.55Å; L50-A75 WeakPolarHBondContact O-CA 3.42Å; L50-D76 PolarHBondContact O-N 3.47Å; L50-L92 HydrophobicContact CD2-CD1 4.4Å
51	N	92.4	Very high	89.7	Confident	77 Å²	77	57.7 Å²	57.7	41%	0.412	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	94.4	175.1	-170.4	-25.7	0	0	0	112.6	V49 S53 R55	V49-N51 PolarHBondContact O-N 3.37Å; N51-S53 WeakPolarHBondContact OD1-CB 3.48Å; N51-S53 PolarHBondContact OD1-N 2.88Å; N51-S53 PolarHBondContact OD1-OG 2.99Å; N51-R55 PolarHBondContact O-NH1 3.3Å; N51-R55 PolarHBondContact O-NH2 2.69Å
52	L	91.4	Very high	89.4	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.343	C	S	.	.			trans	-103.4	12.9	174.2	-68	-179.7	0	0	0	113.6	L37 A40 L50 R55 L57 F60 P61 D76 L77 N80	L37-L52 HydrophobicContact CD1-CD2 3.77Å; A40-L52 HydrophobicContact CB-CD2 4.28Å; L50-L52 HydrophobicContact CD1-CD1 3.88Å; L50-L52 HydrophobicContact CD1-CD2 4.34Å; L50-L52 HydrophobicContact CD1-CG 3.77Å; L50-L52 HydrophobicContact CD2-CD1 4.14Å; L50-L52 HydrophobicContact CG-CD1 4.06Å; L50-L52 HydrophobicContact CG-CG 4.04Å; L52-R55 VanDerWaalsContact CA-NH1 3.32Å; L52-L57 HydrophobicContact CB-CD1 4.2Å; L52-F60 HydrophobicContact CD1-CD2 4.43Å; L52-F60 HydrophobicContact CD1-CE2 3.86Å; L52-F60 HydrophobicContact CD1-CZ 4.35Å; L52-P61 HydrophobicContact CD1-CG 3.75Å; L52-D76 CarbonylContact C-O 3.59Å; L52-D76 WeakPolarHBondContact CA-O 3.41Å; L52-D76 PolarHBondContact N-O 2.93Å; L52-L77 HydrophobicContact CB-CD2 3.74Å; L52-L77 HydrophobicContact CB-CG 4.42Å; L52-L77 HydrophobicContact CD1-CD2 3.91Å; L52-L77 HydrophobicContact CG-CD2 4.46Å; L52-N80 PolarHBondContact O-ND2 3.36Å
53	S	92.6	Very high	89	Confident	21 Å²	21	62.8 Å²	62.8	15%	0.147	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	158.5	-177.9	73.1	0	0	0	0	114.3	N51 R55 D76 S78	N51-S53 WeakPolarHBondContact OD1-CB 3.48Å; N51-S53 PolarHBondContact OD1-N 2.88Å; N51-S53 PolarHBondContact OD1-OG 2.99Å; S53-R55 WeakPolarHBondContact O-CG 3.33Å; S53-R55 PolarHBondContact O-N 3.13Å; S53-R55 PolarHBondContact O-NH1 2.7Å; S53-D76 WeakPolarHBondContact CB-OD1 2.97Å; S53-D76 PolarHBondContact N-O 3.21Å; S53-S78 CarbonylContact C-O 3.43Å; S53-S78 WeakPolarHBondContact CA-O 3.46Å
54	C	90.4	Very high	88.7	Confident	73 Å²	73	58.8 Å²	58.8	49%	0.493	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.1	5.2	171.6	-54.7	0	0	0	0	117.3	K56 S78 K79	C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 3.05Å; C54-S78 PolarHBondContact N-O 3.22Å; C54-K79 WeakPolarHBondContact CA-O 3.36Å; C54-K79 VanDerWaalsContact SG-CD 3.51Å
55	R	88.2	Confident	88.3	Confident	89 Å²	89	63.2 Å²	63.2	34%	0.336	35%	0.348	S	S	.	.	S	Bend	trans	-84.2	1.8	-172	-76.7	168.7	-178	89.5	-24.3	115	G36 N51 L52 S53 L57 N80	G36-R55 PolarHBondContact O-NE 2.85Å; G36-R55 VanDerWaalsContact O-NE 3.17Å; G36-R55 PolarHBondContact O-NH2 3.23Å; N51-R55 PolarHBondContact O-NH1 3.3Å; N51-R55 PolarHBondContact O-NH2 2.69Å; L52-R55 VanDerWaalsContact CA-NH1 3.32Å; S53-R55 WeakPolarHBondContact O-CG 3.33Å; S53-R55 PolarHBondContact O-N 3.13Å; S53-R55 PolarHBondContact O-NH1 2.7Å; R55-L57 HydrophobicContact CB-CD1 4.13Å; R55-L57 HydrophobicContact CB-CD2 4.25Å; R55-L57 HydrophobicContact CB-CG 3.78Å; R55-L57 PolarHBondContact O-N 3.01Å; R55-N80 VanDerWaalsContact C-OD1 3.3Å; R55-N80 WeakPolarHBondContact CA-OD1 3.21Å; R55-N80 PolarHBondContact N-OD1 2.85Å
56	K	89.1	Confident	88	Confident	145 Å²	145	67.4 Å²	67.4	63%	0.63	37%	0.365	S	S	*	.			trans	59.7	24	-178.1	-53.1	170.5	-175	168.7	0	113.7	C54 N80	C54-K56 VanDerWaalsContact C-N 3.34Å; C54-K56 PolarHBondContact O-N 3.05Å; K56-N80 PolarHBondContact N-OD1 2.66Å
57	L	88.9	Confident	87.7	Confident	32 Å²	32	65.7 Å²	65.7	17%	0.168	34%	0.342	C	S	.	.			trans	-60.6	138.2	-177.6	-62.1	171.9	0	0	0	111.6	L37 L52 R55 N80 R81 L82	L37-L57 HydrophobicContact CD1-CD2 4.49Å; L52-L57 HydrophobicContact CB-CD1 4.2Å; R55-L57 HydrophobicContact CB-CD1 4.13Å; R55-L57 HydrophobicContact CB-CD2 4.25Å; R55-L57 HydrophobicContact CB-CG 3.78Å; R55-L57 PolarHBondContact O-N 3.01Å; L57-N80 HydrophobicContact CB-CB 4.25Å; L57-N80 PolarHBondContact N-OD1 3.21Å; L57-R81 CarbonylContact O-C 3.18Å; L57-R81 VanDerWaalsContact O-CA 3.23Å; L57-R81 WeakPolarHBondContact O-CA 3.26Å; L57-R81 WeakPolarHBondContact O-CB 3.41Å; L57-R81 PolarHBondContact O-N 3.41Å; L57-L82 HydrophobicContact CB-CD2 4.42Å; L57-L82 PolarHBondContact O-N 3.4Å
58	K	89.4	Confident	87.4	Confident	156 Å²	156	67.6 Å²	67.6	68%	0.678	35%	0.346	S	S	*	.	S	Bend	trans	-98	-35.5	173.3	-67	-175.1	178.7	-177	0	113.1
59	E	89.2	Confident	87.3	Confident	115 Å²	115	68 Å²	68	54%	0.537	35%	0.348	S	S	.	.	S	Bend	trans	-122.6	160	177.2	-69.8	167.4	-141.3	0	0	107.5	R62	E59-R62 IonicContact OE1-NH2 3.94Å; E59-R62 IonicContact OE2-CZ 3.46Å; E59-R62 IonicContact OE2-NE 2.61Å; E59-R62 PolarHBondContact OE2-NE 3.34Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 2.97Å
60	F	88.7	Confident	86.9	Confident	12 Å²	12	68.6 Å²	68.6	5%	0.053	35%	0.354	C	S	.	.			trans	-66.9	145.6	168.6	-166.9	-101	0	0	0	110	L50 L52 R62 A64 L77 P86 E88 V89	L50-F60 HydrophobicContact CD2-CE2 4.1Å; L50-F60 HydrophobicContact CD2-CZ 3.93Å; L52-F60 HydrophobicContact CD1-CD2 4.43Å; L52-F60 HydrophobicContact CD1-CE2 3.86Å; L52-F60 HydrophobicContact CD1-CZ 4.35Å; F60-R62 PolarHBondContact O-N 3.34Å; F60-R62 VanDerWaalsContact O-N 3.13Å; F60-A64 HydrophobicContact CD1-CB 4.23Å; F60-A64 HydrophobicContact CE1-CB 3.48Å; F60-A64 VanDerWaalsContact CE1-CB 3.48Å; F60-A64 HydrophobicContact CZ-CB 4.2Å; F60-L77 HydrophobicContact CD2-CD1 4.39Å; F60-L77 HydrophobicContact CD2-CD2 3.99Å; F60-L77 HydrophobicContact CE2-CD1 4.2Å; F60-L77 HydrophobicContact CE2-CD2 4.07Å; F60-P86 HydrophobicContact CB-CB 3.59Å; F60-P86 HydrophobicContact CB-CG 3.96Å; F60-P86 HydrophobicContact CD2-CB 4.42Å; F60-P86 HydrophobicContact CD2-CG 3.96Å; F60-P86 HydrophobicContact CG-CB 4.18Å; F60-P86 HydrophobicContact CG-CG 4.23Å; F60-E88 HydrophobicContact CD1-CB 3.37Å; F60-E88 HydrophobicContact CD1-CG 3.81Å; F60-E88 HydrophobicContact CE1-CB 3.67Å; F60-E88 HydrophobicContact CE1-CG 4.43Å; F60-E88 HydrophobicContact CG-CB 4.06Å; F60-V89 HydrophobicContact CD2-CG2 3.68Å; F60-V89 HydrophobicContact CE2-CG2 3.36Å; F60-V89 HydrophobicContact CZ-CG2 3.94Å
61	P	86.3	Confident	86.8	Confident	10 Å²	10	72 Å²	72	7%	0.065	37%	0.372	C	S	.	.			trans	-66.8	114.1	-176.8	27.3	-36.8	0	0	0	111.8	L37 L41 L52 T63 A64	L37-P61 HydrophobicContact CD1-CB 3.89Å; L37-P61 HydrophobicContact CD1-CG 4.06Å; L37-P61 HydrophobicContact CD2-CB 3.82Å; L37-P61 HydrophobicContact CG-CB 4.06Å; L41-P61 HydrophobicContact CD1-CB 4.49Å; L41-P61 HydrophobicContact CD1-CG 4.43Å; L41-P61 HydrophobicContact CD2-CG 4.31Å; L52-P61 HydrophobicContact CD1-CG 3.75Å; P61-T63 PolarHBondContact O-N 2.83Å; P61-T63 VanDerWaalsContact O-N 3.08Å; P61-A64 HydrophobicContact CG-CB 4.32Å; P61-A64 WeakPolarHBondContact O-CB 3.41Å; P61-A64 PolarHBondContact O-N 3.18Å
62	R	82.9	Confident	86.8	Confident	186 Å²	186	68.3 Å²	68.3	70%	0.702	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60	-21.3	179.4	-57.5	-176.9	-166.2	-171.8	2.6	113.6	E59 F60 A64 A65	E59-R62 IonicContact OE1-NH2 3.94Å; E59-R62 IonicContact OE2-CZ 3.46Å; E59-R62 IonicContact OE2-NE 2.61Å; E59-R62 PolarHBondContact OE2-NE 3.34Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 2.97Å; F60-R62 PolarHBondContact O-N 3.34Å; F60-R62 VanDerWaalsContact O-N 3.13Å; R62-A64 PolarHBondContact O-N 3.08Å; R62-A65 PolarHBondContact O-N 3.46Å
63	T	80.1	Confident	86.9	Confident	46 Å²	46	71.2 Å²	71.2	28%	0.282	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-71.5	-15.6	173.3	45.1	0	0	0	0	113.5	E38 P61 A65 N66 H67	E38-T63 WeakPolarHBondContact OE1-CB 3.38Å; E38-T63 WeakPolarHBondContact OE1-CG2 3.45Å; E38-T63 PolarHBondContact OE1-OG1 3.38Å; P61-T63 PolarHBondContact O-N 2.83Å; P61-T63 VanDerWaalsContact O-N 3.08Å; T63-A65 PolarHBondContact O-N 3.06Å; T63-N66 VanDerWaalsContact O-CB 3.28Å; T63-N66 WeakPolarHBondContact O-CB 3.43Å; T63-N66 PolarHBondContact O-N 3.09Å; T63-N66 PolarHBondContact O-ND2 3.29Å; T63-H67 PolarHBondContact O-CD2 3.14Å; T63-H67 VanDerWaalsContact O-CD2 3.27Å
64	A	82.4	Confident	87	Confident	8 Å²	8	72.3 Å²	72.3	7%	0.066	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-57.6	-29.2	171.2	0	0	0	0	0	112.8	L41 F60 P61 R62 N66 H67 L69	L41-A64 HydrophobicContact CD1-CB 4.26Å; L41-A64 HydrophobicContact CD2-CB 3.68Å; F60-A64 HydrophobicContact CD1-CB 4.23Å; F60-A64 HydrophobicContact CE1-CB 3.48Å; F60-A64 VanDerWaalsContact CE1-CB 3.48Å; F60-A64 HydrophobicContact CZ-CB 4.2Å; P61-A64 HydrophobicContact CG-CB 4.32Å; P61-A64 WeakPolarHBondContact O-CB 3.41Å; P61-A64 PolarHBondContact O-N 3.18Å; R62-A64 PolarHBondContact O-N 3.08Å; A64-N66 PolarHBondContact O-N 3.11Å; A64-N66 VanDerWaalsContact O-N 3.14Å; A64-H67 PolarHBondContact O-N 3.03Å; A64-H67 VanDerWaalsContact O-N 3.1Å; A64-L69 HydrophobicContact CB-CD1 4.04Å
65	A	80.1	Confident	87.2	Confident	92 Å²	92	68.9 Å²	68.9	76%	0.76	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-67.7	-6.5	174.3	0	0	0	0	0	114.3	R62 T63	R62-A65 PolarHBondContact O-N 3.46Å; T63-A65 PolarHBondContact O-N 3.06Å
66	N	82	Confident	87.5	Confident	129 Å²	129	66 Å²	66	69%	0.69	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-94.7	-9.1	173.4	-54.9	-33.4	0	0	0	113	T63 A64	T63-N66 VanDerWaalsContact O-CB 3.28Å; T63-N66 WeakPolarHBondContact O-CB 3.43Å; T63-N66 PolarHBondContact O-N 3.09Å; T63-N66 PolarHBondContact O-ND2 3.29Å; A64-N66 PolarHBondContact O-N 3.11Å; A64-N66 VanDerWaalsContact O-N 3.14Å
67	H	82.2	Confident	87.7	Confident	51 Å²	51	59.1 Å²	59.1	24%	0.236	31%	0.311	C	S	.	.	S	Bend	trans	-112.7	142.1	-179.3	-59.2	-90.3	0	0	0	108.4	E38 L41 T63 A64 L69	E38-H67 IonicContact OE2-CD2 3.85Å; E38-H67 IonicContact OE2-CE1 3.37Å; E38-H67 IonicContact OE2-NE2 3.97Å; E38-H67 PolarHBondContact OE2-NE2 3.43Å; L41-H67 HydrophobicContact CB-CB 4.45Å; T63-H67 PolarHBondContact O-CD2 3.14Å; T63-H67 VanDerWaalsContact O-CD2 3.27Å; A64-H67 PolarHBondContact O-N 3.03Å; A64-H67 VanDerWaalsContact O-N 3.1Å; H67-L69 HydrophobicContact CB-CG 4.44Å; H67-L69 PolarHBondContact O-N 2.92Å
68	D	84.2	Confident	87.9	Confident	112 Å²	112	57.9 Å²	57.9	60%	0.599	31%	0.305	S	S	*	.			trans	-75.9	126.5	168.3	-163.1	-16.8	0	0	0	108.3	A45 S70	A45-D68 WeakPolarHBondContact CA-O 3.32Å; A45-D68 WeakPolarHBondContact CB-O 3.34Å; D68-S70 VanDerWaalsContact OD1-CB 3.27Å; D68-S70 WeakPolarHBondContact OD1-CB 3.19Å; D68-S70 PolarHBondContact OD1-N 3.47Å; D68-S70 PolarHBondContact OD1-OG 3.29Å
69	L	86.7	Confident	88.1	Confident	13 Å²	13	55.6 Å²	55.6	7%	0.068	30%	0.295	C	S	.	.			trans	-129.9	11.8	179.7	-63.8	175.3	0	0	0	110.7	L41 A44 A45 A64 H67 D71 T72 L92	L41-L69 HydrophobicContact CD2-CD1 4.11Å; A44-L69 HydrophobicContact CB-CD2 3.71Å; A45-L69 HydrophobicContact CB-CD2 4.24Å; A64-L69 HydrophobicContact CB-CD1 4.04Å; H67-L69 HydrophobicContact CB-CG 4.44Å; H67-L69 PolarHBondContact O-N 2.92Å; L69-D71 PolarHBondContact O-N 3.41Å; L69-D71 VanDerWaalsContact O-N 3.11Å; L69-T72 VanDerWaalsContact O-CB 3.28Å; L69-T72 WeakPolarHBondContact O-CB 3.35Å; L69-T72 PolarHBondContact O-N 3.12Å; L69-T72 PolarHBondContact O-OG1 3.4Å; L69-L92 HydrophobicContact CB-CD2 3.74Å; L69-L92 WeakPolarHBondContact O-CD2 3.4Å
70	S	85.5	Confident	88.3	Confident	73 Å²	73	50.6 Å²	50.6	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.1	-173.3	56.7	0	0	0	0	113.9	D68 A94	D68-S70 VanDerWaalsContact OD1-CB 3.27Å; D68-S70 WeakPolarHBondContact OD1-CB 3.19Å; D68-S70 PolarHBondContact OD1-N 3.47Å; D68-S70 PolarHBondContact OD1-OG 3.29Å; S70-A94 WeakPolarHBondContact O-CB 3.27Å
71	D	89.9	Confident	88.6	Confident	72 Å²	72	57.1 Å²	57.1	39%	0.385	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.3	175.2	71.7	-30.3	0	0	0	114.3	L69 V73	L69-D71 PolarHBondContact O-N 3.41Å; L69-D71 VanDerWaalsContact O-N 3.11Å; D71-V73 WeakPolarHBondContact O-CG2 3.49Å; D71-V73 PolarHBondContact O-N 2.97Å; D71-V73 VanDerWaalsContact O-N 3.15Å
72	T	92.4	Very high	88.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.294	C	S	.	.			trans	-66.6	113.6	-177.6	-59.5	0	0	0	0	111.6	G48 L50 L69 L92 A94 L95	G48-T72 CarbonylContact O-C 3.57Å; G48-T72 WeakPolarHBondContact O-CA 3.36Å; L50-T72 HydrophobicContact CB-CG2 3.76Å; L69-T72 VanDerWaalsContact O-CB 3.28Å; L69-T72 WeakPolarHBondContact O-CB 3.35Å; L69-T72 PolarHBondContact O-N 3.12Å; L69-T72 PolarHBondContact O-OG1 3.4Å; T72-L92 HydrophobicContact CG2-CD1 4.22Å; T72-A94 CarbonylContact O-C 3.35Å; T72-L95 HydrophobicContact CG2-CD1 4Å; T72-L95 WeakPolarHBondContact O-CA 3.08Å; T72-L95 PolarHBondContact O-N 2.92Å
73	V	93.3	Very high	89.4	Confident	60 Å²	60	50.7 Å²	50.7	36%	0.364	28%	0.28	S	S	.	.			trans	-93.7	-34.9	-180	-176.8	0	0	0	0	112.2	G48 D71 E96 T97	G48-V73 PolarHBondContact O-N 3.11Å; D71-V73 WeakPolarHBondContact O-CG2 3.49Å; D71-V73 PolarHBondContact O-N 2.97Å; D71-V73 VanDerWaalsContact O-N 3.15Å; V73-E96 HydrophobicContact CG1-CB 3.84Å; V73-E96 HydrophobicContact CG1-CG 3.8Å; V73-E96 PolarHBondContact O-N 3.05Å; V73-T97 PolarHBondContact O-N 3.47Å
74	E	94.5	Very high	90.1	Very high	45 Å²	45	51.3 Å²	51.3	21%	0.21	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.7	178	-175	-175.8	161.1	0	0	111.5	G48 V49 L50 T97 K394	G48-E74 PolarHBondContact O-N 3.22Å; V49-E74 CarbonylContact C-O 3.08Å; V49-E74 WeakPolarHBondContact CA-O 3.31Å; V49-E74 HydrophobicContact CG1-CB 4.33Å; V49-E74 HydrophobicContact CG2-CB 4.38Å; L50-E74 PolarHBondContact N-O 3.35Å; E74-T97 WeakPolarHBondContact CA-O 3.31Å; E74-T97 HydrophobicContact CG-CG2 4.21Å; E74-K394 WeakPolarHBondContact OE1-CE 3.28Å; E74-K394 IonicContact OE1-NZ 2.78Å; E74-K394 PolarHBondContact OE1-NZ 2.8Å; E74-K394 IonicContact OE2-NZ 2.72Å; E74-K394 PolarHBondContact OE2-NZ 3.27Å
75	A	94.8	Very high	90.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.6	174.7	0	0	0	0	0	111.9	L50 L95 T97 L98 N99	L50-A75 HydrophobicContact CB-CB 4.25Å; L50-A75 HydrophobicContact CD2-CB 4.47Å; L50-A75 CarbonylContact O-C 3.55Å; L50-A75 WeakPolarHBondContact O-CA 3.42Å; A75-L95 HydrophobicContact CB-CD1 3.62Å; A75-L95 HydrophobicContact CB-CD2 4.39Å; A75-T97 PolarHBondContact N-O 2.85Å; A75-L98 HydrophobicContact CB-CD1 4.08Å; A75-N99 PolarHBondContact O-N 3.47Å
76	D	94.2	Very high	91.1	Very high	30 Å²	30	47.4 Å²	47.4	16%	0.16	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	107.6	172.2	-165.9	-34.6	0	0	0	111	L50 L52 S53 S78 N99	L50-D76 PolarHBondContact O-N 3.47Å; L52-D76 CarbonylContact C-O 3.59Å; L52-D76 WeakPolarHBondContact CA-O 3.41Å; L52-D76 PolarHBondContact N-O 2.93Å; S53-D76 WeakPolarHBondContact CB-OD1 2.97Å; S53-D76 PolarHBondContact N-O 3.21Å; D76-S78 WeakPolarHBondContact OD1-CB 3.34Å; D76-S78 PolarHBondContact OD1-N 2.67Å; D76-S78 PolarHBondContact OD1-OG 2.9Å; D76-N99 HydrophobicContact CB-CB 4.4Å; D76-N99 VanDerWaalsContact CG-ND2 3.28Å; D76-N99 PolarHBondContact OD1-ND2 3.32Å; D76-N99 PolarHBondContact OD2-ND2 2.76Å
77	L	94.2	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.			trans	-110.7	15.8	176.9	-78	153.8	0	0	0	111.7	L52 F60 N80 L82 V89 L98 N99 L100 N103	L52-L77 HydrophobicContact CB-CD2 3.74Å; L52-L77 HydrophobicContact CB-CG 4.42Å; L52-L77 HydrophobicContact CD1-CD2 3.91Å; L52-L77 HydrophobicContact CG-CD2 4.46Å; F60-L77 HydrophobicContact CD2-CD1 4.39Å; F60-L77 HydrophobicContact CD2-CD2 3.99Å; F60-L77 HydrophobicContact CE2-CD1 4.2Å; F60-L77 HydrophobicContact CE2-CD2 4.07Å; L77-N80 PolarHBondContact O-ND2 2.92Å; L77-L82 HydrophobicContact CB-CD1 4.28Å; L77-L82 HydrophobicContact CD2-CD1 4.33Å; L77-V89 HydrophobicContact CD1-CG2 3.62Å; L77-L98 HydrophobicContact CD1-CD1 4.22Å; L77-N99 PolarHBondContact N-O 3.1Å; L77-L100 HydrophobicContact CB-CD2 3.74Å; L77-L100 HydrophobicContact CD1-CD2 4.07Å; L77-N103 PolarHBondContact O-ND2 3.45Å
78	S	93.5	Very high	91.7	Very high	6 Å²	6	45.9 Å²	45.9	4%	0.042	24%	0.243	C	C	.	.			trans	-68.5	159.3	-173	69.6	0	0	0	0	114.3	S53 C54 D76 N80 N99 Y101	S53-S78 CarbonylContact C-O 3.43Å; S53-S78 WeakPolarHBondContact CA-O 3.46Å; C54-S78 PolarHBondContact N-O 3.22Å; D76-S78 WeakPolarHBondContact OD1-CB 3.34Å; D76-S78 PolarHBondContact OD1-N 2.67Å; D76-S78 PolarHBondContact OD1-OG 2.9Å; S78-N80 PolarHBondContact O-N 3.47Å; S78-N80 PolarHBondContact O-ND2 2.84Å; S78-N99 PolarHBondContact N-O 3.26Å; S78-Y101 CarbonylContact C-O 3.52Å; S78-Y101 WeakPolarHBondContact CA-O 3.27Å; S78-Y101 WeakPolarHBondContact CB-O 3.19Å
79	K	93.3	Very high	92	Very high	107 Å²	107	40.6 Å²	40.6	47%	0.465	21%	0.214	S	C	.	.	S	Bend	trans	57.5	35.6	176.7	-58.1	163.2	179.6	169.1	0	112.7	C54 Y101 H102	C54-K79 WeakPolarHBondContact CA-O 3.36Å; C54-K79 VanDerWaalsContact SG-CD 3.51Å; K79-Y101 HydrophobicContact CG-CD1 4.35Å; K79-Y101 HydrophobicContact CG-CE1 4.42Å; K79-Y101 PolarHBondContact N-O 3.14Å; K79-H102 WeakPolarHBondContact CA-O 3.25Å; K79-H102 HydrophobicContact CG-CB 4.31Å; K79-H102 PolarHBondContact N-O 2.94Å
80	N	94.1	Very high	92.1	Very high	10 Å²	10	40 Å²	40	5%	0.053	21%	0.212	C	C	.	.	S	Bend	trans	-106	-157.2	174.4	-79.9	-57	0	0	0	110	L52 R55 K56 L57 L77 S78 L82 H102 N103	L52-N80 PolarHBondContact O-ND2 3.36Å; R55-N80 VanDerWaalsContact C-OD1 3.3Å; R55-N80 WeakPolarHBondContact CA-OD1 3.21Å; R55-N80 PolarHBondContact N-OD1 2.85Å; K56-N80 PolarHBondContact N-OD1 2.66Å; L57-N80 HydrophobicContact CB-CB 4.25Å; L57-N80 PolarHBondContact N-OD1 3.21Å; L77-N80 PolarHBondContact O-ND2 2.92Å; S78-N80 PolarHBondContact O-N 3.47Å; S78-N80 PolarHBondContact O-ND2 2.84Å; N80-L82 HydrophobicContact CB-CG 4.34Å; N80-H102 PolarHBondContact N-O 3.14Å; N80-N103 VanDerWaalsContact CA-OD1 3.28Å; N80-N103 WeakPolarHBondContact CA-OD1 3.49Å; N80-N103 WeakPolarHBondContact CB-OD1 3.48Å; N80-N103 PolarHBondContact N-OD1 3.44Å
81	R	94.2	Very high	92.2	Very high	150 Å²	150	43.2 Å²	43.2	57%	0.566	22%	0.218	S	C	*	.			trans	-136.5	28.8	-177.3	-62	-179.4	171.4	-169.8	-7	111.4	L57 S83 N103	L57-R81 CarbonylContact O-C 3.18Å; L57-R81 VanDerWaalsContact O-CA 3.23Å; L57-R81 WeakPolarHBondContact O-CA 3.26Å; L57-R81 WeakPolarHBondContact O-CB 3.41Å; L57-R81 PolarHBondContact O-N 3.41Å; R81-S83 PolarHBondContact O-N 2.98Å; R81-N103 PolarHBondContact N-OD1 3.17Å; R81-N103 VanDerWaalsContact N-OD1 3.16Å
82	L	93.5	Very high	92.2	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.202	C	C	.	.			trans	-61.2	131.5	178.5	-57.6	175.6	0	0	0	109.3	L57 L77 N80 L100 N103 C104 I105	L57-L82 HydrophobicContact CB-CD2 4.42Å; L57-L82 PolarHBondContact O-N 3.4Å; L77-L82 HydrophobicContact CB-CD1 4.28Å; L77-L82 HydrophobicContact CD2-CD1 4.33Å; N80-L82 HydrophobicContact CB-CG 4.34Å; L82-L100 HydrophobicContact CD1-CD2 4.12Å; L82-N103 HydrophobicContact CB-CB 4.45Å; L82-N103 WeakPolarHBondContact CG-OD1 3.3Å; L82-N103 PolarHBondContact N-OD1 3.14Å; L82-N103 VanDerWaalsContact N-OD1 3.1Å; L82-C104 CarbonylContact O-C 3.12Å; L82-C104 VanDerWaalsContact O-CA 3.25Å; L82-C104 WeakPolarHBondContact O-CA 3.06Å; L82-C104 WeakPolarHBondContact O-CB 3.48Å; L82-C104 PolarHBondContact O-N 2.94Å; L82-I105 HydrophobicContact CB-CG1 4.25Å; L82-I105 PolarHBondContact O-N 2.85Å
83	S	93.3	Very high	92.1	Very high	58 Å²	58	44.3 Å²	44.3	41%	0.406	23%	0.227	S	C	.	.	S	Bend	trans	-82.6	-22.2	178.1	60.2	0	0	0	0	113.3	R81 I105 R106	R81-S83 PolarHBondContact O-N 2.98Å; S83-I105 CarbonylContact O-C 3.45Å; S83-I105 VanDerWaalsContact O-CA 3.26Å; S83-I105 WeakPolarHBondContact O-CA 3.46Å; S83-R106 PolarHBondContact O-N 3.15Å
84	D	94.1	Very high	92.1	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	22%	0.221	S	C	.	.	S	Bend	trans	-154	162.1	-171.7	-58.2	-77.4	0	0	0	107.9	P86 T107	D84-P86 WeakPolarHBondContact O-CD 3.3Å; D84-T107 WeakPolarHBondContact OD1-CB 3.33Å; D84-T107 PolarHBondContact OD1-N 3.23Å; D84-T107 PolarHBondContact OD1-OG1 3.49Å
85	V	93.1	Very high	92.1	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.03	21%	0.211	C	C	.	.			trans	-73.8	123.4	173.8	-176	0	0	0	0	109	L100 I105 T107 I108 P109 I112 L123	V85-L100 HydrophobicContact CG1-CD1 4.01Å; V85-L100 HydrophobicContact CG2-CD1 3.92Å; V85-I105 HydrophobicContact CG2-CD1 4.28Å; V85-I105 HydrophobicContact CG2-CG2 3.78Å; V85-T107 PolarHBondContact N-O 3.33Å; V85-T107 VanDerWaalsContact N-O 3.14Å; V85-I108 HydrophobicContact CG2-CB 4.3Å; V85-I108 HydrophobicContact CG2-CG1 3.89Å; V85-I108 HydrophobicContact CG2-CG2 4.3Å; V85-P109 WeakPolarHBondContact O-CD 3.14Å; V85-I112 HydrophobicContact CG1-CD1 4.3Å; V85-L123 HydrophobicContact CG2-CD2 4.24Å
86	P	90.3	Very high	92.1	Very high	14 Å²	14	45.5 Å²	45.5	9%	0.091	23%	0.233	C	C	.	.			trans	-69.9	133.7	-175.1	26.5	-34.4	0	0	0	112.5	F60 D84 E88 V89	F60-P86 HydrophobicContact CB-CB 3.59Å; F60-P86 HydrophobicContact CB-CG 3.96Å; F60-P86 HydrophobicContact CD2-CB 4.42Å; F60-P86 HydrophobicContact CD2-CG 3.96Å; F60-P86 HydrophobicContact CG-CB 4.18Å; F60-P86 HydrophobicContact CG-CG 4.23Å; D84-P86 WeakPolarHBondContact O-CD 3.3Å; P86-E88 WeakPolarHBondContact CB-OE2 3.26Å; P86-E88 PolarHBondContact O-N 3.38Å; P86-V89 HydrophobicContact CG-CB 4.21Å; P86-V89 HydrophobicContact CG-CG2 3.69Å; P86-V89 PolarHBondContact O-N 3.09Å; P86-V89 VanDerWaalsContact O-N 3.15Å
87	S	88.7	Confident	92.2	Very high	56 Å²	56	45.6 Å²	45.6	39%	0.392	24%	0.235	S	C	.	.	H	α-helix	trans	-62.5	-27.1	178.2	-55.1	0	0	0	0	112.5	V89 C90 H91	S87-V89 VanDerWaalsContact C-N 3.28Å; S87-V89 PolarHBondContact O-N 2.96Å; S87-C90 VanDerWaalsContact O-CB 3.3Å; S87-C90 WeakPolarHBondContact O-CB 3.26Å; S87-C90 PolarHBondContact O-N 2.91Å; S87-H91 PolarHBondContact O-CE1 2.92Å; S87-H91 VanDerWaalsContact O-CE1 3.22Å; S87-H91 PolarHBondContact O-ND1 2.88Å
88	E	88.8	Confident	92.3	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-55.8	-42.9	174.3	-64.6	83.6	172.7	0	0	111.7	F60 P86 C90 H91	F60-E88 HydrophobicContact CD1-CB 3.37Å; F60-E88 HydrophobicContact CD1-CG 3.81Å; F60-E88 HydrophobicContact CE1-CB 3.67Å; F60-E88 HydrophobicContact CE1-CG 4.43Å; F60-E88 HydrophobicContact CG-CB 4.06Å; P86-E88 WeakPolarHBondContact CB-OE2 3.26Å; P86-E88 PolarHBondContact O-N 3.38Å; E88-C90 PolarHBondContact O-N 2.87Å; E88-H91 PolarHBondContact O-N 3.46Å; E88-H91 VanDerWaalsContact O-N 3.14Å; E88-H91 PolarHBondContact O-ND1 3.42Å
89	V	89.8	Confident	92.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-26.1	178.2	171.2	0	0	0	0	112.1	F60 L77 P86 S87 H91 L92 L95 L98	F60-V89 HydrophobicContact CD2-CG2 3.68Å; F60-V89 HydrophobicContact CE2-CG2 3.36Å; F60-V89 HydrophobicContact CZ-CG2 3.94Å; L77-V89 HydrophobicContact CD1-CG2 3.62Å; P86-V89 HydrophobicContact CG-CB 4.21Å; P86-V89 HydrophobicContact CG-CG2 3.69Å; P86-V89 PolarHBondContact O-N 3.09Å; P86-V89 VanDerWaalsContact O-N 3.15Å; S87-V89 VanDerWaalsContact C-N 3.28Å; S87-V89 PolarHBondContact O-N 2.96Å; V89-H91 PolarHBondContact O-N 3.46Å; V89-L92 HydrophobicContact CG1-CD1 4.28Å; V89-L92 WeakPolarHBondContact O-CB 3.23Å; V89-L92 WeakPolarHBondContact O-CG 3.39Å; V89-L92 PolarHBondContact O-N 3.37Å; V89-L95 HydrophobicContact CG1-CD2 4.04Å; V89-L98 HydrophobicContact CG1-CD1 3.89Å; V89-L98 HydrophobicContact CG1-CD2 3.88Å
90	C	88.6	Confident	92.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-67.8	-20.9	176.3	-56.2	0	0	0	0	112.3	S87 E88 L92 T114 L115	S87-C90 VanDerWaalsContact O-CB 3.3Å; S87-C90 WeakPolarHBondContact O-CB 3.26Å; S87-C90 PolarHBondContact O-N 2.91Å; E88-C90 PolarHBondContact O-N 2.87Å; C90-L92 PolarHBondContact O-N 3.06Å; C90-T114 PolarHBondContact O-OG1 2.92Å; C90-L115 VanDerWaalsContact O-CD2 3.3Å; C90-L115 WeakPolarHBondContact O-CD2 3.33Å
91	H	88.4	Confident	92.6	Very high	139 Å²	139	42.5 Å²	42.5	64%	0.644	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-5	177.4	-57.3	91	0	0	0	113.6	S87 E88 V89 V93	S87-H91 PolarHBondContact O-CE1 2.92Å; S87-H91 VanDerWaalsContact O-CE1 3.22Å; S87-H91 PolarHBondContact O-ND1 2.88Å; E88-H91 PolarHBondContact O-N 3.46Å; E88-H91 VanDerWaalsContact O-N 3.14Å; E88-H91 PolarHBondContact O-ND1 3.42Å; V89-H91 PolarHBondContact O-N 3.46Å; H91-V93 VanDerWaalsContact C-N 3.32Å; H91-V93 PolarHBondContact O-N 3.04Å
92	L	90.3	Very high	92.7	Very high	10 Å²	10	40 Å²	40	5%	0.052	22%	0.215	C	C	.	.			trans	-81.2	73.7	179.6	-53.3	179	0	0	0	110.2	L50 L69 T72 V89 C90 A94 L95 L115	L50-L92 HydrophobicContact CD2-CD1 4.4Å; L69-L92 HydrophobicContact CB-CD2 3.74Å; L69-L92 WeakPolarHBondContact O-CD2 3.4Å; T72-L92 HydrophobicContact CG2-CD1 4.22Å; V89-L92 HydrophobicContact CG1-CD1 4.28Å; V89-L92 WeakPolarHBondContact O-CB 3.23Å; V89-L92 WeakPolarHBondContact O-CG 3.39Å; V89-L92 PolarHBondContact O-N 3.37Å; C90-L92 PolarHBondContact O-N 3.06Å; L92-A94 PolarHBondContact O-N 2.81Å; L92-A94 VanDerWaalsContact O-N 3.13Å; L92-L95 HydrophobicContact CB-CB 4Å; L92-L95 HydrophobicContact CB-CD2 4.47Å; L92-L95 HydrophobicContact CD1-CD1 4.49Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 3.33Å; L92-L115 WeakPolarHBondContact O-CD2 3.4Å
93	V	89.3	Confident	92.8	Very high	86 Å²	86	40.3 Å²	40.3	52%	0.521	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.2	-171.5	-173	0	0	0	0	113.3	H91 L95 S117	H91-V93 VanDerWaalsContact C-N 3.32Å; H91-V93 PolarHBondContact O-N 3.04Å; V93-L95 VanDerWaalsContact C-N 3.27Å; V93-L95 PolarHBondContact O-N 2.83Å; V93-S117 WeakPolarHBondContact O-CB 3.31Å; V93-S117 PolarHBondContact O-OG 2.63Å
94	A	92.6	Very high	92.9	Very high	30 Å²	30	39.8 Å²	39.8	25%	0.248	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-4.5	175.3	0	0	0	0	0	114.8	S70 T72 L92 E96	S70-A94 WeakPolarHBondContact O-CB 3.27Å; T72-A94 CarbonylContact O-C 3.35Å; L92-A94 PolarHBondContact O-N 2.81Å; L92-A94 VanDerWaalsContact O-N 3.13Å; A94-E96 PolarHBondContact O-N 3.48Å; A94-E96 VanDerWaalsContact O-N 3.16Å
95	L	95.3	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.			trans	-71.6	109.4	-168.2	-168.3	74	0	0	0	112.8	T72 A75 V89 L92 V93 L98 L115 S117 L118	T72-L95 HydrophobicContact CG2-CD1 4Å; T72-L95 WeakPolarHBondContact O-CA 3.08Å; T72-L95 PolarHBondContact O-N 2.92Å; A75-L95 HydrophobicContact CB-CD1 3.62Å; A75-L95 HydrophobicContact CB-CD2 4.39Å; V89-L95 HydrophobicContact CG1-CD2 4.04Å; L92-L95 HydrophobicContact CB-CB 4Å; L92-L95 HydrophobicContact CB-CD2 4.47Å; L92-L95 HydrophobicContact CD1-CD1 4.49Å; L92-L95 HydrophobicContact CD1-CD2 4.5Å; L92-L95 WeakPolarHBondContact O-CB 3.35Å; L92-L95 PolarHBondContact O-N 3.33Å; V93-L95 VanDerWaalsContact C-N 3.27Å; V93-L95 PolarHBondContact O-N 2.83Å; L95-L98 HydrophobicContact CD2-CB 3.94Å; L95-L98 HydrophobicContact CD2-CD1 4.27Å; L95-L98 HydrophobicContact CD2-CD2 4.2Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L95-L115 HydrophobicContact CB-CD2 4.3Å; L95-L115 HydrophobicContact CD2-CD1 4.22Å; L95-L115 HydrophobicContact CD2-CD2 4.45Å; L95-S117 CarbonylContact O-C 3.18Å; L95-L118 HydrophobicContact CD2-CD1 4.33Å; L95-L118 HydrophobicContact CG-CD1 4.26Å; L95-L118 WeakPolarHBondContact O-CA 3.5Å; L95-L118 PolarHBondContact O-N 3.25Å
96	E	95.6	Very high	93	Very high	99 Å²	99	43.1 Å²	43.1	46%	0.463	22%	0.22	S	C	.	.			trans	-87.1	-33.1	175.3	-69.7	-177.5	-170.1	0	0	112.9	V73 A94 S117 T119 S120	V73-E96 HydrophobicContact CG1-CB 3.84Å; V73-E96 HydrophobicContact CG1-CG 3.8Å; V73-E96 PolarHBondContact O-N 3.05Å; A94-E96 PolarHBondContact O-N 3.48Å; A94-E96 VanDerWaalsContact O-N 3.16Å; E96-S117 WeakPolarHBondContact CA-O 3.47Å; E96-T119 PolarHBondContact O-N 3.3Å; E96-T119 PolarHBondContact O-OG1 2.96Å; E96-S120 PolarHBondContact O-N 3.26Å
97	T	96.1	Very high	93.1	Very high	32 Å²	32	46.2 Å²	46.2	20%	0.196	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	123.2	-175	-65.8	0	0	0	0	112.6	V73 E74 A75 S120	V73-T97 PolarHBondContact O-N 3.47Å; E74-T97 WeakPolarHBondContact CA-O 3.31Å; E74-T97 HydrophobicContact CG-CG2 4.21Å; A75-T97 PolarHBondContact N-O 2.85Å; T97-S120 WeakPolarHBondContact CA-O 3.32Å
98	L	96.7	Very high	93.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	113.4	178.1	179.3	52.1	0	0	0	111.7	A75 L77 V89 L95 L100 I112 L115 L118 S120 L121 N122	A75-L98 HydrophobicContact CB-CD1 4.08Å; L77-L98 HydrophobicContact CD1-CD1 4.22Å; V89-L98 HydrophobicContact CG1-CD1 3.89Å; V89-L98 HydrophobicContact CG1-CD2 3.88Å; L95-L98 HydrophobicContact CD2-CB 3.94Å; L95-L98 HydrophobicContact CD2-CD1 4.27Å; L95-L98 HydrophobicContact CD2-CD2 4.2Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L98-L100 HydrophobicContact CD1-CD1 4.18Å; L98-L100 HydrophobicContact CD1-CD2 4.41Å; L98-L100 HydrophobicContact CD1-CG 3.98Å; L98-L100 HydrophobicContact CD2-CD1 3.88Å; L98-L100 HydrophobicContact CG-CD1 3.84Å; L98-L100 HydrophobicContact CG-CG 4.05Å; L98-I112 HydrophobicContact CD2-CD1 4.5Å; L98-L115 HydrophobicContact CD2-CD1 4.36Å; L98-L118 HydrophobicContact CB-CD1 3.77Å; L98-S120 PolarHBondContact N-O 3.07Å; L98-L121 HydrophobicContact CB-CD1 3.93Å; L98-L121 HydrophobicContact CD2-CD1 3.94Å; L98-L121 HydrophobicContact CG-CD1 3.88Å; L98-N122 PolarHBondContact O-N 3.24Å
99	N	96	Very high	93.6	Very high	20 Å²	20	41.1 Å²	41.1	11%	0.107	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	108.7	177	-177.1	21.9	0	0	0	111.8	A75 D76 L77 S78 Y101 N122	A75-N99 PolarHBondContact O-N 3.47Å; D76-N99 HydrophobicContact CB-CB 4.4Å; D76-N99 VanDerWaalsContact CG-ND2 3.28Å; D76-N99 PolarHBondContact OD1-ND2 3.32Å; D76-N99 PolarHBondContact OD2-ND2 2.76Å; L77-N99 PolarHBondContact N-O 3.1Å; S78-N99 PolarHBondContact N-O 3.26Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.34Å; N99-Y101 PolarHBondContact OD1-N 3.01Å; N99-N122 PolarHBondContact OD1-ND2 3.03Å
100	L	95.4	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.			trans	-113.1	15.3	178.3	-70.1	160.5	0	0	0	112.4	L77 L82 V85 L98 H102 N103 I105 L121 N122 L123 N126	L77-L100 HydrophobicContact CB-CD2 3.74Å; L77-L100 HydrophobicContact CD1-CD2 4.07Å; L82-L100 HydrophobicContact CD1-CD2 4.12Å; V85-L100 HydrophobicContact CG1-CD1 4.01Å; V85-L100 HydrophobicContact CG2-CD1 3.92Å; L98-L100 HydrophobicContact CD1-CD1 4.18Å; L98-L100 HydrophobicContact CD1-CD2 4.41Å; L98-L100 HydrophobicContact CD1-CG 3.98Å; L98-L100 HydrophobicContact CD2-CD1 3.88Å; L98-L100 HydrophobicContact CG-CD1 3.84Å; L98-L100 HydrophobicContact CG-CG 4.05Å; L100-H102 PolarHBondContact O-N 2.96Å; L100-N103 PolarHBondContact O-ND2 3.48Å; L100-I105 HydrophobicContact CB-CD1 3.81Å; L100-I105 HydrophobicContact CD1-CD1 4.26Å; L100-I105 HydrophobicContact CD2-CD1 3.95Å; L100-I105 HydrophobicContact CG-CD1 4.23Å; L100-L121 HydrophobicContact CD1-CD1 4.4Å; L100-N122 CarbonylContact C-O 3.1Å; L100-N122 WeakPolarHBondContact CA-O 3.45Å; L100-N122 WeakPolarHBondContact CB-O 3.34Å; L100-N122 PolarHBondContact N-O 2.96Å; L100-L123 HydrophobicContact CB-CD2 4.24Å; L100-L123 HydrophobicContact CD1-CD2 3.72Å; L100-N126 PolarHBondContact O-ND2 3.03Å; L100-N126 VanDerWaalsContact O-ND2 3.09Å
101	Y	95.8	Very high	93.8	Very high	37 Å²	37	48.6 Å²	48.6	15%	0.145	26%	0.256	C	S	.	.			trans	-47.3	135.6	-178.6	168.9	-113.8	0	0	0	113.5	S78 K79 N99 N122 S124 R125	S78-Y101 CarbonylContact C-O 3.52Å; S78-Y101 WeakPolarHBondContact CA-O 3.27Å; S78-Y101 WeakPolarHBondContact CB-O 3.19Å; K79-Y101 HydrophobicContact CG-CD1 4.35Å; K79-Y101 HydrophobicContact CG-CE1 4.42Å; K79-Y101 PolarHBondContact N-O 3.14Å; N99-Y101 WeakPolarHBondContact OD1-CB 3.34Å; N99-Y101 PolarHBondContact OD1-N 3.01Å; Y101-N122 PolarHBondContact N-O 3.26Å; Y101-S124 CarbonylContact C-O 3.37Å; Y101-S124 WeakPolarHBondContact CA-O 3.49Å; Y101-S124 WeakPolarHBondContact CD2-O 3.48Å; Y101-S124 WeakPolarHBondContact CD2-OG 3.44Å; Y101-R125 HydrophobicContact CD2-CB 4.29Å; Y101-R125 HydrophobicContact CD2-CG 4.45Å; Y101-R125 HydrophobicContact CE2-CB 4.01Å; Y101-R125 HydrophobicContact CE2-CG 3.78Å; Y101-R125 PolarHBondContact OH-NH1 3.45Å
102	H	95.4	Very high	94	Very high	98 Å²	98	42 Å²	42	45%	0.454	23%	0.226	S	C	.	.	S	Bend	trans	56.2	65.3	173.7	-163.2	50.8	0	0	0	113.6	K79 N80 L100 S124 R125	K79-H102 WeakPolarHBondContact CA-O 3.25Å; K79-H102 HydrophobicContact CG-CB 4.31Å; K79-H102 PolarHBondContact N-O 2.94Å; N80-H102 PolarHBondContact N-O 3.14Å; L100-H102 PolarHBondContact O-N 2.96Å; H102-S124 PolarHBondContact N-O 3.17Å; H102-R125 VanDerWaalsContact CA-O 3.3Å; H102-R125 WeakPolarHBondContact CA-O 3.45Å; H102-R125 HydrophobicContact CB-CB 4.28Å
103	N	95.3	Very high	94.1	Very high	9 Å²	9	45 Å²	45	5%	0.048	24%	0.241	C	C	.	.	S	Bend	trans	-123.2	-160.2	172.2	-89.2	-78.9	0	0	0	109.6	L77 N80 R81 L82 L100 I105 R125 N126	L77-N103 PolarHBondContact O-ND2 3.45Å; N80-N103 VanDerWaalsContact CA-OD1 3.28Å; N80-N103 WeakPolarHBondContact CA-OD1 3.49Å; N80-N103 WeakPolarHBondContact CB-OD1 3.48Å; N80-N103 PolarHBondContact N-OD1 3.44Å; R81-N103 PolarHBondContact N-OD1 3.17Å; R81-N103 VanDerWaalsContact N-OD1 3.16Å; L82-N103 HydrophobicContact CB-CB 4.45Å; L82-N103 WeakPolarHBondContact CG-OD1 3.3Å; L82-N103 PolarHBondContact N-OD1 3.14Å; L82-N103 VanDerWaalsContact N-OD1 3.1Å; L100-N103 PolarHBondContact O-ND2 3.48Å; N103-I105 HydrophobicContact CB-CD1 3.85Å; N103-I105 HydrophobicContact CB-CG1 3.86Å; N103-R125 PolarHBondContact N-O 2.78Å; N103-N126 WeakPolarHBondContact CA-OD1 3.36Å; N103-N126 WeakPolarHBondContact CB-OD1 3.5Å; N103-N126 PolarHBondContact N-OD1 3.5Å; N103-N126 PolarHBondContact O-OD1 3.21Å
104	C	95.3	Very high	94.2	Very high	46 Å²	46	44.1 Å²	44.1	31%	0.311	24%	0.235	S	C	.	.			trans	-116.8	23.8	174.9	-64.6	0	0	0	0	112.5	L82 R106 N126	L82-C104 CarbonylContact O-C 3.12Å; L82-C104 VanDerWaalsContact O-CA 3.25Å; L82-C104 WeakPolarHBondContact O-CA 3.06Å; L82-C104 WeakPolarHBondContact O-CB 3.48Å; L82-C104 PolarHBondContact O-N 2.94Å; C104-R106 PolarHBondContact O-N 3.38Å; C104-N126 PolarHBondContact N-OD1 2.96Å
105	I	95.8	Very high	94.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.224	C	C	.	.			trans	-63.5	125.3	-166.5	-63.3	163.5	0	0	0	110.7	L82 S83 V85 L100 N103 T107 N126 Q127 L128	L82-I105 HydrophobicContact CB-CG1 4.25Å; L82-I105 PolarHBondContact O-N 2.85Å; S83-I105 CarbonylContact O-C 3.45Å; S83-I105 VanDerWaalsContact O-CA 3.26Å; S83-I105 WeakPolarHBondContact O-CA 3.46Å; V85-I105 HydrophobicContact CG2-CD1 4.28Å; V85-I105 HydrophobicContact CG2-CG2 3.78Å; L100-I105 HydrophobicContact CB-CD1 3.81Å; L100-I105 HydrophobicContact CD1-CD1 4.26Å; L100-I105 HydrophobicContact CD2-CD1 3.95Å; L100-I105 HydrophobicContact CG-CD1 4.23Å; N103-I105 HydrophobicContact CB-CD1 3.85Å; N103-I105 HydrophobicContact CB-CG1 3.86Å; I105-T107 VanDerWaalsContact CG2-O 3.3Å; I105-T107 WeakPolarHBondContact CG2-O 3.28Å; I105-N126 HydrophobicContact CB-CB 4.16Å; I105-N126 WeakPolarHBondContact CB-OD1 3.35Å; I105-N126 WeakPolarHBondContact CG1-OD1 3.41Å; I105-N126 PolarHBondContact N-OD1 3.4Å; I105-Q127 CarbonylContact O-C 3.38Å; I105-Q127 VanDerWaalsContact O-CA 3.27Å; I105-Q127 WeakPolarHBondContact O-CA 3.42Å; I105-Q127 PolarHBondContact O-N 2.78Å; I105-L128 HydrophobicContact CG2-CD2 3.76Å; I105-L128 PolarHBondContact O-N 2.54Å; I105-L128 VanDerWaalsContact O-N 3.11Å
106	R	94.3	Very high	94.1	Very high	135 Å²	135	47.8 Å²	47.8	51%	0.509	25%	0.247	S	C	.	.			trans	-103.7	-40.7	178.6	-57.8	-164.4	178.1	-61.4	-12.4	112.6	S83 C104	S83-R106 PolarHBondContact O-N 3.15Å; C104-R106 PolarHBondContact O-N 3.38Å
107	T	92.6	Very high	94	Very high	78 Å²	78	45.3 Å²	45.3	48%	0.479	24%	0.241	S	C	.	.			trans	-126.6	155.4	-179	74.3	0	0	0	0	111.9	D84 V85 I105	D84-T107 WeakPolarHBondContact OD1-CB 3.33Å; D84-T107 PolarHBondContact OD1-N 3.23Å; D84-T107 PolarHBondContact OD1-OG1 3.49Å; V85-T107 PolarHBondContact N-O 3.33Å; V85-T107 VanDerWaalsContact N-O 3.14Å; I105-T107 VanDerWaalsContact CG2-O 3.3Å; I105-T107 WeakPolarHBondContact CG2-O 3.28Å
108	I	94.4	Very high	94	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.072	23%	0.232	C	C	.	.			trans	-118.5	126.7	170.7	-57	164.9	0	0	0	104.6	V85 I112 L123 L128 L131 P132	V85-I108 HydrophobicContact CG2-CB 4.3Å; V85-I108 HydrophobicContact CG2-CG1 3.89Å; V85-I108 HydrophobicContact CG2-CG2 4.3Å; I108-I112 HydrophobicContact CG2-CB 3.94Å; I108-I112 HydrophobicContact CG2-CD1 4.32Å; I108-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 HydrophobicContact CG2-CG2 3.98Å; I108-L123 HydrophobicContact CD1-CD1 3.62Å; I108-L123 HydrophobicContact CD1-CD2 4.42Å; I108-L128 HydrophobicContact CD1-CD1 4.12Å; I108-L128 HydrophobicContact CD1-CD2 4.03Å; I108-L128 HydrophobicContact CG1-CD2 3.81Å; I108-L131 HydrophobicContact CD1-CD2 3.94Å; I108-P132 HydrophobicContact CB-CG 3.99Å; I108-P132 HydrophobicContact CG2-CG 4.18Å
109	P	93.1	Very high	93.9	Very high	28 Å²	28	45.5 Å²	45.5	18%	0.182	24%	0.242	C	C	.	.			trans	-73.5	148.3	-179.2	31.9	-34.1	0	0	0	110.3	V85 S111 I112	V85-P109 WeakPolarHBondContact O-CD 3.14Å; P109-S111 PolarHBondContact O-N 2.99Å; P109-S111 VanDerWaalsContact O-N 3.08Å; P109-I112 WeakPolarHBondContact O-CB 3.3Å; P109-I112 WeakPolarHBondContact O-CG2 3.33Å; P109-I112 PolarHBondContact O-N 3.19Å
110	D	90.5	Very high	94	Very high	102 Å²	102	45.1 Å²	45.1	55%	0.545	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.9	176.1	-58.9	-39.7	0	0	0	112.3	I112 I113 C134	D110-I112 PolarHBondContact O-N 3.15Å; D110-I113 VanDerWaalsContact O-CG2 3.29Å; D110-I113 WeakPolarHBondContact O-CG2 3.25Å; D110-I113 PolarHBondContact O-N 2.87Å; D110-C134 HydrophobicContact CB-CB 4.28Å
111	S	91.1	Very high	94.1	Very high	56 Å²	56	45.2 Å²	45.2	39%	0.392	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-51.8	-20.6	170	-53.7	0	0	0	0	114.5	P109 I113 T114	P109-S111 PolarHBondContact O-N 2.99Å; P109-S111 VanDerWaalsContact O-N 3.08Å; S111-I113 PolarHBondContact O-N 3.22Å; S111-T114 WeakPolarHBondContact O-CB 3.41Å; S111-T114 PolarHBondContact O-N 3.19Å; S111-T114 PolarHBondContact O-OG1 3.29Å
112	I	92.9	Very high	94.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-53.7	-25.9	176	-158.7	74.6	0	0	0	112.5	V85 L98 I108 P109 D110 T114 L115 L135 L138	V85-I112 HydrophobicContact CG1-CD1 4.3Å; L98-I112 HydrophobicContact CD2-CD1 4.5Å; I108-I112 HydrophobicContact CG2-CB 3.94Å; I108-I112 HydrophobicContact CG2-CD1 4.32Å; I108-I112 HydrophobicContact CG2-CG1 4.07Å; I108-I112 HydrophobicContact CG2-CG2 3.98Å; P109-I112 WeakPolarHBondContact O-CB 3.3Å; P109-I112 WeakPolarHBondContact O-CG2 3.33Å; P109-I112 PolarHBondContact O-N 3.19Å; D110-I112 PolarHBondContact O-N 3.15Å; I112-T114 PolarHBondContact O-N 3.36Å; I112-T114 VanDerWaalsContact O-N 3.14Å; I112-L115 HydrophobicContact CD1-CD1 3.69Å; I112-L115 HydrophobicContact CG1-CD1 4.35Å; I112-L115 WeakPolarHBondContact O-CB 3.48Å; I112-L115 PolarHBondContact O-N 2.8Å; I112-L115 VanDerWaalsContact O-N 3.15Å; I112-L135 HydrophobicContact CG1-CD1 4.16Å; I112-L135 HydrophobicContact CG2-CD1 4.18Å; I112-L138 HydrophobicContact CG1-CD1 4.2Å
113	I	91.9	Very high	94.1	Very high	73 Å²	73	39.8 Å²	39.8	37%	0.374	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-62.1	-17.2	178.1	-158.9	168.4	0	0	0	114.2	D110 S111 L115 Q116 C134	D110-I113 VanDerWaalsContact O-CG2 3.29Å; D110-I113 WeakPolarHBondContact O-CG2 3.25Å; D110-I113 PolarHBondContact O-N 2.87Å; S111-I113 PolarHBondContact O-N 3.22Å; I113-L115 PolarHBondContact O-N 3.07Å; I113-Q116 PolarHBondContact O-NE2 2.94Å; I113-C134 HydrophobicContact CB-CB 4.45Å
114	T	91.8	Very high	94.2	Very high	66 Å²	66	39.6 Å²	39.6	41%	0.405	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-70.3	-19.5	175.7	51.4	0	0	0	0	113.4	C90 S111 I112 Q116	C90-T114 PolarHBondContact O-OG1 2.92Å; S111-T114 WeakPolarHBondContact O-CB 3.41Å; S111-T114 PolarHBondContact O-N 3.19Å; S111-T114 PolarHBondContact O-OG1 3.29Å; I112-T114 PolarHBondContact O-N 3.36Å; I112-T114 VanDerWaalsContact O-N 3.14Å; T114-Q116 PolarHBondContact O-N 3.3Å
115	L	92.9	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.			trans	-79.8	59.2	-178.8	-59.4	179.9	0	0	0	112	C90 L92 L95 L98 I112 I113 S117 L118 L138	C90-L115 VanDerWaalsContact O-CD2 3.3Å; C90-L115 WeakPolarHBondContact O-CD2 3.33Å; L92-L115 WeakPolarHBondContact O-CD2 3.4Å; L95-L115 HydrophobicContact CB-CD2 4.3Å; L95-L115 HydrophobicContact CD2-CD1 4.22Å; L95-L115 HydrophobicContact CD2-CD2 4.45Å; L98-L115 HydrophobicContact CD2-CD1 4.36Å; I112-L115 HydrophobicContact CD1-CD1 3.69Å; I112-L115 HydrophobicContact CG1-CD1 4.35Å; I112-L115 WeakPolarHBondContact O-CB 3.48Å; I112-L115 PolarHBondContact O-N 2.8Å; I112-L115 VanDerWaalsContact O-N 3.15Å; I113-L115 PolarHBondContact O-N 3.07Å; L115-S117 PolarHBondContact O-N 3.3Å; L115-S117 VanDerWaalsContact O-N 3.08Å; L115-L118 HydrophobicContact CB-CB 3.94Å; L115-L118 HydrophobicContact CB-CD2 4.37Å; L115-L118 HydrophobicContact CD1-CD2 4.15Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 3.48Å; L115-L138 WeakPolarHBondContact O-CD2 3.36Å
116	Q	92.3	Very high	94.2	Very high	107 Å²	107	43 Å²	43	50%	0.5	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.1	-175.2	-70	-67.9	-54.2	0	0	114.3	I113 T114 P139	I113-Q116 PolarHBondContact O-NE2 2.94Å; T114-Q116 PolarHBondContact O-N 3.3Å; Q116-P139 WeakPolarHBondContact O-CG 3.35Å
117	S	93.9	Very high	94.3	Very high	47 Å²	47	39.7 Å²	39.7	33%	0.329	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-10.8	171.4	-53.1	0	0	0	0	113.7	V93 L95 E96 L115 T119	V93-S117 WeakPolarHBondContact O-CB 3.31Å; V93-S117 PolarHBondContact O-OG 2.63Å; L95-S117 CarbonylContact O-C 3.18Å; E96-S117 WeakPolarHBondContact CA-O 3.47Å; L115-S117 PolarHBondContact O-N 3.3Å; L115-S117 VanDerWaalsContact O-N 3.08Å; S117-T119 PolarHBondContact O-N 3.49Å; S117-T119 VanDerWaalsContact O-N 3.15Å
118	L	95.9	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.			trans	-72.1	110.3	-166	-167.2	72	0	0	0	112.4	L95 L98 L115 L121 L138 P139 L140	L95-L118 HydrophobicContact CD2-CD1 4.33Å; L95-L118 HydrophobicContact CG-CD1 4.26Å; L95-L118 WeakPolarHBondContact O-CA 3.5Å; L95-L118 PolarHBondContact O-N 3.25Å; L98-L118 HydrophobicContact CB-CD1 3.77Å; L115-L118 HydrophobicContact CB-CB 3.94Å; L115-L118 HydrophobicContact CB-CD2 4.37Å; L115-L118 HydrophobicContact CD1-CD2 4.15Å; L115-L118 WeakPolarHBondContact O-CB 3.23Å; L115-L118 PolarHBondContact O-N 3.48Å; L118-L121 HydrophobicContact CD2-CB 4.24Å; L118-L121 HydrophobicContact CD2-CD1 4.47Å; L118-L121 HydrophobicContact CD2-CD2 4.35Å; L118-L138 HydrophobicContact CD2-CD1 4.07Å; L118-P139 CarbonylContact O-C 3.56Å; L118-L140 HydrophobicContact CD2-CD2 4.06Å; L118-L140 HydrophobicContact CG-CD2 3.99Å
119	T	95.9	Very high	94.4	Very high	37 Å²	37	37.1 Å²	37.1	23%	0.227	21%	0.208	C	C	.	.			trans	-101.9	-25	177.3	65.5	0	0	0	0	113	E96 S117 R141 V142	E96-T119 PolarHBondContact O-N 3.3Å; E96-T119 PolarHBondContact O-OG1 2.96Å; S117-T119 PolarHBondContact O-N 3.49Å; S117-T119 VanDerWaalsContact O-N 3.15Å; T119-R141 WeakPolarHBondContact O-CA 3.24Å; T119-R141 PolarHBondContact O-N 2.86Å; T119-V142 PolarHBondContact O-N 3.23Å
120	S	96.9	Very high	94.4	Very high	12 Å²	12	39.6 Å²	39.6	8%	0.084	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	119.4	-175.1	-172.5	0	0	0	0	111.9	E96 T97 L98	E96-S120 PolarHBondContact O-N 3.26Å; T97-S120 WeakPolarHBondContact CA-O 3.32Å; L98-S120 PolarHBondContact N-O 3.07Å
121	L	97.3	Very high	94.5	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.1	179.9	179.3	59	0	0	0	111.8	L98 L100 L118 L123 L135 L140 V142 L143 N144	L98-L121 HydrophobicContact CB-CD1 3.93Å; L98-L121 HydrophobicContact CD2-CD1 3.94Å; L98-L121 HydrophobicContact CG-CD1 3.88Å; L100-L121 HydrophobicContact CD1-CD1 4.4Å; L118-L121 HydrophobicContact CD2-CB 4.24Å; L118-L121 HydrophobicContact CD2-CD1 4.47Å; L118-L121 HydrophobicContact CD2-CD2 4.35Å; L121-L123 HydrophobicContact CD1-CD1 4.43Å; L121-L123 HydrophobicContact CD1-CD2 4.43Å; L121-L123 HydrophobicContact CD1-CG 4.06Å; L121-L123 HydrophobicContact CD2-CD1 3.77Å; L121-L123 HydrophobicContact CD2-CG 4.29Å; L121-L123 HydrophobicContact CG-CD1 3.97Å; L121-L123 HydrophobicContact CG-CG 3.98Å; L121-L135 HydrophobicContact CD2-CD1 3.62Å; L121-L140 HydrophobicContact CB-CD2 3.74Å; L121-V142 PolarHBondContact N-O 2.92Å; L121-L143 HydrophobicContact CB-CD1 4.17Å; L121-L143 HydrophobicContact CD2-CD1 4.01Å; L121-L143 HydrophobicContact CG-CD1 4.14Å; L121-N144 PolarHBondContact O-N 2.82Å
122	N	96.6	Very high	94.6	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.102	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.7	176.3	-175.7	6.7	0	0	0	111.3	L98 N99 L100 Y101 S124	L98-N122 PolarHBondContact O-N 3.24Å; N99-N122 PolarHBondContact OD1-ND2 3.03Å; L100-N122 CarbonylContact C-O 3.1Å; L100-N122 WeakPolarHBondContact CA-O 3.45Å; L100-N122 WeakPolarHBondContact CB-O 3.34Å; L100-N122 PolarHBondContact N-O 2.96Å; Y101-N122 PolarHBondContact N-O 3.26Å; N122-S124 WeakPolarHBondContact OD1-CB 3.21Å; N122-S124 PolarHBondContact OD1-N 3.23Å; N122-S124 VanDerWaalsContact OD1-N 3.08Å; N122-S124 PolarHBondContact OD1-OG 3.04Å
123	L	96.1	Very high	94.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.212	C	C	.	.			trans	-105.2	12.6	176.8	-70.6	161.8	0	0	0	112.5	V85 L100 I108 L121 N126 L128 L143 N144 N148	V85-L123 HydrophobicContact CG2-CD2 4.24Å; L100-L123 HydrophobicContact CB-CD2 4.24Å; L100-L123 HydrophobicContact CD1-CD2 3.72Å; I108-L123 HydrophobicContact CD1-CD1 3.62Å; I108-L123 HydrophobicContact CD1-CD2 4.42Å; L121-L123 HydrophobicContact CD1-CD1 4.43Å; L121-L123 HydrophobicContact CD1-CD2 4.43Å; L121-L123 HydrophobicContact CD1-CG 4.06Å; L121-L123 HydrophobicContact CD2-CD1 3.77Å; L121-L123 HydrophobicContact CD2-CG 4.29Å; L121-L123 HydrophobicContact CG-CD1 3.97Å; L121-L123 HydrophobicContact CG-CG 3.98Å; L123-N126 WeakPolarHBondContact O-CB 3.13Å; L123-N126 PolarHBondContact O-ND2 3.1Å; L123-L128 HydrophobicContact CB-CD1 4Å; L123-L128 HydrophobicContact CD1-CD1 4.09Å; L123-L128 HydrophobicContact CD2-CD1 4.4Å; L123-L128 HydrophobicContact CG-CD1 4.4Å; L123-L143 HydrophobicContact CD1-CD1 4.47Å; L123-N144 WeakPolarHBondContact CA-O 3.48Å; L123-N144 PolarHBondContact N-O 3.37Å; L123-N148 PolarHBondContact O-ND2 3.5Å
124	S	96.4	Very high	94.4	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.042	21%	0.205	C	C	.	.			trans	-69.1	152.5	-170.2	59.6	0	0	0	0	114.8	Y101 H102 N122 N126 N144 S146	Y101-S124 CarbonylContact C-O 3.37Å; Y101-S124 WeakPolarHBondContact CA-O 3.49Å; Y101-S124 WeakPolarHBondContact CD2-O 3.48Å; Y101-S124 WeakPolarHBondContact CD2-OG 3.44Å; H102-S124 PolarHBondContact N-O 3.17Å; N122-S124 WeakPolarHBondContact OD1-CB 3.21Å; N122-S124 PolarHBondContact OD1-N 3.23Å; N122-S124 VanDerWaalsContact OD1-N 3.08Å; N122-S124 PolarHBondContact OD1-OG 3.04Å; S124-N126 PolarHBondContact O-ND2 3.32Å; S124-N144 WeakPolarHBondContact CB-OD1 3.2Å; S124-N144 PolarHBondContact N-O 3.02Å; S124-S146 CarbonylContact C-O 3.37Å; S124-S146 WeakPolarHBondContact CA-O 3.24Å; S124-S146 WeakPolarHBondContact CB-O 3.25Å; S124-S146 WeakPolarHBondContact CB-OG 3.42Å
125	R	95.4	Very high	94.5	Very high	106 Å²	106	31.6 Å²	31.6	40%	0.4	19%	0.186	S	C	.	.	S	Bend	trans	55.8	55.5	-172.8	-63.7	-168.9	-175.9	-173.7	3.5	113	Y101 H102 N103 S146 N147	Y101-R125 HydrophobicContact CD2-CB 4.29Å; Y101-R125 HydrophobicContact CD2-CG 4.45Å; Y101-R125 HydrophobicContact CE2-CB 4.01Å; Y101-R125 HydrophobicContact CE2-CG 3.78Å; Y101-R125 PolarHBondContact OH-NH1 3.45Å; H102-R125 VanDerWaalsContact CA-O 3.3Å; H102-R125 WeakPolarHBondContact CA-O 3.45Å; H102-R125 HydrophobicContact CB-CB 4.28Å; N103-R125 PolarHBondContact N-O 2.78Å; R125-S146 PolarHBondContact N-O 2.89Å; R125-N147 CarbonylContact C-O 3.51Å; R125-N147 WeakPolarHBondContact CA-O 3.42Å; R125-N147 HydrophobicContact CB-CB 4.27Å; R125-N147 HydrophobicContact CG-CB 3.63Å; R125-N147 PolarHBondContact N-O 2.95Å
126	N	96.7	Very high	94.3	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.064	19%	0.187	C	C	.	.	S	Bend	trans	-123.3	-158.8	176.2	-85.5	-70.9	0	0	0	111.3	L100 N103 C104 I105 L123 S124 N147 N148	L100-N126 PolarHBondContact O-ND2 3.03Å; L100-N126 VanDerWaalsContact O-ND2 3.09Å; N103-N126 WeakPolarHBondContact CA-OD1 3.36Å; N103-N126 WeakPolarHBondContact CB-OD1 3.5Å; N103-N126 PolarHBondContact N-OD1 3.5Å; N103-N126 PolarHBondContact O-OD1 3.21Å; C104-N126 PolarHBondContact N-OD1 2.96Å; I105-N126 HydrophobicContact CB-CB 4.16Å; I105-N126 WeakPolarHBondContact CB-OD1 3.35Å; I105-N126 WeakPolarHBondContact CG1-OD1 3.41Å; I105-N126 PolarHBondContact N-OD1 3.4Å; L123-N126 WeakPolarHBondContact O-CB 3.13Å; L123-N126 PolarHBondContact O-ND2 3.1Å; S124-N126 PolarHBondContact O-ND2 3.32Å; N126-N147 PolarHBondContact N-O 3.21Å; N126-N147 VanDerWaalsContact N-O 3.12Å; N126-N148 VanDerWaalsContact CA-OD1 3.29Å; N126-N148 WeakPolarHBondContact CA-OD1 3.46Å; N126-N148 WeakPolarHBondContact CB-OD1 3.44Å
127	Q	96.1	Very high	94.1	Very high	64 Å²	64	28.5 Å²	28.5	30%	0.299	18%	0.182	S	C	.	.			trans	-130.2	28.9	-177.2	-57.6	-174.6	36.3	0	0	112.2	I105 G129 N148	I105-Q127 CarbonylContact O-C 3.38Å; I105-Q127 VanDerWaalsContact O-CA 3.27Å; I105-Q127 WeakPolarHBondContact O-CA 3.42Å; I105-Q127 PolarHBondContact O-N 2.78Å; Q127-G129 PolarHBondContact O-N 3.48Å; Q127-N148 PolarHBondContact N-OD1 2.82Å
128	L	95.4	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.168	C	C	.	.			trans	-64.8	127.3	179.9	-63.4	170.2	0	0	0	110.7	I105 I108 L123 L131 N148 K149 L150	I105-L128 HydrophobicContact CG2-CD2 3.76Å; I105-L128 PolarHBondContact O-N 2.54Å; I105-L128 VanDerWaalsContact O-N 3.11Å; I108-L128 HydrophobicContact CD1-CD1 4.12Å; I108-L128 HydrophobicContact CD1-CD2 4.03Å; I108-L128 HydrophobicContact CG1-CD2 3.81Å; L123-L128 HydrophobicContact CB-CD1 4Å; L123-L128 HydrophobicContact CD1-CD1 4.09Å; L123-L128 HydrophobicContact CD2-CD1 4.4Å; L123-L128 HydrophobicContact CG-CD1 4.4Å; L128-L131 HydrophobicContact CD1-CD2 4.03Å; L128-N148 HydrophobicContact CB-CB 4.17Å; L128-N148 WeakPolarHBondContact CB-OD1 3.22Å; L128-N148 WeakPolarHBondContact CG-OD1 3.45Å; L128-N148 PolarHBondContact N-OD1 3.23Å; L128-K149 CarbonylContact O-C 3.59Å; L128-K149 VanDerWaalsContact O-CA 3.25Å; L128-K149 WeakPolarHBondContact O-CA 3.4Å; L128-K149 WeakPolarHBondContact O-CB 3.42Å; L128-K149 PolarHBondContact O-N 2.82Å; L128-L150 HydrophobicContact CB-CD2 3.94Å; L128-L150 PolarHBondContact O-N 2.9Å
129	G	92.4	Very high	94	Very high	39 Å²	39	29.5 Å²	29.5	40%	0.402	19%	0.187	S	C	.	.	S	Bend	trans	-88.9	-24.7	173	0	0	0	0	0	114.1	Q127	Q127-G129 PolarHBondContact O-N 3.48Å
130	S	93.6	Very high	94	Very high	79 Å²	79	27.8 Å²	27.8	55%	0.552	18%	0.177	S	C	*	.			trans	-153	167.1	177.5	57.7	0	0	0	0	110.4	L150	S130-L150 VanDerWaalsContact C-CD2 3.5Å
131	L	93.7	Very high	94	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.042	19%	0.193	C	C	.	.			trans	-107.8	134.7	166.9	-59.2	177.4	0	0	0	108.4	I108 L128 L135 L143 L150 L153 P154	I108-L131 HydrophobicContact CD1-CD2 3.94Å; L128-L131 HydrophobicContact CD1-CD2 4.03Å; L131-L135 HydrophobicContact CB-CD2 4.28Å; L131-L135 HydrophobicContact CD1-CD2 4.34Å; L131-L135 HydrophobicContact CD2-CD2 4.25Å; L131-L143 HydrophobicContact CD1-CD2 4.49Å; L131-L150 HydrophobicContact CD1-CD1 4.18Å; L131-L150 HydrophobicContact CD2-CD1 4.37Å; L131-L150 HydrophobicContact CD2-CD2 4.14Å; L131-L150 HydrophobicContact CG-CD1 4.08Å; L131-L150 HydrophobicContact CG-CD2 3.98Å; L131-L153 HydrophobicContact CD1-CD2 4.07Å; L131-P154 HydrophobicContact CB-CG 4.42Å
132	P	93	Very high	94	Very high	24 Å²	24	33.3 Å²	33.3	16%	0.156	20%	0.197	C	C	.	.			trans	-71.5	150.3	179.3	30.4	-34.1	0	0	0	111	I108 C134 L135	I108-P132 HydrophobicContact CB-CG 3.99Å; I108-P132 HydrophobicContact CG2-CG 4.18Å; P132-C134 PolarHBondContact O-N 3.31Å; P132-L135 HydrophobicContact CG-CB 4.21Å; P132-L135 VanDerWaalsContact O-CB 3.29Å; P132-L135 WeakPolarHBondContact O-CB 3.5Å; P132-L135 PolarHBondContact O-N 3.46Å; P132-L135 VanDerWaalsContact O-N 3.16Å
133	S	90.7	Very high	94	Very high	64 Å²	64	32.4 Å²	32.4	45%	0.448	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-60.5	-33.1	175.3	46.3	0	0	0	0	112.3	L135 C136 S156	S133-L135 PolarHBondContact O-N 2.87Å; S133-C136 VanDerWaalsContact O-CB 3.24Å; S133-C136 WeakPolarHBondContact O-CB 3.32Å; S133-C136 PolarHBondContact O-N 2.98Å; S133-S156 WeakPolarHBondContact CB-OG 3.09Å
134	C	90.3	Very high	94	Very high	34 Å²	34	33.8 Å²	33.8	23%	0.23	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.9	-27.9	176.1	-62.9	0	0	0	0	113.8	D110 I113 P132 C136 G137	D110-C134 HydrophobicContact CB-CB 4.28Å; I113-C134 HydrophobicContact CB-CB 4.45Å; P132-C134 PolarHBondContact O-N 3.31Å; C134-C136 PolarHBondContact O-N 3.19Å; C134-G137 PolarHBondContact O-N 3.47Å
135	L	93.1	Very high	94	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.9	-27.7	173.7	-169.3	71.5	0	0	0	112.2	I112 L121 L131 P132 S133 G137 L138 L140 L143	I112-L135 HydrophobicContact CG1-CD1 4.16Å; I112-L135 HydrophobicContact CG2-CD1 4.18Å; L121-L135 HydrophobicContact CD2-CD1 3.62Å; L131-L135 HydrophobicContact CB-CD2 4.28Å; L131-L135 HydrophobicContact CD1-CD2 4.34Å; L131-L135 HydrophobicContact CD2-CD2 4.25Å; P132-L135 HydrophobicContact CG-CB 4.21Å; P132-L135 VanDerWaalsContact O-CB 3.29Å; P132-L135 WeakPolarHBondContact O-CB 3.5Å; P132-L135 PolarHBondContact O-N 3.46Å; P132-L135 VanDerWaalsContact O-N 3.16Å; S133-L135 PolarHBondContact O-N 2.87Å; L135-G137 PolarHBondContact O-N 2.81Å; L135-L138 HydrophobicContact CD1-CD1 4.14Å; L135-L138 PolarHBondContact O-N 3.28Å; L135-L140 HydrophobicContact CD1-CD1 4.37Å; L135-L140 HydrophobicContact CG-CD1 4.28Å; L135-L143 HydrophobicContact CD2-CD1 4.4Å; L135-L143 HydrophobicContact CD2-CD2 4.24Å
136	C	89.3	Confident	94.1	Very high	3 Å²	3	29 Å²	29	2%	0.02	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-80.2	-5.4	-175.2	-51.5	0	0	0	0	113.4	S133 C134 S156 Q159 L160	S133-C136 VanDerWaalsContact O-CB 3.24Å; S133-C136 WeakPolarHBondContact O-CB 3.32Å; S133-C136 PolarHBondContact O-N 2.98Å; C134-C136 PolarHBondContact O-N 3.19Å; C136-S156 VanDerWaalsContact CB-O 3.22Å; C136-S156 WeakPolarHBondContact CB-O 3.39Å; C136-S156 VanDerWaalsContact SG-C 3.58Å; C136-Q159 HydrophobicContact CB-CB 4.42Å; C136-Q159 WeakPolarHBondContact O-CB 3.43Å; C136-L160 HydrophobicContact CB-CG 4.33Å; C136-L160 WeakPolarHBondContact O-CD2 3.22Å
137	G	88.3	Confident	94	Very high	39 Å²	39	31.5 Å²	31.5	40%	0.402	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-92	7.5	173.3	0	0	0	0	0	114.6	C134 L135	C134-G137 PolarHBondContact O-N 3.47Å; L135-G137 PolarHBondContact O-N 2.81Å
138	L	92.9	Very high	94.1	Very high	5 Å²	5	29 Å²	29	3%	0.026	19%	0.185	C	C	.	.	S	Bend	trans	-97.3	149.4	179.4	-65.1	-178.8	0	0	0	111.7	I112 L115 L118 L135 L140 L160	I112-L138 HydrophobicContact CG1-CD1 4.2Å; L115-L138 WeakPolarHBondContact O-CD2 3.36Å; L118-L138 HydrophobicContact CD2-CD1 4.07Å; L135-L138 HydrophobicContact CD1-CD1 4.14Å; L135-L138 PolarHBondContact O-N 3.28Å; L138-L140 HydrophobicContact CB-CD1 4.3Å; L138-L140 HydrophobicContact CB-CG 3.98Å; L138-L140 PolarHBondContact O-N 3.04Å; L138-L160 WeakPolarHBondContact O-CD2 3.49Å
139	P	93.9	Very high	94.1	Very high	63 Å²	63	34.2 Å²	34.2	41%	0.409	21%	0.208	S	C	.	.			trans	-79	43.2	178.2	33.9	-35	0	0	0	113.3	Q116 L118 R141	Q116-P139 WeakPolarHBondContact O-CG 3.35Å; L118-P139 CarbonylContact O-C 3.56Å; P139-R141 PolarHBondContact O-N 3.17Å
140	L	95.9	Very high	94.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	19%	0.189	C	C	.	.			trans	-60.8	129.8	-179.7	-70.1	168.3	0	0	0	111.2	L118 L121 L135 L138 L143 L160 G162 L163	L118-L140 HydrophobicContact CD2-CD2 4.06Å; L118-L140 HydrophobicContact CG-CD2 3.99Å; L121-L140 HydrophobicContact CB-CD2 3.74Å; L135-L140 HydrophobicContact CD1-CD1 4.37Å; L135-L140 HydrophobicContact CG-CD1 4.28Å; L138-L140 HydrophobicContact CB-CD1 4.3Å; L138-L140 HydrophobicContact CB-CG 3.98Å; L138-L140 PolarHBondContact O-N 3.04Å; L140-L143 HydrophobicContact CD1-CD1 4.46Å; L140-L143 HydrophobicContact CD1-CD2 4.49Å; L140-L160 HydrophobicContact CB-CD2 4.26Å; L140-L160 HydrophobicContact CD1-CD2 4.3Å; L140-G162 CarbonylContact O-C 3.07Å; L140-L163 HydrophobicContact CB-CD1 4.06Å; L140-L163 WeakPolarHBondContact O-CA 3.37Å; L140-L163 PolarHBondContact O-N 3.37Å
141	R	96.2	Very high	94.3	Very high	112 Å²	112	32 Å²	32	42%	0.423	18%	0.183	S	C	.	.	S	Bend	trans	-98	-34.7	169.4	-61.6	-175.9	-176.8	-164.7	1.7	111.6	T119 P139 M164 E165	T119-R141 WeakPolarHBondContact O-CA 3.24Å; T119-R141 PolarHBondContact O-N 2.86Å; P139-R141 PolarHBondContact O-N 3.17Å; R141-M164 PolarHBondContact O-N 3.3Å; R141-E165 PolarHBondContact O-N 3.06Å
142	V	97.1	Very high	94.3	Very high	19 Å²	19	34.6 Å²	34.6	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.8	179.5	-179	0	0	0	0	109.7	T119 L121 E165 F389 I393	T119-V142 PolarHBondContact O-N 3.23Å; L121-V142 PolarHBondContact N-O 2.92Å; V142-E165 HydrophobicContact CG1-CB 4.4Å; V142-E165 HydrophobicContact CG2-CB 4.36Å; V142-F389 HydrophobicContact CG1-CE1 4.1Å; V142-F389 HydrophobicContact CG1-CZ 4.06Å; V142-I393 HydrophobicContact CG2-CD1 4.47Å
143	L	97.4	Very high	94.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.1	173.8	178	58.1	0	0	0	110.1	L121 L123 L131 L135 L140 L160 L163 E165 L166 D167	L121-L143 HydrophobicContact CB-CD1 4.17Å; L121-L143 HydrophobicContact CD2-CD1 4.01Å; L121-L143 HydrophobicContact CG-CD1 4.14Å; L123-L143 HydrophobicContact CD1-CD1 4.47Å; L131-L143 HydrophobicContact CD1-CD2 4.49Å; L135-L143 HydrophobicContact CD2-CD1 4.4Å; L135-L143 HydrophobicContact CD2-CD2 4.24Å; L140-L143 HydrophobicContact CD1-CD1 4.46Å; L140-L143 HydrophobicContact CD1-CD2 4.49Å; L143-L160 HydrophobicContact CD2-CD1 4.39Å; L143-L163 HydrophobicContact CB-CD1 3.84Å; L143-E165 PolarHBondContact N-O 2.78Å; L143-L166 HydrophobicContact CB-CD1 4.12Å; L143-L166 HydrophobicContact CD2-CD1 3.98Å; L143-L166 HydrophobicContact CG-CD1 4.06Å; L143-L166 WeakPolarHBondContact O-CA 3.2Å; L143-D167 PolarHBondContact O-N 3.43Å
144	N	97	Very high	94.5	Very high	30 Å²	30	32 Å²	32	16%	0.16	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110.1	173	-163.9	-39.1	0	0	0	110.6	L121 L123 S124 S146 D167	L121-N144 PolarHBondContact O-N 2.82Å; L123-N144 WeakPolarHBondContact CA-O 3.48Å; L123-N144 PolarHBondContact N-O 3.37Å; S124-N144 WeakPolarHBondContact CB-OD1 3.2Å; S124-N144 PolarHBondContact N-O 3.02Å; N144-S146 VanDerWaalsContact OD1-CB 3.28Å; N144-S146 WeakPolarHBondContact OD1-CB 3.38Å; N144-S146 PolarHBondContact OD1-N 3.44Å; N144-S146 PolarHBondContact OD1-OG 2.92Å; N144-D167 CarbonylContact C-O 3.56Å; N144-D167 HydrophobicContact CB-CB 4.33Å; N144-D167 WeakPolarHBondContact ND2-CB 3.4Å; N144-D167 PolarHBondContact ND2-OD2 3.48Å
145	A	96.3	Very high	94.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.			trans	-118.3	25.6	173.8	0	0	0	0	0	112	N148 L150 D167 I168 N171	A145-N148 PolarHBondContact O-ND2 3.23Å; A145-L150 HydrophobicContact CB-CD1 4.01Å; A145-D167 PolarHBondContact N-O 3.21Å; A145-I168 HydrophobicContact CB-CG2 4.48Å; A145-N171 PolarHBondContact O-ND2 3.1Å
146	S	96.5	Very high	94.4	Very high	11 Å²	11	38 Å²	38	8%	0.077	21%	0.211	C	C	.	.			trans	-62	156.6	178.5	63	0	0	0	0	113.6	S124 R125 N144 N148 D167 S169	S124-S146 CarbonylContact C-O 3.37Å; S124-S146 WeakPolarHBondContact CA-O 3.24Å; S124-S146 WeakPolarHBondContact CB-O 3.25Å; S124-S146 WeakPolarHBondContact CB-OG 3.42Å; R125-S146 PolarHBondContact N-O 2.89Å; N144-S146 VanDerWaalsContact OD1-CB 3.28Å; N144-S146 WeakPolarHBondContact OD1-CB 3.38Å; N144-S146 PolarHBondContact OD1-N 3.44Å; N144-S146 PolarHBondContact OD1-OG 2.92Å; S146-N148 PolarHBondContact O-ND2 2.93Å; S146-D167 PolarHBondContact N-O 3.35Å; S146-S169 CarbonylContact C-O 3.54Å; S146-S169 WeakPolarHBondContact CA-O 3.36Å; S146-S169 VanDerWaalsContact CB-O 3.31Å; S146-S169 WeakPolarHBondContact CB-O 3.37Å; S146-S169 WeakPolarHBondContact CB-OG 3.27Å
147	N	96	Very high	94.6	Very high	65 Å²	65	37.9 Å²	37.9	35%	0.348	21%	0.21	S	C	.	.	S	Bend	trans	52.3	55.6	-176.2	-70.3	122.9	0	0	0	112.7	R125 N126 S169 C170	R125-N147 CarbonylContact C-O 3.51Å; R125-N147 WeakPolarHBondContact CA-O 3.42Å; R125-N147 HydrophobicContact CB-CB 4.27Å; R125-N147 HydrophobicContact CG-CB 3.63Å; R125-N147 PolarHBondContact N-O 2.95Å; N126-N147 PolarHBondContact N-O 3.21Å; N126-N147 VanDerWaalsContact N-O 3.12Å; N147-S169 PolarHBondContact N-O 3.38Å; N147-C170 VanDerWaalsContact CA-O 3.24Å; N147-C170 WeakPolarHBondContact CA-O 3.36Å; N147-C170 HydrophobicContact CB-CB 4.47Å; N147-C170 PolarHBondContact N-O 2.78Å; N147-C170 WeakPolarHBondContact ND2-CB 3.29Å
148	N	96.5	Very high	94.6	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.059	19%	0.192	C	C	.	.	S	Bend	trans	-123.2	-157.7	172.4	-86.5	-78.2	0	0	0	109.5	L123 N126 Q127 L128 A145 S146 L150 C170 N171	L123-N148 PolarHBondContact O-ND2 3.5Å; N126-N148 VanDerWaalsContact CA-OD1 3.29Å; N126-N148 WeakPolarHBondContact CA-OD1 3.46Å; N126-N148 WeakPolarHBondContact CB-OD1 3.44Å; Q127-N148 PolarHBondContact N-OD1 2.82Å; L128-N148 HydrophobicContact CB-CB 4.17Å; L128-N148 WeakPolarHBondContact CB-OD1 3.22Å; L128-N148 WeakPolarHBondContact CG-OD1 3.45Å; L128-N148 PolarHBondContact N-OD1 3.23Å; A145-N148 PolarHBondContact O-ND2 3.23Å; S146-N148 PolarHBondContact O-ND2 2.93Å; N148-L150 HydrophobicContact CB-CG 4.19Å; N148-C170 PolarHBondContact N-O 2.85Å; N148-N171 WeakPolarHBondContact CA-OD1 3.49Å; N148-N171 WeakPolarHBondContact CB-OD1 3.45Å; N148-N171 PolarHBondContact N-OD1 3.45Å; N148-N171 PolarHBondContact O-OD1 3.02Å
149	K	95.6	Very high	94.6	Very high	110 Å²	110	41 Å²	41	48%	0.478	22%	0.215	S	C	.	.			trans	-125.6	33.3	176.8	-59.3	-166	170.7	-150	0	111.9	L128 V151 N171	L128-K149 CarbonylContact O-C 3.59Å; L128-K149 VanDerWaalsContact O-CA 3.25Å; L128-K149 WeakPolarHBondContact O-CA 3.4Å; L128-K149 WeakPolarHBondContact O-CB 3.42Å; L128-K149 PolarHBondContact O-N 2.82Å; K149-V151 PolarHBondContact O-N 2.94Å; K149-N171 PolarHBondContact N-OD1 3.22Å
150	L	95.8	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.			trans	-66.2	123.6	-178.8	-58.6	177.3	0	0	0	109.5	L128 S130 L131 A145 N148 N171 E172 I173	L128-L150 HydrophobicContact CB-CD2 3.94Å; L128-L150 PolarHBondContact O-N 2.9Å; S130-L150 VanDerWaalsContact C-CD2 3.5Å; L131-L150 HydrophobicContact CD1-CD1 4.18Å; L131-L150 HydrophobicContact CD2-CD1 4.37Å; L131-L150 HydrophobicContact CD2-CD2 4.14Å; L131-L150 HydrophobicContact CG-CD1 4.08Å; L131-L150 HydrophobicContact CG-CD2 3.98Å; A145-L150 HydrophobicContact CB-CD1 4.01Å; N148-L150 HydrophobicContact CB-CG 4.19Å; L150-N171 HydrophobicContact CB-CB 4.21Å; L150-N171 WeakPolarHBondContact CB-OD1 3.47Å; L150-N171 WeakPolarHBondContact CG-OD1 3.46Å; L150-N171 PolarHBondContact N-OD1 3.14Å; L150-E172 CarbonylContact O-C 3.57Å; L150-E172 WeakPolarHBondContact O-CA 3.17Å; L150-E172 PolarHBondContact O-N 2.91Å; L150-I173 HydrophobicContact CB-CD1 4.18Å; L150-I173 HydrophobicContact CB-CG1 4Å; L150-I173 WeakPolarHBondContact O-CG1 3.45Å; L150-I173 PolarHBondContact O-N 3.11Å; L150-I173 VanDerWaalsContact O-N 3.09Å
151	V	94.4	Very high	94.3	Very high	72 Å²	72	44.1 Å²	44.1	44%	0.436	22%	0.224	S	C	.	.	S	Bend	trans	-92.1	-24.4	177.8	-177.5	0	0	0	0	111.9	K149 I173 T174	K149-V151 PolarHBondContact O-N 2.94Å; V151-I173 WeakPolarHBondContact O-CA 3.48Å; V151-T174 PolarHBondContact O-N 3.19Å; V151-T174 VanDerWaalsContact O-N 3.13Å; V151-T174 PolarHBondContact O-OG1 3.24Å
152	S	93.9	Very high	94.1	Very high	61 Å²	61	40.4 Å²	40.4	43%	0.427	22%	0.22	S	C	.	.			trans	-156.2	167.1	177.2	60.1	0	0	0	0	110.7
153	L	94.1	Very high	94	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	22%	0.215	C	C	.	.			trans	-100.2	148	165.1	-63.6	-178.5	0	0	0	110.2	L131 I157 L166 I168 I173 L176 P177 I180	L131-L153 HydrophobicContact CD1-CD2 4.07Å; L153-I157 HydrophobicContact CD1-CG1 4.48Å; L153-L166 HydrophobicContact CD1-CD2 4.42Å; L153-I168 HydrophobicContact CD1-CD1 3.86Å; L153-I168 HydrophobicContact CD2-CD1 4.43Å; L153-I168 HydrophobicContact CD2-CG2 4.22Å; L153-I168 HydrophobicContact CG-CD1 4.32Å; L153-I173 HydrophobicContact CD2-CD1 4.33Å; L153-I173 HydrophobicContact CG-CD1 4.47Å; L153-L176 HydrophobicContact CD1-CD2 4.27Å; L153-P177 HydrophobicContact CB-CG 4.07Å; L153-I180 HydrophobicContact CD1-CD1 4.43Å
154	P	93.6	Very high	94	Very high	25 Å²	25	42.8 Å²	42.8	16%	0.162	23%	0.231	C	C	.	.			trans	-64.6	144.4	172.4	28.9	-35.4	0	0	0	110.7	L131 S156 I157	L131-P154 HydrophobicContact CB-CG 4.42Å; P154-S156 PolarHBondContact O-N 2.88Å; P154-I157 VanDerWaalsContact O-CB 3.3Å; P154-I157 WeakPolarHBondContact O-CB 3.26Å; P154-I157 VanDerWaalsContact O-CG2 3.29Å; P154-I157 WeakPolarHBondContact O-CG2 3.28Å; P154-I157 PolarHBondContact O-N 2.89Å
155	E	90.3	Very high	94	Very high	127 Å²	127	43.5 Å²	43.5	59%	0.593	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-59.9	-29.8	175	-66.4	-152.6	146.7	0	0	112.7	I157 P177 H179	E155-I157 PolarHBondContact O-N 3.03Å; E155-P177 HydrophobicContact CG-CB 4.4Å; E155-H179 WeakPolarHBondContact O-CB 3.28Å; E155-H179 IonicContact OE1-ND1 2.62Å; E155-H179 IonicContact OE2-CE1 2.74Å; E155-H179 PolarHBondContact OE2-CE1 2.68Å; E155-H179 IonicContact OE2-ND1 2.68Å
156	S	92.4	Very high	94	Very high	34 Å²	34	43.6 Å²	43.6	24%	0.238	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-52.5	-20.4	171.1	-58.4	0	0	0	0	114.2	S133 C136 P154 G158 Q159	S133-S156 WeakPolarHBondContact CB-OG 3.09Å; C136-S156 VanDerWaalsContact CB-O 3.22Å; C136-S156 WeakPolarHBondContact CB-O 3.39Å; C136-S156 VanDerWaalsContact SG-C 3.58Å; P154-S156 PolarHBondContact O-N 2.88Å; S156-G158 PolarHBondContact O-N 3.02Å; S156-Q159 VanDerWaalsContact O-CB 3.23Å; S156-Q159 WeakPolarHBondContact O-CB 3.16Å; S156-Q159 WeakPolarHBondContact O-CG 3.49Å; S156-Q159 PolarHBondContact O-N 2.96Å; S156-Q159 PolarHBondContact O-OE1 2.6Å
157	I	93.3	Very high	94	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-50.6	-33.8	-178.1	-162.9	74.8	0	0	0	112.6	L153 P154 E155 Q159 L160 P177 I180 L183	L153-I157 HydrophobicContact CD1-CG1 4.48Å; P154-I157 VanDerWaalsContact O-CB 3.3Å; P154-I157 WeakPolarHBondContact O-CB 3.26Å; P154-I157 VanDerWaalsContact O-CG2 3.29Å; P154-I157 WeakPolarHBondContact O-CG2 3.28Å; P154-I157 PolarHBondContact O-N 2.89Å; E155-I157 PolarHBondContact O-N 3.03Å; I157-Q159 PolarHBondContact O-N 2.74Å; I157-L160 HydrophobicContact CD1-CD1 3.72Å; I157-L160 HydrophobicContact CG1-CD1 4.47Å; I157-L160 PolarHBondContact O-N 3.15Å; I157-L160 VanDerWaalsContact O-N 3.13Å; I157-P177 HydrophobicContact CG2-CG 3.82Å; I157-I180 HydrophobicContact CG1-CD1 4.39Å; I157-I180 HydrophobicContact CG2-CD1 4.12Å; I157-L183 WeakPolarHBondContact O-CD2 3.21Å
158	G	88.4	Confident	94.1	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.021	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-65.8	-3.1	176.8	0	0	0	0	0	116.1	S156 H161 H179 R182	S156-G158 PolarHBondContact O-N 3.02Å; G158-H161 PolarHBondContact O-CE1 3.42Å; G158-H161 PolarHBondContact O-ND1 3Å; G158-H179 VanDerWaalsContact CA-O 3.28Å; G158-H179 WeakPolarHBondContact CA-O 3.46Å; G158-R182 WeakPolarHBondContact O-CB 3.16Å
159	Q	92.8	Very high	94.1	Very high	108 Å²	108	41.5 Å²	41.5	51%	0.505	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-82.8	-17.2	172.4	-64.5	173.5	-50.5	0	0	112.8	C136 S156 I157 H161	C136-Q159 HydrophobicContact CB-CB 4.42Å; C136-Q159 WeakPolarHBondContact O-CB 3.43Å; S156-Q159 VanDerWaalsContact O-CB 3.23Å; S156-Q159 WeakPolarHBondContact O-CB 3.16Å; S156-Q159 WeakPolarHBondContact O-CG 3.49Å; S156-Q159 PolarHBondContact O-N 2.96Å; S156-Q159 PolarHBondContact O-OE1 2.6Å; I157-Q159 PolarHBondContact O-N 2.74Å; Q159-H161 PolarHBondContact O-CD2 2.7Å; Q159-H161 PolarHBondContact O-N 2.89Å
160	L	92.9	Very high	94.1	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.211	C	C	.	.			trans	-75	60.8	178.7	-65.2	176.3	0	0	0	111.8	C136 L138 L140 L143 I157 G162 L163 L183	C136-L160 HydrophobicContact CB-CG 4.33Å; C136-L160 WeakPolarHBondContact O-CD2 3.22Å; L138-L160 WeakPolarHBondContact O-CD2 3.49Å; L140-L160 HydrophobicContact CB-CD2 4.26Å; L140-L160 HydrophobicContact CD1-CD2 4.3Å; L143-L160 HydrophobicContact CD2-CD1 4.39Å; I157-L160 HydrophobicContact CD1-CD1 3.72Å; I157-L160 HydrophobicContact CG1-CD1 4.47Å; I157-L160 PolarHBondContact O-N 3.15Å; I157-L160 VanDerWaalsContact O-N 3.13Å; L160-G162 PolarHBondContact O-N 3.24Å; L160-L163 HydrophobicContact CB-CB 3.96Å; L160-L163 HydrophobicContact CB-CD2 4.4Å; L160-L163 HydrophobicContact CD1-CD2 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.28Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 2.89Å; L160-L183 HydrophobicContact CB-CD2 3.91Å; L160-L183 WeakPolarHBondContact O-CD2 3.08Å
161	H	89.4	Confident	94.1	Very high	125 Å²	125	38.5 Å²	38.5	58%	0.579	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.6	-170.1	-59.2	-42.1	0	0	0	114.4	G158 Q159 A185	G158-H161 PolarHBondContact O-CE1 3.42Å; G158-H161 PolarHBondContact O-ND1 3Å; Q159-H161 PolarHBondContact O-CD2 2.7Å; Q159-H161 PolarHBondContact O-N 2.89Å; H161-A185 WeakPolarHBondContact O-CB 3.4Å
162	G	91.4	Very high	94.2	Very high	34 Å²	34	39.3 Å²	39.3	35%	0.351	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.6	176.2	0	0	0	0	0	116	L140 L160 M164 A185	L140-G162 CarbonylContact O-C 3.07Å; L160-G162 PolarHBondContact O-N 3.24Å; G162-M164 PolarHBondContact O-N 3.44Å; G162-A185 VanDerWaalsContact C-CB 3.5Å
163	L	96.4	Very high	94.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.			trans	-69.6	117.5	-174.7	-166.8	72.1	0	0	0	111.4	L140 L143 L160 L166 L183 A185 L186	L140-L163 HydrophobicContact CB-CD1 4.06Å; L140-L163 WeakPolarHBondContact O-CA 3.37Å; L140-L163 PolarHBondContact O-N 3.37Å; L143-L163 HydrophobicContact CB-CD1 3.84Å; L160-L163 HydrophobicContact CB-CB 3.96Å; L160-L163 HydrophobicContact CB-CD2 4.4Å; L160-L163 HydrophobicContact CD1-CD2 4.06Å; L160-L163 VanDerWaalsContact O-CB 3.28Å; L160-L163 WeakPolarHBondContact O-CB 3.36Å; L160-L163 PolarHBondContact O-N 2.89Å; L163-L166 HydrophobicContact CD2-CB 3.97Å; L163-L166 HydrophobicContact CD2-CD1 4.29Å; L163-L166 HydrophobicContact CD2-CD2 4.31Å; L163-L166 HydrophobicContact CD2-CG 4.42Å; L163-L183 HydrophobicContact CB-CD2 4.38Å; L163-L183 HydrophobicContact CD2-CD1 4.26Å; L163-A185 CarbonylContact O-C 3.48Å; L163-A185 WeakPolarHBondContact O-CB 3.43Å; L163-L186 HydrophobicContact CD2-CD1 4.19Å; L163-L186 HydrophobicContact CG-CD1 4.11Å; L163-L186 WeakPolarHBondContact O-CA 3.25Å; L163-L186 PolarHBondContact O-N 3.2Å
164	M	96.1	Very high	94.2	Very high	70 Å²	70	39.5 Å²	39.5	35%	0.345	21%	0.212	S	C	.	.			trans	-96.8	-34.7	179.7	-61.2	-178.8	-177.3	0	0	111.9	R141 G162 A185 R187 E188	R141-M164 PolarHBondContact O-N 3.3Å; G162-M164 PolarHBondContact O-N 3.44Å; M164-A185 HydrophobicContact CG-CB 4.35Å; M164-R187 PolarHBondContact O-N 2.9Å; M164-E188 PolarHBondContact O-N 3.38Å
165	E	96.9	Very high	94.2	Very high	45 Å²	45	40.8 Å²	40.8	21%	0.21	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	127.2	-177.5	-58.2	-171	-149.4	0	0	111.9	R141 V142 L143 E188 F389	R141-E165 PolarHBondContact O-N 3.06Å; V142-E165 HydrophobicContact CG1-CB 4.4Å; V142-E165 HydrophobicContact CG2-CB 4.36Å; L143-E165 PolarHBondContact N-O 2.78Å; E165-E188 WeakPolarHBondContact CA-O 3.33Å; E165-E188 HydrophobicContact CG-CB 4.13Å; E165-E188 HydrophobicContact CG-CG 4.34Å; E165-F389 WeakPolarHBondContact OE2-CE2 3.48Å; E165-F389 WeakPolarHBondContact OE2-CZ 3.21Å
166	L	97.4	Very high	94.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	110.8	176.7	-179.4	57.9	0	0	0	110.6	L143 L153 L163 I168 I180 L186 E188 L189 N190	L143-L166 HydrophobicContact CB-CD1 4.12Å; L143-L166 HydrophobicContact CD2-CD1 3.98Å; L143-L166 HydrophobicContact CG-CD1 4.06Å; L143-L166 WeakPolarHBondContact O-CA 3.2Å; L153-L166 HydrophobicContact CD1-CD2 4.42Å; L163-L166 HydrophobicContact CD2-CB 3.97Å; L163-L166 HydrophobicContact CD2-CD1 4.29Å; L163-L166 HydrophobicContact CD2-CD2 4.31Å; L163-L166 HydrophobicContact CD2-CG 4.42Å; L166-I168 HydrophobicContact CD1-CG2 3.78Å; L166-I168 HydrophobicContact CG-CG2 4.19Å; L166-I180 HydrophobicContact CD2-CD1 4.03Å; L166-L186 HydrophobicContact CB-CD1 3.92Å; L166-E188 PolarHBondContact N-O 3.07Å; L166-L189 HydrophobicContact CB-CD1 4.17Å; L166-L189 HydrophobicContact CD2-CD1 4Å; L166-L189 HydrophobicContact CG-CD1 4.15Å; L166-L189 WeakPolarHBondContact O-CA 3.37Å; L166-N190 PolarHBondContact O-N 2.83Å
167	D	97.2	Very high	94.4	Very high	32 Å²	32	34.5 Å²	34.5	17%	0.171	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	112.7	172.9	-177.7	7.3	0	0	0	110.7	L143 N144 A145 S146 S169 N190	L143-D167 PolarHBondContact O-N 3.43Å; N144-D167 CarbonylContact C-O 3.56Å; N144-D167 HydrophobicContact CB-CB 4.33Å; N144-D167 WeakPolarHBondContact ND2-CB 3.4Å; N144-D167 PolarHBondContact ND2-OD2 3.48Å; A145-D167 PolarHBondContact N-O 3.21Å; S146-D167 PolarHBondContact N-O 3.35Å; D167-S169 VanDerWaalsContact OD1-CB 3.25Å; D167-S169 WeakPolarHBondContact OD1-CB 3.41Å; D167-S169 PolarHBondContact OD1-N 3.09Å; D167-S169 PolarHBondContact OD1-OG 3.04Å; D167-N190 HydrophobicContact CB-CB 4.23Å; D167-N190 PolarHBondContact OD1-ND2 3.44Å
168	I	96.6	Very high	94.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.			trans	-124.9	23.8	177.7	53.6	163.4	0	0	0	110.4	A145 L153 L166 N171 I173 L176 N190 V191 N194	A145-I168 HydrophobicContact CB-CG2 4.48Å; L153-I168 HydrophobicContact CD1-CD1 3.86Å; L153-I168 HydrophobicContact CD2-CD1 4.43Å; L153-I168 HydrophobicContact CD2-CG2 4.22Å; L153-I168 HydrophobicContact CG-CD1 4.32Å; L166-I168 HydrophobicContact CD1-CG2 3.78Å; L166-I168 HydrophobicContact CG-CG2 4.19Å; I168-N171 PolarHBondContact O-ND2 3.04Å; I168-I173 HydrophobicContact CB-CD1 3.94Å; I168-I173 HydrophobicContact CD1-CD1 3.43Å; I168-I173 VanDerWaalsContact CD1-CD1 3.43Å; I168-I173 HydrophobicContact CG1-CD1 4.11Å; I168-L176 HydrophobicContact CD1-CD2 3.92Å; I168-N190 WeakPolarHBondContact CG1-O 3.16Å; I168-N190 PolarHBondContact N-O 3.4Å; I168-V191 HydrophobicContact CD1-CB 4.37Å; I168-V191 HydrophobicContact CD1-CG1 3.65Å; I168-V191 HydrophobicContact CG1-CB 4.36Å; I168-V191 HydrophobicContact CG1-CG1 3.78Å; I168-N194 PolarHBondContact O-ND2 3.14Å
169	S	96.3	Very high	94.4	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	24%	0.236	C	C	.	.			trans	-66.4	157.4	-178.7	62.1	0	0	0	0	113.6	S146 N147 D167 N171 N190 R192	S146-S169 CarbonylContact C-O 3.54Å; S146-S169 WeakPolarHBondContact CA-O 3.36Å; S146-S169 VanDerWaalsContact CB-O 3.31Å; S146-S169 WeakPolarHBondContact CB-O 3.37Å; S146-S169 WeakPolarHBondContact CB-OG 3.27Å; N147-S169 PolarHBondContact N-O 3.38Å; D167-S169 VanDerWaalsContact OD1-CB 3.25Å; D167-S169 WeakPolarHBondContact OD1-CB 3.41Å; D167-S169 PolarHBondContact OD1-N 3.09Å; D167-S169 PolarHBondContact OD1-OG 3.04Å; S169-N171 PolarHBondContact O-ND2 2.96Å; S169-N190 WeakPolarHBondContact CB-ND2 3.15Å; S169-N190 WeakPolarHBondContact CB-OD1 3.39Å; S169-N190 PolarHBondContact N-O 3Å; S169-N190 PolarHBondContact OG-ND2 2.57Å; S169-R192 CarbonylContact C-O 2.98Å; S169-R192 WeakPolarHBondContact CA-O 3.46Å; S169-R192 WeakPolarHBondContact CB-O 3.36Å
170	C	95.8	Very high	94.4	Very high	36 Å²	36	40.3 Å²	40.3	24%	0.243	21%	0.212	C	C	.	.	S	Bend	trans	55.2	53.7	-177.4	-51	0	0	0	0	112.7	N147 N148 R192 R193	N147-C170 VanDerWaalsContact CA-O 3.24Å; N147-C170 WeakPolarHBondContact CA-O 3.36Å; N147-C170 HydrophobicContact CB-CB 4.47Å; N147-C170 PolarHBondContact N-O 2.78Å; N147-C170 WeakPolarHBondContact ND2-CB 3.29Å; N148-C170 PolarHBondContact N-O 2.85Å; C170-R192 PolarHBondContact N-O 2.89Å; C170-R193 CarbonylContact C-O 3.4Å; C170-R193 WeakPolarHBondContact CA-O 3.36Å; C170-R193 HydrophobicContact CB-CB 4.49Å; C170-R193 PolarHBondContact N-O 3.25Å
171	N	96.6	Very high	94.2	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	22%	0.215	C	C	.	.	S	Bend	trans	-126.9	-171.5	175.7	-85.5	-78.5	0	0	0	109.7	A145 N148 K149 L150 I168 S169 I173 R193 N194	A145-N171 PolarHBondContact O-ND2 3.1Å; N148-N171 WeakPolarHBondContact CA-OD1 3.49Å; N148-N171 WeakPolarHBondContact CB-OD1 3.45Å; N148-N171 PolarHBondContact N-OD1 3.45Å; N148-N171 PolarHBondContact O-OD1 3.02Å; K149-N171 PolarHBondContact N-OD1 3.22Å; L150-N171 HydrophobicContact CB-CB 4.21Å; L150-N171 WeakPolarHBondContact CB-OD1 3.47Å; L150-N171 WeakPolarHBondContact CG-OD1 3.46Å; L150-N171 PolarHBondContact N-OD1 3.14Å; I168-N171 PolarHBondContact O-ND2 3.04Å; S169-N171 PolarHBondContact O-ND2 2.96Å; N171-I173 HydrophobicContact CB-CD1 4.16Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; N171-R193 PolarHBondContact N-O 3.45Å; N171-R193 VanDerWaalsContact N-O 3.12Å; N171-N194 WeakPolarHBondContact CA-OD1 3.42Å; N171-N194 WeakPolarHBondContact CB-OD1 3.29Å; N171-N194 PolarHBondContact O-OD1 3.15Å
172	E	95.6	Very high	94.3	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	21%	0.214	S	C	.	.			trans	-109	24.8	-178.2	-61.8	177.6	-145.1	0	0	111.1	L150 T174 L195	L150-E172 CarbonylContact O-C 3.57Å; L150-E172 WeakPolarHBondContact O-CA 3.17Å; L150-E172 PolarHBondContact O-N 2.91Å; E172-T174 PolarHBondContact O-N 2.98Å; E172-L195 HydrophobicContact CB-CD1 4.35Å
173	I	95.9	Very high	94.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	20%	0.197	C	C	.	.			trans	-70.9	123	-167.7	-59.2	172.8	0	0	0	110.9	L150 V151 L153 I168 N171 A175 L176 N194 L195 L196	L150-I173 HydrophobicContact CB-CD1 4.18Å; L150-I173 HydrophobicContact CB-CG1 4Å; L150-I173 WeakPolarHBondContact O-CG1 3.45Å; L150-I173 PolarHBondContact O-N 3.11Å; L150-I173 VanDerWaalsContact O-N 3.09Å; V151-I173 WeakPolarHBondContact O-CA 3.48Å; L153-I173 HydrophobicContact CD2-CD1 4.33Å; L153-I173 HydrophobicContact CG-CD1 4.47Å; I168-I173 HydrophobicContact CB-CD1 3.94Å; I168-I173 HydrophobicContact CD1-CD1 3.43Å; I168-I173 VanDerWaalsContact CD1-CD1 3.43Å; I168-I173 HydrophobicContact CG1-CD1 4.11Å; N171-I173 HydrophobicContact CB-CD1 4.16Å; N171-I173 HydrophobicContact CB-CG1 3.98Å; I173-A175 WeakPolarHBondContact CG2-O 3.2Å; I173-L176 HydrophobicContact CG2-CD2 4.38Å; I173-N194 HydrophobicContact CB-CB 4.3Å; I173-N194 VanDerWaalsContact CB-OD1 3.24Å; I173-N194 WeakPolarHBondContact CB-OD1 3.08Å; I173-N194 WeakPolarHBondContact CG1-OD1 3.29Å; I173-N194 PolarHBondContact N-OD1 2.92Å; I173-L195 CarbonylContact O-C 3.54Å; I173-L195 VanDerWaalsContact O-CA 3.31Å; I173-L195 WeakPolarHBondContact O-CA 3.26Å; I173-L195 PolarHBondContact O-N 3.03Å; I173-L196 HydrophobicContact CG2-CD2 3.87Å; I173-L196 PolarHBondContact O-N 2.95Å
174	T	93.1	Very high	94.1	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.442	22%	0.22	S	C	.	.			trans	-91	-32.2	-174.7	50.2	0	0	0	0	114	V151 E172 L195	V151-T174 PolarHBondContact O-N 3.19Å; V151-T174 VanDerWaalsContact O-N 3.13Å; V151-T174 PolarHBondContact O-OG1 3.24Å; E172-T174 PolarHBondContact O-N 2.98Å; T174-L195 HydrophobicContact CG2-CB 4.36Å
175	A	93.2	Very high	94	Very high	53 Å²	53	42.7 Å²	42.7	44%	0.438	21%	0.211	S	C	.	.			trans	-151.6	152.9	176	0	0	0	0	0	111.1	I173	I173-A175 WeakPolarHBondContact CG2-O 3.2Å
176	L	94.1	Very high	94	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.063	20%	0.201	C	C	.	.			trans	-95.4	135.5	170.1	-62.3	174.4	0	0	0	109.7	L153 I168 I173 V191 L196 P200 L203	L153-L176 HydrophobicContact CD1-CD2 4.27Å; I168-L176 HydrophobicContact CD1-CD2 3.92Å; I173-L176 HydrophobicContact CG2-CD2 4.38Å; L176-V191 HydrophobicContact CD1-CG1 4.25Å; L176-V191 HydrophobicContact CD2-CG1 4.29Å; L176-L196 HydrophobicContact CD1-CD1 4.12Å; L176-L196 HydrophobicContact CD2-CD2 4.34Å; L176-L196 HydrophobicContact CG-CD1 4.12Å; L176-L196 HydrophobicContact CG-CD2 3.92Å; L176-P200 HydrophobicContact CB-CG 3.96Å; L176-L203 HydrophobicContact CD1-CD1 3.99Å
177	P	93.2	Very high	93.9	Very high	17 Å²	17	45.2 Å²	45.2	11%	0.11	22%	0.218	C	C	.	.			trans	-70.7	139.9	179.2	29.4	-34.7	0	0	0	110.8	L153 E155 I157 H179 I180	L153-P177 HydrophobicContact CB-CG 4.07Å; E155-P177 HydrophobicContact CG-CB 4.4Å; I157-P177 HydrophobicContact CG2-CG 3.82Å; P177-H179 PolarHBondContact O-N 2.97Å; P177-I180 VanDerWaalsContact O-CB 3.27Å; P177-I180 WeakPolarHBondContact O-CB 3.48Å; P177-I180 WeakPolarHBondContact O-CG2 3.41Å; P177-I180 PolarHBondContact O-N 2.85Å
178	R	89.6	Confident	93.9	Very high	187 Å²	187	46.3 Å²	46.3	71%	0.706	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-50.7	-35	177.6	-63.7	-174.1	-175.1	167	-0.1	113.1	I180 G181 D202	R178-I180 PolarHBondContact O-N 3.19Å; R178-G181 PolarHBondContact O-N 2.81Å; R178-D202 WeakPolarHBondContact CA-OD2 3.33Å; R178-D202 WeakPolarHBondContact CB-OD2 3.23Å; R178-D202 WeakPolarHBondContact CG-OD2 3.29Å; R178-D202 VanDerWaalsContact O-CB 3.26Å; R178-D202 WeakPolarHBondContact O-CB 3.42Å
179	H	91.1	Very high	93.9	Very high	46 Å²	46	46.4 Å²	46.4	21%	0.213	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-52.3	-19.9	174.8	-70.7	108.4	0	0	0	115.2	E155 G158 P177 G181 R182	E155-H179 WeakPolarHBondContact O-CB 3.28Å; E155-H179 IonicContact OE1-ND1 2.62Å; E155-H179 IonicContact OE2-CE1 2.74Å; E155-H179 PolarHBondContact OE2-CE1 2.68Å; E155-H179 IonicContact OE2-ND1 2.68Å; G158-H179 VanDerWaalsContact CA-O 3.28Å; G158-H179 WeakPolarHBondContact CA-O 3.46Å; P177-H179 PolarHBondContact O-N 2.97Å; H179-G181 PolarHBondContact O-N 3.43Å; H179-R182 PolarHBondContact CD2-NH2 3.47Å; H179-R182 PolarHBondContact NE2-NH2 3.14Å; H179-R182 WeakPolarHBondContact O-CB 3.45Å; H179-R182 PolarHBondContact O-N 3.1Å; H179-R182 VanDerWaalsContact O-N 3.08Å
180	I	93	Very high	93.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-54.3	-32.2	171.6	-157.2	77.3	0	0	0	112.4	L153 I157 L166 P177 R178 R182 L183 P200 L203	L153-I180 HydrophobicContact CD1-CD1 4.43Å; I157-I180 HydrophobicContact CG1-CD1 4.39Å; I157-I180 HydrophobicContact CG2-CD1 4.12Å; L166-I180 HydrophobicContact CD2-CD1 4.03Å; P177-I180 VanDerWaalsContact O-CB 3.27Å; P177-I180 WeakPolarHBondContact O-CB 3.48Å; P177-I180 WeakPolarHBondContact O-CG2 3.41Å; P177-I180 PolarHBondContact O-N 2.85Å; R178-I180 PolarHBondContact O-N 3.19Å; I180-R182 PolarHBondContact O-N 3.48Å; I180-L183 HydrophobicContact CD1-CD1 3.5Å; I180-L183 HydrophobicContact CG1-CD1 4.02Å; I180-L183 WeakPolarHBondContact O-CB 3.45Å; I180-L183 WeakPolarHBondContact O-CG 3.41Å; I180-L183 PolarHBondContact O-N 3.04Å; I180-L183 VanDerWaalsContact O-N 3.11Å; I180-P200 HydrophobicContact CG2-CG 4.24Å; I180-L203 HydrophobicContact CB-CD2 4.46Å; I180-L203 HydrophobicContact CG1-CD2 4.03Å; I180-L203 HydrophobicContact CG2-CD2 3.6Å; I180-L203 HydrophobicContact CG2-CG 3.84Å
181	G	88.5	Confident	94	Very high	8 Å²	8	46 Å²	46	8%	0.082	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.8	-8.1	177.8	0	0	0	0	0	115.3	R178 H179 K184 D202 L206	R178-G181 PolarHBondContact O-N 2.81Å; H179-G181 PolarHBondContact O-N 3.43Å; G181-K184 WeakPolarHBondContact O-CE 3.18Å; G181-K184 PolarHBondContact O-NZ 2.78Å; G181-D202 VanDerWaalsContact CA-O 3.32Å; G181-D202 WeakPolarHBondContact CA-O 3.12Å; G181-L206 WeakPolarHBondContact O-CD2 3.45Å
182	R	92.3	Very high	94	Very high	144 Å²	144	49.5 Å²	49.5	54%	0.543	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-83.9	-10.1	173.7	-61.5	-173.4	-178.8	167	6.8	113.8	G158 H179 I180 K184	G158-R182 WeakPolarHBondContact O-CB 3.16Å; H179-R182 PolarHBondContact CD2-NH2 3.47Å; H179-R182 PolarHBondContact NE2-NH2 3.14Å; H179-R182 WeakPolarHBondContact O-CB 3.45Å; H179-R182 PolarHBondContact O-N 3.1Å; H179-R182 VanDerWaalsContact O-N 3.08Å; I180-R182 PolarHBondContact O-N 3.48Å; R182-K184 VanDerWaalsContact C-N 3.28Å; R182-K184 PolarHBondContact O-N 3.36Å
183	L	93.3	Very high	93.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.			trans	-76.7	67.1	-177.9	-63.2	178.4	0	0	0	112.8	I157 L160 L163 I180 A185 L186 L206	I157-L183 WeakPolarHBondContact O-CD2 3.21Å; L160-L183 HydrophobicContact CB-CD2 3.91Å; L160-L183 WeakPolarHBondContact O-CD2 3.08Å; L163-L183 HydrophobicContact CB-CD2 4.38Å; L163-L183 HydrophobicContact CD2-CD1 4.26Å; I180-L183 HydrophobicContact CD1-CD1 3.5Å; I180-L183 HydrophobicContact CG1-CD1 4.02Å; I180-L183 WeakPolarHBondContact O-CB 3.45Å; I180-L183 WeakPolarHBondContact O-CG 3.41Å; I180-L183 PolarHBondContact O-N 3.04Å; I180-L183 VanDerWaalsContact O-N 3.11Å; L183-A185 PolarHBondContact O-N 3.48Å; L183-A185 VanDerWaalsContact O-N 3.15Å; L183-L186 HydrophobicContact CB-CB 3.91Å; L183-L186 HydrophobicContact CB-CD2 4.39Å; L183-L186 HydrophobicContact CD1-CD2 4Å; L183-L186 VanDerWaalsContact O-CB 3.26Å; L183-L186 WeakPolarHBondContact O-CB 3.48Å; L183-L186 PolarHBondContact O-N 3.36Å; L183-L206 HydrophobicContact CB-CD2 4.38Å; L183-L206 WeakPolarHBondContact O-CD2 3.48Å
184	K	90.3	Very high	93.9	Very high	111 Å²	111	50.8 Å²	50.8	48%	0.483	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.6	-173.3	-58	-47.2	-168.2	-168.4	0	115	G181 R182 R187 D205 L206 P207	G181-K184 WeakPolarHBondContact O-CE 3.18Å; G181-K184 PolarHBondContact O-NZ 2.78Å; R182-K184 VanDerWaalsContact C-N 3.28Å; R182-K184 PolarHBondContact O-N 3.36Å; K184-R187 PolarHBondContact O-NH1 3.46Å; K184-D205 PolarHBondContact NZ-O 3.01Å; K184-L206 HydrophobicContact CD-CD2 4.3Å; K184-P207 WeakPolarHBondContact O-CG 3.37Å
185	A	94.2	Very high	94	Very high	18 Å²	18	50.8 Å²	50.8	15%	0.149	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-15.7	167.4	0	0	0	0	0	114.1	H161 G162 L163 M164 L183 R187	H161-A185 WeakPolarHBondContact O-CB 3.4Å; G162-A185 VanDerWaalsContact C-CB 3.5Å; L163-A185 CarbonylContact O-C 3.48Å; L163-A185 WeakPolarHBondContact O-CB 3.43Å; M164-A185 HydrophobicContact CG-CB 4.35Å; L183-A185 PolarHBondContact O-N 3.48Å; L183-A185 VanDerWaalsContact O-N 3.15Å; A185-R187 PolarHBondContact O-N 3Å; A185-R187 PolarHBondContact O-NH1 3.19Å
186	L	96.1	Very high	94	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.207	C	C	.	.			trans	-67.4	126.5	-167.1	-160.3	70.9	0	0	0	112	L163 L166 L183 L189 L206 P207 L208	L163-L186 HydrophobicContact CD2-CD1 4.19Å; L163-L186 HydrophobicContact CG-CD1 4.11Å; L163-L186 WeakPolarHBondContact O-CA 3.25Å; L163-L186 PolarHBondContact O-N 3.2Å; L166-L186 HydrophobicContact CB-CD1 3.92Å; L183-L186 HydrophobicContact CB-CB 3.91Å; L183-L186 HydrophobicContact CB-CD2 4.39Å; L183-L186 HydrophobicContact CD1-CD2 4Å; L183-L186 VanDerWaalsContact O-CB 3.26Å; L183-L186 WeakPolarHBondContact O-CB 3.48Å; L183-L186 PolarHBondContact O-N 3.36Å; L186-L189 HydrophobicContact CD2-CB 4.14Å; L186-L189 HydrophobicContact CD2-CD1 4.47Å; L186-L189 HydrophobicContact CD2-CD2 4.49Å; L186-L206 HydrophobicContact CD2-CD1 3.95Å; L186-P207 CarbonylContact O-C 3.5Å; L186-L208 HydrophobicContact CB-CD2 4.31Å; L186-L208 HydrophobicContact CD2-CD2 3.88Å; L186-L208 HydrophobicContact CG-CD2 3.81Å
187	R	95.3	Very high	93.9	Very high	101 Å²	101	50.7 Å²	50.7	38%	0.381	23%	0.225	S	C	.	.			trans	-114.2	-36	177.5	-59.4	-55.2	-174.6	-101.6	6.3	111.5	M164 K184 A185 P207 V209 K210	M164-R187 PolarHBondContact O-N 2.9Å; K184-R187 PolarHBondContact O-NH1 3.46Å; A185-R187 PolarHBondContact O-N 3Å; A185-R187 PolarHBondContact O-NH1 3.19Å; R187-P207 VanDerWaalsContact CD-O 3.28Å; R187-P207 WeakPolarHBondContact CD-O 3.24Å; R187-V209 HydrophobicContact CB-CG2 4.33Å; R187-V209 PolarHBondContact O-N 2.65Å; R187-K210 PolarHBondContact O-N 3.44Å
188	E	97.1	Very high	93.8	Very high	54 Å²	54	54.9 Å²	54.9	25%	0.252	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125	-178.3	-50.3	-155.9	-172	0	0	111.5	M164 E165 L166 K210	M164-E188 PolarHBondContact O-N 3.38Å; E165-E188 WeakPolarHBondContact CA-O 3.33Å; E165-E188 HydrophobicContact CG-CB 4.13Å; E165-E188 HydrophobicContact CG-CG 4.34Å; L166-E188 PolarHBondContact N-O 3.07Å; E188-K210 WeakPolarHBondContact CA-O 3.47Å; E188-K210 HydrophobicContact CB-CB 4.32Å; E188-K210 HydrophobicContact CG-CB 4.05Å; E188-K210 HydrophobicContact CG-CG 4.14Å; E188-K210 IonicContact OE1-NZ 2.81Å; E188-K210 PolarHBondContact OE1-NZ 2.8Å; E188-K210 VanDerWaalsContact OE2-CD 3.22Å; E188-K210 WeakPolarHBondContact OE2-CD 3.42Å; E188-K210 IonicContact OE2-NZ 3.83Å; E188-K210 PolarHBondContact OE2-NZ 3.41Å
189	L	97.2	Very high	94	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	114	178.5	176.7	58.8	0	0	0	109.4	L166 L186 V191 L203 L208 K210 F211 D212	L166-L189 HydrophobicContact CB-CD1 4.17Å; L166-L189 HydrophobicContact CD2-CD1 4Å; L166-L189 HydrophobicContact CG-CD1 4.15Å; L166-L189 WeakPolarHBondContact O-CA 3.37Å; L186-L189 HydrophobicContact CD2-CB 4.14Å; L186-L189 HydrophobicContact CD2-CD1 4.47Å; L186-L189 HydrophobicContact CD2-CD2 4.49Å; L189-V191 HydrophobicContact CD1-CG1 3.71Å; L189-V191 HydrophobicContact CG-CG1 3.95Å; L189-L203 HydrophobicContact CD2-CD1 4.49Å; L189-L203 HydrophobicContact CD2-CD2 3.67Å; L189-L208 HydrophobicContact CB-CD1 4.15Å; L189-L208 HydrophobicContact CB-CD2 3.74Å; L189-L208 HydrophobicContact CD2-CD1 4.09Å; L189-K210 PolarHBondContact N-O 3.5Å; L189-F211 HydrophobicContact CB-CD2 4.07Å; L189-F211 HydrophobicContact CD2-CD2 3.93Å; L189-F211 HydrophobicContact CD2-CE2 3.76Å; L189-F211 HydrophobicContact CG-CD2 3.94Å; L189-F211 HydrophobicContact CG-CE2 4.04Å; L189-F211 WeakPolarHBondContact O-CA 3.49Å; L189-D212 PolarHBondContact O-N 3.41Å
190	N	96.9	Very high	94.1	Very high	39 Å²	39	44.7 Å²	44.7	21%	0.209	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.3	176.5	-177.2	11.8	0	0	0	110.3	L166 D167 I168 S169 R192	L166-N190 PolarHBondContact O-N 2.83Å; D167-N190 HydrophobicContact CB-CB 4.23Å; D167-N190 PolarHBondContact OD1-ND2 3.44Å; I168-N190 WeakPolarHBondContact CG1-O 3.16Å; I168-N190 PolarHBondContact N-O 3.4Å; S169-N190 WeakPolarHBondContact CB-ND2 3.15Å; S169-N190 WeakPolarHBondContact CB-OD1 3.39Å; S169-N190 PolarHBondContact N-O 3Å; S169-N190 PolarHBondContact OG-ND2 2.57Å; N190-R192 WeakPolarHBondContact OD1-CB 3.48Å; N190-R192 PolarHBondContact OD1-N 3.09Å; N190-R192 VanDerWaalsContact OD1-N 3.13Å
191	V	96.6	Very high	94	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.241	C	C	.	.			trans	-119.1	16.4	176.4	-48.3	0	0	0	0	111.8	I168 L176 L189 N194 L196 F211 D212 F213 N216	I168-V191 HydrophobicContact CD1-CB 4.37Å; I168-V191 HydrophobicContact CD1-CG1 3.65Å; I168-V191 HydrophobicContact CG1-CB 4.36Å; I168-V191 HydrophobicContact CG1-CG1 3.78Å; L176-V191 HydrophobicContact CD1-CG1 4.25Å; L176-V191 HydrophobicContact CD2-CG1 4.29Å; L189-V191 HydrophobicContact CD1-CG1 3.71Å; L189-V191 HydrophobicContact CG-CG1 3.95Å; V191-N194 WeakPolarHBondContact O-CB 3.17Å; V191-N194 PolarHBondContact O-ND2 3.18Å; V191-L196 HydrophobicContact CB-CD1 3.93Å; V191-L196 HydrophobicContact CG2-CD1 3.49Å; V191-L196 VanDerWaalsContact CG2-CD1 3.49Å; V191-F211 HydrophobicContact CG2-CE2 4.09Å; V191-D212 CarbonylContact C-O 3.6Å; V191-D212 WeakPolarHBondContact CG2-O 3.41Å; V191-D212 PolarHBondContact N-O 2.91Å; V191-F213 HydrophobicContact CG2-CB 3.51Å; V191-N216 PolarHBondContact O-ND2 2.99Å
192	R	96.6	Very high	94.2	Very high	84 Å²	84	53.4 Å²	53.4	32%	0.317	25%	0.252	S	S	.	.			trans	-51.1	141.9	178.4	174.3	169.6	-179.8	112.9	-5.2	112.6	S169 C170 N190 N194 D212 S214	S169-R192 CarbonylContact C-O 2.98Å; S169-R192 WeakPolarHBondContact CA-O 3.46Å; S169-R192 WeakPolarHBondContact CB-O 3.36Å; C170-R192 PolarHBondContact N-O 2.89Å; N190-R192 WeakPolarHBondContact OD1-CB 3.48Å; N190-R192 PolarHBondContact OD1-N 3.09Å; N190-R192 VanDerWaalsContact OD1-N 3.13Å; R192-N194 PolarHBondContact O-ND2 3.47Å; R192-D212 WeakPolarHBondContact CD-OD2 3.25Å; R192-D212 PolarHBondContact N-O 3.38Å; R192-D212 IonicContact NH1-OD2 3.96Å; R192-S214 CarbonylContact C-O 3.41Å; R192-S214 WeakPolarHBondContact CA-O 3.4Å; R192-S214 WeakPolarHBondContact CD-OG 3.21Å; R192-S214 VanDerWaalsContact CG-OG 3.31Å; R192-S214 WeakPolarHBondContact CG-OG 3.42Å; R192-S214 PolarHBondContact NH1-OG 3.18Å
193	R	95.1	Very high	94.2	Very high	109 Å²	109	46.5 Å²	46.5	41%	0.411	23%	0.226	S	C	.	.	S	Bend	trans	55.2	65.6	179.1	-64.8	175.3	93.1	162	10.7	111.7	C170 N171 S214 C215 Y380	C170-R193 CarbonylContact C-O 3.4Å; C170-R193 WeakPolarHBondContact CA-O 3.36Å; C170-R193 HydrophobicContact CB-CB 4.49Å; C170-R193 PolarHBondContact N-O 3.25Å; N171-R193 PolarHBondContact N-O 3.45Å; N171-R193 VanDerWaalsContact N-O 3.12Å; R193-S214 PolarHBondContact N-O 2.92Å; R193-C215 WeakPolarHBondContact CA-O 3.5Å; R193-C215 HydrophobicContact CB-CB 4.31Å; R193-C215 HydrophobicContact CG-CB 3.46Å; R193-C215 VanDerWaalsContact CG-CB 3.46Å; R193-C215 PolarHBondContact N-O 3.43Å; R193-Y380 PolarHBondContact NH1-OH 2.78Å; R193-Y380 PolarHBondContact NH2-OH 3Å; R193-Y380 VanDerWaalsContact NH2-OH 3.14Å
194	N	95.9	Very high	94.1	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.043	23%	0.228	C	C	.	.	S	Bend	trans	-132.7	-170	171.9	-86.1	-75.8	0	0	0	109.2	I168 N171 I173 V191 R192 L196 C215 N216	I168-N194 PolarHBondContact O-ND2 3.14Å; N171-N194 WeakPolarHBondContact CA-OD1 3.42Å; N171-N194 WeakPolarHBondContact CB-OD1 3.29Å; N171-N194 PolarHBondContact O-OD1 3.15Å; I173-N194 HydrophobicContact CB-CB 4.3Å; I173-N194 VanDerWaalsContact CB-OD1 3.24Å; I173-N194 WeakPolarHBondContact CB-OD1 3.08Å; I173-N194 WeakPolarHBondContact CG1-OD1 3.29Å; I173-N194 PolarHBondContact N-OD1 2.92Å; V191-N194 WeakPolarHBondContact O-CB 3.17Å; V191-N194 PolarHBondContact O-ND2 3.18Å; R192-N194 PolarHBondContact O-ND2 3.47Å; N194-L196 HydrophobicContact CB-CG 4.28Å; N194-C215 PolarHBondContact N-O 3.19Å; N194-N216 VanDerWaalsContact CA-OD1 3.29Å; N194-N216 WeakPolarHBondContact CA-OD1 3.26Å; N194-N216 WeakPolarHBondContact CB-OD1 3.12Å; N194-N216 PolarHBondContact N-OD1 2.78Å; N194-N216 PolarHBondContact O-OD1 3.28Å
195	L	94.1	Very high	94.1	Very high	72 Å²	72	45.6 Å²	45.6	38%	0.377	23%	0.227	S	C	.	.			trans	-111.6	25.6	-178.5	-60.4	177.2	0	0	0	112.2	E172 I173 T174 C197 N216	E172-L195 HydrophobicContact CB-CD1 4.35Å; I173-L195 CarbonylContact O-C 3.54Å; I173-L195 VanDerWaalsContact O-CA 3.31Å; I173-L195 WeakPolarHBondContact O-CA 3.26Å; I173-L195 PolarHBondContact O-N 3.03Å; T174-L195 HydrophobicContact CG2-CB 4.36Å; L195-C197 PolarHBondContact O-N 3.24Å; L195-N216 PolarHBondContact N-OD1 3.13Å
196	L	94.1	Very high	94	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.			trans	-66	117.7	-175.6	-61.7	175.6	0	0	0	111.2	I173 L176 V191 N194 L199 N216 K217 V218	I173-L196 HydrophobicContact CG2-CD2 3.87Å; I173-L196 PolarHBondContact O-N 2.95Å; L176-L196 HydrophobicContact CD1-CD1 4.12Å; L176-L196 HydrophobicContact CD2-CD2 4.34Å; L176-L196 HydrophobicContact CG-CD1 4.12Å; L176-L196 HydrophobicContact CG-CD2 3.92Å; V191-L196 HydrophobicContact CB-CD1 3.93Å; V191-L196 HydrophobicContact CG2-CD1 3.49Å; V191-L196 VanDerWaalsContact CG2-CD1 3.49Å; N194-L196 HydrophobicContact CB-CG 4.28Å; L196-L199 HydrophobicContact CD1-CD2 4.22Å; L196-N216 HydrophobicContact CB-CB 4.27Å; L196-N216 VanDerWaalsContact CB-OD1 3.29Å; L196-N216 WeakPolarHBondContact CB-OD1 3.14Å; L196-N216 WeakPolarHBondContact CG-OD1 3.44Å; L196-N216 PolarHBondContact N-OD1 3.03Å; L196-K217 CarbonylContact O-C 3.52Å; L196-K217 VanDerWaalsContact O-CA 3.26Å; L196-K217 WeakPolarHBondContact O-CA 3.34Å; L196-K217 PolarHBondContact O-N 3.36Å; L196-V218 HydrophobicContact CB-CG2 4.26Å; L196-V218 WeakPolarHBondContact O-CG2 3.39Å; L196-V218 PolarHBondContact O-N 3.25Å
197	C	91.5	Very high	93.8	Very high	64 Å²	64	46.2 Å²	46.2	43%	0.432	23%	0.23	S	C	.	.	S	Bend	trans	-90.1	-31.4	173.6	-61.2	0	0	0	0	113	L195	L195-C197 PolarHBondContact O-N 3.24Å
198	V	91.8	Very high	93.8	Very high	104 Å²	104	41.5 Å²	41.5	63%	0.63	21%	0.212	S	C	*	.			trans	-135.1	137.3	-175.9	-178.3	0	0	0	0	109.3
199	L	92.9	Very high	93.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.209	C	C	.	.			trans	-97.5	130.3	172.2	-57.3	176.7	0	0	0	109.4	L196 F211 F213 V218 P222 Y225	L196-L199 HydrophobicContact CD1-CD2 4.22Å; L199-F211 HydrophobicContact CD1-CE1 4.34Å; L199-F211 HydrophobicContact CD1-CZ 4.35Å; L199-F211 HydrophobicContact CD2-CZ 4.34Å; L199-F213 HydrophobicContact CD1-CD1 4.24Å; L199-F213 HydrophobicContact CD1-CD2 4.06Å; L199-F213 HydrophobicContact CD1-CE1 4.13Å; L199-F213 HydrophobicContact CD1-CE2 3.97Å; L199-F213 HydrophobicContact CD1-CG 4.2Å; L199-F213 HydrophobicContact CD1-CZ 4Å; L199-V218 HydrophobicContact CD1-CG1 3.93Å; L199-V218 HydrophobicContact CD1-CG2 4.3Å; L199-V218 HydrophobicContact CD2-CG2 3.84Å; L199-V218 HydrophobicContact CG-CG1 3.86Å; L199-V218 HydrophobicContact CG-CG2 3.86Å; L199-P222 HydrophobicContact CB-CG 4.43Å; L199-P222 VanDerWaalsContact O-CG 3.28Å; L199-P222 WeakPolarHBondContact O-CG 3.34Å; L199-Y225 HydrophobicContact CB-CE2 4.38Å; L199-Y225 VanDerWaalsContact CB-OH 3.26Å; L199-Y225 WeakPolarHBondContact CB-OH 3.45Å; L199-Y225 HydrophobicContact CD1-CE2 4.11Å
200	P	93.1	Very high	93.6	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.104	23%	0.227	C	C	.	.			trans	-70.8	146.7	-178.8	28.1	-34.6	0	0	0	112.1	L176 I180 D202 L203 Y225	L176-P200 HydrophobicContact CB-CG 3.96Å; I180-P200 HydrophobicContact CG2-CG 4.24Å; P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 3.47Å; P200-L203 HydrophobicContact CG-CD1 3.91Å; P200-L203 HydrophobicContact CG-CG 4.1Å; P200-L203 PolarHBondContact O-N 3.32Å; P200-Y225 WeakPolarHBondContact O-CE1 3.33Å; P200-Y225 PolarHBondContact O-OH 3.45Å
201	E	92	Very high	93.6	Very high	132 Å²	132	43 Å²	43	62%	0.617	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-65.1	-29.6	179.4	-62.5	-160.5	178.3	0	0	112.8	L203 A204 P222	E201-L203 PolarHBondContact O-N 3.43Å; E201-A204 WeakPolarHBondContact O-CB 3.49Å; E201-A204 PolarHBondContact O-N 3.23Å; E201-P222 HydrophobicContact CG-CB 4.2Å
202	D	92.1	Very high	93.6	Very high	59 Å²	59	44.3 Å²	44.3	32%	0.316	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-60.2	-20.3	-177.1	-44.6	-101.5	0	0	0	113.6	R178 G181 P200 A204 D205	R178-D202 WeakPolarHBondContact CA-OD2 3.33Å; R178-D202 WeakPolarHBondContact CB-OD2 3.23Å; R178-D202 WeakPolarHBondContact CG-OD2 3.29Å; R178-D202 VanDerWaalsContact O-CB 3.26Å; R178-D202 WeakPolarHBondContact O-CB 3.42Å; G181-D202 VanDerWaalsContact CA-O 3.32Å; G181-D202 WeakPolarHBondContact CA-O 3.12Å; P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 3.47Å; D202-A204 PolarHBondContact O-N 3.46Å; D202-D205 PolarHBondContact O-N 3.4Å
203	L	93.1	Very high	93.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-66.3	-21.4	172.1	-74.1	171.1	0	0	0	113	L176 I180 L189 P200 E201 D205 L206 L208 F211 Y225	L176-L203 HydrophobicContact CD1-CD1 3.99Å; I180-L203 HydrophobicContact CB-CD2 4.46Å; I180-L203 HydrophobicContact CG1-CD2 4.03Å; I180-L203 HydrophobicContact CG2-CD2 3.6Å; I180-L203 HydrophobicContact CG2-CG 3.84Å; L189-L203 HydrophobicContact CD2-CD1 4.49Å; L189-L203 HydrophobicContact CD2-CD2 3.67Å; P200-L203 HydrophobicContact CG-CD1 3.91Å; P200-L203 HydrophobicContact CG-CG 4.1Å; P200-L203 PolarHBondContact O-N 3.32Å; E201-L203 PolarHBondContact O-N 3.43Å; L203-D205 PolarHBondContact O-N 3.44Å; L203-L206 HydrophobicContact CD2-CD1 3.64Å; L203-L206 HydrophobicContact CD2-CG 4.5Å; L203-L206 PolarHBondContact O-N 2.87Å; L203-L208 HydrophobicContact CD2-CD1 4.48Å; L203-F211 HydrophobicContact CD1-CZ 4.3Å; L203-Y225 HydrophobicContact CB-CE1 4.13Å; L203-Y225 WeakPolarHBondContact CB-OH 3.23Å; L203-Y225 WeakPolarHBondContact CD1-OH 3.43Å
204	A	90.6	Very high	93.5	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.041	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-64.2	-26.6	178.1	0	0	0	0	0	113.3	E201 D202 L206 C224 Y225 K227	E201-A204 WeakPolarHBondContact O-CB 3.49Å; E201-A204 PolarHBondContact O-N 3.23Å; D202-A204 PolarHBondContact O-N 3.46Å; A204-L206 VanDerWaalsContact C-N 3.33Å; A204-C224 HydrophobicContact CB-CB 4.01Å; A204-Y225 HydrophobicContact CB-CD1 3.87Å; A204-Y225 HydrophobicContact CB-CE1 4.31Å; A204-K227 HydrophobicContact CB-CD 4.43Å
205	D	89.9	Confident	93.4	Very high	86 Å²	86	36.4 Å²	36.4	46%	0.46	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-95.6	16.1	-179.2	-62.7	-16.2	0	0	0	111.8	K184 D202 L203 K227	K184-D205 PolarHBondContact NZ-O 3.01Å; D202-D205 PolarHBondContact O-N 3.4Å; L203-D205 PolarHBondContact O-N 3.44Å; D205-K227 WeakPolarHBondContact OD1-CD 3.36Å; D205-K227 IonicContact OD1-NZ 2.68Å; D205-K227 PolarHBondContact OD1-NZ 3.19Å
206	L	92.5	Very high	93.5	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.037	18%	0.184	C	C	.	.	S	Bend	trans	-98.7	138.7	172.9	-65.4	-168.3	0	0	0	112.7	G181 L183 K184 L186 L203 A204 L208	G181-L206 WeakPolarHBondContact O-CD2 3.45Å; L183-L206 HydrophobicContact CB-CD2 4.38Å; L183-L206 WeakPolarHBondContact O-CD2 3.48Å; K184-L206 HydrophobicContact CD-CD2 4.3Å; L186-L206 HydrophobicContact CD2-CD1 3.95Å; L203-L206 HydrophobicContact CD2-CD1 3.64Å; L203-L206 HydrophobicContact CD2-CG 4.5Å; L203-L206 PolarHBondContact O-N 2.87Å; A204-L206 VanDerWaalsContact C-N 3.33Å; L206-L208 HydrophobicContact CB-CD1 4.31Å; L206-L208 HydrophobicContact CB-CG 3.98Å; L206-L208 HydrophobicContact CD1-CD1 4.36Å; L206-L208 HydrophobicContact CD1-CG 4.46Å; L206-L208 PolarHBondContact O-N 3.24Å
207	P	92.4	Very high	93.4	Very high	25 Å²	25	39.2 Å²	39.2	16%	0.162	21%	0.209	C	C	.	.			trans	-75.2	45.3	173.7	31.6	-35	0	0	0	113.6	K184 L186 R187	K184-P207 WeakPolarHBondContact O-CG 3.37Å; L186-P207 CarbonylContact O-C 3.5Å; R187-P207 VanDerWaalsContact CD-O 3.28Å; R187-P207 WeakPolarHBondContact CD-O 3.24Å
208	L	93.9	Very high	93.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.188	C	C	.	.			trans	-66.7	134.8	179.2	-74.2	173.9	0	0	0	111.6	L186 L189 L203 L206 F211 M228 Q230 L231	L186-L208 HydrophobicContact CB-CD2 4.31Å; L186-L208 HydrophobicContact CD2-CD2 3.88Å; L186-L208 HydrophobicContact CG-CD2 3.81Å; L189-L208 HydrophobicContact CB-CD1 4.15Å; L189-L208 HydrophobicContact CB-CD2 3.74Å; L189-L208 HydrophobicContact CD2-CD1 4.09Å; L203-L208 HydrophobicContact CD2-CD1 4.48Å; L206-L208 HydrophobicContact CB-CD1 4.31Å; L206-L208 HydrophobicContact CB-CG 3.98Å; L206-L208 HydrophobicContact CD1-CD1 4.36Å; L206-L208 HydrophobicContact CD1-CG 4.46Å; L206-L208 PolarHBondContact O-N 3.24Å; L208-F211 HydrophobicContact CD1-CB 4.45Å; L208-F211 HydrophobicContact CD1-CG 4.48Å; L208-M228 HydrophobicContact CB-CE 4.05Å; L208-M228 HydrophobicContact CD1-CE 3.8Å; L208-M228 HydrophobicContact CG-CE 4.44Å; L208-Q230 CarbonylContact O-C 3.4Å; L208-Q230 VanDerWaalsContact O-C 3.26Å; L208-L231 HydrophobicContact CB-CD1 4.13Å; L208-L231 WeakPolarHBondContact O-CA 3.13Å; L208-L231 PolarHBondContact O-N 3.04Å
209	V	95.6	Very high	93.6	Very high	30 Å²	30	33.3 Å²	33.3	18%	0.182	17%	0.173	C	C	.	.	S	Bend	trans	-105.2	-38.7	176.1	176.9	0	0	0	0	110.6	R187 Q232 S233	R187-V209 HydrophobicContact CB-CG2 4.33Å; R187-V209 PolarHBondContact O-N 2.65Å; V209-Q232 HydrophobicContact CG1-CB 4.2Å; V209-Q232 HydrophobicContact CG1-CG 3.96Å; V209-Q232 PolarHBondContact O-N 2.87Å; V209-S233 PolarHBondContact O-N 3.41Å
210	K	95.4	Very high	93.6	Very high	94 Å²	94	36.1 Å²	36.1	41%	0.409	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131.8	169.7	-53.4	-154.7	-163.6	87.6	0	110.6	R187 E188 L189	R187-K210 PolarHBondContact O-N 3.44Å; E188-K210 WeakPolarHBondContact CA-O 3.47Å; E188-K210 HydrophobicContact CB-CB 4.32Å; E188-K210 HydrophobicContact CG-CB 4.05Å; E188-K210 HydrophobicContact CG-CG 4.14Å; E188-K210 IonicContact OE1-NZ 2.81Å; E188-K210 PolarHBondContact OE1-NZ 2.8Å; E188-K210 VanDerWaalsContact OE2-CD 3.22Å; E188-K210 WeakPolarHBondContact OE2-CD 3.42Å; E188-K210 IonicContact OE2-NZ 3.83Å; E188-K210 PolarHBondContact OE2-NZ 3.41Å; L189-K210 PolarHBondContact N-O 3.5Å
211	F	96.3	Very high	93.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	120.2	171.9	-179.2	-144.7	0	0	0	110.1	L189 V191 L199 L203 L208 F213 Y225 L231 S233 L234 Q235	L189-F211 HydrophobicContact CB-CD2 4.07Å; L189-F211 HydrophobicContact CD2-CD2 3.93Å; L189-F211 HydrophobicContact CD2-CE2 3.76Å; L189-F211 HydrophobicContact CG-CD2 3.94Å; L189-F211 HydrophobicContact CG-CE2 4.04Å; L189-F211 WeakPolarHBondContact O-CA 3.49Å; V191-F211 HydrophobicContact CG2-CE2 4.09Å; L199-F211 HydrophobicContact CD1-CE1 4.34Å; L199-F211 HydrophobicContact CD1-CZ 4.35Å; L199-F211 HydrophobicContact CD2-CZ 4.34Å; L203-F211 HydrophobicContact CD1-CZ 4.3Å; L208-F211 HydrophobicContact CD1-CB 4.45Å; L208-F211 HydrophobicContact CD1-CG 4.48Å; F211-F213 AromaticContact CD1-CD1 3.89Å; F211-F213 HydrophobicContact CD1-CD1 3.89Å; F211-F213 HydrophobicContact CD1-CE1 4.25Å; F211-F213 AromaticContact CE1-CD1 3.42Å; F211-F213 HydrophobicContact CE1-CD1 3.42Å; F211-F213 VanDerWaalsContact CE1-CD1 3.42Å; F211-F213 AromaticContact CE1-CE1 3.85Å; F211-F213 HydrophobicContact CE1-CE1 3.85Å; F211-F213 HydrophobicContact CE1-CG 4.33Å; F211-F213 HydrophobicContact CE2-CB 4.17Å; F211-F213 HydrophobicContact CE2-CD1 4.28Å; F211-F213 HydrophobicContact CG-CD1 4.49Å; F211-F213 HydrophobicContact CZ-CB 4.01Å; F211-F213 AromaticContact CZ-CD1 3.64Å; F211-F213 HydrophobicContact CZ-CD1 3.64Å; F211-F213 HydrophobicContact CZ-CE1 4.46Å; F211-F213 HydrophobicContact CZ-CG 4.13Å; F211-Y225 HydrophobicContact CE1-CE2 4.18Å; F211-L231 HydrophobicContact CB-CD1 3.74Å; F211-S233 PolarHBondContact N-O 3.41Å; F211-L234 HydrophobicContact CB-CD1 4.15Å; F211-L234 HydrophobicContact CD1-CD1 3.68Å; F211-L234 HydrophobicContact CG-CD1 4.26Å; F211-L234 WeakPolarHBondContact O-CA 3.45Å; F211-Q235 PolarHBondContact O-N 3.25Å
212	D	95.9	Very high	93.7	Very high	28 Å²	28	30 Å²	30	15%	0.15	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.3	174.6	-172.4	-10.4	0	0	0	110.3	L189 V191 R192 S214 Q235	L189-D212 PolarHBondContact O-N 3.41Å; V191-D212 CarbonylContact C-O 3.6Å; V191-D212 WeakPolarHBondContact CG2-O 3.41Å; V191-D212 PolarHBondContact N-O 2.91Å; R192-D212 WeakPolarHBondContact CD-OD2 3.25Å; R192-D212 PolarHBondContact N-O 3.38Å; R192-D212 IonicContact NH1-OD2 3.96Å; D212-S214 VanDerWaalsContact OD1-CB 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.41Å; D212-S214 PolarHBondContact OD1-N 3.32Å; D212-S214 PolarHBondContact OD1-OG 3.09Å; D212-S214 PolarHBondContact OD2-OG 3.19Å; D212-Q235 HydrophobicContact CB-CB 3.87Å; D212-Q235 HydrophobicContact CB-CG 4.42Å; D212-Q235 VanDerWaalsContact CG-CB 3.45Å; D212-Q235 WeakPolarHBondContact OD1-CB 3.41Å
213	F	95.8	Very high	93.7	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.162	C	C	.	.			trans	-121.1	20.6	170.3	69.4	-88	0	0	0	112.5	V191 L199 F211 N216 V218 I221 L234 Q235 L236 N239	V191-F213 HydrophobicContact CG2-CB 3.51Å; L199-F213 HydrophobicContact CD1-CD1 4.24Å; L199-F213 HydrophobicContact CD1-CD2 4.06Å; L199-F213 HydrophobicContact CD1-CE1 4.13Å; L199-F213 HydrophobicContact CD1-CE2 3.97Å; L199-F213 HydrophobicContact CD1-CG 4.2Å; L199-F213 HydrophobicContact CD1-CZ 4Å; F211-F213 AromaticContact CD1-CD1 3.89Å; F211-F213 HydrophobicContact CD1-CD1 3.89Å; F211-F213 HydrophobicContact CD1-CE1 4.25Å; F211-F213 AromaticContact CE1-CD1 3.42Å; F211-F213 HydrophobicContact CE1-CD1 3.42Å; F211-F213 VanDerWaalsContact CE1-CD1 3.42Å; F211-F213 AromaticContact CE1-CE1 3.85Å; F211-F213 HydrophobicContact CE1-CE1 3.85Å; F211-F213 HydrophobicContact CE1-CG 4.33Å; F211-F213 HydrophobicContact CE2-CB 4.17Å; F211-F213 HydrophobicContact CE2-CD1 4.28Å; F211-F213 HydrophobicContact CG-CD1 4.49Å; F211-F213 HydrophobicContact CZ-CB 4.01Å; F211-F213 AromaticContact CZ-CD1 3.64Å; F211-F213 HydrophobicContact CZ-CD1 3.64Å; F211-F213 HydrophobicContact CZ-CE1 4.46Å; F211-F213 HydrophobicContact CZ-CG 4.13Å; F213-N216 WeakPolarHBondContact O-CB 3.16Å; F213-N216 PolarHBondContact O-ND2 2.88Å; F213-V218 HydrophobicContact CD2-CB 4.27Å; F213-V218 HydrophobicContact CD2-CG2 3.88Å; F213-V218 HydrophobicContact CE2-CB 4.16Å; F213-V218 HydrophobicContact CE2-CG1 4.22Å; F213-V218 HydrophobicContact CE2-CG2 4.24Å; F213-I221 HydrophobicContact CZ-CD1 3.95Å; F213-I221 HydrophobicContact CZ-CG1 4.15Å; F213-L234 HydrophobicContact CD1-CD1 4.23Å; F213-L234 HydrophobicContact CE1-CD1 3.78Å; F213-Q235 PolarHBondContact N-O 3.15Å; F213-L236 HydrophobicContact CD1-CB 4.41Å; F213-L236 HydrophobicContact CD2-CB 4.42Å; F213-L236 HydrophobicContact CE1-CB 3.76Å; F213-L236 HydrophobicContact CE2-CB 3.76Å; F213-L236 HydrophobicContact CZ-CB 3.39Å; F213-N239 PolarHBondContact O-ND2 3.48Å
214	S	94.4	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.			trans	-58.5	153.7	177.6	59.2	0	0	0	0	113	R192 R193 D212 N216 Q235 E237	R192-S214 CarbonylContact C-O 3.41Å; R192-S214 WeakPolarHBondContact CA-O 3.4Å; R192-S214 WeakPolarHBondContact CD-OG 3.21Å; R192-S214 VanDerWaalsContact CG-OG 3.31Å; R192-S214 WeakPolarHBondContact CG-OG 3.42Å; R192-S214 PolarHBondContact NH1-OG 3.18Å; R193-S214 PolarHBondContact N-O 2.92Å; D212-S214 VanDerWaalsContact OD1-CB 3.23Å; D212-S214 WeakPolarHBondContact OD1-CB 3.41Å; D212-S214 PolarHBondContact OD1-N 3.32Å; D212-S214 PolarHBondContact OD1-OG 3.09Å; D212-S214 PolarHBondContact OD2-OG 3.19Å; S214-N216 PolarHBondContact O-ND2 3.18Å; S214-Q235 PolarHBondContact N-O 3.42Å; S214-E237 CarbonylContact C-O 3.26Å; S214-E237 WeakPolarHBondContact CA-O 3.24Å; S214-E237 VanDerWaalsContact CB-O 3.24Å; S214-E237 WeakPolarHBondContact CB-O 3.2Å
215	C	94.1	Very high	93.8	Very high	34 Å²	34	31 Å²	31	23%	0.23	17%	0.169	C	C	.	.	S	Bend	trans	56.8	51.5	-176.8	-50.9	0	0	0	0	112.8	R193 N194 E237 N238	R193-C215 WeakPolarHBondContact CA-O 3.5Å; R193-C215 HydrophobicContact CB-CB 4.31Å; R193-C215 HydrophobicContact CG-CB 3.46Å; R193-C215 VanDerWaalsContact CG-CB 3.46Å; R193-C215 PolarHBondContact N-O 3.43Å; N194-C215 PolarHBondContact N-O 3.19Å; C215-E237 PolarHBondContact N-O 3.06Å; C215-N238 WeakPolarHBondContact CA-O 3.44Å; C215-N238 HydrophobicContact CB-CB 4.39Å; C215-N238 PolarHBondContact N-O 3.01Å; C215-N238 PolarHBondContact SG-ND2 3.5Å
216	N	95.1	Very high	93.8	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.048	16%	0.163	C	C	.	.	S	Bend	trans	-125.5	-171.1	175	-86.1	-86.5	0	0	0	110.1	V191 N194 L195 L196 F213 S214 V218 N238 N239	V191-N216 PolarHBondContact O-ND2 2.99Å; N194-N216 VanDerWaalsContact CA-OD1 3.29Å; N194-N216 WeakPolarHBondContact CA-OD1 3.26Å; N194-N216 WeakPolarHBondContact CB-OD1 3.12Å; N194-N216 PolarHBondContact N-OD1 2.78Å; N194-N216 PolarHBondContact O-OD1 3.28Å; L195-N216 PolarHBondContact N-OD1 3.13Å; L196-N216 HydrophobicContact CB-CB 4.27Å; L196-N216 VanDerWaalsContact CB-OD1 3.29Å; L196-N216 WeakPolarHBondContact CB-OD1 3.14Å; L196-N216 WeakPolarHBondContact CG-OD1 3.44Å; L196-N216 PolarHBondContact N-OD1 3.03Å; F213-N216 WeakPolarHBondContact O-CB 3.16Å; F213-N216 PolarHBondContact O-ND2 2.88Å; S214-N216 PolarHBondContact O-ND2 3.18Å; N216-V218 HydrophobicContact CB-CG2 4.15Å; N216-N238 PolarHBondContact N-O 2.92Å; N216-N239 VanDerWaalsContact CA-OD1 3.32Å; N216-N239 WeakPolarHBondContact CA-OD1 3.19Å; N216-N239 WeakPolarHBondContact CB-OD1 3.28Å; N216-N239 PolarHBondContact N-OD1 2.91Å; N216-N239 PolarHBondContact O-OD1 2.55Å
217	K	93.6	Very high	93.7	Very high	122 Å²	122	36.2 Å²	36.2	53%	0.53	19%	0.185	S	C	.	.			trans	-107.2	22.8	178.5	-64.2	-170	173.3	-168.8	0	112.8	L196 S219	L196-K217 CarbonylContact O-C 3.52Å; L196-K217 VanDerWaalsContact O-CA 3.26Å; L196-K217 WeakPolarHBondContact O-CA 3.34Å; L196-K217 PolarHBondContact O-N 3.36Å; K217-S219 PolarHBondContact O-N 2.89Å
218	V	94.4	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.			trans	-69	121.3	-173.7	-177.9	0	0	0	0	110.4	L196 L199 F213 N216 T220 N239 P240 L241	L196-V218 HydrophobicContact CB-CG2 4.26Å; L196-V218 WeakPolarHBondContact O-CG2 3.39Å; L196-V218 PolarHBondContact O-N 3.25Å; L199-V218 HydrophobicContact CD1-CG1 3.93Å; L199-V218 HydrophobicContact CD1-CG2 4.3Å; L199-V218 HydrophobicContact CD2-CG2 3.84Å; L199-V218 HydrophobicContact CG-CG1 3.86Å; L199-V218 HydrophobicContact CG-CG2 3.86Å; F213-V218 HydrophobicContact CD2-CB 4.27Å; F213-V218 HydrophobicContact CD2-CG2 3.88Å; F213-V218 HydrophobicContact CE2-CB 4.16Å; F213-V218 HydrophobicContact CE2-CG1 4.22Å; F213-V218 HydrophobicContact CE2-CG2 4.24Å; N216-V218 HydrophobicContact CB-CG2 4.15Å; V218-T220 WeakPolarHBondContact CG1-O 3.26Å; V218-N239 HydrophobicContact CB-CB 4.48Å; V218-N239 WeakPolarHBondContact CB-OD1 3.31Å; V218-N239 WeakPolarHBondContact CG2-OD1 3.24Å; V218-N239 PolarHBondContact N-OD1 3.42Å; V218-P240 CarbonylContact O-C 3.56Å; V218-P240 WeakPolarHBondContact O-CD 3.09Å; V218-L241 HydrophobicContact CB-CD2 4.4Å; V218-L241 HydrophobicContact CG1-CD2 3.95Å; V218-L241 WeakPolarHBondContact O-CD2 3.32Å
219	S	91.6	Very high	93.3	Very high	44 Å²	44	46 Å²	46	31%	0.308	22%	0.219	S	C	.	.			trans	-91.8	-29.9	177.5	63.9	0	0	0	0	113.7	K217 Q242 S243	K217-S219 PolarHBondContact O-N 2.89Å; S219-Q242 PolarHBondContact O-N 2.78Å; S219-S243 PolarHBondContact O-N 3.38Å
220	T	92.8	Very high	93.1	Very high	62 Å²	62	50 Å²	50	38%	0.38	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-140.6	135.5	-176.3	-63.9	0	0	0	0	111.9	V218 S243	V218-T220 WeakPolarHBondContact CG1-O 3.26Å; T220-S243 CarbonylContact C-O 3.27Å; T220-S243 VanDerWaalsContact CA-O 3.27Å; T220-S243 WeakPolarHBondContact CA-O 3.14Å
221	I	94.1	Very high	92.9	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	22%	0.217	C	C	.	.			trans	-89.6	124.7	167.9	-52	-179	0	0	0	108.6	F213 V223 Y225 L236 L241 S243 P244 I256 L260	F213-I221 HydrophobicContact CZ-CD1 3.95Å; F213-I221 HydrophobicContact CZ-CG1 4.15Å; I221-V223 PolarHBondContact O-N 2.95Å; I221-Y225 HydrophobicContact CG2-CD2 3.51Å; I221-Y225 HydrophobicContact CG2-CE2 4.14Å; I221-Y225 HydrophobicContact CG2-CG 4.1Å; I221-L236 HydrophobicContact CD1-CD2 4.47Å; I221-L241 HydrophobicContact CD1-CD1 4.43Å; I221-L241 HydrophobicContact CD1-CD2 4.49Å; I221-L241 HydrophobicContact CG1-CD2 3.87Å; I221-S243 PolarHBondContact N-O 2.87Å; I221-P244 HydrophobicContact CD1-CG 4.22Å; I221-I256 HydrophobicContact CD1-CG2 4.2Å; I221-L260 HydrophobicContact CG2-CD1 4.07Å
222	P	93.3	Very high	92.7	Very high	17 Å²	17	52.9 Å²	52.9	11%	0.11	25%	0.251	C	S	.	.			trans	-57.7	135.8	180	-26.9	35.1	0	0	0	113.8	L199 E201 C224 Y225	L199-P222 HydrophobicContact CB-CG 4.43Å; L199-P222 VanDerWaalsContact O-CG 3.28Å; L199-P222 WeakPolarHBondContact O-CG 3.34Å; E201-P222 HydrophobicContact CG-CB 4.2Å; P222-C224 VanDerWaalsContact CB-SG 3.51Å; P222-C224 PolarHBondContact O-N 2.92Å; P222-Y225 HydrophobicContact CB-CD1 3.87Å; P222-Y225 HydrophobicContact CB-CE1 3.85Å; P222-Y225 HydrophobicContact CG-CD1 4.26Å; P222-Y225 HydrophobicContact CG-CE1 3.79Å; P222-Y225 VanDerWaalsContact O-CB 3.32Å; P222-Y225 WeakPolarHBondContact O-CB 3.49Å; P222-Y225 PolarHBondContact O-N 2.93Å
223	V	92.9	Very high	92.6	Very high	52 Å²	52	53.5 Å²	53.5	32%	0.315	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-59.1	-30.9	-178.4	175.8	0	0	0	0	112.4	I221 Y225 R226 A264	I221-V223 PolarHBondContact O-N 2.95Å; V223-Y225 PolarHBondContact O-N 3.03Å; V223-Y225 VanDerWaalsContact O-N 3.14Å; V223-R226 WeakPolarHBondContact O-CG 3.49Å; V223-R226 PolarHBondContact O-N 3.18Å; V223-A264 HydrophobicContact CG1-CB 3.5Å; V223-A264 VanDerWaalsContact CG1-CB 3.5Å
224	C	91.7	Very high	92.5	Very high	24 Å²	24	54.6 Å²	54.6	16%	0.162	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-60.2	-20	175	57.3	0	0	0	0	113.8	A204 P222 R226 K227	A204-C224 HydrophobicContact CB-CB 4.01Å; P222-C224 VanDerWaalsContact CB-SG 3.51Å; P222-C224 PolarHBondContact O-N 2.92Å; C224-R226 PolarHBondContact O-N 3.43Å; C224-K227 WeakPolarHBondContact O-CB 3.38Å; C224-K227 VanDerWaalsContact O-CG 3.31Å; C224-K227 WeakPolarHBondContact O-CG 3.37Å; C224-K227 PolarHBondContact O-N 3.33Å
225	Y	93.6	Very high	92.5	Very high	7 Å²	7	58 Å²	58	3%	0.027	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-65.5	-11.4	179.3	-72.4	19.6	0	0	0	112.6	L199 P200 L203 A204 F211 I221 P222 V223 K227 M228 F257	L199-Y225 HydrophobicContact CB-CE2 4.38Å; L199-Y225 VanDerWaalsContact CB-OH 3.26Å; L199-Y225 WeakPolarHBondContact CB-OH 3.45Å; L199-Y225 HydrophobicContact CD1-CE2 4.11Å; P200-Y225 WeakPolarHBondContact O-CE1 3.33Å; P200-Y225 PolarHBondContact O-OH 3.45Å; L203-Y225 HydrophobicContact CB-CE1 4.13Å; L203-Y225 WeakPolarHBondContact CB-OH 3.23Å; L203-Y225 WeakPolarHBondContact CD1-OH 3.43Å; A204-Y225 HydrophobicContact CB-CD1 3.87Å; A204-Y225 HydrophobicContact CB-CE1 4.31Å; F211-Y225 HydrophobicContact CE1-CE2 4.18Å; I221-Y225 HydrophobicContact CG2-CD2 3.51Å; I221-Y225 HydrophobicContact CG2-CE2 4.14Å; I221-Y225 HydrophobicContact CG2-CG 4.1Å; P222-Y225 HydrophobicContact CB-CD1 3.87Å; P222-Y225 HydrophobicContact CB-CE1 3.85Å; P222-Y225 HydrophobicContact CG-CD1 4.26Å; P222-Y225 HydrophobicContact CG-CE1 3.79Å; P222-Y225 VanDerWaalsContact O-CB 3.32Å; P222-Y225 WeakPolarHBondContact O-CB 3.49Å; P222-Y225 PolarHBondContact O-N 2.93Å; V223-Y225 PolarHBondContact O-N 3.03Å; V223-Y225 VanDerWaalsContact O-N 3.14Å; Y225-K227 PolarHBondContact O-N 2.97Å; Y225-M228 HydrophobicContact CD1-SD 4.16Å; Y225-M228 HydrophobicContact CD2-SD 3.8Å; Y225-M228 HydrophobicContact CE2-SD 4.38Å; Y225-M228 HydrophobicContact CG-SD 3.69Å; Y225-M228 WeakPolarHBondContact O-CB 3.36Å; Y225-M228 PolarHBondContact O-N 2.75Å; Y225-F257 WeakPolarHBondContact O-CE1 3.36Å
226	R	90.4	Very high	92.5	Very high	89 Å²	89	57.4 Å²	57.4	34%	0.336	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-52.5	-22.7	164.5	77	175	-179.5	171.6	-5.4	113.3	V223 C224 L260 A264 E268	V223-R226 WeakPolarHBondContact O-CG 3.49Å; V223-R226 PolarHBondContact O-N 3.18Å; C224-R226 PolarHBondContact O-N 3.43Å; R226-L260 HydrophobicContact CB-CB 4.33Å; R226-A264 VanDerWaalsContact CZ-CB 3.41Å; R226-E268 IonicContact CZ-OE1 3.27Å; R226-E268 VanDerWaalsContact CZ-OE1 3.27Å; R226-E268 IonicContact NH1-OE1 3.01Å; R226-E268 PolarHBondContact NH1-OE1 3.05Å; R226-E268 IonicContact NH1-OE2 3.7Å; R226-E268 IonicContact NH2-OE1 2.66Å; R226-E268 PolarHBondContact NH2-OE1 3.29Å
227	K	90.1	Very high	92.2	Very high	115 Å²	115	62.2 Å²	62.2	50%	0.5	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-72.3	-22.1	176.2	-66.5	-176	-170.5	-179.3	0	114.5	A204 D205 C224 Y225 R229	A204-K227 HydrophobicContact CB-CD 4.43Å; D205-K227 WeakPolarHBondContact OD1-CD 3.36Å; D205-K227 IonicContact OD1-NZ 2.68Å; D205-K227 PolarHBondContact OD1-NZ 3.19Å; C224-K227 WeakPolarHBondContact O-CB 3.38Å; C224-K227 VanDerWaalsContact O-CG 3.31Å; C224-K227 WeakPolarHBondContact O-CG 3.37Å; C224-K227 PolarHBondContact O-N 3.33Å; Y225-K227 PolarHBondContact O-N 2.97Å; K227-R229 PolarHBondContact O-N 2.67Å
228	M	92.4	Very high	92.1	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.03	30%	0.301	C	S	.	.			trans	-75.8	62.4	-168.9	-61	176.2	77.8	0	0	113.1	L208 Y225 Q230 L231 F257	L208-M228 HydrophobicContact CB-CE 4.05Å; L208-M228 HydrophobicContact CD1-CE 3.8Å; L208-M228 HydrophobicContact CG-CE 4.44Å; Y225-M228 HydrophobicContact CD1-SD 4.16Å; Y225-M228 HydrophobicContact CD2-SD 3.8Å; Y225-M228 HydrophobicContact CE2-SD 4.38Å; Y225-M228 HydrophobicContact CG-SD 3.69Å; Y225-M228 WeakPolarHBondContact O-CB 3.36Å; Y225-M228 PolarHBondContact O-N 2.75Å; M228-Q230 VanDerWaalsContact C-N 3.31Å; M228-Q230 PolarHBondContact O-N 3.35Å; M228-L231 HydrophobicContact CB-CB 4.38Å; M228-L231 HydrophobicContact CE-CD2 4.48Å; M228-L231 WeakPolarHBondContact O-CB 3.42Å; M228-L231 PolarHBondContact O-N 2.99Å; M228-F257 HydrophobicContact CB-CE1 4.1Å; M228-F257 HydrophobicContact CB-CZ 3.98Å; M228-F257 WeakPolarHBondContact O-CE1 3.28Å
229	R	85.9	Confident	91.9	Very high	227 Å²	227	63.2 Å²	63.2	86%	0.857	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-29	-171	-68	-178.1	-177.9	-167.5	1.5	114.2	K227 L231	K227-R229 PolarHBondContact O-N 2.67Å; R229-L231 VanDerWaalsContact C-N 3.29Å; R229-L231 PolarHBondContact O-N 3.13Å
230	Q	90.9	Very high	91.8	Very high	113 Å²	113	64.8 Å²	64.8	53%	0.528	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.6	-178.2	-65.8	-176	-7.9	0	0	113.8	L208 M228 Q232	L208-Q230 CarbonylContact O-C 3.4Å; L208-Q230 VanDerWaalsContact O-C 3.26Å; M228-Q230 VanDerWaalsContact C-N 3.31Å; M228-Q230 PolarHBondContact O-N 3.35Å; Q230-Q232 PolarHBondContact O-N 3.06Å
231	L	92.8	Very high	91.7	Very high	4 Å²	4	63 Å²	63	2%	0.021	30%	0.304	C	S	.	.			trans	-67.3	118.7	-177.1	-170.9	69.6	0	0	0	110.6	L208 F211 M228 R229 S233 L234 K253 F257	L208-L231 HydrophobicContact CB-CD1 4.13Å; L208-L231 WeakPolarHBondContact O-CA 3.13Å; L208-L231 PolarHBondContact O-N 3.04Å; F211-L231 HydrophobicContact CB-CD1 3.74Å; M228-L231 HydrophobicContact CB-CB 4.38Å; M228-L231 HydrophobicContact CE-CD2 4.48Å; M228-L231 WeakPolarHBondContact O-CB 3.42Å; M228-L231 PolarHBondContact O-N 2.99Å; R229-L231 VanDerWaalsContact C-N 3.29Å; R229-L231 PolarHBondContact O-N 3.13Å; L231-S233 WeakPolarHBondContact CD1-O 3.47Å; L231-L234 HydrophobicContact CD2-CB 4.03Å; L231-L234 HydrophobicContact CD2-CD1 4.08Å; L231-L234 HydrophobicContact CD2-CD2 4.19Å; L231-L234 HydrophobicContact CD2-CG 4.32Å; L231-K253 HydrophobicContact CB-CD 4.5Å; L231-K253 HydrophobicContact CD2-CD 4.24Å; L231-K253 HydrophobicContact CG-CD 4.18Å; L231-K253 WeakPolarHBondContact O-CD 3.28Å; L231-K253 WeakPolarHBondContact O-CE 3.39Å; L231-K253 PolarHBondContact O-NZ 3.32Å; L231-F257 HydrophobicContact CB-CZ 4.48Å; L231-F257 HydrophobicContact CD2-CE2 4.1Å; L231-F257 HydrophobicContact CD2-CZ 3.84Å
232	Q	92	Very high	91.4	Very high	153 Å²	153	69.5 Å²	69.5	72%	0.715	33%	0.334	S	S	*	.			trans	-96	-55.8	177.7	-63.7	177.6	6.4	0	0	110.6	V209 Q230	V209-Q232 HydrophobicContact CG1-CB 4.2Å; V209-Q232 HydrophobicContact CG1-CG 3.96Å; V209-Q232 PolarHBondContact O-N 2.87Å; Q230-Q232 PolarHBondContact O-N 3.06Å
233	S	92.8	Very high	91.2	Very high	40 Å²	40	70 Å²	70	28%	0.28	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	131	178.4	-171.6	0	0	0	0	111.1	V209 F211 L231 Q235	V209-S233 PolarHBondContact O-N 3.41Å; F211-S233 PolarHBondContact N-O 3.41Å; L231-S233 WeakPolarHBondContact CD1-O 3.47Å; S233-Q235 PolarHBondContact OG-NE2 2.96Å
234	L	94.5	Very high	91	Very high	24 Å²	24	67.5 Å²	67.5	13%	0.126	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	114.6	174.8	-179.9	57.1	0	0	0	109.3	F211 F213 L231 L236 K253 I256 F257	F211-L234 HydrophobicContact CB-CD1 4.15Å; F211-L234 HydrophobicContact CD1-CD1 3.68Å; F211-L234 HydrophobicContact CG-CD1 4.26Å; F211-L234 WeakPolarHBondContact O-CA 3.45Å; F213-L234 HydrophobicContact CD1-CD1 4.23Å; F213-L234 HydrophobicContact CE1-CD1 3.78Å; L231-L234 HydrophobicContact CD2-CB 4.03Å; L231-L234 HydrophobicContact CD2-CD1 4.08Å; L231-L234 HydrophobicContact CD2-CD2 4.19Å; L231-L234 HydrophobicContact CD2-CG 4.32Å; L234-L236 HydrophobicContact CD2-CD2 4.24Å; L234-L236 HydrophobicContact CG-CD2 4.19Å; L234-K253 HydrophobicContact CB-CB 4.27Å; L234-K253 HydrophobicContact CB-CD 4.11Å; L234-K253 HydrophobicContact CB-CG 3.93Å; L234-K253 HydrophobicContact CD2-CG 4.05Å; L234-I256 HydrophobicContact CD2-CD1 4.48Å; L234-F257 HydrophobicContact CD2-CE2 4.17Å
235	Q	93.9	Very high	90.9	Very high	73 Å²	73	68.5 Å²	68.5	34%	0.341	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127	-179.8	-57.8	-59.8	-30.6	0	0	109.8	F211 D212 F213 S214 S233	F211-Q235 PolarHBondContact O-N 3.25Å; D212-Q235 HydrophobicContact CB-CB 3.87Å; D212-Q235 HydrophobicContact CB-CG 4.42Å; D212-Q235 VanDerWaalsContact CG-CB 3.45Å; D212-Q235 WeakPolarHBondContact OD1-CB 3.41Å; F213-Q235 PolarHBondContact N-O 3.15Å; S214-Q235 PolarHBondContact N-O 3.42Å; S233-Q235 PolarHBondContact OG-NE2 2.96Å
236	L	93.4	Very high	90.6	Very high	20 Å²	20	70.8 Å²	70.8	11%	0.105	35%	0.349	C	S	.	.			trans	-146.5	1.6	-167.7	59.2	85.5	0	0	0	113.7	F213 I221 L234 N239 L241 C249 I256	F213-L236 HydrophobicContact CD1-CB 4.41Å; F213-L236 HydrophobicContact CD2-CB 4.42Å; F213-L236 HydrophobicContact CE1-CB 3.76Å; F213-L236 HydrophobicContact CE2-CB 3.76Å; F213-L236 HydrophobicContact CZ-CB 3.39Å; I221-L236 HydrophobicContact CD1-CD2 4.47Å; L234-L236 HydrophobicContact CD2-CD2 4.24Å; L234-L236 HydrophobicContact CG-CD2 4.19Å; L236-N239 PolarHBondContact O-ND2 3.01Å; L236-L241 HydrophobicContact CB-CD1 4.46Å; L236-L241 HydrophobicContact CD1-CD1 3.9Å; L236-C249 HydrophobicContact CD1-CB 3.87Å; L236-I256 HydrophobicContact CD2-CD1 3.33Å
237	E	90.1	Very high	90.5	Very high	111 Å²	111	73 Å²	73	52%	0.519	36%	0.363	S	S	.	.			trans	-51.3	152.7	-178.9	-56.9	-176.5	144.1	0	0	112	S214 C215 N239	S214-E237 CarbonylContact C-O 3.26Å; S214-E237 WeakPolarHBondContact CA-O 3.24Å; S214-E237 VanDerWaalsContact CB-O 3.24Å; S214-E237 WeakPolarHBondContact CB-O 3.2Å; C215-E237 PolarHBondContact N-O 3.06Å; E237-N239 PolarHBondContact O-N 3.4Å; E237-N239 PolarHBondContact O-ND2 3.22Å
238	N	90.3	Very high	90.5	Very high	119 Å²	119	69.4 Å²	69.4	64%	0.636	35%	0.349	S	S	*	.	S	Bend	trans	55.6	49.1	179.3	-50.1	-44.1	0	0	0	113	C215 N216	C215-N238 WeakPolarHBondContact CA-O 3.44Å; C215-N238 HydrophobicContact CB-CB 4.39Å; C215-N238 PolarHBondContact N-O 3.01Å; C215-N238 PolarHBondContact SG-ND2 3.5Å; N216-N238 PolarHBondContact N-O 2.92Å
239	N	90.4	Very high	90.4	Very high	23 Å²	23	69.9 Å²	69.9	12%	0.123	35%	0.353	C	S	.	.			trans	-124.2	145.4	165.7	-81.4	-87.7	0	0	0	109.5	F213 N216 V218 L236 E237 L241	F213-N239 PolarHBondContact O-ND2 3.48Å; N216-N239 VanDerWaalsContact CA-OD1 3.32Å; N216-N239 WeakPolarHBondContact CA-OD1 3.19Å; N216-N239 WeakPolarHBondContact CB-OD1 3.28Å; N216-N239 PolarHBondContact N-OD1 2.91Å; N216-N239 PolarHBondContact O-OD1 2.55Å; V218-N239 HydrophobicContact CB-CB 4.48Å; V218-N239 WeakPolarHBondContact CB-OD1 3.31Å; V218-N239 WeakPolarHBondContact CG2-OD1 3.24Å; V218-N239 PolarHBondContact N-OD1 3.42Å; L236-N239 PolarHBondContact O-ND2 3.01Å; E237-N239 PolarHBondContact O-N 3.4Å; E237-N239 PolarHBondContact O-ND2 3.22Å; N239-L241 HydrophobicContact CB-CD1 4.19Å; N239-L241 HydrophobicContact CB-CG 3.87Å; N239-L241 PolarHBondContact O-N 3.43Å
240	P	89.5	Confident	90.5	Very high	78 Å²	78	66 Å²	66	51%	0.506	35%	0.348	S	S	.	.			trans	-77.3	52.1	177.7	35.3	-37.8	0	0	0	112.3	V218 Q242	V218-P240 CarbonylContact O-C 3.56Å; V218-P240 WeakPolarHBondContact O-CD 3.09Å; P240-Q242 PolarHBondContact O-N 3.13Å
241	L	90.2	Very high	90.4	Very high	23 Å²	23	67 Å²	67	12%	0.12	35%	0.351	C	S	.	.			trans	-68.7	114.6	-173.8	-73.7	168.5	0	0	0	112.1	V218 I221 L236 N239	V218-L241 HydrophobicContact CB-CD2 4.4Å; V218-L241 HydrophobicContact CG1-CD2 3.95Å; V218-L241 WeakPolarHBondContact O-CD2 3.32Å; I221-L241 HydrophobicContact CD1-CD1 4.43Å; I221-L241 HydrophobicContact CD1-CD2 4.49Å; I221-L241 HydrophobicContact CG1-CD2 3.87Å; L236-L241 HydrophobicContact CB-CD1 4.46Å; L236-L241 HydrophobicContact CD1-CD1 3.9Å; N239-L241 HydrophobicContact CB-CD1 4.19Å; N239-L241 HydrophobicContact CB-CG 3.87Å; N239-L241 PolarHBondContact O-N 3.43Å
242	Q	87.9	Confident	90.2	Very high	141 Å²	141	68.2 Å²	68.2	66%	0.659	36%	0.364	S	S	*	.			trans	-86.5	-37.9	169.8	-60.7	179	0.7	0	0	110.8	S219 P240	S219-Q242 PolarHBondContact O-N 2.78Å; P240-Q242 PolarHBondContact O-N 3.13Å
243	S	88.6	Confident	90.2	Very high	27 Å²	27	63.4 Å²	63.4	19%	0.189	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-136.3	114.7	178.3	-175.4	0	0	0	0	111.4	S219 T220 I221 Y259	S219-S243 PolarHBondContact O-N 3.38Å; T220-S243 CarbonylContact C-O 3.27Å; T220-S243 VanDerWaalsContact CA-O 3.27Å; T220-S243 WeakPolarHBondContact CA-O 3.14Å; I221-S243 PolarHBondContact N-O 2.87Å; S243-Y259 PolarHBondContact OG-OH 2.94Å
244	P	88.8	Confident	90.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.359	C	S	.	.	S	Bend	cis	-67.7	152.2	0.3	-12.9	26.9	0	0	0	112.8	I221 I248 C249 I256 Y259	I221-P244 HydrophobicContact CD1-CG 4.22Å; P244-I248 HydrophobicContact CB-CB 4.09Å; P244-I248 HydrophobicContact CB-CG2 4.11Å; P244-C249 PolarHBondContact O-SG 2.92Å; P244-C249 VanDerWaalsContact O-SG 3.35Å; P244-I256 HydrophobicContact CG-CB 4.48Å; P244-I256 HydrophobicContact CG-CG1 4.31Å; P244-I256 HydrophobicContact CG-CG2 3.93Å; P244-Y259 HydrophobicContact CB-CD1 3.57Å; P244-Y259 HydrophobicContact CB-CE1 3.8Å; P244-Y259 HydrophobicContact CB-CG 4.22Å; P244-Y259 HydrophobicContact CG-CD1 3.74Å; P244-Y259 HydrophobicContact CG-CE1 4.1Å
245	P	89.6	Confident	90.1	Very high	46 Å²	46	70 Å²	70	30%	0.299	37%	0.374	S	S	.	.			trans	-56.7	149.9	171.6	-27.1	35.1	0	0	0	113.4	Q247 I248 C249	P245-Q247 PolarHBondContact O-N 3.04Å; P245-Q247 VanDerWaalsContact O-N 3.09Å; P245-I248 WeakPolarHBondContact O-CA 3.41Å; P245-I248 WeakPolarHBondContact O-CB 3.39Å; P245-I248 PolarHBondContact O-N 3.01Å; P245-C249 PolarHBondContact O-N 3.32Å; P245-C249 VanDerWaalsContact O-N 3.15Å
246	A	87.4	Confident	90	Very high	54 Å²	54	66.5 Å²	66.5	45%	0.446	36%	0.358	S	S	.	.	H	α-helix	trans	-51.7	-36.9	-177.1	0	0	0	0	0	114.2	I248 C249 I250	A246-I248 PolarHBondContact O-N 2.79Å; A246-C249 PolarHBondContact O-N 3.15Å; A246-I250 WeakPolarHBondContact O-CD1 3.49Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 2.89Å
247	Q	88.3	Confident	90.1	Very high	135 Å²	135	66.9 Å²	66.9	63%	0.631	36%	0.358	S	S	*	.	H	α-helix	trans	-67.8	-16.4	178.4	-51.9	85.8	-12.5	0	0	113.6	P245 K251	P245-Q247 PolarHBondContact O-N 3.04Å; P245-Q247 VanDerWaalsContact O-N 3.09Å; Q247-K251 WeakPolarHBondContact O-CD 3.31Å; Q247-K251 WeakPolarHBondContact O-CE 3.41Å; Q247-K251 WeakPolarHBondContact O-CG 3.08Å
248	I	90.1	Very high	90.2	Very high	40 Å²	40	68.3 Å²	68.3	21%	0.205	36%	0.363	C	S	.	.	H	α-helix	trans	-91.5	-42.4	171.8	-55.1	-170	0	0	0	109.5	P244 P245 A246 I250 K251 H255 I256 Y259	P244-I248 HydrophobicContact CB-CB 4.09Å; P244-I248 HydrophobicContact CB-CG2 4.11Å; P245-I248 WeakPolarHBondContact O-CA 3.41Å; P245-I248 WeakPolarHBondContact O-CB 3.39Å; P245-I248 PolarHBondContact O-N 3.01Å; A246-I248 PolarHBondContact O-N 2.79Å; I248-I250 PolarHBondContact O-N 3.49Å; I248-K251 WeakPolarHBondContact O-CB 3.24Å; I248-K251 PolarHBondContact O-N 2.78Å; I248-H255 HydrophobicContact CG2-CB 4.04Å; I248-H255 WeakPolarHBondContact CG2-O 3.33Å; I248-I256 HydrophobicContact CG2-CG1 4.3Å; I248-Y259 HydrophobicContact CD1-CD2 3.37Å; I248-Y259 HydrophobicContact CD1-CE2 4.04Å; I248-Y259 HydrophobicContact CD1-CG 3.74Å
249	C	89.9	Confident	90.3	Very high	17 Å²	17	64.6 Å²	64.6	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-58.5	-43.7	177.5	-68.1	0	0	0	0	112.8	L236 P244 P245 A246 K251 G252	L236-C249 HydrophobicContact CD1-CB 3.87Å; P244-C249 PolarHBondContact O-SG 2.92Å; P244-C249 VanDerWaalsContact O-SG 3.35Å; P245-C249 PolarHBondContact O-N 3.32Å; P245-C249 VanDerWaalsContact O-N 3.15Å; A246-C249 PolarHBondContact O-N 3.15Å; C249-K251 PolarHBondContact O-N 3.42Å; C249-G252 PolarHBondContact O-N 3.38Å
250	I	89.2	Confident	90.4	Very high	146 Å²	146	63.5 Å²	63.5	75%	0.749	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.4	175.4	-67.4	161.7	0	0	0	112.2	A246 I248 G252	A246-I250 WeakPolarHBondContact O-CD1 3.49Å; A246-I250 VanDerWaalsContact O-CG1 3.31Å; A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 2.89Å; I248-I250 PolarHBondContact O-N 3.49Å; I250-G252 VanDerWaalsContact C-N 3.26Å; I250-G252 PolarHBondContact O-N 3.36Å
251	K	88.2	Confident	90.6	Very high	133 Å²	133	62.1 Å²	62.1	58%	0.578	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	7	176.7	-59	179.8	-178.9	-175	0	113.6	Q247 I248 C249 H255	Q247-K251 WeakPolarHBondContact O-CD 3.31Å; Q247-K251 WeakPolarHBondContact O-CE 3.41Å; Q247-K251 WeakPolarHBondContact O-CG 3.08Å; I248-K251 WeakPolarHBondContact O-CB 3.24Å; I248-K251 PolarHBondContact O-N 2.78Å; C249-K251 PolarHBondContact O-N 3.42Å; K251-H255 HydrophobicContact CB-CB 3.74Å; K251-H255 VanDerWaalsContact CB-CG 3.48Å; K251-H255 WeakPolarHBondContact CB-ND1 3.35Å; K251-H255 PolarHBondContact O-ND1 3.49Å
252	G	89.2	Confident	90.7	Very high	30 Å²	30	64.8 Å²	64.8	31%	0.309	34%	0.34	S	S	.	.	H	α-helix	trans	71.2	-175.8	169.1	0	0	0	0	0	116.1	C249 I250 V254 H255 I256	C249-G252 PolarHBondContact O-N 3.38Å; I250-G252 VanDerWaalsContact C-N 3.26Å; I250-G252 PolarHBondContact O-N 3.36Å; G252-V254 VanDerWaalsContact C-N 3.32Å; G252-V254 PolarHBondContact O-N 3.47Å; G252-V254 VanDerWaalsContact O-N 3.11Å; G252-H255 PolarHBondContact O-N 3.29Å; G252-H255 VanDerWaalsContact O-N 3.07Å; G252-I256 PolarHBondContact O-N 3.21Å
253	K	91.9	Very high	90.8	Very high	52 Å²	52	60.3 Å²	60.3	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-48.4	-44.1	-167.1	-163.3	-171.7	84.2	89.4	0	114.5	L231 L234 H255 I256 F257	L231-K253 HydrophobicContact CB-CD 4.5Å; L231-K253 HydrophobicContact CD2-CD 4.24Å; L231-K253 HydrophobicContact CG-CD 4.18Å; L231-K253 WeakPolarHBondContact O-CD 3.28Å; L231-K253 WeakPolarHBondContact O-CE 3.39Å; L231-K253 PolarHBondContact O-NZ 3.32Å; L234-K253 HydrophobicContact CB-CB 4.27Å; L234-K253 HydrophobicContact CB-CD 4.11Å; L234-K253 HydrophobicContact CB-CG 3.93Å; L234-K253 HydrophobicContact CD2-CG 4.05Å; K253-H255 PolarHBondContact O-N 3.07Å; K253-I256 PolarHBondContact O-N 3.27Å; K253-F257 HydrophobicContact CD-CE2 4.31Å; K253-F257 HydrophobicContact CG-CD2 3.77Å; K253-F257 HydrophobicContact CG-CE2 3.64Å; K253-F257 HydrophobicContact CG-CZ 4.49Å; K253-F257 WeakPolarHBondContact O-CD2 3.49Å; K253-F257 PolarHBondContact O-N 3.42Å
254	V	91.7	Very high	90.8	Very high	110 Å²	110	59.2 Å²	59.2	67%	0.667	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-41.9	-176.2	-177.9	0	0	0	0	111.6	G252 K258	G252-V254 VanDerWaalsContact C-N 3.32Å; G252-V254 PolarHBondContact O-N 3.47Å; G252-V254 VanDerWaalsContact O-N 3.11Å; V254-K258 WeakPolarHBondContact O-CB 3.47Å; V254-K258 PolarHBondContact O-N 3.34Å
255	H	92.4	Very high	90.7	Very high	91 Å²	91	61.8 Å²	61.8	42%	0.421	33%	0.329	S	S	.	.	H	α-helix	trans	-72.7	-36.9	180	-69.7	91.2	0	0	0	112	I248 K251 G252 K253 K258 Y259	I248-H255 HydrophobicContact CG2-CB 4.04Å; I248-H255 WeakPolarHBondContact CG2-O 3.33Å; K251-H255 HydrophobicContact CB-CB 3.74Å; K251-H255 VanDerWaalsContact CB-CG 3.48Å; K251-H255 WeakPolarHBondContact CB-ND1 3.35Å; K251-H255 PolarHBondContact O-ND1 3.49Å; G252-H255 PolarHBondContact O-N 3.29Å; G252-H255 VanDerWaalsContact O-N 3.07Å; K253-H255 PolarHBondContact O-N 3.07Å; H255-K258 PolarHBondContact O-N 3.13Å; H255-Y259 WeakPolarHBondContact O-CB 3.26Å; H255-Y259 PolarHBondContact O-N 3.22Å
256	I	93.4	Very high	90.5	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-50.8	172.8	-66.5	162.4	0	0	0	110.6	I221 L234 L236 P244 I248 G252 K253 K258 Y259 L260	I221-I256 HydrophobicContact CD1-CG2 4.2Å; L234-I256 HydrophobicContact CD2-CD1 4.48Å; L236-I256 HydrophobicContact CD2-CD1 3.33Å; P244-I256 HydrophobicContact CG-CB 4.48Å; P244-I256 HydrophobicContact CG-CG1 4.31Å; P244-I256 HydrophobicContact CG-CG2 3.93Å; I248-I256 HydrophobicContact CG2-CG1 4.3Å; G252-I256 PolarHBondContact O-N 3.21Å; K253-I256 PolarHBondContact O-N 3.27Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.21Å; I256-Y259 WeakPolarHBondContact O-CB 3.28Å; I256-Y259 PolarHBondContact O-N 2.9Å; I256-Y259 VanDerWaalsContact O-N 3.11Å; I256-L260 HydrophobicContact CG2-CD1 3.95Å; I256-L260 HydrophobicContact CG2-CG 4.35Å; I256-L260 WeakPolarHBondContact O-CG 3.39Å; I256-L260 PolarHBondContact O-N 3.05Å
257	F	93.9	Very high	89.8	Confident	28 Å²	28	67.5 Å²	67.5	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-64.4	-36.2	-179.8	-85.1	-119.7	0	0	0	111.9	Y225 M228 L231 L234 K253 S261	Y225-F257 WeakPolarHBondContact O-CE1 3.36Å; M228-F257 HydrophobicContact CB-CE1 4.1Å; M228-F257 HydrophobicContact CB-CZ 3.98Å; M228-F257 WeakPolarHBondContact O-CE1 3.28Å; L231-F257 HydrophobicContact CB-CZ 4.48Å; L231-F257 HydrophobicContact CD2-CE2 4.1Å; L231-F257 HydrophobicContact CD2-CZ 3.84Å; L234-F257 HydrophobicContact CD2-CE2 4.17Å; K253-F257 HydrophobicContact CD-CE2 4.31Å; K253-F257 HydrophobicContact CG-CD2 3.77Å; K253-F257 HydrophobicContact CG-CE2 3.64Å; K253-F257 HydrophobicContact CG-CZ 4.49Å; K253-F257 WeakPolarHBondContact O-CD2 3.49Å; K253-F257 PolarHBondContact O-N 3.42Å; F257-S261 WeakPolarHBondContact O-CB 3.19Å; F257-S261 PolarHBondContact O-N 3.19Å; F257-S261 PolarHBondContact O-OG 3.03Å
258	K	92.6	Very high	88.5	Confident	141 Å²	141	65.9 Å²	65.9	61%	0.613	34%	0.337	S	S	*	.	H	α-helix	trans	-63.6	-42.5	171.8	-174	171.6	-178.5	173.9	0	111.9	V254 H255 I256 S261 I262	V254-K258 WeakPolarHBondContact O-CB 3.47Å; V254-K258 PolarHBondContact O-N 3.34Å; H255-K258 PolarHBondContact O-N 3.13Å; I256-K258 VanDerWaalsContact C-N 3.31Å; I256-K258 PolarHBondContact O-N 3.21Å; K258-S261 PolarHBondContact O-N 3.44Å; K258-I262 HydrophobicContact CG-CD1 4.08Å; K258-I262 WeakPolarHBondContact O-CD1 3.27Å; K258-I262 VanDerWaalsContact O-CG1 3.3Å; K258-I262 WeakPolarHBondContact O-CG1 3.28Å; K258-I262 PolarHBondContact O-N 2.87Å
259	Y	93.3	Very high	86.8	Confident	40 Å²	40	72.1 Å²	72.1	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-52.5	175.2	172.7	-97.3	0	0	0	112	S243 P244 I248 H255 I256 S261 I262 E263	S243-Y259 PolarHBondContact OG-OH 2.94Å; P244-Y259 HydrophobicContact CB-CD1 3.57Å; P244-Y259 HydrophobicContact CB-CE1 3.8Å; P244-Y259 HydrophobicContact CB-CG 4.22Å; P244-Y259 HydrophobicContact CG-CD1 3.74Å; P244-Y259 HydrophobicContact CG-CE1 4.1Å; I248-Y259 HydrophobicContact CD1-CD2 3.37Å; I248-Y259 HydrophobicContact CD1-CE2 4.04Å; I248-Y259 HydrophobicContact CD1-CG 3.74Å; H255-Y259 WeakPolarHBondContact O-CB 3.26Å; H255-Y259 PolarHBondContact O-N 3.22Å; I256-Y259 WeakPolarHBondContact O-CB 3.28Å; I256-Y259 PolarHBondContact O-N 2.9Å; I256-Y259 VanDerWaalsContact O-N 3.11Å; Y259-S261 PolarHBondContact O-N 3.33Å; Y259-I262 PolarHBondContact O-N 3.5Å; Y259-E263 PolarHBondContact O-N 3.49Å
260	L	93.1	Very high	84.9	Confident	1 Å²	1	78.3 Å²	78.3	1%	0.005	39%	0.392	C	S	.	.	H	α-helix	trans	-59.7	-32.9	178.5	-61.9	173.7	0	0	0	112	I221 R226 I256 A264	I221-L260 HydrophobicContact CG2-CD1 4.07Å; R226-L260 HydrophobicContact CB-CB 4.33Å; I256-L260 HydrophobicContact CG2-CD1 3.95Å; I256-L260 HydrophobicContact CG2-CG 4.35Å; I256-L260 WeakPolarHBondContact O-CG 3.39Å; I256-L260 PolarHBondContact O-N 3.05Å; L260-A264 WeakPolarHBondContact O-CB 3.37Å; L260-A264 PolarHBondContact O-N 3.11Å
261	S	92.7	Very high	82.7	Confident	48 Å²	48	75.5 Å²	75.5	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-68.8	-41.1	174	-57.8	0	0	0	0	112.7	F257 K258 Y259 C265	F257-S261 WeakPolarHBondContact O-CB 3.19Å; F257-S261 PolarHBondContact O-N 3.19Å; F257-S261 PolarHBondContact O-OG 3.03Å; K258-S261 PolarHBondContact O-N 3.44Å; Y259-S261 PolarHBondContact O-N 3.33Å; S261-C265 PolarHBondContact O-N 3.34Å; S261-C265 PolarHBondContact O-SG 3.36Å; S261-C265 VanDerWaalsContact O-SG 3.39Å
262	I	91.9	Very high	80.2	Confident	80 Å²	80	77.3 Å²	77.3	41%	0.41	40%	0.399	S	S	.	.	H	α-helix	trans	-67	-41.5	175.1	-69.8	163.8	0	0	0	110.8	K258 Y259 C265 R266	K258-I262 HydrophobicContact CG-CD1 4.08Å; K258-I262 WeakPolarHBondContact O-CD1 3.27Å; K258-I262 VanDerWaalsContact O-CG1 3.3Å; K258-I262 WeakPolarHBondContact O-CG1 3.28Å; K258-I262 PolarHBondContact O-N 2.87Å; Y259-I262 PolarHBondContact O-N 3.5Å; I262-C265 CarbonylContact O-C 3.51Å; I262-C265 PolarHBondContact O-N 3.43Å; I262-R266 PolarHBondContact O-N 3.29Å; I262-R266 VanDerWaalsContact O-N 3.1Å
263	E	90.3	Very high	77.9	Confident	47 Å²	47	79.9 Å²	79.9	22%	0.22	41%	0.412	C	S	.	.	H	α-helix	trans	-67.2	-42	-177.8	-153.9	60.6	-152	0	0	111.5	Y259 C265 R266 S267	Y259-E263 PolarHBondContact O-N 3.49Å; E263-C265 VanDerWaalsContact C-N 3.29Å; E263-C265 PolarHBondContact O-N 3.14Å; E263-R266 WeakPolarHBondContact O-CA 3.18Å; E263-R266 WeakPolarHBondContact O-CB 3.34Å; E263-R266 PolarHBondContact O-N 2.72Å; E263-R266 IonicContact OE1-NH1 3.89Å; E263-R266 WeakPolarHBondContact OE2-CD 3.06Å; E263-R266 IonicContact OE2-CZ 3.65Å; E263-R266 IonicContact OE2-NE 3.9Å; E263-R266 IonicContact OE2-NH1 2.67Å; E263-R266 PolarHBondContact OE2-NH1 3.42Å; E263-S267 PolarHBondContact O-N 2.83Å; E263-S267 PolarHBondContact O-OG 3.26Å
264	A	89.1	Confident	75.3	Confident	3 Å²	3	85.2 Å²	85.2	3%	0.025	44%	0.443	C	S	.	.	H	α-helix	trans	-54.2	-46	169.7	0	0	0	0	0	112	V223 R226 L260 R266 S267 E268	V223-A264 HydrophobicContact CG1-CB 3.5Å; V223-A264 VanDerWaalsContact CG1-CB 3.5Å; R226-A264 VanDerWaalsContact CZ-CB 3.41Å; L260-A264 WeakPolarHBondContact O-CB 3.37Å; L260-A264 PolarHBondContact O-N 3.11Å; A264-R266 PolarHBondContact O-N 2.68Å; A264-S267 PolarHBondContact O-N 3Å; A264-E268 WeakPolarHBondContact O-CB 3.39Å; A264-E268 WeakPolarHBondContact O-CG 3.39Å; A264-E268 PolarHBondContact O-N 2.8Å
265	C	87.2	Confident	72.6	Confident	54 Å²	54	90.2 Å²	90.2	37%	0.365	45%	0.451	S	S	.	.	H	α-helix	trans	-73.6	-2.4	178	-64.1	0	0	0	0	114.7	S261 I262 E263 E268 K269	S261-C265 PolarHBondContact O-N 3.34Å; S261-C265 PolarHBondContact O-SG 3.36Å; S261-C265 VanDerWaalsContact O-SG 3.39Å; I262-C265 CarbonylContact O-C 3.51Å; I262-C265 PolarHBondContact O-N 3.43Å; E263-C265 VanDerWaalsContact C-N 3.29Å; E263-C265 PolarHBondContact O-N 3.14Å; C265-E268 WeakPolarHBondContact CA-OE2 3.28Å; C265-E268 PolarHBondContact SG-OE2 2.78Å; C265-K269 VanDerWaalsContact O-CD 3.32Å; C265-K269 WeakPolarHBondContact O-CD 3.22Å; C265-K269 WeakPolarHBondContact O-CG 3.41Å
266	R	84.6	Confident	69.6	Low	144 Å²	144	93.6 Å²	93.6	54%	0.543	47%	0.471	S	S	.	.	H	α-helix	trans	-88.7	-47.1	164.1	-69.5	166.9	168.7	170.9	-8.4	110.3	I262 E263 A264 E268 K269	I262-R266 PolarHBondContact O-N 3.29Å; I262-R266 VanDerWaalsContact O-N 3.1Å; E263-R266 WeakPolarHBondContact O-CA 3.18Å; E263-R266 WeakPolarHBondContact O-CB 3.34Å; E263-R266 PolarHBondContact O-N 2.72Å; E263-R266 IonicContact OE1-NH1 3.89Å; E263-R266 WeakPolarHBondContact OE2-CD 3.06Å; E263-R266 IonicContact OE2-CZ 3.65Å; E263-R266 IonicContact OE2-NE 3.9Å; E263-R266 IonicContact OE2-NH1 2.67Å; E263-R266 PolarHBondContact OE2-NH1 3.42Å; A264-R266 PolarHBondContact O-N 2.68Å; R266-E268 VanDerWaalsContact C-N 3.34Å; R266-E268 PolarHBondContact O-N 2.62Å; R266-K269 PolarHBondContact O-N 2.69Å; R266-K269 VanDerWaalsContact O-N 3.08Å
267	S	72.8	Confident	67	Low	77 Å²	77	98.4 Å²	98.4	54%	0.538	50%	0.502	S	S	.	.	H	α-helix	trans	-58.6	-44	174	-51.3	0	0	0	0	112	E263 A264 K269 M270	E263-S267 PolarHBondContact O-N 2.83Å; E263-S267 PolarHBondContact O-OG 3.26Å; A264-S267 PolarHBondContact O-N 3Å; S267-K269 PolarHBondContact O-N 3.45Å; S267-K269 VanDerWaalsContact O-N 3.11Å; S267-M270 PolarHBondContact O-N 3.18Å; S267-M270 VanDerWaalsContact O-N 3.09Å
268	E	61.9	Low	63.8	Low	101 Å²	101	103.7 Å²	103.7	47%	0.472	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-10.6	176	-70	161.5	178.8	0	0	113.8	R226 A264 C265 R266 P271	R226-E268 IonicContact CZ-OE1 3.27Å; R226-E268 VanDerWaalsContact CZ-OE1 3.27Å; R226-E268 IonicContact NH1-OE1 3.01Å; R226-E268 PolarHBondContact NH1-OE1 3.05Å; R226-E268 IonicContact NH1-OE2 3.7Å; R226-E268 IonicContact NH2-OE1 2.66Å; R226-E268 PolarHBondContact NH2-OE1 3.29Å; A264-E268 WeakPolarHBondContact O-CB 3.39Å; A264-E268 WeakPolarHBondContact O-CG 3.39Å; A264-E268 PolarHBondContact O-N 2.8Å; C265-E268 WeakPolarHBondContact CA-OE2 3.28Å; C265-E268 PolarHBondContact SG-OE2 2.78Å; R266-E268 VanDerWaalsContact C-N 3.34Å; R266-E268 PolarHBondContact O-N 2.62Å; E268-P271 VanDerWaalsContact C-CD 3.5Å; E268-P271 VanDerWaalsContact O-CD 3.27Å; E268-P271 WeakPolarHBondContact O-CD 3.12Å
269	K	54.3	Low	60.9	Low	170 Å²	170	105 Å²	105	74%	0.739	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	2.9	175.9	-69.1	-179.4	-175.7	-177.8	0	114	C265 R266 S267 P271	C265-K269 VanDerWaalsContact O-CD 3.32Å; C265-K269 WeakPolarHBondContact O-CD 3.22Å; C265-K269 WeakPolarHBondContact O-CG 3.41Å; R266-K269 PolarHBondContact O-N 2.69Å; R266-K269 VanDerWaalsContact O-N 3.08Å; S267-K269 PolarHBondContact O-N 3.45Å; S267-K269 VanDerWaalsContact O-N 3.11Å; K269-P271 VanDerWaalsContact C-CD 3.4Å
270	M	48.6	Very low	57.8	Low	147 Å²	147	111.7 Å²	111.7	72%	0.724	58%	0.58	S	S	*	*	S	Bend	trans	-109.8	11.1	172.5	-82	-75.7	161.3	0	0	116.7	S267	S267-M270 PolarHBondContact O-N 3.18Å; S267-M270 VanDerWaalsContact O-N 3.09Å
271	P	43.2	Very low	54.6	Low	88 Å²	88	123 Å²	123	57%	0.571	62%	0.622	S	S	*	*	S	Bend	trans	-82.1	-24.2	175.8	34.4	-34.8	0	0	0	113.8	E268 K269 S273	E268-P271 VanDerWaalsContact C-CD 3.5Å; E268-P271 VanDerWaalsContact O-CD 3.27Å; E268-P271 WeakPolarHBondContact O-CD 3.12Å; K269-P271 VanDerWaalsContact C-CD 3.4Å; P271-S273 VanDerWaalsContact C-N 3.26Å; P271-S273 PolarHBondContact O-N 2.85Å
272	D	35.6	Very low	51.5	Low	170 Å²	170	128.1 Å²	128.1	91%	0.909	65%	0.645	S	S	*	*	S	Bend	trans	-85.8	13.4	-172.7	-105.4	4	0	0	0	114.2
273	S	41.1	Very low	48.3	Very low	84 Å²	84	129.5 Å²	129.5	59%	0.587	66%	0.662	S	S	*	*	S	Bend	trans	-136.4	131.8	168.4	-152.4	0	0	0	0	110.1	P271	P271-S273 VanDerWaalsContact C-N 3.26Å; P271-S273 PolarHBondContact O-N 2.85Å
274	L	38.3	Very low	45.2	Very low	165 Å²	165	136 Å²	136	86%	0.864	69%	0.69	S	S	*	*			trans	74.7	65.5	-177.9	-49.4	178.7	0	0	0	116.5
275	Y	33.3	Very low	42.1	Very low	215 Å²	215	142.7 Å²	142.7	84%	0.843	73%	0.73	S	S	*	*			trans	-113.2	99.2	145.4	-132.3	-92.7	0	0	0	110.6
276	L	31.5	Very low	39.1	Very low	162 Å²	162	151 Å²	151	85%	0.848	75%	0.754	S	S	*	*			trans	-127.1	113.8	163.5	-107.8	177.9	0	0	0	108	V278	L276-V278 PolarHBondContact O-N 3.26Å
277	P	37.7	Very low	36.9	Very low	101 Å²	101	149.7 Å²	149.7	66%	0.656	76%	0.764	S	S	*	*			trans	-83.2	116.9	-173.8	31.3	-32.9	0	0	0	111.3
278	V	27.1	Very low	34.5	Very low	140 Å²	140	151.4 Å²	151.4	85%	0.848	78%	0.776	S	S	*	*			trans	-111.2	91.6	163.8	-176.7	0	0	0	0	108.5	L276	L276-V278 PolarHBondContact O-N 3.26Å
279	M	31.3	Very low	32.8	Very low	169 Å²	169	152.8 Å²	152.8	83%	0.833	79%	0.792	S	S	*	*			trans	-65.1	143.4	160.2	-77.1	-166.8	71.6	0	0	109.8	R281	M279-R281 PolarHBondContact O-N 3.21Å
280	E	27.6	Very low	31.4	Very low	180 Å²	180	148.4 Å²	148.4	84%	0.841	80%	0.795	S	S	*	*			trans	-60.6	105.9	173.9	-62.1	178.2	115.2	0	0	111.2	L282	E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å; E280-L282 VanDerWaalsContact O-N 3.08Å
281	R	26.6	Very low	30.3	Very low	238 Å²	238	146.5 Å²	146.5	90%	0.898	80%	0.796	S	S	*	*			trans	-76.5	88.2	161.9	-84.7	-165.5	177.4	-170.5	2	109.7	M279 S283	M279-R281 PolarHBondContact O-N 3.21Å; R281-S283 PolarHBondContact O-N 2.83Å
282	L	28.2	Very low	29.5	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	80%	0.801	S	S	*	*			trans	-72.1	111.1	156.7	-79	171	0	0	0	109.4	E280	E280-L282 VanDerWaalsContact C-N 3.34Å; E280-L282 PolarHBondContact O-N 3.12Å; E280-L282 VanDerWaalsContact O-N 3.08Å
283	S	23.5	Very low	29.2	Very low	108 Å²	108	147.9 Å²	147.9	76%	0.755	80%	0.797	S	S	*	*			trans	-131.3	100.2	164.6	59.1	0	0	0	0	110.2	R281	R281-S283 PolarHBondContact O-N 2.83Å
284	F	25.7	Very low	28.6	Very low	185 Å²	185	151.2 Å²	151.2	81%	0.811	81%	0.808	S	S	*	*			trans	-59.7	142.8	173	-109.9	-113.9	0	0	0	112.3
285	T	23.2	Very low	28.2	Very low	142 Å²	142	152.4 Å²	152.4	87%	0.871	81%	0.811	S	S	*	*				-161.1	104	127.6	24.2	0	0	0	0	111.9
286	R	24.7	Very low	27.9	Very low	228 Å²	228	149.3 Å²	149.3	86%	0.86	81%	0.805	S	S	*	*			trans	36.2	155.4	146.5	-91	-169.3	144.2	152.8	-4.8	123.4
287	P	38.4	Very low	27.8	Very low	118 Å²	118	148.3 Å²	148.3	77%	0.766	80%	0.796	S	S	*	*			trans	-91.9	164.3	-174	38.6	-36.5	0	0	0	113.8
288	S	23	Very low	27.3	Very low	112 Å²	112	151.5 Å²	151.5	78%	0.783	80%	0.802	S	S	*	*			trans	-136.6	138.4	150.3	-173.8	0	0	0	0	110.5
289	T	26.9	Very low	27.4	Very low	131 Å²	131	154.1 Å²	154.1	80%	0.804	80%	0.801	S	S	*	*			trans	-54.3	143.1	167.4	46.4	0	0	0	0	111.9
290	G	24	Very low	27.5	Very low	77 Å²	77	154.1 Å²	154.1	79%	0.794	80%	0.797	S	S	*	*			trans	-82.7	149.9	164.8	0	0	0	0	0	111.7
291	S	24.9	Very low	27.6	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	80%	0.797	S	S	*	*			trans	-161.1	136	160.3	-154.2	0	0	0	0	111.6
292	V	27.4	Very low	27.7	Very low	110 Å²	110	148.4 Å²	148.4	67%	0.667	78%	0.784	S	S	*	*			trans	49.4	140.5	154.6	-61.8	0	0	0	0	124.4
293	E	28.7	Very low	28.1	Very low	177 Å²	177	147.3 Å²	147.3	83%	0.827	79%	0.789	S	S	*	*			trans	91.4	145.2	134	-85.1	157.4	-136.5	0	0	123
294	D	29.7	Very low	28.4	Very low	153 Å²	153	149.7 Å²	149.7	82%	0.818	79%	0.794	S	S	*	*			trans	-74.9	154	-171.8	-57	-71.4	0	0	0	113.6
295	M	28.2	Very low	29.1	Very low	190 Å²	190	146.3 Å²	146.3	94%	0.936	79%	0.793	S	S	*	*				-163.8	170.7	108.7	-115.1	-170.1	168.6	0	0	113.5
296	E	28.1	Very low	29.6	Very low	151 Å²	151	142.8 Å²	142.8	71%	0.706	79%	0.785	S	S	*	*			trans	-95.2	-175.1	-166.6	-48.7	179.8	113.6	0	0	115.1
297	Q	28.9	Very low	30.2	Very low	141 Å²	141	139.4 Å²	139.4	66%	0.659	79%	0.79	S	S	*	*			trans	86.6	115	144.9	-73.8	168.7	50.8	0	0	121
298	Q	28.2	Very low	29.9	Very low	168 Å²	168	137.2 Å²	137.2	79%	0.785	79%	0.788	S	S	*	*			trans	71.7	147.5	144	-55.5	171.5	16.5	0	0	116.2
299	K	28.4	Very low	30.8	Very low	194 Å²	194	137.2 Å²	137.2	84%	0.843	79%	0.788	S	S	*	*			cis	-161.6	169	35.8	-165.9	171	178	177.9	0	112.4
300	K	32.8	Very low	31.2	Very low	170 Å²	170	137 Å²	137	74%	0.739	78%	0.782	S	S	*	*			trans	-57.8	151.3	177	-51.3	177.9	174.6	-168.7	0	115.1
301	Q	31.3	Very low	31.8	Very low	180 Å²	180	140.3 Å²	140.3	84%	0.841	78%	0.782	S	S	*	*				-171.5	125.1	108.9	-95.5	170.8	-28.4	0	0	108.2
302	D	28.4	Very low	32.5	Very low	117 Å²	117	138.6 Å²	138.6	63%	0.626	78%	0.781	S	S	*	*				79.2	101.8	61.2	-61	-36.3	0	0	0	113.5
303	S	35.6	Very low	33.2	Very low	133 Å²	133	138.8 Å²	138.8	93%	0.93	78%	0.779	S	S	*	*			trans	-162.8	142.6	156	-78.3	0	0	0	0	109.8
304	D	30.8	Very low	33.8	Very low	158 Å²	158	138 Å²	138	85%	0.845	77%	0.772	S	S	*	*			trans	-132.7	-179.8	-164.9	-177.9	27.9	0	0	0	110.9
305	S	40.5	Very low	34.2	Very low	115 Å²	115	140.8 Å²	140.8	80%	0.804	77%	0.771	S	S	*	*			trans	84.1	140.7	-179.1	78.4	0	0	0	0	117.1
306	G	33.9	Very low	34.6	Very low	68 Å²	68	138 Å²	138	70%	0.701	76%	0.759	S	S	*	*			cis	-175.6	128.9	-6.4	0	0	0	0	0	116.4
307	V	36.2	Very low	35	Very low	157 Å²	157	135.8 Å²	135.8	95%	0.952	76%	0.761	S	S	*	*			trans	24.9	123.6	144.2	-172.3	0	0	0	0	120.5
308	G	32.5	Very low	35.1	Very low	72 Å²	72	133 Å²	133	74%	0.742	76%	0.763	S	S	*	*			trans	148.6	146	141.2	0	0	0	0	0	114.8
309	S	41.1	Very low	35.4	Very low	111 Å²	111	131.6 Å²	131.6	78%	0.776	77%	0.765	S	S	*	*			cis	-173.8	168.4	-23.4	-167.7	0	0	0	0	108.1
310	D	36.7	Very low	35.7	Very low	128 Å²	128	131 Å²	131	68%	0.684	77%	0.766	S	S	*	*			trans	76.4	92.2	154.6	-120.9	-81.2	0	0	0	121.4
311	N	35.9	Very low	36.2	Very low	145 Å²	145	128.3 Å²	128.3	78%	0.775	77%	0.765	S	S	*	*				52.1	150.2	124.2	-51.7	-40.5	0	0	0	124.1
312	G	39.6	Very low	36.2	Very low	73 Å²	73	124.4 Å²	124.4	75%	0.753	76%	0.758	S	S	*	*			trans	130.1	43.2	159.1	0	0	0	0	0	116.8
313	D	41.5	Very low	36.4	Very low	114 Å²	114	125.6 Å²	125.6	61%	0.61	76%	0.764	S	S	*	*				79	126.3	65.1	-170	17.1	0	0	0	115.1
314	K	42.2	Very low	36.3	Very low	160 Å²	160	128.3 Å²	128.3	70%	0.696	76%	0.762	S	S	*	*			trans	69.3	138.2	177.8	-65.2	122	-172.5	166.7	0	119
315	R	37.8	Very low	36.3	Very low	211 Å²	211	128 Å²	128	80%	0.796	76%	0.76	S	S	*	*			cis	-166.6	141.5	-11.3	-119.2	-178.2	170.6	-165.9	-5.6	112.2
316	L	36.9	Very low	36	Very low	131 Å²	131	126.6 Å²	126.6	69%	0.686	75%	0.751	S	S	*	*			trans	49.1	107.6	140.9	-66.1	170.2	0	0	0	119.3
317	S	35.5	Very low	35.7	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	76%	0.755	S	S	*	*				84.9	142.7	88.8	79.5	0	0	0	0	114.3
318	A	31.8	Very low	35.4	Very low	84 Å²	84	129.1 Å²	129.1	69%	0.694	75%	0.752	S	S	*	*			cis	-153.7	-157.8	16.5	0	0	0	0	0	112.2
319	T	34.6	Very low	35.2	Very low	137 Å²	137	133.9 Å²	133.9	84%	0.84	76%	0.76	S	S	*	*			trans	64.7	93	166.9	56.1	0	0	0	0	119.1
320	E	33.3	Very low	34.5	Very low	183 Å²	183	135.8 Å²	135.8	86%	0.855	76%	0.761	S	S	*	*			trans	-61.3	170.8	133.1	-73.5	-174	161.6	0	0	111
321	P	44.8	Very low	34.2	Very low	112 Å²	112	135.8 Å²	135.8	73%	0.727	77%	0.765	S	S	*	*			cis	-135.4	177.2	12.7	42.2	-25.6	0	0	0	117.6
322	S	30.5	Very low	34.5	Very low	99 Å²	99	134.6 Å²	134.6	69%	0.692	77%	0.765	S	S	*	*			trans	89.4	138.1	144.9	-113.9	0	0	0	0	121.8
323	D	32.4	Very low	34	Very low	141 Å²	141	139.6 Å²	139.6	75%	0.754	77%	0.771	S	S	*	*			trans	85.5	123.5	144.8	-56.7	-5.2	0	0	0	121.9
324	E	34.2	Very low	33.5	Very low	191 Å²	191	139 Å²	139	89%	0.893	78%	0.776	S	S	*	*			trans	53.1	101.4	149.3	-60.7	-64.8	84.2	0	0	119.6
325	D	31.3	Very low	32.9	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	78%	0.778	S	S	*	*			trans	-95.5	136.1	170.4	-156	-22.3	0	0	0	112.4
326	S	33.3	Very low	32.6	Very low	86 Å²	86	134.5 Å²	134.5	60%	0.601	77%	0.774	S	S	*	*			trans	78.1	100.8	153.1	-74.9	0	0	0	0	122.6
327	L	28.2	Very low	32.2	Very low	153 Å²	153	133.2 Å²	133.2	80%	0.801	77%	0.771	S	S	*	*				75.5	105	122.6	-60.1	173.4	0	0	0	120.6
328	S	28.9	Very low	32.1	Very low	125 Å²	125	136.1 Å²	136.1	87%	0.874	77%	0.774	S	S	*	*				-149.3	150.8	116	45.5	0	0	0	0	111.1
329	L	29.4	Very low	32	Very low	173 Å²	173	140.6 Å²	140.6	91%	0.906	78%	0.78	S	S	*	*			trans	-89	150.9	-168.3	-68.7	167.7	0	0	0	112.6
330	N	26.6	Very low	31.7	Very low	151 Å²	151	142.9 Å²	142.9	81%	0.807	78%	0.781	S	S	*	*			trans	-125.6	132.9	-171.9	-130	-11.3	0	0	0	111.7
331	V	29.4	Very low	31.5	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	77%	0.772	S	S	*	*			trans	71	153	148.3	166.8	0	0	0	0	116.4
332	P	42.6	Very low	30.7	Very low	119 Å²	119	139.5 Å²	139.5	77%	0.773	78%	0.777	S	S	*	*			cis	-119.8	173.4	9.4	16.2	8.9	0	0	0	117.8
333	M	28.3	Very low	30.6	Very low	179 Å²	179	140.1 Å²	140.1	88%	0.882	78%	0.781	S	S	*	*			trans	-114	144	170.3	176.2	-152.7	-57.8	0	0	109.5
334	S	32.2	Very low	30.4	Very low	100 Å²	100	141.2 Å²	141.2	70%	0.699	78%	0.779	S	S	*	*			trans	177.5	146.9	158.2	45.2	0	0	0	0	110
335	N	29.4	Very low	30.1	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	77%	0.767	S	S	*	*			cis	-151.3	-171.3	-12.9	-83.9	-22.9	0	0	0	105.5
336	I	30.9	Very low	29.7	Very low	139 Å²	139	137.8 Å²	137.8	71%	0.713	77%	0.767	S	S	*	*			cis	-168.8	145.1	26.1	-151.1	143.9	0	0	0	110
337	T	29	Very low	29.4	Very low	104 Å²	104	138 Å²	138	64%	0.638	77%	0.768	S	S	*	*			trans	59.2	153.7	155.6	56.5	0	0	0	0	120.6
338	E	33.1	Very low	29.3	Very low	167 Å²	167	135.8 Å²	135.8	78%	0.78	77%	0.766	S	S	*	*			cis	-168.1	155	-1.9	-106.9	152.8	-149.9	0	0	107
339	E	29.7	Very low	29.2	Very low	177 Å²	177	137.1 Å²	137.1	83%	0.827	76%	0.758	S	S	*	*			cis	-155.7	-57.4	-27.5	-165.7	158.7	-129.4	0	0	113.6
340	E	29	Very low	29.1	Very low	185 Å²	185	136.6 Å²	136.6	86%	0.864	75%	0.751	S	S	*	*			trans	-121.4	164.9	-166.9	-56.3	-168.6	129.3	0	0	114.6
341	G	28.8	Very low	29.1	Very low	65 Å²	65	136.7 Å²	136.7	67%	0.67	75%	0.75	S	S	*	*			cis	162.8	143.4	-10.4	0	0	0	0	0	114.9
342	I	28	Very low	29	Very low	159 Å²	159	135 Å²	135	82%	0.815	74%	0.744	S	S	*	*			trans	64	132.3	151.2	-61	170.1	0	0	0	120.5
343	S	27.9	Very low	28.2	Very low	113 Å²	113	134 Å²	134	79%	0.79	74%	0.739	S	S	*	*			trans	69	164.6	156.9	69.5	0	0	0	0	120
344	K	29.3	Very low	28.2	Very low	163 Å²	163	132.7 Å²	132.7	71%	0.709	74%	0.735	S	S	*	*			cis	-174.9	153.1	-43.9	-154.1	-174.8	176.5	-68.3	0	106.9
345	D	26.3	Very low	28	Very low	118 Å²	118	133.6 Å²	133.6	63%	0.631	74%	0.737	S	S	*	*			trans	49.7	125.2	161.2	-56.8	-18.8	0	0	0	122
346	D	24.3	Very low	27.8	Very low	151 Å²	151	131.7 Å²	131.7	81%	0.807	74%	0.74	S	S	*	*			trans	91.5	159.4	132	-108.9	-54.4	0	0	0	124.8
347	S	27.3	Very low	27.4	Very low	91 Å²	91	132.4 Å²	132.4	64%	0.636	75%	0.745	S	S	*	*			trans	-63.4	172	-158.4	41.3	0	0	0	0	121.5
348	S	25.3	Very low	28	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	75%	0.745	S	S	*	*			trans	76.5	155.9	156.4	82.4	0	0	0	0	117.1
349	E	27	Very low	27.7	Very low	153 Å²	153	131.6 Å²	131.6	72%	0.715	75%	0.748	S	S	*	*			cis	-163.7	168.2	-19.2	-119.5	-178.5	169.5	0	0	110.2
350	H	27.2	Very low	27.6	Very low	162 Å²	162	127.7 Å²	127.7	75%	0.75	74%	0.74	S	S	*	*			trans	61.7	167.4	166.2	-64	-52.4	0	0	0	116.6
351	I	26.6	Very low	27.5	Very low	153 Å²	153	125.2 Å²	125.2	79%	0.785	73%	0.733	S	S	*	*			cis	-145.6	162.2	9.5	-6	175.8	0	0	0	107
352	S	26.3	Very low	27.4	Very low	92 Å²	92	127.3 Å²	127.3	64%	0.643	74%	0.737	S	S	*	*			cis	-156.1	165.2	12.2	-57.7	0	0	0	0	111.7
353	S	25.6	Very low	27.3	Very low	98 Å²	98	125.4 Å²	125.4	69%	0.685	73%	0.733	S	S	*	*			trans	39.6	138.2	132.8	73.8	0	0	0	0	121.8
354	L	28.2	Very low	27.2	Very low	151 Å²	151	131.8 Å²	131.8	79%	0.791	74%	0.739	S	S	*	*			cis	-157.5	164.2	40.9	-67.8	163.6	0	0	0	108.7
355	T	28.4	Very low	26.9	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	74%	0.739	S	S	*	*			cis	-167.1	160.3	-9	19.9	0	0	0	0	111.1
356	A	25.7	Very low	26.8	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	74%	0.742	S	S	*	*			trans	66.2	89.9	145.7	0	0	0	0	0	121.1
357	D	22.9	Very low	26.8	Very low	155 Å²	155	132.1 Å²	132.1	83%	0.829	74%	0.741	S	S	*	*			trans	-47.2	-178.1	138.5	-110.2	-31.5	0	0	0	115.1
358	P	41.2	Very low	26.6	Very low	97 Å²	97	135.3 Å²	135.3	63%	0.63	75%	0.746	S	S	*	*			cis	-137	178.1	-7.1	36.4	-17.4	0	0	0	115.9
359	N	27.3	Very low	26.4	Very low	157 Å²	157	134.1 Å²	134.1	84%	0.84	74%	0.738	S	S	*	*				-165.3	165.3	118.5	-102.8	-30.2	0	0	0	113.8
360	S	27.5	Very low	26.9	Very low	95 Å²	95	132.2 Å²	132.2	66%	0.664	74%	0.738	S	S	*	*			trans	-77.1	175.6	-164.3	70.4	0	0	0	0	114.2
361	D	25.8	Very low	26.8	Very low	133 Å²	133	129.7 Å²	129.7	71%	0.711	74%	0.735	S	S	*	*			cis	-161.5	162	31.2	-137.2	-57.1	0	0	0	117.4
362	S	27.5	Very low	26.8	Very low	108 Å²	108	131.3 Å²	131.3	76%	0.755	74%	0.739	S	S	*	*			trans	60.7	106.3	148.7	-76.3	0	0	0	0	122.1
363	V	25.8	Very low	26.8	Very low	120 Å²	120	130.9 Å²	130.9	73%	0.727	74%	0.741	S	S	*	*			trans	-101.5	136.2	164.9	158.5	0	0	0	0	111.4	L365	V363-L365 HydrophobicContact CG1-CD1 4.11Å; V363-L365 HydrophobicContact CG1-CD2 4.17Å; V363-L365 HydrophobicContact CG1-CG 3.72Å
364	R	25.5	Very low	26.8	Very low	247 Å²	247	133.2 Å²	133.2	93%	0.932	75%	0.745	S	S	*	*			trans	-150	120.2	152.9	-64.9	-167.6	178.9	-174.7	-1.1	107.8
365	L	23.2	Very low	26.7	Very low	132 Å²	132	133.1 Å²	133.1	69%	0.691	75%	0.745	S	S	*	*			cis	92.1	120.6	36.8	-65.8	172.8	0	0	0	115.2	V363	V363-L365 HydrophobicContact CG1-CD1 4.11Å; V363-L365 HydrophobicContact CG1-CD2 4.17Å; V363-L365 HydrophobicContact CG1-CG 3.72Å
366	I	24.5	Very low	26.4	Very low	137 Å²	137	134.8 Å²	134.8	70%	0.703	75%	0.75	S	S	*	*			trans	71.7	144.2	139.2	-70.1	171.4	0	0	0	115.9
367	E	24.1	Very low	26.6	Very low	169 Å²	169	135.7 Å²	135.7	79%	0.79	75%	0.748	S	S	*	*			cis	-155.4	164.6	15	-138.6	151.2	-114.4	0	0	107
368	E	23.9	Very low	26.8	Very low	159 Å²	159	135.8 Å²	135.8	74%	0.743	75%	0.747	S	S	*	*			cis	-145.3	169.3	-36.2	-108.5	-150.8	101.6	0	0	105.9
369	S	21.1	Very low	26	Very low	82 Å²	82	137 Å²	137	57%	0.573	76%	0.758	S	S	*	*				63.3	149	60.2	143.1	0	0	0	0	116
370	P	36.8	Very low	26	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	75%	0.75	S	S	*	*			cis	-114.7	-168.8	-7	27.3	-4	0	0	0	111.4
371	T	25.7	Very low	26	Very low	110 Å²	110	144.6 Å²	144.6	68%	0.675	76%	0.761	S	S	*	*			cis	-159.5	150.3	34.4	45.3	0	0	0	0	113.2
372	E	26	Very low	26.1	Very low	186 Å²	186	144.3 Å²	144.3	87%	0.869	76%	0.76	S	S	*	*			trans	51.9	141.2	144.2	-64.6	178.4	-167.7	0	0	122.2
373	A	26.9	Very low	26.1	Very low	83 Å²	83	143.6 Å²	143.6	69%	0.686	76%	0.755	S	S	*	*			cis	-164.7	147	-14.8	0	0	0	0	0	112.7
374	L	25.9	Very low	26.5	Very low	148 Å²	148	143.1 Å²	143.1	78%	0.775	75%	0.753	S	S	*	*			trans	59.7	105	151.7	-63.9	169.5	0	0	0	122.8
375	N	24.8	Very low	27.2	Very low	148 Å²	148	138 Å²	138	79%	0.791	74%	0.743	S	S	*	*				57.7	115.2	123.6	-58.8	0.4	0	0	0	122.9
376	D	23.7	Very low	28.2	Very low	156 Å²	156	134.3 Å²	134.3	83%	0.834	73%	0.728	S	S	*	*			trans	-150	116.6	138.1	-164.8	4.9	0	0	0	110.6
377	P	29	Very low	29	Very low	116 Å²	116	132.8 Å²	132.8	75%	0.753	73%	0.725	S	S	*	*			trans	-105.5	56.8	-161.2	40.8	-37.3	0	0	0	116.1
378	L	26	Very low	29.7	Very low	157 Å²	157	127 Å²	127	82%	0.822	71%	0.71	S	S	*	*			trans	-129.9	76.7	168.8	-76.9	179.9	0	0	0	113.4	Y380	L378-Y380 PolarHBondContact O-N 2.97Å
379	S	25.2	Very low	30.5	Very low	121 Å²	121	122.2 Å²	122.2	85%	0.846	69%	0.688	S	S	*	*			trans	-67	111.4	169.4	-173.6	0	0	0	0	111	R381	S379-R381 PolarHBondContact O-N 2.89Å; S379-R381 VanDerWaalsContact O-N 3.15Å
380	Y	27.1	Very low	31.7	Very low	176 Å²	176	120.9 Å²	120.9	69%	0.69	67%	0.673	S	S	*	*			trans	-63.8	110.7	170.6	-111.5	-112	0	0	0	109.8	R193 L378 D382	R193-Y380 PolarHBondContact NH1-OH 2.78Å; R193-Y380 PolarHBondContact NH2-OH 3Å; R193-Y380 VanDerWaalsContact NH2-OH 3.14Å; L378-Y380 PolarHBondContact O-N 2.97Å; Y380-D382 PolarHBondContact O-N 3.32Å
381	R	27.5	Very low	32	Very low	236 Å²	236	119.6 Å²	119.6	89%	0.891	67%	0.667	S	S	*	*			trans	-69.7	114.8	164.3	-99	-166.7	170	-145.6	-2.3	109.1	S379 S383	S379-R381 PolarHBondContact O-N 2.89Å; S379-R381 VanDerWaalsContact O-N 3.15Å; R381-S383 PolarHBondContact O-N 2.98Å
382	D	27.6	Very low	32.8	Very low	127 Å²	127	120.8 Å²	120.8	68%	0.679	66%	0.66	S	S	*	*			trans	-65.8	117.2	179.8	-159.8	18.2	0	0	0	110.1	Y380 T384	Y380-D382 PolarHBondContact O-N 3.32Å; D382-T384 PolarHBondContact O-N 2.95Å
383	S	29	Very low	33.6	Very low	94 Å²	94	114.5 Å²	114.5	66%	0.657	63%	0.632	S	S	*	*			trans	-84	101.9	-177.4	43.4	0	0	0	0	110.3	R381 L385	R381-S383 PolarHBondContact O-N 2.98Å; S383-L385 PolarHBondContact O-N 2.96Å
384	T	34.1	Very low	34.3	Very low	110 Å²	110	116.4 Å²	116.4	68%	0.675	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	29.3	-168.2	57.3	0	0	0	0	116.1	D382 S386	D382-T384 PolarHBondContact O-N 2.95Å; T384-S386 PolarHBondContact O-N 3Å
385	L	38.6	Very low	34.9	Very low	139 Å²	139	112 Å²	112	73%	0.728	62%	0.616	S	S	*	*	H	α-helix	trans	-68	-35.4	-172.9	-68.3	172.1	0	0	0	113	S383 T387 F389	S383-L385 PolarHBondContact O-N 2.96Å; L385-T387 PolarHBondContact O-N 3.19Å; L385-F389 WeakPolarHBondContact O-CB 3.33Å; L385-F389 PolarHBondContact O-N 2.88Å
386	S	44.4	Very low	35.5	Very low	54 Å²	54	111.1 Å²	111.1	38%	0.378	60%	0.601	S	S	.	*	H	α-helix	trans	-60.1	-41.9	-175.8	176.3	0	0	0	0	113.7	T384 I390	T384-S386 PolarHBondContact O-N 3Å; S386-I390 WeakPolarHBondContact O-CG1 3.17Å; S386-I390 PolarHBondContact O-N 3.35Å
387	T	42.3	Very low	36	Very low	106 Å²	106	109 Å²	109	65%	0.65	59%	0.594	S	S	*	*	H	α-helix	trans	-79.4	-41.3	-177	-3.7	0	0	0	0	112.5	L385 F389 I390 S391	L385-T387 PolarHBondContact O-N 3.19Å; T387-F389 VanDerWaalsContact C-N 3.29Å; T387-F389 PolarHBondContact O-N 2.83Å; T387-I390 PolarHBondContact O-N 3.36Å; T387-S391 PolarHBondContact O-N 3.22Å; T387-S391 PolarHBondContact O-OG 2.99Å
388	G	37.2	Very low	36.5	Very low	46 Å²	46	107.5 Å²	107.5	47%	0.474	59%	0.591	S	S	.	*	H	α-helix	trans	-63.7	-35.6	175.8	0	0	0	0	0	112.3	S391 Y392	G388-S391 PolarHBondContact O-N 2.94Å; G388-Y392 WeakPolarHBondContact O-CB 3.3Å; G388-Y392 PolarHBondContact O-N 3.24Å
389	F	42	Very low	36.8	Very low	60 Å²	60	103.9 Å²	103.9	26%	0.263	58%	0.584	S	S	.	*	H	α-helix	trans	-67.7	-40.5	178.3	-176.7	-105	0	0	0	113.4	V142 E165 L385 T387 S391 Y392 I393	V142-F389 HydrophobicContact CG1-CE1 4.1Å; V142-F389 HydrophobicContact CG1-CZ 4.06Å; E165-F389 WeakPolarHBondContact OE2-CE2 3.48Å; E165-F389 WeakPolarHBondContact OE2-CZ 3.21Å; L385-F389 WeakPolarHBondContact O-CB 3.33Å; L385-F389 PolarHBondContact O-N 2.88Å; T387-F389 VanDerWaalsContact C-N 3.29Å; T387-F389 PolarHBondContact O-N 2.83Å; F389-S391 VanDerWaalsContact C-N 3.32Å; F389-S391 PolarHBondContact O-N 2.99Å; F389-Y392 HydrophobicContact CD2-CD1 4.43Å; F389-Y392 WeakPolarHBondContact O-CB 3.37Å; F389-Y392 PolarHBondContact O-N 3Å; F389-I393 HydrophobicContact CD1-CD1 4.14Å; F389-I393 HydrophobicContact CE1-CD1 3.54Å; F389-I393 HydrophobicContact CE1-CG1 4.44Å; F389-I393 HydrophobicContact CZ-CD1 3.77Å; F389-I393 HydrophobicContact CZ-CG1 4.42Å; F389-I393 PolarHBondContact O-N 3.1Å
390	I	45.9	Very low	37.2	Very low	54 Å²	54	102.8 Å²	102.8	28%	0.277	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-37.3	172.9	-64.9	-65.8	0	0	0	111.1	S386 T387 Y392 I393 K394	S386-I390 WeakPolarHBondContact O-CG1 3.17Å; S386-I390 PolarHBondContact O-N 3.35Å; T387-I390 PolarHBondContact O-N 3.36Å; I390-Y392 VanDerWaalsContact C-N 3.35Å; I390-I393 PolarHBondContact O-N 3.43Å; I390-K394 WeakPolarHBondContact O-CG 3.41Å; I390-K394 PolarHBondContact O-N 3.01Å
391	S	42.3	Very low	38	Very low	85 Å²	85	100.4 Å²	100.4	59%	0.594	56%	0.562	S	S	*	*	H	α-helix	trans	-67.2	-33	172	-63.1	0	0	0	0	113.3	T387 G388 F389 G395	T387-S391 PolarHBondContact O-N 3.22Å; T387-S391 PolarHBondContact O-OG 2.99Å; G388-S391 PolarHBondContact O-N 2.94Å; F389-S391 VanDerWaalsContact C-N 3.32Å; F389-S391 PolarHBondContact O-N 2.99Å; S391-G395 PolarHBondContact O-N 3Å
392	Y	42.3	Very low	38.1	Very low	134 Å²	134	98 Å²	98	53%	0.525	56%	0.561	S	S	.	*	H	α-helix	trans	-66	-44.3	174.7	173.7	-103.6	0	0	0	111.7	G388 F389 I390 G395	G388-Y392 WeakPolarHBondContact O-CB 3.3Å; G388-Y392 PolarHBondContact O-N 3.24Å; F389-Y392 HydrophobicContact CD2-CD1 4.43Å; F389-Y392 WeakPolarHBondContact O-CB 3.37Å; F389-Y392 PolarHBondContact O-N 3Å; I390-Y392 VanDerWaalsContact C-N 3.35Å; Y392-G395 PolarHBondContact O-N 3.4Å
393	I	43.1	Very low	38	Very low	55 Å²	55	99.9 Å²	99.9	28%	0.282	57%	0.566	S	S	.	*	H	α-helix	trans	-63.9	-46.6	173.9	-68.8	178.1	0	0	0	111.1	V142 F389 I390 G395 R396	V142-I393 HydrophobicContact CG2-CD1 4.47Å; F389-I393 HydrophobicContact CD1-CD1 4.14Å; F389-I393 HydrophobicContact CE1-CD1 3.54Å; F389-I393 HydrophobicContact CE1-CG1 4.44Å; F389-I393 HydrophobicContact CZ-CD1 3.77Å; F389-I393 HydrophobicContact CZ-CG1 4.42Å; F389-I393 PolarHBondContact O-N 3.1Å; I390-I393 PolarHBondContact O-N 3.43Å; I393-G395 PolarHBondContact O-N 3.2Å; I393-G395 VanDerWaalsContact O-N 3.09Å; I393-R396 PolarHBondContact O-N 2.98Å
394	K	42.4	Very low	38.1	Very low	122 Å²	122	101 Å²	101	53%	0.53	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	-8.3	176.2	-66.3	-166.7	-171.8	-135.4	0	114.2	E74 I390	E74-K394 WeakPolarHBondContact OE1-CE 3.28Å; E74-K394 IonicContact OE1-NZ 2.78Å; E74-K394 PolarHBondContact OE1-NZ 2.8Å; E74-K394 IonicContact OE2-NZ 2.72Å; E74-K394 PolarHBondContact OE2-NZ 3.27Å; I390-K394 WeakPolarHBondContact O-CG 3.41Å; I390-K394 PolarHBondContact O-N 3.01Å
395	G	39.1	Very low	37.8	Very low	57 Å²	57	103.7 Å²	103.7	59%	0.588	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-4	175.2	0	0	0	0	0	115.1	S391 Y392 I393	S391-G395 PolarHBondContact O-N 3Å; Y392-G395 PolarHBondContact O-N 3.4Å; I393-G395 PolarHBondContact O-N 3.2Å; I393-G395 VanDerWaalsContact O-N 3.09Å
396	R	36.6	Very low	37.3	Very low	128 Å²	128	108.3 Å²	108.3	48%	0.483	59%	0.588	S	S	.	*			trans	-140.2	97.5	178.9	-69.7	-171.6	178.4	-148.8	-1.8	111.8	I393	I393-R396 PolarHBondContact O-N 2.98Å
397	T	35.3	Very low	36.7	Very low	113 Å²	113	113 Å²	113	69%	0.693	61%	0.607	S	S	*	*			trans	-72	163.6	166.3	38.2	0	0	0	0	110.9	A399 D400	T397-A399 PolarHBondContact O-N 2.97Å; T397-D400 PolarHBondContact O-N 3.05Å
398	A	38.1	Very low	36.1	Very low	83 Å²	83	116.9 Å²	116.9	69%	0.686	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-62.6	-6.2	-164.3	0	0	0	0	0	117
399	A	33.5	Very low	35.7	Very low	82 Å²	82	122.9 Å²	122.9	68%	0.678	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-75.8	-26.9	-179.9	0	0	0	0	0	114	T397 F401	T397-A399 PolarHBondContact O-N 2.97Å; A399-F401 PolarHBondContact O-N 3.11Å
400	D	32.6	Very low	34.9	Very low	98 Å²	98	128 Å²	128	52%	0.524	66%	0.664	S	S	.	*	G	3₁₀ helix	trans	-74.9	14.2	-172.3	-66.1	-14.4	0	0	0	114.6	T397	T397-D400 PolarHBondContact O-N 3.05Å
401	F	43.4	Very low	34	Very low	125 Å²	125	130.3 Å²	130.3	55%	0.548	68%	0.684	S	S	.	*	G	3₁₀ helix	trans	-116.3	-1.8	-169.1	-76.2	-82.8	0	0	0	115.5	A399	A399-F401 PolarHBondContact O-N 3.11Å
402	E	29.4	Very low	33.4	Very low	186 Å²	186	133.9 Å²	133.9	87%	0.869	69%	0.691	S	S	*	*	S	Bend	trans	-97	-11.4	177.5	-70.5	-148.8	134.5	0	0	115.3	P404	E402-P404 WeakPolarHBondContact O-CD 3.46Å
403	E	26.3	Very low	32.7	Very low	167 Å²	167	139.7 Å²	139.7	78%	0.78	71%	0.713	S	S	*	*	S	Bend	trans	-88.5	116.4	179.5	-163.4	168.4	-144.1	0	0	112	L405	E403-L405 PolarHBondContact O-N 3.06Å; E403-L405 VanDerWaalsContact O-N 3.1Å
404	P	31	Very low	31.9	Very low	116 Å²	116	146.2 Å²	146.2	75%	0.753	74%	0.742	S	S	*	*			trans	-72.2	107.5	178.2	28.8	-33.5	0	0	0	110.1	E402 R406	E402-P404 WeakPolarHBondContact O-CD 3.46Å; P404-R406 PolarHBondContact O-N 3.08Å; P404-R406 VanDerWaalsContact O-N 3.13Å
405	L	27.6	Very low	31.3	Very low	168 Å²	168	147 Å²	147	88%	0.88	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-49.2	116.8	-179.4	-69.2	170.1	0	0	0	111.9	E403	E403-L405 PolarHBondContact O-N 3.06Å; E403-L405 VanDerWaalsContact O-N 3.1Å
406	R	28.3	Very low	30.6	Very low	236 Å²	236	152.6 Å²	152.6	89%	0.891	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-61.5	136.6	168.9	-83.1	-174.9	164.9	93	-2.3	109.7	P404	P404-R406 PolarHBondContact O-N 3.08Å; P404-R406 VanDerWaalsContact O-N 3.13Å
407	I	31.1	Very low	30.2	Very low	153 Å²	153	153.6 Å²	153.6	79%	0.785	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.4	129.6	168.3	-58.3	173.4	0	0	0	107.2
408	E	30.3	Very low	29.7	Very low	186 Å²	186	156.2 Å²	156.2	87%	0.869	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-80.6	125.7	166.1	-65.5	-172.7	135.7	0	0	108.9	D410	E408-D410 PolarHBondContact O-N 3.19Å
409	E	28.3	Very low	29.1	Very low	173 Å²	173	158 Å²	158	81%	0.808	79%	0.792	S	S	*	*			trans	-84.9	94.1	-173.2	-67.8	-172.8	125.5	0	0	111.9	S411	E409-S411 PolarHBondContact O-N 3.03Å; E409-S411 PolarHBondContact O-OG 2.97Å
410	D	25.3	Very low	28.9	Very low	167 Å²	167	163.8 Å²	163.8	89%	0.893	80%	0.802	S	S	*	*			trans	-60.8	104.6	172.1	-118.7	-28.9	0	0	0	110.4	E408 H412	E408-D410 PolarHBondContact O-N 3.19Å; D410-H412 VanDerWaalsContact C-N 3.25Å; D410-H412 PolarHBondContact O-N 2.93Å
411	S	27.8	Very low	28.6	Very low	102 Å²	102	166.2 Å²	166.2	71%	0.713	82%	0.82	S	S	*	*			trans	-84.3	35.1	-153.4	-60.9	0	0	0	0	115.1	E409	E409-S411 PolarHBondContact O-N 3.03Å; E409-S411 PolarHBondContact O-OG 2.97Å
412	H	29.9	Very low	28.2	Very low	160 Å²	160	165.7 Å²	165.7	74%	0.741	83%	0.832	S	S	*	*			trans	-136.6	78.5	-166.8	-72.4	-17.3	0	0	0	115.4	D410	D410-H412 VanDerWaalsContact C-N 3.25Å; D410-H412 PolarHBondContact O-N 2.93Å
413	W	28.4	Very low	28.3	Very low	256 Å²	256	160 Å²	160	97%	0.97	82%	0.823	S	S	*	*			trans	-147.3	132.5	134.3	-85.6	112.3	0	0	0	110.4
414	Q	25.5	Very low	28.6	Very low	193 Å²	193	154.6 Å²	154.6	90%	0.902	81%	0.813	S	S	*	*			trans	-87.5	153.7	-175.3	-70.2	-179.4	-13.7	0	0	112.6
415	T	28.7	Very low	28.9	Very low	138 Å²	138	154.3 Å²	154.3	85%	0.847	81%	0.809	S	S	*	*			trans	-99.4	124.4	-178.9	-61.6	0	0	0	0	111.3
416	E	25	Very low	29.3	Very low	174 Å²	174	153.9 Å²	153.9	81%	0.813	80%	0.802	S	S	*	*			trans	-128.5	107.9	161.2	-72.6	-150.2	113.3	0	0	113.4
417	Q	28.9	Very low	29.8	Very low	149 Å²	149	149.3 Å²	149.3	70%	0.696	80%	0.795	S	S	*	*			trans	54	113	142.5	-52.6	-166.7	30	0	0	122.4
418	M	24	Very low	30.5	Very low	168 Å²	168	147.2 Å²	147.2	83%	0.828	78%	0.781	S	S	*	*				64.9	126.5	128.1	-64.1	167.4	52.6	0	0	119
419	S	26.5	Very low	31.3	Very low	121 Å²	121	143 Å²	143	85%	0.846	76%	0.764	S	S	*	*				-166.7	179.1	62	47.6	0	0	0	0	113.6
420	K	29.6	Very low	32	Very low	203 Å²	203	139.3 Å²	139.3	88%	0.883	75%	0.75	S	S	*	*			trans	-84.8	141.9	-163.7	-56.5	171.8	-179.6	176.7	0	114.7
421	V	25.6	Very low	32.8	Very low	149 Å²	149	135.8 Å²	135.8	90%	0.903	73%	0.729	S	S	*	*				-135.1	138.5	129.3	179	0	0	0	0	107.7
422	S	33.9	Very low	34	Very low	114 Å²	114	135 Å²	135	80%	0.797	72%	0.715	S	S	*	*			trans	-109.8	151.1	175.3	-172	0	0	0	0	110.1
423	G	32	Very low	35.1	Very low	67 Å²	67	131.2 Å²	131.2	69%	0.691	70%	0.701	S	S	*	*			trans	148.9	-0.9	172.4	0	0	0	0	0	117.9
424	G	32.8	Very low	35.9	Very low	54 Å²	54	125.1 Å²	125.1	56%	0.557	68%	0.683	S	S	*	*	S	Bend	trans	-102.2	-15	-174.1	0	0	0	0	0	117
425	T	36.6	Very low	36.9	Very low	109 Å²	109	121 Å²	121	67%	0.669	67%	0.667	S	S	*	*	S	Bend	trans	-91.6	-19.7	-164.5	42.8	0	0	0	0	115.4
426	E	35.9	Very low	37.6	Very low	160 Å²	160	120.2 Å²	120.2	75%	0.748	65%	0.654	S	S	*	*	H	α-helix	trans	-77	-48.2	-172.9	-147.7	155.3	-147.4	0	0	111	H428 I429	E426-H428 PolarHBondContact O-N 3.02Å; E426-H428 VanDerWaalsContact O-N 3.09Å; E426-I429 PolarHBondContact O-N 2.9Å
427	L	39.2	Very low	38.5	Very low	139 Å²	139	118.2 Å²	118.2	73%	0.728	64%	0.644	S	S	*	*	H	α-helix	trans	-56.7	-27.2	176.6	-66.5	171.4	0	0	0	114.4	M431	L427-M431 PolarHBondContact O-N 3.05Å
428	H	46.1	Very low	39.4	Very low	110 Å²	110	113.2 Å²	113.2	51%	0.509	63%	0.629	S	S	.	*	H	α-helix	trans	-75.2	-28	179	-100.6	-77.1	0	0	0	113.1	E426 I432	E426-H428 PolarHBondContact O-N 3.02Å; E426-H428 VanDerWaalsContact O-N 3.09Å; H428-I432 WeakPolarHBondContact O-CB 3.37Å; H428-I432 WeakPolarHBondContact O-CD1 3.21Å; H428-I432 WeakPolarHBondContact O-CG1 3.47Å; H428-I432 PolarHBondContact O-N 3.08Å; H428-I432 VanDerWaalsContact O-N 3.14Å
429	I	46.5	Very low	40.7	Very low	98 Å²	98	108.8 Å²	108.8	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-74.5	-47.2	-177.6	-66.3	170.1	0	0	0	109.8	E426 M431 I432 N433	E426-I429 PolarHBondContact O-N 2.9Å; I429-M431 VanDerWaalsContact C-N 3.34Å; I429-M431 PolarHBondContact O-N 3.31Å; I429-I432 PolarHBondContact O-N 3.21Å; I429-I432 VanDerWaalsContact O-N 3.17Å; I429-N433 VanDerWaalsContact O-CG 3.25Å; I429-N433 PolarHBondContact O-N 2.7Å; I429-N433 PolarHBondContact O-ND2 3.17Å
430	D	44.8	Very low	41.6	Very low	95 Å²	95	109.8 Å²	109.8	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-62.3	-40.4	178	-67.4	-25	0	0	0	112.2	I432 N433 Q434	D430-I432 VanDerWaalsContact C-N 3.35Å; D430-I432 PolarHBondContact O-N 2.59Å; D430-N433 PolarHBondContact O-N 2.75Å; D430-Q434 WeakPolarHBondContact O-CB 3.37Å; D430-Q434 WeakPolarHBondContact O-CG 3.36Å; D430-Q434 PolarHBondContact O-N 3.21Å
431	M	40.9	Very low	42.4	Very low	92 Å²	92	106.6 Å²	106.6	45%	0.453	59%	0.594	S	S	.	*	H	α-helix	trans	-66.3	-34.7	176	-172.7	175.1	63.5	0	0	112.6	L427 I429 L435	L427-M431 PolarHBondContact O-N 3.05Å; I429-M431 VanDerWaalsContact C-N 3.34Å; I429-M431 PolarHBondContact O-N 3.31Å; M431-L435 HydrophobicContact CG-CD1 4.31Å; M431-L435 WeakPolarHBondContact O-CB 3.34Å; M431-L435 WeakPolarHBondContact O-CD1 3.11Å; M431-L435 VanDerWaalsContact O-CG 3.25Å; M431-L435 WeakPolarHBondContact O-CG 3.46Å; M431-L435 PolarHBondContact O-N 2.93Å; M431-L435 VanDerWaalsContact O-N 3.14Å
432	I	53.8	Low	43.2	Very low	85 Å²	85	106.5 Å²	106.5	44%	0.436	59%	0.588	S	S	.	*	H	α-helix	trans	-69.4	-43.4	174	-73.1	166.7	0	0	0	110.5	H428 I429 D430 Q434 L435 Q436	H428-I432 WeakPolarHBondContact O-CB 3.37Å; H428-I432 WeakPolarHBondContact O-CD1 3.21Å; H428-I432 WeakPolarHBondContact O-CG1 3.47Å; H428-I432 PolarHBondContact O-N 3.08Å; H428-I432 VanDerWaalsContact O-N 3.14Å; I429-I432 PolarHBondContact O-N 3.21Å; I429-I432 VanDerWaalsContact O-N 3.17Å; D430-I432 VanDerWaalsContact C-N 3.35Å; D430-I432 PolarHBondContact O-N 2.59Å; I432-Q434 PolarHBondContact O-N 3.49Å; I432-L435 PolarHBondContact O-N 2.89Å; I432-Q436 WeakPolarHBondContact O-CG 3.42Å; I432-Q436 PolarHBondContact O-N 2.9Å
433	N	52.3	Low	43.6	Very low	81 Å²	81	107.5 Å²	107.5	43%	0.433	58%	0.58	S	S	.	*	H	α-helix	trans	-60.5	-46.7	177.3	-67.3	-26.5	0	0	0	111.6	I429 D430 L435 Q436 E437	I429-N433 VanDerWaalsContact O-CG 3.25Å; I429-N433 PolarHBondContact O-N 2.7Å; I429-N433 PolarHBondContact O-ND2 3.17Å; D430-N433 PolarHBondContact O-N 2.75Å; N433-L435 VanDerWaalsContact C-N 3.31Å; N433-L435 PolarHBondContact O-N 2.72Å; N433-Q436 PolarHBondContact O-N 2.88Å; N433-Q436 VanDerWaalsContact O-N 3.14Å; N433-E437 PolarHBondContact O-N 2.96Å
434	Q	44.7	Very low	44.1	Very low	129 Å²	129	109.2 Å²	109.2	60%	0.603	57%	0.573	S	S	*	*	H	α-helix	trans	-60.5	-37.6	175.5	-74.2	176.9	-5	0	0	112.7	D430 I432 A438	D430-Q434 WeakPolarHBondContact O-CB 3.37Å; D430-Q434 WeakPolarHBondContact O-CG 3.36Å; D430-Q434 PolarHBondContact O-N 3.21Å; I432-Q434 PolarHBondContact O-N 3.49Å; Q434-A438 WeakPolarHBondContact O-CB 3.08Å; Q434-A438 PolarHBondContact O-N 2.84Å
435	L	46.4	Very low	44.7	Very low	107 Å²	107	112.8 Å²	112.8	56%	0.56	59%	0.587	S	S	*	*	H	α-helix	trans	-70.8	-32	175.5	-74.7	168.5	0	0	0	112.7	M431 I432 N433 V439	M431-L435 HydrophobicContact CG-CD1 4.31Å; M431-L435 WeakPolarHBondContact O-CB 3.34Å; M431-L435 WeakPolarHBondContact O-CD1 3.11Å; M431-L435 VanDerWaalsContact O-CG 3.25Å; M431-L435 WeakPolarHBondContact O-CG 3.46Å; M431-L435 PolarHBondContact O-N 2.93Å; M431-L435 VanDerWaalsContact O-N 3.14Å; I432-L435 PolarHBondContact O-N 2.89Å; N433-L435 VanDerWaalsContact C-N 3.31Å; N433-L435 PolarHBondContact O-N 2.72Å; L435-V439 WeakPolarHBondContact O-CB 3.21Å; L435-V439 VanDerWaalsContact O-CG2 3.22Å; L435-V439 WeakPolarHBondContact O-CG2 3.33Å; L435-V439 PolarHBondContact O-N 3.38Å
436	Q	43.4	Very low	44.9	Very low	121 Å²	121	113 Å²	113	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-70.7	-44	173.3	-71.2	-173	-102.6	0	0	111.9	I432 N433 A438 V439 E440	I432-Q436 WeakPolarHBondContact O-CG 3.42Å; I432-Q436 PolarHBondContact O-N 2.9Å; N433-Q436 PolarHBondContact O-N 2.88Å; N433-Q436 VanDerWaalsContact O-N 3.14Å; Q436-A438 PolarHBondContact O-N 3.38Å; Q436-V439 PolarHBondContact O-N 2.63Å; Q436-V439 VanDerWaalsContact O-N 3.09Å; Q436-E440 PolarHBondContact O-N 3.27Å
437	E	45.3	Very low	45.1	Very low	131 Å²	131	116 Å²	116	61%	0.612	60%	0.597	S	S	*	*	H	α-helix	trans	-61.5	-43.1	177.2	-172.2	169.8	-144.9	0	0	111.6	N433 V439 E440 L441	N433-E437 PolarHBondContact O-N 2.96Å; E437-V439 VanDerWaalsContact C-N 3.28Å; E437-V439 PolarHBondContact O-N 3.08Å; E437-E440 PolarHBondContact O-N 3.23Å; E437-L441 WeakPolarHBondContact O-CG 3.44Å; E437-L441 PolarHBondContact O-N 3.21Å; E437-L441 VanDerWaalsContact O-N 3.14Å
438	A	47.3	Very low	45	Very low	45 Å²	45	115.6 Å²	115.6	37%	0.372	60%	0.6	S	S	.	*	H	α-helix	trans	-61.8	-32.9	173.1	0	0	0	0	0	113.3	Q434 Q436 L442	Q434-A438 WeakPolarHBondContact O-CB 3.08Å; Q434-A438 PolarHBondContact O-N 2.84Å; Q436-A438 PolarHBondContact O-N 3.38Å; A438-L442 WeakPolarHBondContact O-CD1 3.27Å; A438-L442 WeakPolarHBondContact O-CG 3.34Å; A438-L442 PolarHBondContact O-N 3.41Å
439	V	50.5	Low	44.4	Very low	74 Å²	74	116.7 Å²	116.7	45%	0.448	62%	0.62	S	S	.	*	H	α-helix	trans	-77.3	-37.2	178.1	167.2	0	0	0	0	112.3	L435 Q436 E437 L442 Q443	L435-V439 WeakPolarHBondContact O-CB 3.21Å; L435-V439 VanDerWaalsContact O-CG2 3.22Å; L435-V439 WeakPolarHBondContact O-CG2 3.33Å; L435-V439 PolarHBondContact O-N 3.38Å; Q436-V439 PolarHBondContact O-N 2.63Å; Q436-V439 VanDerWaalsContact O-N 3.09Å; E437-V439 VanDerWaalsContact C-N 3.28Å; E437-V439 PolarHBondContact O-N 3.08Å; V439-L442 PolarHBondContact O-N 3.45Å; V439-Q443 WeakPolarHBondContact O-CG 3.27Å; V439-Q443 PolarHBondContact O-N 2.9Å
440	E	46.1	Very low	43.8	Very low	143 Å²	143	115.4 Å²	115.4	67%	0.668	62%	0.624	S	S	*	*	H	α-helix	trans	-65.3	-39.2	173.9	-75.4	-162	119.8	0	0	112.2	Q436 E437 L442 Q443	Q436-E440 PolarHBondContact O-N 3.27Å; E437-E440 PolarHBondContact O-N 3.23Å; E440-L442 VanDerWaalsContact C-N 3.34Å; E440-L442 PolarHBondContact O-N 3.26Å; E440-Q443 PolarHBondContact O-N 3.34Å
441	L	46.8	Very low	43.1	Very low	136 Å²	136	119.9 Å²	119.9	71%	0.712	64%	0.642	S	S	*	*	H	α-helix	trans	-61.7	-39.4	175.2	-73.6	169.5	0	0	0	112.4	E437 Q443	E437-L441 WeakPolarHBondContact O-CG 3.44Å; E437-L441 PolarHBondContact O-N 3.21Å; E437-L441 VanDerWaalsContact O-N 3.14Å; L441-Q443 PolarHBondContact O-N 3.4Å
442	L	41.6	Very low	43.1	Very low	147 Å²	147	124 Å²	124	77%	0.77	66%	0.659	S	S	*	*	H	α-helix	trans	-70.5	-14.3	177.7	-76	168.4	0	0	0	114.3	A438 V439 E440	A438-L442 WeakPolarHBondContact O-CD1 3.27Å; A438-L442 WeakPolarHBondContact O-CG 3.34Å; A438-L442 PolarHBondContact O-N 3.41Å; V439-L442 PolarHBondContact O-N 3.45Å; E440-L442 VanDerWaalsContact C-N 3.34Å; E440-L442 PolarHBondContact O-N 3.26Å
443	Q	42.5	Very low	42.3	Very low	135 Å²	135	126.8 Å²	126.8	63%	0.631	68%	0.676	S	S	*	*	H	α-helix	trans	-97.2	-10.2	-175.3	-72.8	-179.8	14.7	0	0	114.9	V439 E440 L441	V439-Q443 WeakPolarHBondContact O-CG 3.27Å; V439-Q443 PolarHBondContact O-N 2.9Å; E440-Q443 PolarHBondContact O-N 3.34Å; L441-Q443 PolarHBondContact O-N 3.4Å
444	N	42.6	Very low	41.2	Very low	102 Å²	102	130.1 Å²	130.1	55%	0.545	69%	0.693	S	S	.	*			trans	-133.3	80.2	-173.3	-70.8	-81.2	0	0	0	114	S446	N444-S446 PolarHBondContact O-N 2.9Å
445	P	44.5	Very low	40.6	Very low	130 Å²	130	131.1 Å²	131.1	84%	0.844	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	10.1	-174.2	-20.5	34	0	0	0	117.1
446	S	41.9	Very low	39.9	Very low	112 Å²	112	131 Å²	131	78%	0.783	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.6	20.1	-168	57.7	0	0	0	0	114.6	N444	N444-S446 PolarHBondContact O-N 2.9Å
447	R	40.5	Very low	39.2	Very low	224 Å²	224	133.4 Å²	133.4	85%	0.845	72%	0.721	S	S	*	*			trans	-110.6	155.6	163	-81.3	-171.5	167.1	-169.4	-2.7	110.9
448	V	35.7	Very low	38.3	Very low	131 Å²	131	133.6 Å²	133.6	79%	0.794	73%	0.731	S	S	*	*			trans	68.1	77.7	-174.7	-164.4	0	0	0	0	113.9
449	S	33.6	Very low	37.3	Very low	132 Å²	132	137.9 Å²	137.9	92%	0.923	74%	0.743	S	S	*	*			trans	-105.5	87.4	142.3	-67.5	0	0	0	0	108.3
450	A	34	Very low	36.4	Very low	71 Å²	71	141.7 Å²	141.7	59%	0.587	76%	0.761	S	S	*	*	S	Bend	trans	-168.9	139.5	164.4	0	0	0	0	0	110.5
451	E	30.5	Very low	35.4	Very low	190 Å²	190	144 Å²	144	89%	0.888	77%	0.765	S	S	*	*			trans	56.4	57.9	151.3	-63.7	175.6	-164.3	0	0	118.2
452	Q	41.9	Very low	34.7	Very low	177 Å²	177	143.4 Å²	143.4	83%	0.827	77%	0.769	S	S	*	*				22.1	102.2	115.7	-176.6	-178.8	-14.4	0	0	117.7
453	D	35.6	Very low	34	Very low	145 Å²	145	143.3 Å²	143.3	78%	0.775	77%	0.774	S	S	*	*				-168.7	160.9	112.8	-105.8	-16	0	0	0	112.4
454	D	30.9	Very low	33.3	Very low	150 Å²	150	145.3 Å²	145.3	80%	0.802	78%	0.783	S	S	*	*			trans	71.2	146.6	169.4	-110.8	-27.9	0	0	0	121.9
455	L	30.6	Very low	32.4	Very low	150 Å²	150	148.3 Å²	148.3	79%	0.785	80%	0.796	S	S	*	*			trans	65.7	69	163.6	-61.3	174.2	0	0	0	121.3
456	S	31.2	Very low	31.5	Very low	105 Å²	105	147 Å²	147	73%	0.734	79%	0.785	S	S	*	*				47.9	94.8	119.5	-56.3	0	0	0	0	121.5
457	E	29.8	Very low	30.9	Very low	172 Å²	172	147.6 Å²	147.6	80%	0.804	79%	0.785	S	S	*	*				49.8	90.8	127.9	-60.8	-173.7	128.8	0	0	120
458	V	26.1	Very low	30.2	Very low	135 Å²	135	142.6 Å²	142.6	82%	0.818	78%	0.779	S	S	*	*			trans	-89.7	119.7	142.5	175.3	0	0	0	0	108.5
459	Q	27.3	Very low	29.8	Very low	134 Å²	134	144.7 Å²	144.7	63%	0.626	78%	0.78	S	S	*	*			trans	-128.6	117.7	161.7	-73.4	-163.5	3.6	0	0	111.6	Y461	Q459-Y461 HydrophobicContact CB-CE2 4.3Å
460	L	31.7	Very low	29.7	Very low	155 Å²	155	147.5 Å²	147.5	81%	0.812	78%	0.778	S	S	*	*			trans	-86.2	138.2	169.5	-72.7	152.3	0	0	0	109.3
461	Y	24.8	Very low	29.6	Very low	192 Å²	192	149.9 Å²	149.9	75%	0.753	79%	0.79	S	S	*	*			trans	-139.8	156	166.6	-81.8	-61.3	0	0	0	110.9	Q459	Q459-Y461 HydrophobicContact CB-CE2 4.3Å
462	P	31.3	Very low	29.4	Very low	122 Å²	122	149.9 Å²	149.9	79%	0.792	79%	0.788	S	S	*	*			trans	-110.9	179.9	-138.1	7.7	16.7	0	0	0	113.6
463	V	27.9	Very low	28.8	Very low	145 Å²	145	149 Å²	149	88%	0.879	79%	0.789	S	S	*	*			trans	-114.5	110.5	172.3	177.3	0	0	0	0	110.1
464	E	25.9	Very low	28.5	Very low	178 Å²	178	145.4 Å²	145.4	83%	0.832	79%	0.786	S	S	*	*			trans	-149.2	128.2	152.5	-100.1	174.7	179	0	0	105.8
465	M	24.9	Very low	28.5	Very low	164 Å²	164	146.5 Å²	146.5	81%	0.808	79%	0.786	S	S	*	*				66.9	131.3	77.8	-60.5	-76.2	-83.7	0	0	111.4
466	V	25	Very low	28.4	Very low	102 Å²	102	145.4 Å²	145.4	62%	0.618	78%	0.782	S	S	*	*			cis	-162.1	157.8	6.6	88.1	0	0	0	0	111.5
467	T	28.8	Very low	28.5	Very low	126 Å²	126	145.9 Å²	145.9	77%	0.773	79%	0.785	S	S	*	*			trans	57.5	174.8	169.4	56.2	0	0	0	0	116
468	V	26.2	Very low	28.5	Very low	119 Å²	119	145.3 Å²	145.3	72%	0.721	79%	0.787	S	S	*	*			cis	-143.5	164.3	31.3	169.7	0	0	0	0	113
469	E	28.5	Very low	28.8	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	79%	0.789	S	S	*	*			trans	-38.2	160.2	176.6	-56.6	163.6	143.5	0	0	118.7
470	E	31.3	Very low	29	Very low	191 Å²	191	144.7 Å²	144.7	89%	0.893	79%	0.794	S	S	*	*			trans	-71.5	134.8	168.2	-62.1	-177.3	134.2	0	0	111.9
471	S	30.6	Very low	28.7	Very low	120 Å²	120	142.6 Å²	142.6	84%	0.839	79%	0.793	S	S	*	*			trans	-156.8	162.5	163.6	-88.1	0	0	0	0	112.6
472	F	27.3	Very low	28.9	Very low	190 Å²	190	139.9 Å²	139.9	83%	0.833	80%	0.796	S	S	*	*			trans	-89.8	160.9	-160	-101.6	-112.1	0	0	0	115.8
473	N	29.3	Very low	28.8	Very low	158 Å²	158	140.4 Å²	140.4	85%	0.845	80%	0.798	S	S	*	*			trans	70.9	150.8	169.5	-51.2	-22.3	0	0	0	115.9
474	G	28.4	Very low	29.4	Very low	70 Å²	70	138.3 Å²	138.3	72%	0.722	79%	0.787	S	S	*	*			cis	163.2	153	-9.5	0	0	0	0	0	113.4
475	Q	31.1	Very low	29.6	Very low	173 Å²	173	139.5 Å²	139.5	81%	0.808	79%	0.789	S	S	*	*			trans	71.2	119.2	163.1	-73.4	-174.1	-105.1	0	0	122
476	D	29.2	Very low	29.7	Very low	128 Å²	128	142.2 Å²	142.2	68%	0.684	79%	0.791	S	S	*	*				86.4	136	122.9	-55.9	-9.7	0	0	0	125.1
477	S	32.6	Very low	29.9	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	80%	0.802	S	S	*	*			trans	78.9	78.2	146.3	-59.2	0	0	0	0	122.6
478	D	30.5	Very low	30.4	Very low	160 Å²	160	148 Å²	148	86%	0.856	80%	0.804	S	S	*	*				38.2	161.1	107.7	-140.7	-2.6	0	0	0	124.1
479	E	32.4	Very low	30.9	Very low	185 Å²	185	151.3 Å²	151.3	86%	0.864	81%	0.812	S	S	*	*			trans	68.9	129.6	179.5	-61.5	-160.1	169.8	0	0	118.6
480	G	30.4	Very low	31.5	Very low	71 Å²	71	145 Å²	145	73%	0.732	79%	0.794	S	S	*	*			cis	178.2	154.8	-8.1	0	0	0	0	0	116.6
481	S	27.1	Very low	31.9	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	78%	0.776	S	S	*	*			trans	51.3	105	153.4	178.9	0	0	0	0	121.4
482	T	29.2	Very low	32.3	Very low	135 Å²	135	141.2 Å²	141.2	83%	0.828	77%	0.77	S	S	*	*				-166	150.1	109.8	14.9	0	0	0	0	112.8
483	T	28.9	Very low	32.9	Very low	133 Å²	133	137.2 Å²	137.2	82%	0.816	75%	0.754	S	S	*	*			trans	-143.5	164.8	176.7	56.8	0	0	0	0	107.4
484	P	40.6	Very low	33.7	Very low	101 Å²	101	137 Å²	137	66%	0.656	75%	0.746	S	S	*	*			cis	-151.9	159.9	30.3	42.1	-21	0	0	0	120.7
485	K	29.1	Very low	34.6	Very low	202 Å²	202	139 Å²	139	88%	0.878	74%	0.736	S	S	*	*			trans	65.9	145.5	149.2	-71.3	167.5	-177.9	173.5	0	117.2
486	R	26.9	Very low	35.6	Very low	222 Å²	222	138.4 Å²	138.4	84%	0.838	73%	0.731	S	S	*	*			cis	-155.5	171.7	6.8	-151.8	178.6	177.9	176.4	-3.1	110.1
487	M	30.5	Very low	36.8	Very low	174 Å²	174	137.1 Å²	137.1	86%	0.857	72%	0.719	S	S	*	*			trans	88.6	70.9	166.4	-59.6	178.5	61.4	0	0	118.3
488	E	38.8	Very low	37.8	Very low	174 Å²	174	140.1 Å²	140.1	81%	0.813	71%	0.713	S	S	*	*			trans	-132.2	112.7	139	-79	-159.3	147.8	0	0	108.7
489	E	37.2	Very low	39	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	71%	0.705	S	S	*	*			trans	-139.7	58.6	-174.2	-156.7	156.2	-141.2	0	0	110.9
490	G	41	Very low	40.2	Very low	42 Å²	42	138.1 Å²	138.1	43%	0.433	69%	0.692	S	S	.	*	S	Bend	trans	-150.4	-52.4	179.1	0	0	0	0	0	114.4	Y492 E493 F494	G490-Y492 VanDerWaalsContact C-N 3.34Å; G490-Y492 PolarHBondContact O-N 3.01Å; G490-E493 WeakPolarHBondContact O-CB 3.48Å; G490-E493 PolarHBondContact O-N 2.96Å; G490-F494 PolarHBondContact O-N 3.17Å
491	G	38.8	Very low	41.9	Very low	51 Å²	51	140.1 Å²	140.1	53%	0.526	69%	0.685	S	S	.	*	H	α-helix	trans	-59.5	-39.7	-178.9	0	0	0	0	0	114	E493 F494 Q495	G491-E493 PolarHBondContact O-N 3.33Å; G491-F494 PolarHBondContact O-N 3.12Å; G491-Q495 PolarHBondContact O-N 3.12Å
492	Y	39.7	Very low	43.2	Very low	181 Å²	181	140.8 Å²	140.8	71%	0.71	68%	0.679	S	S	*	*	H	α-helix	trans	-63.8	-36.9	177.1	-79.1	-84.1	0	0	0	113.2	G490 K496	G490-Y492 VanDerWaalsContact C-N 3.34Å; G490-Y492 PolarHBondContact O-N 3.01Å; Y492-K496 WeakPolarHBondContact O-CB 3.36Å; Y492-K496 PolarHBondContact O-N 2.97Å
493	E	40.4	Very low	44.6	Very low	106 Å²	106	141.1 Å²	141.1	50%	0.495	67%	0.671	S	S	.	*	H	α-helix	trans	-63.2	-46.7	174.9	-99.4	-108.9	120	0	0	111.2	G490 G491 K496 K497	G490-E493 WeakPolarHBondContact O-CB 3.48Å; G490-E493 PolarHBondContact O-N 2.96Å; G491-E493 PolarHBondContact O-N 3.33Å; E493-K496 PolarHBondContact O-N 3.12Å; E493-K497 WeakPolarHBondContact O-CB 3.18Å; E493-K497 WeakPolarHBondContact O-CG 3.35Å; E493-K497 PolarHBondContact O-N 3.33Å; E493-K497 IonicContact OE1-NZ 3.16Å; E493-K497 WeakPolarHBondContact OE2-CE 3.4Å; E493-K497 IonicContact OE2-NZ 2.75Å; E493-K497 PolarHBondContact OE2-NZ 2.93Å
494	F	44.3	Very low	45.9	Very low	153 Å²	153	140.8 Å²	140.8	67%	0.671	66%	0.659	S	S	*	*	H	α-helix	trans	-64.4	-45.9	179.9	-175.1	-100.3	0	0	0	112	G490 G491 K496 K497 R498	G490-F494 PolarHBondContact O-N 3.17Å; G491-F494 PolarHBondContact O-N 3.12Å; F494-K496 VanDerWaalsContact C-N 3.35Å; F494-K496 PolarHBondContact O-N 3.14Å; F494-K497 PolarHBondContact O-N 2.91Å; F494-R498 WeakPolarHBondContact O-CB 3.34Å; F494-R498 PolarHBondContact O-N 3.36Å
495	Q	48	Very low	46.5	Very low	113 Å²	113	138.4 Å²	138.4	53%	0.528	65%	0.647	S	S	.	*	H	α-helix	trans	-63.3	-39.3	175.8	-69.2	-164.1	21.2	0	0	112.5	G491 R498 R499	G491-Q495 PolarHBondContact O-N 3.12Å; Q495-R498 PolarHBondContact O-N 2.76Å; Q495-R499 WeakPolarHBondContact O-CG 3.39Å; Q495-R499 PolarHBondContact O-N 3.05Å
496	K	52.3	Low	47.7	Very low	159 Å²	159	137.4 Å²	137.4	69%	0.691	64%	0.638	S	S	*	*	H	α-helix	trans	-65.2	-45.4	177.1	-173	177	-179.1	-177.3	0	111.7	Y492 E493 F494 R499 M500	Y492-K496 WeakPolarHBondContact O-CB 3.36Å; Y492-K496 PolarHBondContact O-N 2.97Å; E493-K496 PolarHBondContact O-N 3.12Å; F494-K496 VanDerWaalsContact C-N 3.35Å; F494-K496 PolarHBondContact O-N 3.14Å; K496-R499 PolarHBondContact O-N 3.09Å; K496-M500 WeakPolarHBondContact O-CB 3.43Å; K496-M500 PolarHBondContact O-N 2.96Å
497	K	53.7	Low	49.2	Very low	101 Å²	101	133.2 Å²	133.2	44%	0.439	63%	0.626	S	S	.	*	H	α-helix	trans	-59	-45.2	173.1	-76	165.5	175	166.5	0	111.2	E493 F494 M500 I501	E493-K497 WeakPolarHBondContact O-CB 3.18Å; E493-K497 WeakPolarHBondContact O-CG 3.35Å; E493-K497 PolarHBondContact O-N 3.33Å; E493-K497 IonicContact OE1-NZ 3.16Å; E493-K497 WeakPolarHBondContact OE2-CE 3.4Å; E493-K497 IonicContact OE2-NZ 2.75Å; E493-K497 PolarHBondContact OE2-NZ 2.93Å; F494-K497 PolarHBondContact O-N 2.91Å; K497-M500 PolarHBondContact O-N 3.32Å; K497-I501 VanDerWaalsContact O-CG1 3.3Å; K497-I501 WeakPolarHBondContact O-CG1 3.47Å; K497-I501 PolarHBondContact O-N 3.29Å
498	R	54.1	Low	50.5	Low	178 Å²	178	129.7 Å²	129.7	67%	0.672	61%	0.608	S	S	*	*	H	α-helix	trans	-61.6	-44.5	176.8	-174.7	175.4	178.5	-112	0.1	112.9	F494 Q495 I501 L502	F494-R498 WeakPolarHBondContact O-CB 3.34Å; F494-R498 PolarHBondContact O-N 3.36Å; Q495-R498 PolarHBondContact O-N 2.76Å; R498-I501 PolarHBondContact O-N 2.95Å; R498-L502 PolarHBondContact O-N 3.15Å; R498-L502 VanDerWaalsContact O-N 3.14Å
499	R	56.4	Low	51.3	Low	181 Å²	181	124 Å²	124	68%	0.683	59%	0.59	S	S	*	*	H	α-helix	trans	-61.4	-46.8	175.4	-71.1	-173.7	-163.6	-150.3	5.8	111.3	Q495 K496 I501 L502 E503	Q495-R499 WeakPolarHBondContact O-CG 3.39Å; Q495-R499 PolarHBondContact O-N 3.05Å; K496-R499 PolarHBondContact O-N 3.09Å; R499-I501 PolarHBondContact O-N 3.34Å; R499-L502 PolarHBondContact O-N 2.77Å; R499-E503 WeakPolarHBondContact O-CB 3.46Å; R499-E503 PolarHBondContact O-N 3.04Å
500	M	57.8	Low	52.5	Low	121 Å²	121	120.2 Å²	120.2	60%	0.596	57%	0.572	S	S	*	*	H	α-helix	trans	-62.1	-38.6	-179.6	-172.9	179.8	71.5	0	0	112.9	K496 K497 K504	K496-M500 WeakPolarHBondContact O-CB 3.43Å; K496-M500 PolarHBondContact O-N 2.96Å; K497-M500 PolarHBondContact O-N 3.32Å; M500-K504 WeakPolarHBondContact O-CB 3.5Å; M500-K504 PolarHBondContact O-N 3.23Å
501	I	64.4	Low	53.5	Low	114 Å²	114	121.9 Å²	121.9	59%	0.585	57%	0.571	S	S	*	*	H	α-helix	trans	-64.6	-44.8	174	-69.3	163.4	0	0	0	110.8	K497 R498 R499 K504 A505	K497-I501 VanDerWaalsContact O-CG1 3.3Å; K497-I501 WeakPolarHBondContact O-CG1 3.47Å; K497-I501 PolarHBondContact O-N 3.29Å; R498-I501 PolarHBondContact O-N 2.95Å; R499-I501 PolarHBondContact O-N 3.34Å; I501-K504 PolarHBondContact O-N 3.42Å; I501-A505 WeakPolarHBondContact O-CB 3.43Å; I501-A505 PolarHBondContact O-N 3.05Å
502	L	54.5	Low	54.1	Low	126 Å²	126	122.4 Å²	122.4	66%	0.66	57%	0.57	S	S	*	*	H	α-helix	trans	-67.1	-37.4	-179.6	-156.3	75.1	0	0	0	112.1	R498 R499 R506	R498-L502 PolarHBondContact O-N 3.15Å; R498-L502 VanDerWaalsContact O-N 3.14Å; R499-L502 PolarHBondContact O-N 2.77Å; L502-R506 WeakPolarHBondContact O-CB 3.29Å; L502-R506 PolarHBondContact O-N 3.31Å
503	E	58.5	Low	55.1	Low	141 Å²	141	117.5 Å²	117.5	66%	0.659	56%	0.562	S	S	*	*	H	α-helix	trans	-68.8	-42.8	175.6	-173.1	168	-146.1	0	0	111.9	R499 R506 F507	R499-E503 WeakPolarHBondContact O-CB 3.46Å; R499-E503 PolarHBondContact O-N 3.04Å; E503-R506 PolarHBondContact O-N 2.77Å; E503-F507 PolarHBondContact O-N 2.89Å
504	K	56.7	Low	56	Low	127 Å²	127	120.3 Å²	120.3	55%	0.552	57%	0.568	S	S	*	*	H	α-helix	trans	-58.6	-50.5	171.8	179	178.7	169.8	-179	0	111.4	M500 I501 R506 F507 E508	M500-K504 WeakPolarHBondContact O-CB 3.5Å; M500-K504 PolarHBondContact O-N 3.23Å; I501-K504 PolarHBondContact O-N 3.42Å; K504-R506 VanDerWaalsContact C-N 3.28Å; K504-R506 PolarHBondContact O-N 3.22Å; K504-F507 PolarHBondContact O-N 2.99Å; K504-F507 VanDerWaalsContact O-N 3.08Å; K504-E508 VanDerWaalsContact CE-CD 3.43Å; K504-E508 WeakPolarHBondContact CE-OE1 3.23Å; K504-E508 HydrophobicContact CG-CG 4.42Å; K504-E508 IonicContact NZ-OE1 2.95Å; K504-E508 WeakPolarHBondContact O-CG 3.37Å; K504-E508 PolarHBondContact O-N 3.19Å
505	A	52.7	Low	56.7	Low	51 Å²	51	117.9 Å²	117.9	42%	0.421	56%	0.562	S	S	.	*	H	α-helix	trans	-60.5	-36.9	178.5	0	0	0	0	0	112.3	I501 A509	I501-A505 WeakPolarHBondContact O-CB 3.43Å; I501-A505 PolarHBondContact O-N 3.05Å; A505-A509 WeakPolarHBondContact O-CB 3.05Å; A505-A509 PolarHBondContact O-N 3.01Å
506	R	55.3	Low	57.3	Low	181 Å²	181	120 Å²	120	68%	0.683	57%	0.566	S	S	*	*	H	α-helix	trans	-65.4	-39.2	173.8	-170.4	179.8	-171.6	178.1	5	112.3	L502 E503 K504 Q510	L502-R506 WeakPolarHBondContact O-CB 3.29Å; L502-R506 PolarHBondContact O-N 3.31Å; E503-R506 PolarHBondContact O-N 2.77Å; K504-R506 VanDerWaalsContact C-N 3.28Å; K504-R506 PolarHBondContact O-N 3.22Å; R506-Q510 WeakPolarHBondContact O-CG 3.3Å; R506-Q510 PolarHBondContact O-N 3.21Å
507	F	58.3	Low	57.7	Low	133 Å²	133	118.4 Å²	118.4	58%	0.583	56%	0.561	S	S	*	*	H	α-helix	trans	-72.2	-39.4	178.5	-160.2	-95.5	0	0	0	112.2	E503 K504 Q510 L511	E503-F507 PolarHBondContact O-N 2.89Å; K504-F507 PolarHBondContact O-N 2.99Å; K504-F507 VanDerWaalsContact O-N 3.08Å; F507-Q510 PolarHBondContact O-N 3Å; F507-L511 HydrophobicContact CD1-CD1 3.8Å; F507-L511 HydrophobicContact CD1-CG 4.35Å; F507-L511 HydrophobicContact CE1-CD1 3.85Å; F507-L511 HydrophobicContact CE1-CG 4.27Å; F507-L511 PolarHBondContact O-N 3.13Å
508	E	58.6	Low	58	Low	101 Å²	101	122 Å²	122	47%	0.472	57%	0.572	S	S	.	*	H	α-helix	trans	-64.4	-40.5	173.1	-72	173.9	156.9	0	0	111.4	K504 L511 A512	K504-E508 VanDerWaalsContact CE-CD 3.43Å; K504-E508 WeakPolarHBondContact CE-OE1 3.23Å; K504-E508 HydrophobicContact CG-CG 4.42Å; K504-E508 IonicContact NZ-OE1 2.95Å; K504-E508 WeakPolarHBondContact O-CG 3.37Å; K504-E508 PolarHBondContact O-N 3.19Å; E508-L511 PolarHBondContact O-N 3.13Å; E508-A512 WeakPolarHBondContact O-CB 3.14Å; E508-A512 PolarHBondContact O-N 3.15Å
509	A	53.9	Low	58.1	Low	53 Å²	53	119.2 Å²	119.2	44%	0.438	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-39.2	171.8	0	0	0	0	0	112.6	A505 A512 C513	A505-A509 WeakPolarHBondContact O-CB 3.05Å; A505-A509 PolarHBondContact O-N 3.01Å; A509-A512 PolarHBondContact O-N 3.42Å; A509-C513 PolarHBondContact O-N 2.86Å; A509-C513 PolarHBondContact O-SG 2.88Å; A509-C513 VanDerWaalsContact O-SG 3.35Å
510	Q	63.7	Low	57.6	Low	112 Å²	112	114.4 Å²	114.4	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-66.3	-38.6	174.7	-79.7	-178.4	-30.3	0	0	112.6	R506 F507 C513 R514	R506-Q510 WeakPolarHBondContact O-CG 3.3Å; R506-Q510 PolarHBondContact O-N 3.21Å; F507-Q510 PolarHBondContact O-N 3Å; Q510-C513 PolarHBondContact O-N 3.12Å; Q510-R514 WeakPolarHBondContact O-CB 3.36Å; Q510-R514 PolarHBondContact O-N 2.8Å
511	L	60.8	Low	57.1	Low	76 Å²	76	111.8 Å²	111.8	40%	0.398	55%	0.546	S	S	.	.	H	α-helix	trans	-61.5	-48.9	171.6	-78.8	164.2	0	0	0	111.1	F507 E508 C513 R514 D515	F507-L511 HydrophobicContact CD1-CD1 3.8Å; F507-L511 HydrophobicContact CD1-CG 4.35Å; F507-L511 HydrophobicContact CE1-CD1 3.85Å; F507-L511 HydrophobicContact CE1-CG 4.27Å; F507-L511 PolarHBondContact O-N 3.13Å; E508-L511 PolarHBondContact O-N 3.13Å; L511-C513 VanDerWaalsContact C-N 3.33Å; L511-C513 PolarHBondContact O-N 3.28Å; L511-R514 PolarHBondContact O-N 3.03Å; L511-D515 PolarHBondContact O-N 3.48Å
512	A	52.2	Low	56.2	Low	62 Å²	62	109.9 Å²	109.9	51%	0.512	54%	0.536	S	S	.	.	H	α-helix	trans	-59.9	-40.2	178	0	0	0	0	0	112.9	E508 A509 Y516	E508-A512 WeakPolarHBondContact O-CB 3.14Å; E508-A512 PolarHBondContact O-N 3.15Å; A509-A512 PolarHBondContact O-N 3.42Å; A512-Y516 WeakPolarHBondContact O-CB 3.47Å; A512-Y516 PolarHBondContact O-N 3.06Å
513	C	61.2	Low	56	Low	79 Å²	79	110.7 Å²	110.7	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-43.2	172.1	-72.9	0	0	0	0	112	A509 Q510 L511 Y516 E517	A509-C513 PolarHBondContact O-N 2.86Å; A509-C513 PolarHBondContact O-SG 2.88Å; A509-C513 VanDerWaalsContact O-SG 3.35Å; Q510-C513 PolarHBondContact O-N 3.12Å; L511-C513 VanDerWaalsContact C-N 3.33Å; L511-C513 PolarHBondContact O-N 3.28Å; C513-Y516 WeakPolarHBondContact O-CB 3.47Å; C513-Y516 PolarHBondContact O-N 3.35Å; C513-E517 WeakPolarHBondContact O-CG 3.22Å; C513-E517 PolarHBondContact O-N 2.97Å
514	R	59.6	Low	55.2	Low	165 Å²	165	111.3 Å²	111.3	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-70.9	-33.9	-178.3	-143.4	-180	73.4	163.3	5.9	112.6	Q510 L511 E517 W518	Q510-R514 WeakPolarHBondContact O-CB 3.36Å; Q510-R514 PolarHBondContact O-N 2.8Å; L511-R514 PolarHBondContact O-N 3.03Å; R514-E517 PolarHBondContact O-N 3.39Å; R514-W518 WeakPolarHBondContact O-CB 3.32Å; R514-W518 PolarHBondContact O-N 3.37Å
515	D	57.8	Low	54.3	Low	101 Å²	101	112.7 Å²	112.7	54%	0.54	55%	0.546	S	S	.	.	H	α-helix	trans	-68.4	-38.2	171.8	-72	-13	0	0	0	110.9	L511 W518 H519	L511-D515 PolarHBondContact O-N 3.48Å; D515-W518 WeakPolarHBondContact O-CB 3.14Å; D515-W518 PolarHBondContact O-N 2.61Å; D515-H519 WeakPolarHBondContact O-CB 3.45Å; D515-H519 PolarHBondContact O-N 3.45Å
516	Y	61.7	Low	53.5	Low	158 Å²	158	118.8 Å²	118.8	62%	0.62	57%	0.565	S	S	*	*	H	α-helix	trans	-64	-42.9	172.2	-178.6	-93	0	0	0	112.4	A512 C513 W518 H519 M520	A512-Y516 WeakPolarHBondContact O-CB 3.47Å; A512-Y516 PolarHBondContact O-N 3.06Å; C513-Y516 WeakPolarHBondContact O-CB 3.47Å; C513-Y516 PolarHBondContact O-N 3.35Å; Y516-W518 VanDerWaalsContact C-N 3.35Å; Y516-H519 CarbonylContact O-C 3.58Å; Y516-H519 PolarHBondContact O-N 3.02Å; Y516-M520 HydrophobicContact CD1-CG 4.13Å; Y516-M520 HydrophobicContact CE1-CG 3.74Å; Y516-M520 HydrophobicContact CE1-SD 4.17Å; Y516-M520 VanDerWaalsContact O-CG 3.32Å; Y516-M520 WeakPolarHBondContact O-CG 3.21Å; Y516-M520 PolarHBondContact O-N 2.95Å
517	E	60.1	Low	52.7	Low	126 Å²	126	121.1 Å²	121.1	59%	0.589	57%	0.574	S	S	*	*	H	α-helix	trans	-60.2	-42.8	171.9	-74.2	175.3	160.3	0	0	111.5	C513 R514 H519 M520 S521	C513-E517 WeakPolarHBondContact O-CG 3.22Å; C513-E517 PolarHBondContact O-N 2.97Å; R514-E517 PolarHBondContact O-N 3.39Å; E517-H519 VanDerWaalsContact C-N 3.34Å; E517-H519 PolarHBondContact O-N 2.69Å; E517-M520 PolarHBondContact O-N 2.96Å; E517-S521 WeakPolarHBondContact O-CB 3.48Å; E517-S521 PolarHBondContact O-N 2.89Å
518	W	60.4	Low	51.3	Low	177 Å²	177	119.9 Å²	119.9	67%	0.67	58%	0.582	S	S	*	*	H	α-helix	trans	-60.9	-43.5	174	-135.8	78	0	0	0	111.6	R514 D515 Y516 M520 S521 L522	R514-W518 WeakPolarHBondContact O-CB 3.32Å; R514-W518 PolarHBondContact O-N 3.37Å; D515-W518 WeakPolarHBondContact O-CB 3.14Å; D515-W518 PolarHBondContact O-N 2.61Å; Y516-W518 VanDerWaalsContact C-N 3.35Å; W518-M520 VanDerWaalsContact C-N 3.27Å; W518-M520 PolarHBondContact O-N 3.06Å; W518-S521 PolarHBondContact O-N 2.74Å; W518-L522 HydrophobicContact CE3-CD1 3.64Å; W518-L522 HydrophobicContact CE3-CG 3.99Å; W518-L522 HydrophobicContact CZ3-CD1 3.72Å; W518-L522 HydrophobicContact CZ3-CD2 4.08Å; W518-L522 HydrophobicContact CZ3-CG 4.02Å; W518-L522 WeakPolarHBondContact O-CG 3.23Å; W518-L522 PolarHBondContact O-N 3.19Å
519	H	55	Low	50.3	Low	119 Å²	119	120.8 Å²	120.8	55%	0.551	60%	0.597	S	S	*	*	H	α-helix	trans	-68.4	-22.2	177.1	-124.1	-49.1	0	0	0	114.1	D515 Y516 E517	D515-H519 WeakPolarHBondContact O-CB 3.45Å; D515-H519 PolarHBondContact O-N 3.45Å; Y516-H519 CarbonylContact O-C 3.58Å; Y516-H519 PolarHBondContact O-N 3.02Å; E517-H519 VanDerWaalsContact C-N 3.34Å; E517-H519 PolarHBondContact O-N 2.69Å
520	M	46.8	Very low	49.2	Very low	80 Å²	80	125 Å²	125	39%	0.394	62%	0.617	S	S	.	*	H	α-helix	trans	-82.2	-40.6	170.4	-71	-91	67.6	0	0	111.7	Y516 E517 W518 K523 Q524	Y516-M520 HydrophobicContact CD1-CG 4.13Å; Y516-M520 HydrophobicContact CE1-CG 3.74Å; Y516-M520 HydrophobicContact CE1-SD 4.17Å; Y516-M520 VanDerWaalsContact O-CG 3.32Å; Y516-M520 WeakPolarHBondContact O-CG 3.21Å; Y516-M520 PolarHBondContact O-N 2.95Å; E517-M520 PolarHBondContact O-N 2.96Å; W518-M520 VanDerWaalsContact C-N 3.27Å; W518-M520 PolarHBondContact O-N 3.06Å; M520-K523 HydrophobicContact CE-CD 3.87Å; M520-K523 WeakPolarHBondContact O-CB 3.39Å; M520-K523 PolarHBondContact O-N 3.4Å; M520-K523 VanDerWaalsContact O-N 3.08Å; M520-Q524 PolarHBondContact O-N 2.88Å
521	S	46.3	Very low	47.6	Very low	66 Å²	66	127.7 Å²	127.7	46%	0.462	63%	0.632	S	S	.	*	H	α-helix	trans	-63.7	-44.2	178.3	-160.5	0	0	0	0	112	E517 W518 K523 Q524 E525	E517-S521 WeakPolarHBondContact O-CB 3.48Å; E517-S521 PolarHBondContact O-N 2.89Å; W518-S521 PolarHBondContact O-N 2.74Å; S521-K523 PolarHBondContact O-N 3.03Å; S521-K523 VanDerWaalsContact O-N 3.08Å; S521-Q524 PolarHBondContact O-N 2.78Å; S521-E525 PolarHBondContact O-N 2.85Å
522	L	46.3	Very low	46.4	Very low	73 Å²	73	127.6 Å²	127.6	38%	0.382	65%	0.65	S	S	.	*	H	α-helix	trans	-53.4	-28.8	170.7	-79.8	172.2	0	0	0	113.7	W518	W518-L522 HydrophobicContact CE3-CD1 3.64Å; W518-L522 HydrophobicContact CE3-CG 3.99Å; W518-L522 HydrophobicContact CZ3-CD1 3.72Å; W518-L522 HydrophobicContact CZ3-CD2 4.08Å; W518-L522 HydrophobicContact CZ3-CG 4.02Å; W518-L522 WeakPolarHBondContact O-CG 3.23Å; W518-L522 PolarHBondContact O-N 3.19Å
523	K	49.6	Very low	45.6	Very low	144 Å²	144	130.6 Å²	130.6	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-83.5	-10.4	178.2	-73.1	174.9	176.8	172.9	0	113.4	M520 S521	M520-K523 HydrophobicContact CE-CD 3.87Å; M520-K523 WeakPolarHBondContact O-CB 3.39Å; M520-K523 PolarHBondContact O-N 3.4Å; M520-K523 VanDerWaalsContact O-N 3.08Å; S521-K523 PolarHBondContact O-N 3.03Å; S521-K523 VanDerWaalsContact O-N 3.08Å
524	Q	41.8	Very low	44.5	Very low	154 Å²	154	133 Å²	133	72%	0.72	68%	0.679	S	S	*	*	H	α-helix	trans	-91.1	-36.1	173.3	-71.2	-171.1	-27.5	0	0	112.8	M520 S521 H526 R527	M520-Q524 PolarHBondContact O-N 2.88Å; S521-Q524 PolarHBondContact O-N 2.78Å; Q524-H526 PolarHBondContact O-N 3.37Å; Q524-H526 VanDerWaalsContact O-N 3.17Å; Q524-R527 PolarHBondContact O-N 3.25Å; Q524-R527 VanDerWaalsContact O-N 3.16Å
525	E	37.6	Very low	43.4	Very low	156 Å²	156	130.7 Å²	130.7	73%	0.729	69%	0.687	S	S	*	*	H	α-helix	trans	-63.6	-23.5	-177.2	-67.7	-159.8	128.4	0	0	114.2	S521 R527	S521-E525 PolarHBondContact O-N 2.85Å; E525-R527 PolarHBondContact O-N 3.38Å; E525-R527 VanDerWaalsContact O-N 3.1Å
526	H	36.2	Very low	41.9	Very low	178 Å²	178	133.7 Å²	133.7	82%	0.824	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	18	174.1	-83	-63.9	0	0	0	115.2	Q524	Q524-H526 PolarHBondContact O-N 3.37Å; Q524-H526 VanDerWaalsContact O-N 3.17Å
527	R	39.3	Very low	40.3	Very low	231 Å²	231	131.1 Å²	131.1	87%	0.872	71%	0.708	S	S	*	*			trans	-128.7	76.1	166.2	-83.4	-170.4	168.1	-170.7	-2.2	112.4	Q524 E525	Q524-R527 PolarHBondContact O-N 3.25Å; Q524-R527 VanDerWaalsContact O-N 3.16Å; E525-R527 PolarHBondContact O-N 3.38Å; E525-R527 VanDerWaalsContact O-N 3.1Å
528	S	29.3	Very low	38.9	Very low	107 Å²	107	130.5 Å²	130.5	75%	0.748	72%	0.717	S	S	*	*			trans	-74	140.9	163.1	49.1	0	0	0	0	111.3
529	P	37.4	Very low	38.1	Very low	119 Å²	119	127.8 Å²	127.8	77%	0.773	72%	0.723	S	S	*	*			trans	-86.8	149.5	-175	33.9	-35.3	0	0	0	112.7
530	T	29.4	Very low	37.9	Very low	143 Å²	143	126.7 Å²	126.7	88%	0.877	73%	0.726	S	S	*	*			trans	-113	139.8	170	-39.4	0	0	0	0	110.5
531	M	30.9	Very low	37.1	Very low	167 Å²	167	132.9 Å²	132.9	82%	0.823	75%	0.751	S	S	*	*			trans	-67.5	145.4	-172.5	-62.8	-84.7	91.4	0	0	113.4
532	G	36.4	Very low	36.3	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	76%	0.76	S	S	*	*			trans	-104.9	131.9	167.7	0	0	0	0	0	112.2
533	P	34.5	Very low	35.6	Very low	125 Å²	125	138 Å²	138	81%	0.812	79%	0.787	S	S	*	*			trans	-87.1	165.9	167.7	34	-31.2	0	0	0	112.4
534	P	38.7	Very low	34.8	Very low	130 Å²	130	140.7 Å²	140.7	84%	0.844	80%	0.799	S	S	*	*			trans	-102.3	178.7	-149.5	38.3	-35.8	0	0	0	116.8
535	S	34.7	Very low	34.9	Very low	115 Å²	115	139 Å²	139	80%	0.804	80%	0.801	S	S	*	*			trans	-77.7	149.8	-175.8	49.8	0	0	0	0	115.4
536	L	28.2	Very low	34.7	Very low	164 Å²	164	143 Å²	143	86%	0.859	81%	0.81	S	S	*	*			trans	-154.4	137.9	162.8	-106	170.4	0	0	0	113
537	S	28.1	Very low	34.4	Very low	105 Å²	105	139.8 Å²	139.8	73%	0.734	81%	0.807	S	S	*	*			trans	20.6	129.8	156.1	57.8	0	0	0	0	123.5
538	S	30.8	Very low	34.1	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	81%	0.806	S	S	*	*			trans	-84.1	-175.7	150.3	-38.7	0	0	0	0	111
539	P	43.5	Very low	34.3	Very low	120 Å²	120	140 Å²	140	78%	0.779	81%	0.813	S	S	*	*			cis	-134	-142.4	-0.1	45.7	-25.8	0	0	0	110.9
540	P	49	Very low	34	Very low	95 Å²	95	142.6 Å²	142.6	62%	0.617	82%	0.819	S	S	*	*			cis	-123.7	-164.6	-31.1	33	-11.8	0	0	0	113.2
541	F	31	Very low	34	Very low	211 Å²	211	147.6 Å²	147.6	93%	0.925	82%	0.822	S	S	*	*			trans	69.8	143.4	179.9	-53.1	-82.9	0	0	0	115.7
542	G	30.3	Very low	34	Very low	63 Å²	63	144.9 Å²	144.9	65%	0.649	82%	0.819	S	S	*	*			cis	-179	162.3	-7.4	0	0	0	0	0	112.2
543	L	31.4	Very low	33.9	Very low	182 Å²	182	150 Å²	150	95%	0.953	82%	0.823	S	S	*	*			trans	76.6	122.1	177.1	-51.4	177.7	0	0	0	118.7
544	K	32.2	Very low	33.7	Very low	202 Å²	202	153.7 Å²	153.7	88%	0.878	83%	0.826	S	S	*	*			trans	-102.6	179.8	157.5	-67.6	178.4	179.5	176.9	0	107.3
545	P	44.2	Very low	33.1	Very low	117 Å²	117	151.5 Å²	151.5	76%	0.76	81%	0.814	S	S	*	*			cis	-124.6	-172	4.3	34.4	-11.1	0	0	0	112
546	R	32.6	Very low	33.3	Very low	242 Å²	242	155.3 Å²	155.3	91%	0.913	82%	0.821	S	S	*	*			cis	-140.6	162.6	27.7	-72.5	177.1	164.2	160.1	-5	113
547	S	31.1	Very low	33.6	Very low	110 Å²	110	154.5 Å²	154.5	77%	0.769	81%	0.813	S	S	*	*			trans	-102.9	145.8	-176.7	53.9	0	0	0	0	113.7
548	V	31.8	Very low	33.9	Very low	140 Å²	140	155.2 Å²	155.2	85%	0.848	82%	0.818	S	S	*	*			trans	-127.6	132.7	143	-175.3	0	0	0	0	107.9
549	F	35.2	Very low	34.6	Very low	202 Å²	202	155.6 Å²	155.6	89%	0.886	82%	0.815	S	S	*	*			trans	-26.1	124.1	-170.2	-68.7	-91.6	0	0	0	119.8
550	L	30.3	Very low	34.4	Very low	174 Å²	174	153.6 Å²	153.6	91%	0.911	80%	0.798	S	S	*	*			trans	-63.9	144.2	148.9	-79	157.5	0	0	0	110.3
551	R	30.3	Very low	34.5	Very low	247 Å²	247	153.6 Å²	153.6	93%	0.932	80%	0.798	S	S	*	*			trans	-123.8	143.3	154.1	-149.3	174.5	-167.4	-174.7	4	108.6
552	S	30	Very low	35.2	Very low	110 Å²	110	150.7 Å²	150.7	77%	0.769	79%	0.788	S	S	*	*			trans	-60.3	153.5	-163.7	-176.3	0	0	0	0	114.7
553	H	33.4	Very low	36.1	Very low	183 Å²	183	153.8 Å²	153.8	85%	0.847	78%	0.784	S	S	*	*			trans	-39.3	139.4	154.9	-87.9	-112.2	0	0	0	111.7
554	K	30.8	Very low	37.8	Very low	202 Å²	202	148.9 Å²	148.9	88%	0.878	76%	0.761	S	S	*	*			trans	-132.6	164.9	154.6	-105.9	-164.8	172.3	-165.1	0	109.3
555	S	27.3	Very low	39.3	Very low	84 Å²	84	144.5 Å²	144.5	59%	0.587	75%	0.745	S	S	*	*			trans	-58.6	151	-168.9	-160.8	0	0	0	0	114.2	E557	S555-E557 VanDerWaalsContact C-N 3.3Å; S555-E557 WeakPolarHBondContact CB-OE2 3.2Å; S555-E557 PolarHBondContact O-N 2.83Å; S555-E557 PolarHBondContact OG-OE2 2.92Å
556	M	37.2	Very low	40.3	Very low	195 Å²	195	147.3 Å²	147.3	96%	0.961	74%	0.741	S	S	*	*			trans	-89	67.6	173.2	-172.9	174.2	66	0	0	109.6
557	E	35.1	Very low	42.2	Very low	147 Å²	147	143.9 Å²	143.9	69%	0.687	73%	0.728	S	S	*	*			trans	-129.2	149.1	-178.3	-74.6	169.6	113.1	0	0	110.5	S555	S555-E557 VanDerWaalsContact C-N 3.3Å; S555-E557 WeakPolarHBondContact CB-OE2 3.2Å; S555-E557 PolarHBondContact O-N 2.83Å; S555-E557 PolarHBondContact OG-OE2 2.92Å
558	S	35.6	Very low	44.2	Very low	121 Å²	121	144.9 Å²	144.9	85%	0.846	72%	0.718	S	S	*	*			trans	58	88.9	-174.2	58.1	0	0	0	0	115.9
559	V	44.6	Very low	46	Very low	120 Å²	120	143.5 Å²	143.5	73%	0.727	70%	0.704	S	S	*	*			trans	-76.2	126.6	145.6	176.9	0	0	0	0	106.8	P561	V559-P561 WeakPolarHBondContact O-CD 3.33Å
560	D	39.6	Very low	47.9	Very low	79 Å²	79	138.5 Å²	138.5	42%	0.422	68%	0.683	S	S	.	*			trans	-61.9	120.5	-177.3	179.2	6.4	0	0	0	111.6	Q562 F563 T564	D560-Q562 PolarHBondContact O-N 2.95Å; D560-Q562 WeakPolarHBondContact OD1-CB 3.1Å; D560-Q562 PolarHBondContact OD1-N 3.47Å; D560-F563 HydrophobicContact CB-CB 4.17Å; D560-F563 PolarHBondContact O-N 2.82Å; D560-T564 PolarHBondContact O-N 3.49Å; D560-T564 PolarHBondContact O-OG1 3Å
561	P	51.3	Low	50.2	Low	94 Å²	94	135 Å²	135	61%	0.61	66%	0.662	S	S	*	*	H	α-helix	trans	-63.7	-27	175.7	26.6	-34.3	0	0	0	112.4	V559 T564 M565	V559-P561 WeakPolarHBondContact O-CD 3.33Å; P561-T564 PolarHBondContact O-N 3.44Å; P561-M565 VanDerWaalsContact O-CB 3.27Å; P561-M565 WeakPolarHBondContact O-CB 3.04Å; P561-M565 WeakPolarHBondContact O-CG 3.21Å; P561-M565 PolarHBondContact O-N 3.36Å
562	Q	45	Very low	52.5	Low	151 Å²	151	126.9 Å²	126.9	71%	0.706	64%	0.637	S	S	*	*	H	α-helix	trans	-68.1	-40.3	175.7	-63.7	-167.7	-34.9	0	0	111.9	D560 T564 M565 R566	D560-Q562 PolarHBondContact O-N 2.95Å; D560-Q562 WeakPolarHBondContact OD1-CB 3.1Å; D560-Q562 PolarHBondContact OD1-N 3.47Å; Q562-T564 VanDerWaalsContact C-N 3.34Å; Q562-M565 PolarHBondContact O-N 3.26Å; Q562-R566 VanDerWaalsContact O-CB 3.24Å; Q562-R566 WeakPolarHBondContact O-CB 3.22Å; Q562-R566 PolarHBondContact O-N 3.19Å
563	F	48.8	Very low	55	Low	128 Å²	128	129.3 Å²	129.3	56%	0.561	63%	0.629	S	S	*	*	H	α-helix	trans	-62.9	-42.2	173.8	-174.6	-100.1	0	0	0	111.7	D560 R566 R567	D560-F563 HydrophobicContact CB-CB 4.17Å; D560-F563 PolarHBondContact O-N 2.82Å; F563-R566 PolarHBondContact O-N 3.02Å; F563-R567 WeakPolarHBondContact O-CB 3.37Å; F563-R567 PolarHBondContact O-N 2.88Å
564	T	68.1	Low	57.4	Low	78 Å²	78	126 Å²	126	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-66.8	-43.2	178.3	-51.7	0	0	0	0	111.8	D560 P561 Q562 K568	D560-T564 PolarHBondContact O-N 3.49Å; D560-T564 PolarHBondContact O-OG1 3Å; P561-T564 PolarHBondContact O-N 3.44Å; Q562-T564 VanDerWaalsContact C-N 3.34Å; T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.33Å; T564-K568 VanDerWaalsContact O-N 3.09Å
565	M	62.3	Low	59.9	Low	110 Å²	110	119.5 Å²	119.5	54%	0.542	59%	0.587	S	S	.	*	H	α-helix	trans	-63.8	-45.8	174.8	-76.4	-77.6	-77.6	0	0	111.9	P561 Q562 R567 K568 M569	P561-M565 VanDerWaalsContact O-CB 3.27Å; P561-M565 WeakPolarHBondContact O-CB 3.04Å; P561-M565 WeakPolarHBondContact O-CG 3.21Å; P561-M565 PolarHBondContact O-N 3.36Å; Q562-M565 PolarHBondContact O-N 3.26Å; M565-R567 PolarHBondContact O-N 2.63Å; M565-K568 PolarHBondContact O-N 3.47Å; M565-M569 WeakPolarHBondContact O-CG 3.49Å; M565-M569 PolarHBondContact O-N 3.29Å
566	R	65.6	Low	62.6	Low	177 Å²	177	121 Å²	121	67%	0.668	59%	0.587	S	S	*	*	H	α-helix	trans	-58.1	-51	178.2	-179.8	175.1	176.7	162.2	1.6	111	Q562 F563 K568 M569 E570	Q562-R566 VanDerWaalsContact O-CB 3.24Å; Q562-R566 WeakPolarHBondContact O-CB 3.22Å; Q562-R566 PolarHBondContact O-N 3.19Å; F563-R566 PolarHBondContact O-N 3.02Å; R566-K568 VanDerWaalsContact C-N 3.27Å; R566-K568 PolarHBondContact O-N 3.25Å; R566-M569 PolarHBondContact O-N 2.97Å; R566-M569 VanDerWaalsContact O-N 3.13Å; R566-E570 WeakPolarHBondContact O-CB 3.48Å; R566-E570 PolarHBondContact O-N 3.3Å
567	R	72.6	Confident	65	Low	170 Å²	170	115.3 Å²	115.3	64%	0.642	56%	0.558	S	S	*	*	H	α-helix	trans	-61.5	-33.7	178.2	-171.2	175.1	-176.9	167.7	3.9	112.8	F563 M565 Q571	F563-R567 WeakPolarHBondContact O-CB 3.37Å; F563-R567 PolarHBondContact O-N 2.88Å; M565-R567 PolarHBondContact O-N 2.63Å; R567-Q571 WeakPolarHBondContact O-CB 3.33Å; R567-Q571 PolarHBondContact O-N 2.8Å
568	K	74.1	Confident	67.4	Low	130 Å²	130	110.9 Å²	110.9	57%	0.565	54%	0.539	S	S	*	.	H	α-helix	trans	-70.2	-37.9	174.9	-170.9	-176.3	176.8	-168.8	0	112.4	T564 M565 R566 L572	T564-K568 WeakPolarHBondContact O-CB 3.34Å; T564-K568 PolarHBondContact O-N 3.33Å; T564-K568 VanDerWaalsContact O-N 3.09Å; M565-K568 PolarHBondContact O-N 3.47Å; R566-K568 VanDerWaalsContact C-N 3.27Å; R566-K568 PolarHBondContact O-N 3.25Å; K568-L572 HydrophobicContact CG-CD1 4.43Å; K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 WeakPolarHBondContact O-CG 3.38Å; K568-L572 PolarHBondContact O-N 2.85Å
569	M	69.6	Low	69.8	Low	111 Å²	111	108 Å²	108	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-71.3	-34.1	175.1	-67.4	-63.7	167.3	0	0	112.1	M565 R566 L572 R573	M565-M569 WeakPolarHBondContact O-CG 3.49Å; M565-M569 PolarHBondContact O-N 3.29Å; R566-M569 PolarHBondContact O-N 2.97Å; R566-M569 VanDerWaalsContact O-N 3.13Å; M569-L572 HydrophobicContact SD-CD1 4.24Å; M569-R573 WeakPolarHBondContact O-CB 3.43Å; M569-R573 PolarHBondContact O-N 3.09Å
570	E	74.6	Confident	71.9	Confident	98 Å²	98	108.2 Å²	108.2	46%	0.458	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-48.8	172.3	-158.3	156.5	-126.4	0	0	110.4	R566 R573 E574	R566-E570 WeakPolarHBondContact O-CB 3.48Å; R566-E570 PolarHBondContact O-N 3.3Å; E570-R573 WeakPolarHBondContact O-CB 3.32Å; E570-R573 PolarHBondContact O-N 2.8Å; E570-E574 WeakPolarHBondContact O-CG 3.06Å; E570-E574 PolarHBondContact O-N 3.11Å
571	Q	78.6	Confident	74.2	Confident	101 Å²	101	109 Å²	109	47%	0.472	51%	0.507	S	S	.	.	H	α-helix	trans	-59.9	-47.2	172.8	-177.1	-175.4	-16.8	0	0	112.8	R567 R573 E574 E575	R567-Q571 WeakPolarHBondContact O-CB 3.33Å; R567-Q571 PolarHBondContact O-N 2.8Å; Q571-R573 PolarHBondContact O-N 2.96Å; Q571-E574 PolarHBondContact O-N 3.47Å; Q571-E575 HydrophobicContact CG-CG 4.38Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.42Å; Q571-E575 PolarHBondContact NE2-OE1 3.43Å; Q571-E575 WeakPolarHBondContact O-CG 3.29Å; Q571-E575 PolarHBondContact O-N 2.86Å
572	L	78.4	Confident	76.1	Confident	76 Å²	76	104.5 Å²	104.5	40%	0.398	48%	0.478	S	S	.	.	H	α-helix	trans	-61.3	-30	178.1	-78.4	168.3	0	0	0	112.5	K568 M569 L576	K568-L572 HydrophobicContact CG-CD1 4.43Å; K568-L572 WeakPolarHBondContact O-CB 3.46Å; K568-L572 WeakPolarHBondContact O-CG 3.38Å; K568-L572 PolarHBondContact O-N 2.85Å; M569-L572 HydrophobicContact SD-CD1 4.24Å; L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.83Å; L572-L576 VanDerWaalsContact O-N 3.17Å
573	R	81.8	Confident	78.3	Confident	161 Å²	161	99.5 Å²	99.5	61%	0.608	45%	0.453	S	S	*	.	H	α-helix	trans	-72.1	-46.9	173.3	178.6	-178.2	172.9	129.9	17.6	111.6	M569 E570 Q571 E575 L576 E577	M569-R573 WeakPolarHBondContact O-CB 3.43Å; M569-R573 PolarHBondContact O-N 3.09Å; E570-R573 WeakPolarHBondContact O-CB 3.32Å; E570-R573 PolarHBondContact O-N 2.8Å; Q571-R573 PolarHBondContact O-N 2.96Å; R573-E575 VanDerWaalsContact C-N 3.27Å; R573-E575 PolarHBondContact O-N 2.99Å; R573-L576 PolarHBondContact O-N 3.18Å; R573-E577 HydrophobicContact CG-CG 4.42Å; R573-E577 IonicContact CZ-OE1 3.32Å; R573-E577 IonicContact NE-OE1 3.73Å; R573-E577 PolarHBondContact NE-OE1 2.96Å; R573-E577 IonicContact NH2-OE1 3.55Å; R573-E577 PolarHBondContact NH2-OE1 2.84Å; R573-E577 WeakPolarHBondContact O-CG 3.35Å; R573-E577 PolarHBondContact O-N 2.88Å
574	E	83.8	Confident	80.2	Confident	114 Å²	114	98 Å²	98	53%	0.533	45%	0.451	S	S	.	.	H	α-helix	trans	-57.3	-41	174.5	-69.9	171.8	178.3	0	0	111.5	E570 Q571 E577 L578	E570-E574 WeakPolarHBondContact O-CG 3.06Å; E570-E574 PolarHBondContact O-N 3.11Å; Q571-E574 PolarHBondContact O-N 3.47Å; E574-E577 PolarHBondContact O-N 3.23Å; E574-L578 WeakPolarHBondContact O-CB 3.27Å; E574-L578 VanDerWaalsContact O-CG 3.28Å; E574-L578 WeakPolarHBondContact O-CG 3.47Å; E574-L578 PolarHBondContact O-N 3.35Å
575	E	84.3	Confident	81.2	Confident	65 Å²	65	95.4 Å²	95.4	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-66.6	-37.9	177.5	-69.5	177.7	179.6	0	0	112.5	Q571 R573 M579 V672	Q571-E575 HydrophobicContact CG-CG 4.38Å; Q571-E575 WeakPolarHBondContact CG-OE1 3.42Å; Q571-E575 PolarHBondContact NE2-OE1 3.43Å; Q571-E575 WeakPolarHBondContact O-CG 3.29Å; Q571-E575 PolarHBondContact O-N 2.86Å; R573-E575 VanDerWaalsContact C-N 3.27Å; R573-E575 PolarHBondContact O-N 2.99Å; E575-M579 WeakPolarHBondContact O-CG 3.35Å; E575-M579 PolarHBondContact O-N 3.19Å; E575-M579 VanDerWaalsContact O-N 3.11Å; E575-V672 HydrophobicContact CB-CG2 4.21Å; E575-V672 HydrophobicContact CG-CG2 3.87Å
576	L	83.3	Confident	82.5	Confident	115 Å²	115	90.1 Å²	90.1	60%	0.602	41%	0.408	S	S	*	.	H	α-helix	trans	-68.7	-45.2	173.3	-77.3	168.7	0	0	0	112.6	L572 R573 L578 M579 E580	L572-L576 WeakPolarHBondContact O-CG 3.37Å; L572-L576 PolarHBondContact O-N 2.83Å; L572-L576 VanDerWaalsContact O-N 3.17Å; R573-L576 PolarHBondContact O-N 3.18Å; L576-L578 PolarHBondContact O-N 2.99Å; L576-M579 PolarHBondContact O-N 2.93Å; L576-E580 PolarHBondContact O-N 2.86Å
577	E	87.2	Confident	83.8	Confident	75 Å²	75	83.6 Å²	83.6	35%	0.35	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-33	178.3	-72.2	176.4	179.6	0	0	111.3	R573 E574 Q581	R573-E577 HydrophobicContact CG-CG 4.42Å; R573-E577 IonicContact CZ-OE1 3.32Å; R573-E577 IonicContact NE-OE1 3.73Å; R573-E577 PolarHBondContact NE-OE1 2.96Å; R573-E577 IonicContact NH2-OE1 3.55Å; R573-E577 PolarHBondContact NH2-OE1 2.84Å; R573-E577 WeakPolarHBondContact O-CG 3.35Å; R573-E577 PolarHBondContact O-N 2.88Å; E574-E577 PolarHBondContact O-N 3.23Å; E577-Q581 VanDerWaalsContact O-CG 3.23Å; E577-Q581 WeakPolarHBondContact O-CG 3.45Å; E577-Q581 PolarHBondContact O-N 3.15Å; E577-Q581 VanDerWaalsContact O-N 3.09Å; E577-Q581 PolarHBondContact O-NE2 3.16Å
578	L	86.8	Confident	84.5	Confident	55 Å²	55	79.5 Å²	79.5	29%	0.288	38%	0.382	S	S	.	.	H	α-helix	trans	-72.2	-33.3	171.1	-72.5	169.3	0	0	0	113.5	E574 L576 L582 V672 C675	E574-L578 WeakPolarHBondContact O-CB 3.27Å; E574-L578 VanDerWaalsContact O-CG 3.28Å; E574-L578 WeakPolarHBondContact O-CG 3.47Å; E574-L578 PolarHBondContact O-N 3.35Å; L576-L578 PolarHBondContact O-N 2.99Å; L578-L582 WeakPolarHBondContact O-CB 3.42Å; L578-L582 PolarHBondContact O-N 2.88Å; L578-V672 HydrophobicContact CD1-CG1 4.08Å; L578-C675 PolarHBondContact O-SG 2.82Å; L578-C675 VanDerWaalsContact O-SG 3.33Å
579	M	86.1	Confident	85.1	Confident	59 Å²	59	78.1 Å²	78.1	29%	0.291	37%	0.373	S	S	.	.	H	α-helix	trans	-70.1	-36	174.2	-77.1	177.7	55.6	0	0	112.3	E575 L576 L582 R583 L598 L671	E575-M579 WeakPolarHBondContact O-CG 3.35Å; E575-M579 PolarHBondContact O-N 3.19Å; E575-M579 VanDerWaalsContact O-N 3.11Å; L576-M579 PolarHBondContact O-N 2.93Å; M579-L582 PolarHBondContact O-N 3.21Å; M579-R583 PolarHBondContact O-N 2.96Å; M579-R583 VanDerWaalsContact O-N 3.07Å; M579-L598 WeakPolarHBondContact O-CD2 3.25Å; M579-L671 HydrophobicContact CE-CD1 3.68Å; M579-L671 HydrophobicContact CG-CB 4.31Å; M579-L671 HydrophobicContact CG-CD1 4.47Å; M579-L671 HydrophobicContact SD-CB 4.49Å; M579-L671 HydrophobicContact SD-CD1 4.04Å
580	E	87.8	Confident	86	Confident	126 Å²	126	74.6 Å²	74.6	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-66.5	-44.3	173.5	-166	164.6	-140.1	0	0	111	L576 L582 R583 D584	L576-E580 PolarHBondContact O-N 2.86Å; E580-L582 PolarHBondContact O-N 3.19Å; E580-R583 WeakPolarHBondContact O-CB 3.47Å; E580-R583 PolarHBondContact O-N 3.4Å; E580-D584 PolarHBondContact O-N 2.93Å
581	Q	88.9	Confident	86.6	Confident	94 Å²	94	78.9 Å²	78.9	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-59	-42.5	172	-72.3	165	38.3	0	0	112.8	E577 R583 D584 I585	E577-Q581 VanDerWaalsContact O-CG 3.23Å; E577-Q581 WeakPolarHBondContact O-CG 3.45Å; E577-Q581 PolarHBondContact O-N 3.15Å; E577-Q581 VanDerWaalsContact O-N 3.09Å; E577-Q581 PolarHBondContact O-NE2 3.16Å; Q581-R583 VanDerWaalsContact C-N 3.33Å; Q581-R583 PolarHBondContact O-N 2.74Å; Q581-D584 PolarHBondContact O-N 2.89Å; Q581-I585 WeakPolarHBondContact O-CD1 3.45Å; Q581-I585 WeakPolarHBondContact O-CG1 3.34Å; Q581-I585 PolarHBondContact O-N 3.29Å
582	L	90.1	Very high	86.9	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.3	-40	176.6	179.2	54.8	0	0	0	112	L578 M579 E580 I586 L598 L602 V674 C675 V678	L578-L582 WeakPolarHBondContact O-CB 3.42Å; L578-L582 PolarHBondContact O-N 2.88Å; M579-L582 PolarHBondContact O-N 3.21Å; E580-L582 PolarHBondContact O-N 3.19Å; L582-I586 HydrophobicContact CD1-CD1 3.76Å; L582-I586 HydrophobicContact CD1-CG1 4.24Å; L582-I586 HydrophobicContact CG-CD1 4.02Å; L582-I586 WeakPolarHBondContact O-CD1 3.48Å; L582-I586 VanDerWaalsContact O-CG1 3.25Å; L582-I586 WeakPolarHBondContact O-CG1 3.08Å; L582-I586 PolarHBondContact O-N 3.48Å; L582-L598 HydrophobicContact CB-CD2 4.07Å; L582-L598 HydrophobicContact CD2-CD2 3.93Å; L582-L598 HydrophobicContact CG-CD2 3.93Å; L582-L602 HydrophobicContact CD2-CD1 4.09Å; L582-V674 HydrophobicContact CD2-CB 4.3Å; L582-V674 HydrophobicContact CD2-CG1 4.23Å; L582-C675 HydrophobicContact CB-CB 4.1Å; L582-C675 HydrophobicContact CD2-CB 4.18Å; L582-V678 HydrophobicContact CD1-CB 3.7Å; L582-V678 HydrophobicContact CD1-CG1 3.66Å; L582-V678 HydrophobicContact CD1-CG2 3.89Å
583	R	91.1	Very high	87.3	Confident	46 Å²	46	79.8 Å²	79.8	17%	0.174	39%	0.389	C	S	.	.	H	α-helix	trans	-58.3	-57.4	172.3	171.5	-174.4	-62.1	-75.1	-4.9	110.7	M579 E580 Q581 I585 I586 E587 L594 P595 E596	M579-R583 PolarHBondContact O-N 2.96Å; M579-R583 VanDerWaalsContact O-N 3.07Å; E580-R583 WeakPolarHBondContact O-CB 3.47Å; E580-R583 PolarHBondContact O-N 3.4Å; Q581-R583 VanDerWaalsContact C-N 3.33Å; Q581-R583 PolarHBondContact O-N 2.74Å; R583-I585 VanDerWaalsContact C-N 3.26Å; R583-I585 PolarHBondContact O-N 3.38Å; R583-I586 PolarHBondContact O-N 3.19Å; R583-E587 HydrophobicContact CG-CG 3.96Å; R583-E587 WeakPolarHBondContact CG-OE1 3.37Å; R583-E587 IonicContact CZ-OE1 3.14Å; R583-E587 IonicContact NH1-OE1 2.69Å; R583-E587 PolarHBondContact NH1-OE1 3.31Å; R583-E587 WeakPolarHBondContact O-CG 3.32Å; R583-E587 PolarHBondContact O-N 3.16Å; R583-L594 PolarHBondContact NH1-O 3.33Å; R583-P595 PolarHBondContact NH1-O 3.08Å; R583-P595 PolarHBondContact NH2-O 2.74Å; R583-E596 PolarHBondContact NH2-O 3.46Å
584	D	89.4	Confident	87.6	Confident	97 Å²	97	72.9 Å²	72.9	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-56.9	-39.9	-175.1	-77.4	-2.2	0	0	0	112.1	E580 Q581 I586 S588	E580-D584 PolarHBondContact O-N 2.93Å; Q581-D584 PolarHBondContact O-N 2.89Å; D584-I586 PolarHBondContact O-N 2.91Å; D584-S588 WeakPolarHBondContact O-CB 3.29Å; D584-S588 PolarHBondContact O-N 2.91Å; D584-S588 PolarHBondContact O-OG 3.41Å
585	I	88.3	Confident	87.6	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.118	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-40.3	176.1	-67.8	162	0	0	0	111.6	Q581 R583 S588 R589 V678 Q679 V682	Q581-I585 WeakPolarHBondContact O-CD1 3.45Å; Q581-I585 WeakPolarHBondContact O-CG1 3.34Å; Q581-I585 PolarHBondContact O-N 3.29Å; R583-I585 VanDerWaalsContact C-N 3.26Å; R583-I585 PolarHBondContact O-N 3.38Å; I585-S588 PolarHBondContact O-OG 3.45Å; I585-R589 VanDerWaalsContact O-CB 3.3Å; I585-R589 WeakPolarHBondContact O-CB 3.24Å; I585-R589 WeakPolarHBondContact O-CG 2.77Å; I585-R589 PolarHBondContact O-N 2.89Å; I585-V678 HydrophobicContact CB-CG1 4.47Å; I585-V678 HydrophobicContact CG2-CG1 3.67Å; I585-Q679 VanDerWaalsContact CD1-OE1 3.23Å; I585-V682 HydrophobicContact CG2-CG2 3.83Å
586	I	90.8	Very high	87.3	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-76	-48.8	-179.2	-62	166.1	0	0	0	110.7	L582 R583 D584 R589 L590 L594 L602 V607 L611	L582-I586 HydrophobicContact CD1-CD1 3.76Å; L582-I586 HydrophobicContact CD1-CG1 4.24Å; L582-I586 HydrophobicContact CG-CD1 4.02Å; L582-I586 WeakPolarHBondContact O-CD1 3.48Å; L582-I586 VanDerWaalsContact O-CG1 3.25Å; L582-I586 WeakPolarHBondContact O-CG1 3.08Å; L582-I586 PolarHBondContact O-N 3.48Å; R583-I586 PolarHBondContact O-N 3.19Å; D584-I586 PolarHBondContact O-N 2.91Å; I586-R589 PolarHBondContact O-N 3.34Å; I586-L590 HydrophobicContact CG2-CD1 3.93Å; I586-L590 WeakPolarHBondContact O-CB 3.2Å; I586-L590 PolarHBondContact O-N 3.33Å; I586-L594 HydrophobicContact CB-CD1 4.08Å; I586-L594 HydrophobicContact CD1-CD1 4.35Å; I586-L594 HydrophobicContact CG2-CD1 3.83Å; I586-L602 HydrophobicContact CD1-CD1 4.15Å; I586-L602 HydrophobicContact CD1-CD2 3.94Å; I586-V607 HydrophobicContact CG2-CG1 3.53Å; I586-L611 HydrophobicContact CG1-CD2 4.15Å
587	E	91.9	Very high	87.5	Confident	39 Å²	39	74.9 Å²	74.9	18%	0.182	38%	0.379	C	S	.	.	H	α-helix	trans	-63.7	-44.7	-177	-65.6	-165.5	-170.7	0	0	111.4	R583 R589 K591 V592 L594	R583-E587 HydrophobicContact CG-CG 3.96Å; R583-E587 WeakPolarHBondContact CG-OE1 3.37Å; R583-E587 IonicContact CZ-OE1 3.14Å; R583-E587 IonicContact NH1-OE1 2.69Å; R583-E587 PolarHBondContact NH1-OE1 3.31Å; R583-E587 WeakPolarHBondContact O-CG 3.32Å; R583-E587 PolarHBondContact O-N 3.16Å; E587-R589 PolarHBondContact O-N 3.29Å; E587-K591 VanDerWaalsContact O-CA 3.26Å; E587-K591 WeakPolarHBondContact O-CA 3.18Å; E587-K591 PolarHBondContact O-N 3.18Å; E587-V592 WeakPolarHBondContact CA-O 3.2Å; E587-V592 VanDerWaalsContact CB-O 3.23Å; E587-V592 WeakPolarHBondContact CB-O 3.3Å; E587-V592 VanDerWaalsContact CG-O 3.26Å; E587-V592 WeakPolarHBondContact CG-O 3.36Å; E587-L594 HydrophobicContact CG-CB 4.47Å; E587-L594 HydrophobicContact CG-CD1 4.21Å; E587-L594 HydrophobicContact CG-CG 4.01Å; E587-L594 WeakPolarHBondContact OE1-CB 3.43Å; E587-L594 PolarHBondContact OE1-N 3.32Å
588	S	88.2	Confident	87.5	Confident	84 Å²	84	71.4 Å²	71.4	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-66.7	-32.8	178	65.1	0	0	0	0	114	D584 I585	D584-S588 WeakPolarHBondContact O-CB 3.29Å; D584-S588 PolarHBondContact O-N 2.91Å; D584-S588 PolarHBondContact O-OG 3.41Å; I585-S588 PolarHBondContact O-OG 3.45Å
589	R	86.4	Confident	87.5	Confident	102 Å²	102	68.9 Å²	68.9	39%	0.385	35%	0.35	S	S	.	.	H	α-helix	trans	-81.5	-41.6	179.3	-67.9	-66.6	-172.3	-172.2	2.2	112.5	I585 I586 E587 L611 H614	I585-R589 VanDerWaalsContact O-CB 3.3Å; I585-R589 WeakPolarHBondContact O-CB 3.24Å; I585-R589 WeakPolarHBondContact O-CG 2.77Å; I585-R589 PolarHBondContact O-N 2.89Å; I586-R589 PolarHBondContact O-N 3.34Å; E587-R589 PolarHBondContact O-N 3.29Å; R589-L611 HydrophobicContact CB-CD1 3.66Å; R589-L611 HydrophobicContact CG-CD1 4.18Å; R589-H614 PolarHBondContact O-CD2 3.02Å; R589-H614 PolarHBondContact O-CE1 2.85Å; R589-H614 PolarHBondContact O-NE2 3.14Å
590	L	88	Confident	87.6	Confident	37 Å²	37	68.7 Å²	68.7	19%	0.194	36%	0.355	C	S	.	.	H	α-helix	trans	-91.6	-13.1	-177.2	-67.5	-176.7	0	0	0	114.2	I586 V592 V607 H610 L611 H614	I586-L590 HydrophobicContact CG2-CD1 3.93Å; I586-L590 WeakPolarHBondContact O-CB 3.2Å; I586-L590 PolarHBondContact O-N 3.33Å; L590-V592 VanDerWaalsContact C-N 3.25Å; L590-V592 HydrophobicContact CB-CG1 4.38Å; L590-V592 HydrophobicContact CB-CG2 3.91Å; L590-V592 PolarHBondContact O-N 3.47Å; L590-V607 HydrophobicContact CD1-CG1 4.1Å; L590-H610 HydrophobicContact CD1-CB 4.09Å; L590-H610 HydrophobicContact CD2-CB 4.17Å; L590-L611 HydrophobicContact CD1-CB 4.35Å; L590-L611 HydrophobicContact CG-CD1 4.35Å; L590-H614 HydrophobicContact CD2-CB 3.83Å
591	K	87.1	Confident	87.6	Confident	188 Å²	188	63.6 Å²	63.6	82%	0.817	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	38	-174.9	-53.7	-178.7	-177.4	178.9	0	112.9	E587	E587-K591 VanDerWaalsContact O-CA 3.26Å; E587-K591 WeakPolarHBondContact O-CA 3.18Å; E587-K591 PolarHBondContact O-N 3.18Å
592	V	86.5	Confident	87.7	Confident	67 Å²	67	59.2 Å²	59.2	41%	0.406	31%	0.313	S	S	.	.			trans	-118.1	157	173.7	-58.7	0	0	0	0	109.1	E587 L590 L594	E587-V592 WeakPolarHBondContact CA-O 3.2Å; E587-V592 VanDerWaalsContact CB-O 3.23Å; E587-V592 WeakPolarHBondContact CB-O 3.3Å; E587-V592 VanDerWaalsContact CG-O 3.26Å; E587-V592 WeakPolarHBondContact CG-O 3.36Å; L590-V592 VanDerWaalsContact C-N 3.25Å; L590-V592 HydrophobicContact CB-CG1 4.38Å; L590-V592 HydrophobicContact CB-CG2 3.91Å; L590-V592 PolarHBondContact O-N 3.47Å; V592-L594 HydrophobicContact CG2-CD2 4.24Å
593	V	86.1	Confident	87.7	Confident	128 Å²	128	61.3 Å²	61.3	78%	0.776	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-103.1	132.1	169.7	-178.2	0	0	0	0	107.8
594	L	86.9	Confident	87.6	Confident	17 Å²	17	60.9 Å²	60.9	9%	0.089	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-98.3	149.3	179.2	-61	173.3	0	0	0	111	R583 I586 E587 V592 L598 V607	R583-L594 PolarHBondContact NH1-O 3.33Å; I586-L594 HydrophobicContact CB-CD1 4.08Å; I586-L594 HydrophobicContact CD1-CD1 4.35Å; I586-L594 HydrophobicContact CG2-CD1 3.83Å; E587-L594 HydrophobicContact CG-CB 4.47Å; E587-L594 HydrophobicContact CG-CD1 4.21Å; E587-L594 HydrophobicContact CG-CG 4.01Å; E587-L594 WeakPolarHBondContact OE1-CB 3.43Å; E587-L594 PolarHBondContact OE1-N 3.32Å; V592-L594 HydrophobicContact CG2-CD2 4.24Å; L594-L598 HydrophobicContact CD1-CD1 3.7Å; L594-V607 HydrophobicContact CD2-CG1 4.15Å; L594-V607 HydrophobicContact CD2-CG2 4.31Å
595	P	84.9	Confident	87.7	Confident	80 Å²	80	56.3 Å²	56.3	52%	0.519	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-53.5	158.1	168.8	-25.2	33.9	0	0	0	113.2	R583 D597 S601	R583-P595 PolarHBondContact NH1-O 3.08Å; R583-P595 PolarHBondContact NH2-O 2.74Å; P595-D597 VanDerWaalsContact C-N 3.29Å; P595-D597 PolarHBondContact O-N 3.44Å; P595-S601 WeakPolarHBondContact CD-OG 3.4Å; P595-S601 WeakPolarHBondContact CG-OG 3.4Å
596	E	78.7	Confident	87.9	Confident	178 Å²	178	55.8 Å²	55.8	83%	0.832	30%	0.298	S	S	*	.	S	Bend	trans	-57.1	-41	179.1	-69.3	-173.6	169.3	0	0	112.5	R583 L598	R583-E596 PolarHBondContact NH2-O 3.46Å; E596-L598 PolarHBondContact O-N 3.17Å
597	D	85.9	Confident	88	Confident	77 Å²	77	57.1 Å²	57.1	41%	0.412	31%	0.306	S	S	.	.			trans	-76.6	102.1	170.5	176	29.9	0	0	0	111.5	P595 G599 S600 S601	P595-D597 VanDerWaalsContact C-N 3.29Å; P595-D597 PolarHBondContact O-N 3.44Å; D597-G599 VanDerWaalsContact C-N 3.29Å; D597-G599 WeakPolarHBondContact OD1-CA 3.43Å; D597-G599 PolarHBondContact OD1-N 3.17Å; D597-S600 WeakPolarHBondContact OD2-CB 3.44Å; D597-S600 PolarHBondContact OD2-N 2.95Å; D597-S600 VanDerWaalsContact OD2-N 3.1Å; D597-S600 PolarHBondContact OD2-OG 2.83Å; D597-S601 WeakPolarHBondContact O-CB 3.49Å; D597-S601 PolarHBondContact O-OG 3.11Å
598	L	86.8	Confident	88.1	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-17.4	174.9	-168.7	60.5	0	0	0	112.9	M579 L582 L594 E596 L602 L671	M579-L598 WeakPolarHBondContact O-CD2 3.25Å; L582-L598 HydrophobicContact CB-CD2 4.07Å; L582-L598 HydrophobicContact CD2-CD2 3.93Å; L582-L598 HydrophobicContact CG-CD2 3.93Å; L594-L598 HydrophobicContact CD1-CD1 3.7Å; E596-L598 PolarHBondContact O-N 3.17Å; L598-L602 HydrophobicContact CD1-CD1 3.82Å; L598-L602 HydrophobicContact CD1-CD2 4.39Å; L598-L602 HydrophobicContact CD1-CG 3.97Å; L598-L602 HydrophobicContact CG-CD1 3.83Å; L598-L602 HydrophobicContact CG-CG 4.29Å; L598-L602 VanDerWaalsContact O-CG 3.25Å; L598-L602 WeakPolarHBondContact O-CG 3.08Å; L598-L602 PolarHBondContact O-N 3.3Å; L598-L671 HydrophobicContact CB-CD1 4.49Å
599	G	87.4	Confident	88.4	Confident	2 Å²	2	51.2 Å²	51.2	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-66.5	-67.7	178.1	0	0	0	0	0	111.6	D597 S601 L602 M603	D597-G599 VanDerWaalsContact C-N 3.29Å; D597-G599 WeakPolarHBondContact OD1-CA 3.43Å; D597-G599 PolarHBondContact OD1-N 3.17Å; G599-S601 PolarHBondContact O-N 3.28Å; G599-L602 PolarHBondContact O-N 3.03Å; G599-M603 PolarHBondContact O-N 3.1Å
600	S	87.4	Confident	88.7	Confident	55 Å²	55	50.2 Å²	50.2	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-28.2	-179.5	63.9	0	0	0	0	113.1	D597 L602 E668	D597-S600 WeakPolarHBondContact OD2-CB 3.44Å; D597-S600 PolarHBondContact OD2-N 2.95Å; D597-S600 VanDerWaalsContact OD2-N 3.1Å; D597-S600 PolarHBondContact OD2-OG 2.83Å; S600-L602 VanDerWaalsContact C-N 3.3Å; S600-L602 PolarHBondContact O-N 2.97Å; S600-E668 WeakPolarHBondContact CA-OE1 3.28Å; S600-E668 WeakPolarHBondContact CB-OE1 3.41Å; S600-E668 PolarHBondContact N-OE1 2.87Å
601	S	87.8	Confident	88.9	Confident	19 Å²	19	48.5 Å²	48.5	13%	0.133	26%	0.259	C	S	.	.	H	α-helix	trans	-68.8	-20.1	175.4	-59.2	0	0	0	0	114.6	P595 D597 G599	P595-S601 WeakPolarHBondContact CD-OG 3.4Å; P595-S601 WeakPolarHBondContact CG-OG 3.4Å; D597-S601 WeakPolarHBondContact O-CB 3.49Å; D597-S601 PolarHBondContact O-OG 3.11Å; G599-S601 PolarHBondContact O-N 3.28Å
602	L	91.1	Very high	89.1	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-110	-18.1	177.7	-61.4	-178.1	0	0	0	113.5	L582 I586 L598 G599 S600 D604 G605 V607 L608 I665 L671	L582-L602 HydrophobicContact CD2-CD1 4.09Å; I586-L602 HydrophobicContact CD1-CD1 4.15Å; I586-L602 HydrophobicContact CD1-CD2 3.94Å; L598-L602 HydrophobicContact CD1-CD1 3.82Å; L598-L602 HydrophobicContact CD1-CD2 4.39Å; L598-L602 HydrophobicContact CD1-CG 3.97Å; L598-L602 HydrophobicContact CG-CD1 3.83Å; L598-L602 HydrophobicContact CG-CG 4.29Å; L598-L602 VanDerWaalsContact O-CG 3.25Å; L598-L602 WeakPolarHBondContact O-CG 3.08Å; L598-L602 PolarHBondContact O-N 3.3Å; G599-L602 PolarHBondContact O-N 3.03Å; S600-L602 VanDerWaalsContact C-N 3.3Å; S600-L602 PolarHBondContact O-N 2.97Å; L602-D604 PolarHBondContact O-N 3.21Å; L602-D604 VanDerWaalsContact O-N 3.13Å; L602-G605 PolarHBondContact O-N 2.88Å; L602-V607 HydrophobicContact CD2-CB 3.83Å; L602-V607 HydrophobicContact CD2-CG1 3.77Å; L602-L608 HydrophobicContact CB-CD1 4.46Å; L602-L608 HydrophobicContact CD1-CD2 4.37Å; L602-L608 HydrophobicContact CD2-CD2 4.1Å; L602-L608 HydrophobicContact CD2-CG 4.15Å; L602-I665 VanDerWaalsContact O-CG2 3.23Å; L602-I665 WeakPolarHBondContact O-CG2 3.46Å; L602-L671 HydrophobicContact CD1-CD2 4.23Å
603	M	90.9	Very high	89.4	Confident	44 Å²	44	38.1 Å²	38.1	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-52.4	-33.3	-178.9	174.5	178.1	46.8	0	0	113.9	G599 G605 M635 E668	G599-M603 PolarHBondContact O-N 3.1Å; M603-G605 VanDerWaalsContact C-N 3.26Å; M603-G605 PolarHBondContact O-N 3.16Å; M603-M635 HydrophobicContact CE-CE 4.37Å; M603-M635 HydrophobicContact CG-CE 4.48Å; M603-M635 HydrophobicContact SD-CE 3.77Å; M603-E668 HydrophobicContact CB-CG 4.36Å; M603-E668 VanDerWaalsContact CE-OE1 3.28Å; M603-E668 WeakPolarHBondContact CE-OE1 3.3Å; M603-E668 HydrophobicContact SD-CG 4.47Å
604	D	89.6	Confident	89.6	Confident	38 Å²	38	37.2 Å²	37.2	20%	0.203	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-9.9	-178.6	87.3	-13.9	0	0	0	114.2	L602 V606 L633 N641	L602-D604 PolarHBondContact O-N 3.21Å; L602-D604 VanDerWaalsContact O-N 3.13Å; D604-V606 HydrophobicContact CB-CG2 4.49Å; D604-V606 PolarHBondContact O-N 3.31Å; D604-V606 VanDerWaalsContact OD1-CB 3.29Å; D604-V606 WeakPolarHBondContact OD1-CB 3.23Å; D604-V606 PolarHBondContact OD1-N 2.78Å; D604-V606 VanDerWaalsContact OD2-CG2 3.24Å; D604-V606 WeakPolarHBondContact OD2-CG2 3.41Å; D604-L633 HydrophobicContact CB-CD1 3.99Å; D604-N641 VanDerWaalsContact O-CB 3.29Å; D604-N641 WeakPolarHBondContact O-CB 3.28Å; D604-N641 PolarHBondContact O-ND2 3.34Å
605	G	91	Very high	89.6	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	70.1	-2.1	-179	0	0	0	0	0	115.6	L602 M603 C609	L602-G605 PolarHBondContact O-N 2.88Å; M603-G605 VanDerWaalsContact C-N 3.26Å; M603-G605 PolarHBondContact O-N 3.16Å; G605-C609 WeakPolarHBondContact O-CB 3.47Å; G605-C609 PolarHBondContact O-N 3.37Å; G605-C609 PolarHBondContact O-SG 3.46Å
606	V	93	Very high	89.8	Confident	13 Å²	13	38.4 Å²	38.4	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-67.6	-51.7	-174.5	174.1	0	0	0	0	110.4	D604 L608 C609 H610 I623 H624 V625 L633 N641	D604-V606 HydrophobicContact CB-CG2 4.49Å; D604-V606 PolarHBondContact O-N 3.31Å; D604-V606 VanDerWaalsContact OD1-CB 3.29Å; D604-V606 WeakPolarHBondContact OD1-CB 3.23Å; D604-V606 PolarHBondContact OD1-N 2.78Å; D604-V606 VanDerWaalsContact OD2-CG2 3.24Å; D604-V606 WeakPolarHBondContact OD2-CG2 3.41Å; V606-L608 VanDerWaalsContact C-N 3.32Å; V606-L608 PolarHBondContact O-N 2.95Å; V606-C609 WeakPolarHBondContact O-CB 3.41Å; V606-C609 PolarHBondContact O-N 3.21Å; V606-H610 PolarHBondContact O-CD2 3.49Å; V606-H610 PolarHBondContact O-N 3.5Å; V606-I623 HydrophobicContact CB-CG2 4.38Å; V606-I623 HydrophobicContact CG1-CG2 4.14Å; V606-I623 HydrophobicContact CG2-CG2 4.17Å; V606-H624 VanDerWaalsContact CG2-O 3.25Å; V606-H624 WeakPolarHBondContact CG2-O 3.25Å; V606-V625 HydrophobicContact CG1-CG2 4.31Å; V606-L633 HydrophobicContact CG2-CD1 3.75Å; V606-N641 WeakPolarHBondContact CG2-ND2 3.24Å
607	V	93	Very high	90.2	Very high	27 Å²	27	34.7 Å²	34.7	16%	0.164	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-44.7	179	-179.8	0	0	0	0	111.5	I586 L590 L594 L602 H610 L611	I586-V607 HydrophobicContact CG2-CG1 3.53Å; L590-V607 HydrophobicContact CD1-CG1 4.1Å; L594-V607 HydrophobicContact CD2-CG1 4.15Å; L594-V607 HydrophobicContact CD2-CG2 4.31Å; L602-V607 HydrophobicContact CD2-CB 3.83Å; L602-V607 HydrophobicContact CD2-CG1 3.77Å; V607-H610 PolarHBondContact O-N 3.38Å; V607-L611 PolarHBondContact O-N 2.85Å
608	L	93.6	Very high	90.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-40.7	178.5	-64.4	177	0	0	0	112.2	L602 V606 L611 A612 F645 I665 V674 V678	L602-L608 HydrophobicContact CB-CD1 4.46Å; L602-L608 HydrophobicContact CD1-CD2 4.37Å; L602-L608 HydrophobicContact CD2-CD2 4.1Å; L602-L608 HydrophobicContact CD2-CG 4.15Å; V606-L608 VanDerWaalsContact C-N 3.32Å; V606-L608 PolarHBondContact O-N 2.95Å; L608-L611 PolarHBondContact O-N 3.09Å; L608-A612 PolarHBondContact O-N 3.2Å; L608-F645 HydrophobicContact CB-CB 4.44Å; L608-F645 HydrophobicContact CB-CD1 4.03Å; L608-F645 HydrophobicContact CB-CD2 3.68Å; L608-F645 HydrophobicContact CB-CE1 4.18Å; L608-F645 HydrophobicContact CB-CE2 3.83Å; L608-F645 HydrophobicContact CB-CG 3.78Å; L608-F645 HydrophobicContact CB-CZ 4.08Å; L608-F645 HydrophobicContact CD1-CD1 4.13Å; L608-F645 HydrophobicContact CD1-CE1 4.02Å; L608-F645 HydrophobicContact CD1-CZ 4.48Å; L608-F645 HydrophobicContact CD2-CZ 4.2Å; L608-F645 HydrophobicContact CG-CE1 4.48Å; L608-F645 HydrophobicContact CG-CZ 4.49Å; L608-F645 WeakPolarHBondContact O-CD2 3.48Å; L608-F645 WeakPolarHBondContact O-CE2 3.43Å; L608-I665 HydrophobicContact CD1-CD1 3.65Å; L608-I665 HydrophobicContact CD1-CG1 4.06Å; L608-I665 HydrophobicContact CD1-CG2 4.14Å; L608-V674 HydrophobicContact CD1-CG1 4.26Å; L608-V674 HydrophobicContact CD2-CG1 4.28Å; L608-V678 HydrophobicContact CD2-CG2 4.09Å
609	C	93.9	Very high	90.3	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-40.5	173.3	-75.4	0	0	0	0	112.8	G605 V606 A612 N613 V620 I623 N641	G605-C609 WeakPolarHBondContact O-CB 3.47Å; G605-C609 PolarHBondContact O-N 3.37Å; G605-C609 PolarHBondContact O-SG 3.46Å; V606-C609 WeakPolarHBondContact O-CB 3.41Å; V606-C609 PolarHBondContact O-N 3.21Å; C609-A612 PolarHBondContact O-N 2.76Å; C609-N613 PolarHBondContact O-N 2.92Å; C609-N613 VanDerWaalsContact O-N 3.1Å; C609-V620 HydrophobicContact CB-CB 4.46Å; C609-V620 HydrophobicContact CB-CG1 4.09Å; C609-V620 HydrophobicContact CB-CG2 4.26Å; C609-I623 HydrophobicContact CB-CD1 3.56Å; C609-I623 HydrophobicContact CB-CG1 3.71Å; C609-I623 HydrophobicContact CB-CG2 4.07Å; C609-N641 PolarHBondContact SG-O 3.04Å
610	H	92.5	Very high	90.5	Very high	81 Å²	81	43.2 Å²	43.2	38%	0.375	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-41.2	174.7	-73.4	-66.7	0	0	0	111.7	L590 V606 V607 A612 N613 H614	L590-H610 HydrophobicContact CD1-CB 4.09Å; L590-H610 HydrophobicContact CD2-CB 4.17Å; V606-H610 PolarHBondContact O-CD2 3.49Å; V606-H610 PolarHBondContact O-N 3.5Å; V607-H610 PolarHBondContact O-N 3.38Å; H610-A612 PolarHBondContact O-N 3.13Å; H610-N613 PolarHBondContact O-N 3.32Å; H610-H614 PolarHBondContact O-N 2.77Å
611	L	92.6	Very high	90.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-47.6	175.5	-175.4	72	0	0	0	111.8	I586 R589 L590 V607 L608 N613 H614 I615 V678	I586-L611 HydrophobicContact CG1-CD2 4.15Å; R589-L611 HydrophobicContact CB-CD1 3.66Å; R589-L611 HydrophobicContact CG-CD1 4.18Å; L590-L611 HydrophobicContact CD1-CB 4.35Å; L590-L611 HydrophobicContact CG-CD1 4.35Å; V607-L611 PolarHBondContact O-N 2.85Å; L608-L611 PolarHBondContact O-N 3.09Å; L611-N613 VanDerWaalsContact C-N 3.29Å; L611-N613 PolarHBondContact O-N 3.21Å; L611-H614 PolarHBondContact O-N 2.95Å; L611-H614 VanDerWaalsContact O-N 3.15Å; L611-I615 HydrophobicContact CD1-CD1 4.35Å; L611-I615 HydrophobicContact CD2-CD1 4.49Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CG1 3.47Å; L611-I615 PolarHBondContact O-N 2.95Å; L611-V678 HydrophobicContact CD2-CG1 3.66Å; L611-V678 HydrophobicContact CD2-CG2 4.12Å
612	A	92.3	Very high	90.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.2	-37.6	177.3	0	0	0	0	0	112.4	L608 C609 H610 I615 R616 V620 F645 A648 I652 L681	L608-A612 PolarHBondContact O-N 3.2Å; C609-A612 PolarHBondContact O-N 2.76Å; H610-A612 PolarHBondContact O-N 3.13Å; A612-I615 PolarHBondContact O-N 3.11Å; A612-R616 PolarHBondContact O-N 3.02Å; A612-V620 HydrophobicContact CB-CG2 4.26Å; A612-F645 HydrophobicContact CB-CD2 3.99Å; A612-F645 HydrophobicContact CB-CE2 4.25Å; A612-A648 HydrophobicContact CB-CB 4.16Å; A612-I652 HydrophobicContact CB-CD1 4.45Å; A612-L681 HydrophobicContact CB-CD2 4.3Å
613	N	91.8	Very high	90.2	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-72.1	-30.5	174.3	-89.7	-20.4	0	0	0	113.7	C609 H610 L611 R616 P617 R618 S619 V620	C609-N613 PolarHBondContact O-N 2.92Å; C609-N613 VanDerWaalsContact O-N 3.1Å; H610-N613 PolarHBondContact O-N 3.32Å; L611-N613 VanDerWaalsContact C-N 3.29Å; L611-N613 PolarHBondContact O-N 3.21Å; N613-R616 CarbonylContact O-C 3.14Å; N613-R616 VanDerWaalsContact O-C 3.27Å; N613-P617 VanDerWaalsContact O-CA 3.26Å; N613-P617 WeakPolarHBondContact O-CA 3.3Å; N613-R618 PolarHBondContact OD1-N 3.08Å; N613-S619 PolarHBondContact OD1-N 3.42Å; N613-V620 PolarHBondContact ND2-O 3.15Å; N613-V620 PolarHBondContact OD1-N 3.38Å; N613-V620 PolarHBondContact OD1-O 3.36Å
614	H	89.9	Confident	90.2	Very high	109 Å²	109	49.7 Å²	49.7	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-73	-32.9	172.7	-168.9	-67.9	0	0	0	111.8	R589 L590 H610 L611	R589-H614 PolarHBondContact O-CD2 3.02Å; R589-H614 PolarHBondContact O-CE1 2.85Å; R589-H614 PolarHBondContact O-NE2 3.14Å; L590-H614 HydrophobicContact CD2-CB 3.83Å; H610-H614 PolarHBondContact O-N 2.77Å; L611-H614 PolarHBondContact O-N 2.95Å; L611-H614 VanDerWaalsContact O-N 3.15Å
615	I	88.1	Confident	90.2	Very high	29 Å²	29	51.9 Å²	51.9	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-72.3	-43	175.5	-76.7	168.5	0	0	0	111.6	L611 A612 I652 L681 V682 A685	L611-I615 HydrophobicContact CD1-CD1 4.35Å; L611-I615 HydrophobicContact CD2-CD1 4.49Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CG1 3.47Å; L611-I615 PolarHBondContact O-N 2.95Å; A612-I615 PolarHBondContact O-N 3.11Å; I615-I652 HydrophobicContact CG2-CD1 4.38Å; I615-L681 HydrophobicContact CD1-CB 4.34Å; I615-L681 HydrophobicContact CD1-CD2 3.77Å; I615-L681 HydrophobicContact CD1-CG 3.73Å; I615-L681 HydrophobicContact CG2-CG 4.42Å; I615-V682 HydrophobicContact CD1-CG2 3.66Å; I615-A685 HydrophobicContact CG2-CB 3.71Å
616	R	87.5	Confident	89.8	Confident	94 Å²	94	54.2 Å²	54.2	36%	0.355	29%	0.292	S	S	.	.	S	Bend	trans	-142.8	108.6	172.5	-177.4	-177.3	-61.6	171.2	11	110	A612 N613 R618 S619 K651 I652	A612-R616 PolarHBondContact O-N 3.02Å; N613-R616 CarbonylContact O-C 3.14Å; N613-R616 VanDerWaalsContact O-C 3.27Å; R616-R618 PolarHBondContact O-N 3.13Å; R616-S619 VanDerWaalsContact CB-OG 3.3Å; R616-S619 WeakPolarHBondContact CB-OG 3.26Å; R616-S619 WeakPolarHBondContact CG-OG 3.48Å; R616-S619 WeakPolarHBondContact O-CB 3.33Å; R616-S619 PolarHBondContact O-N 3.36Å; R616-S619 PolarHBondContact O-OG 3.25Å; R616-K651 PolarHBondContact NH1-O 3.31Å; R616-K651 VanDerWaalsContact NH1-O 3.07Å; R616-I652 HydrophobicContact CB-CD1 4.14Å; R616-I652 HydrophobicContact CB-CG1 4.12Å; R616-I652 PolarHBondContact NH2-O 3.02Å
617	P	88.3	Confident	89.1	Confident	100 Å²	100	56.6 Å²	56.6	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	136.5	-177.5	-31	36.7	0	0	0	114	N613 S619	N613-P617 VanDerWaalsContact O-CA 3.26Å; N613-P617 WeakPolarHBondContact O-CA 3.3Å; P617-S619 VanDerWaalsContact C-N 3.31Å; P617-S619 PolarHBondContact O-N 2.96Å
618	R	84.9	Confident	88	Confident	229 Å²	229	61.9 Å²	61.9	86%	0.864	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	18.4	179.8	-51.8	175.2	-72.4	-167.3	-3.8	115.5	N613 R616	N613-R618 PolarHBondContact OD1-N 3.08Å; R616-R618 PolarHBondContact O-N 3.13Å
619	S	89.8	Confident	86.8	Confident	23 Å²	23	66.1 Å²	66.1	16%	0.161	38%	0.379	C	S	.	.	S	Bend	trans	-70.6	-33.5	175.4	-61	0	0	0	0	113.5	N613 R616 P617	N613-S619 PolarHBondContact OD1-N 3.42Å; R616-S619 VanDerWaalsContact CB-OG 3.3Å; R616-S619 WeakPolarHBondContact CB-OG 3.26Å; R616-S619 WeakPolarHBondContact CG-OG 3.48Å; R616-S619 WeakPolarHBondContact O-CB 3.33Å; R616-S619 PolarHBondContact O-N 3.36Å; R616-S619 PolarHBondContact O-OG 3.25Å; P617-S619 VanDerWaalsContact C-N 3.31Å; P617-S619 PolarHBondContact O-N 2.96Å
620	V	91.3	Very high	85.9	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.048	41%	0.406	C	S	.	.	S	Bend	trans	-105.8	111.9	168	176.3	0	0	0	0	108.7	C609 A612 N613 S622 I623 N644 A648	C609-V620 HydrophobicContact CB-CB 4.46Å; C609-V620 HydrophobicContact CB-CG1 4.09Å; C609-V620 HydrophobicContact CB-CG2 4.26Å; A612-V620 HydrophobicContact CB-CG2 4.26Å; N613-V620 PolarHBondContact ND2-O 3.15Å; N613-V620 PolarHBondContact OD1-N 3.38Å; N613-V620 PolarHBondContact OD1-O 3.36Å; V620-S622 WeakPolarHBondContact CG1-O 3.4Å; V620-I623 HydrophobicContact CG1-CD1 4.37Å; V620-I623 HydrophobicContact CG1-CG1 3.68Å; V620-N644 HydrophobicContact CG1-CB 4.03Å; V620-A648 HydrophobicContact CG2-CB 3.53Å
621	A	80.6	Confident	84.6	Confident	107 Å²	107	71.6 Å²	71.6	88%	0.884	42%	0.42	S	S	*	.			trans	-79.5	-19.8	-174	0	0	0	0	0	114.7
622	S	89.1	Confident	84	Confident	69 Å²	69	80 Å²	80	48%	0.483	46%	0.456	S	S	.	.			trans	-151.9	135.1	177.2	-177.3	0	0	0	0	110.7	V620 N644	V620-S622 WeakPolarHBondContact CG1-O 3.4Å; S622-N644 PolarHBondContact O-ND2 3.4Å
623	I	91.4	Very high	83.7	Confident	35 Å²	35	81.2 Å²	81.2	18%	0.179	46%	0.462	C	S	.	.			trans	-128	123.7	179.6	-51.4	176.8	0	0	0	106.7	V606 C609 V620 V625	V606-I623 HydrophobicContact CB-CG2 4.38Å; V606-I623 HydrophobicContact CG1-CG2 4.14Å; V606-I623 HydrophobicContact CG2-CG2 4.17Å; C609-I623 HydrophobicContact CB-CD1 3.56Å; C609-I623 HydrophobicContact CB-CG1 3.71Å; C609-I623 HydrophobicContact CB-CG2 4.07Å; V620-I623 HydrophobicContact CG1-CD1 4.37Å; V620-I623 HydrophobicContact CG1-CG1 3.68Å; I623-V625 HydrophobicContact CB-CG2 4.48Å; I623-V625 HydrophobicContact CG2-CG2 4.07Å; I623-V625 PolarHBondContact O-N 3.05Å
624	H	90.6	Very high	83.7	Confident	44 Å²	44	82.6 Å²	82.6	20%	0.204	48%	0.475	C	S	.	.			trans	-81.5	108.8	171.5	-52.1	79.3	0	0	0	107.6	V606 L633 K637 R640 N641	V606-H624 VanDerWaalsContact CG2-O 3.25Å; V606-H624 WeakPolarHBondContact CG2-O 3.25Å; H624-L633 HydrophobicContact CB-CD2 4.01Å; H624-L633 WeakPolarHBondContact O-CD1 3.47Å; H624-K637 HydrophobicContact CB-CB 3.92Å; H624-K637 HydrophobicContact CB-CD 4.19Å; H624-K637 HydrophobicContact CB-CG 4.26Å; H624-R640 VanDerWaalsContact CE1-CD 3.45Å; H624-R640 WeakPolarHBondContact CE1-CD 3.47Å; H624-R640 PolarHBondContact NE2-NH1 3.14Å; H624-N641 WeakPolarHBondContact CB-OD1 3.46Å; H624-N641 PolarHBondContact N-OD1 3.38Å; H624-N641 PolarHBondContact ND1-OD1 2.95Å; H624-N641 PolarHBondContact O-ND2 3.01Å
625	V	88.4	Confident	83.6	Confident	84 Å²	84	82 Å²	82	51%	0.509	47%	0.474	S	S	.	.			trans	-97.4	145	177.2	-174.8	0	0	0	0	109	V606 I623	V606-V625 HydrophobicContact CG1-CG2 4.31Å; I623-V625 HydrophobicContact CB-CG2 4.48Å; I623-V625 HydrophobicContact CG2-CG2 4.07Å; I623-V625 PolarHBondContact O-N 3.05Å
626	P	83.4	Confident	83.6	Confident	50 Å²	50	83.4 Å²	83.4	33%	0.325	49%	0.49	S	S	.	.			trans	-62	156.1	171	26.9	-35.3	0	0	0	111.8	L633	P626-L633 HydrophobicContact CB-CG 4.31Å
627	S	78.9	Confident	83.8	Confident	62 Å²	62	83.3 Å²	83.3	43%	0.434	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-107.5	149.8	177.8	170	0	0	0	0	109.8	A629 V630	S627-A629 PolarHBondContact O-N 3.02Å; S627-A629 PolarHBondContact OG-N 3.34Å; S627-V630 PolarHBondContact N-O 2.83Å; S627-V630 CarbonylContact O-C 3.56Å; S627-V630 WeakPolarHBondContact O-CA 3.06Å; S627-V630 PolarHBondContact O-N 3.2Å
628	P	69.8	Low	84	Confident	138 Å²	138	78.7 Å²	78.7	90%	0.896	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.5	173.8	-28.2	36.2	0	0	0	114.2
629	A	68.5	Low	84.4	Confident	89 Å²	89	74.5 Å²	74.5	74%	0.736	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-15.5	175.7	0	0	0	0	0	114.3	S627	S627-A629 PolarHBondContact O-N 3.02Å; S627-A629 PolarHBondContact OG-N 3.34Å
630	V	74.3	Confident	84.6	Confident	93 Å²	93	79.7 Å²	79.7	56%	0.564	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-140.9	81	178.9	-173.5	0	0	0	0	108.3	S627 K632	S627-V630 PolarHBondContact N-O 2.83Å; S627-V630 CarbonylContact O-C 3.56Å; S627-V630 WeakPolarHBondContact O-CA 3.06Å; S627-V630 PolarHBondContact O-N 3.2Å; V630-K632 PolarHBondContact O-N 2.94Å; V630-K632 VanDerWaalsContact O-N 3.15Å
631	P	66.3	Low	84.8	Confident	103 Å²	103	79.3 Å²	79.3	67%	0.669	46%	0.46	S	S	*	.			trans	-74.7	-2.8	-166.4	28.9	-36.7	0	0	0	114.7
632	K	79.5	Confident	85.4	Confident	178 Å²	178	74.2 Å²	74.2	77%	0.774	42%	0.418	S	S	*	.	S	Bend	trans	-124.4	129.7	174.2	-66.6	-168.6	175.9	-170.7	0	110.6	V630	V630-K632 PolarHBondContact O-N 2.94Å; V630-K632 VanDerWaalsContact O-N 3.15Å
633	L	86.2	Confident	85.7	Confident	24 Å²	24	75.4 Å²	75.4	13%	0.126	42%	0.416	C	S	.	.			trans	-69.5	146.6	171.6	-73.2	163	0	0	0	110.5	D604 V606 H624 P626 K637	D604-L633 HydrophobicContact CB-CD1 3.99Å; V606-L633 HydrophobicContact CG2-CD1 3.75Å; H624-L633 HydrophobicContact CB-CD2 4.01Å; H624-L633 WeakPolarHBondContact O-CD1 3.47Å; P626-L633 HydrophobicContact CB-CG 4.31Å; L633-K637 HydrophobicContact CB-CB 4.4Å; L633-K637 HydrophobicContact CD2-CB 3.99Å; L633-K637 HydrophobicContact CD2-CD 3.64Å; L633-K637 HydrophobicContact CD2-CG 4.48Å
634	S	90.1	Very high	85.9	Confident	67 Å²	67	76.4 Å²	76.4	47%	0.469	42%	0.422	S	S	.	.			trans	-75.6	148.7	170.2	62.2	0	0	0	0	110.3	A636 K637 C638	S634-A636 PolarHBondContact O-N 3.36Å; S634-K637 WeakPolarHBondContact O-CA 3.28Å; S634-K637 WeakPolarHBondContact O-CB 3.37Å; S634-K637 PolarHBondContact O-N 2.95Å; S634-C638 PolarHBondContact O-N 2.95Å; S634-C638 VanDerWaalsContact O-N 3.13Å; S634-C638 PolarHBondContact O-SG 3.18Å
635	M	89.4	Confident	86.1	Confident	96 Å²	96	74.3 Å²	74.3	47%	0.473	41%	0.412	S	S	.	.	H	α-helix	trans	-56.7	-25.7	-176.3	-74.7	-66.1	144	0	0	114.4	M603 C638 R639	M603-M635 HydrophobicContact CE-CE 4.37Å; M603-M635 HydrophobicContact CG-CE 4.48Å; M603-M635 HydrophobicContact SD-CE 3.77Å; M635-C638 HydrophobicContact SD-CB 4.48Å; M635-R639 WeakPolarHBondContact O-CB 3.2Å; M635-R639 VanDerWaalsContact O-CG 3.28Å; M635-R639 WeakPolarHBondContact O-CG 3.3Å; M635-R639 PolarHBondContact O-N 3.14Å
636	A	88.1	Confident	86.4	Confident	59 Å²	59	70.7 Å²	70.7	49%	0.488	39%	0.39	S	S	.	.	H	α-helix	trans	-69.7	-29.1	172.3	0	0	0	0	0	113.6	S634 R640	S634-A636 PolarHBondContact O-N 3.36Å; A636-R640 WeakPolarHBondContact O-CG 3.38Å
637	K	91.7	Very high	86.9	Confident	91 Å²	91	71 Å²	71	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-78.4	-43.2	171.9	-67	-179	177.3	-176.3	0	111.1	H624 L633 S634 R639 R640 N641	H624-K637 HydrophobicContact CB-CB 3.92Å; H624-K637 HydrophobicContact CB-CD 4.19Å; H624-K637 HydrophobicContact CB-CG 4.26Å; L633-K637 HydrophobicContact CB-CB 4.4Å; L633-K637 HydrophobicContact CD2-CB 3.99Å; L633-K637 HydrophobicContact CD2-CD 3.64Å; L633-K637 HydrophobicContact CD2-CG 4.48Å; S634-K637 WeakPolarHBondContact O-CA 3.28Å; S634-K637 WeakPolarHBondContact O-CB 3.37Å; S634-K637 PolarHBondContact O-N 2.95Å; K637-R639 VanDerWaalsContact C-N 3.35Å; K637-R639 PolarHBondContact O-N 2.88Å; K637-R640 PolarHBondContact O-N 3.43Å; K637-N641 PolarHBondContact O-N 2.93Å
638	C	92.9	Very high	87.6	Confident	4 Å²	4	68 Å²	68	3%	0.027	37%	0.368	C	S	.	.	H	α-helix	trans	-57.2	-47.2	175.5	-50.8	0	0	0	0	111.2	S634 M635 R640 N641 V642 L666	S634-C638 PolarHBondContact O-N 2.95Å; S634-C638 VanDerWaalsContact O-N 3.13Å; S634-C638 PolarHBondContact O-SG 3.18Å; M635-C638 HydrophobicContact SD-CB 4.48Å; C638-R640 PolarHBondContact O-N 3.33Å; C638-N641 WeakPolarHBondContact O-CB 3.35Å; C638-N641 PolarHBondContact O-N 3.5Å; C638-N641 VanDerWaalsContact O-N 3.15Å; C638-V642 WeakPolarHBondContact O-CG2 3.39Å; C638-V642 PolarHBondContact O-N 3.39Å; C638-L666 HydrophobicContact CB-CD2 3.96Å
639	R	93.1	Very high	88.7	Confident	141 Å²	141	61.5 Å²	61.5	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-53.4	-49.6	174.5	-80.4	168	-176.7	-112.9	-2.5	112.7	M635 K637 N641 V642 E643 L666	M635-R639 WeakPolarHBondContact O-CB 3.2Å; M635-R639 VanDerWaalsContact O-CG 3.28Å; M635-R639 WeakPolarHBondContact O-CG 3.3Å; M635-R639 PolarHBondContact O-N 3.14Å; K637-R639 VanDerWaalsContact C-N 3.35Å; K637-R639 PolarHBondContact O-N 2.88Å; R639-N641 VanDerWaalsContact C-N 3.35Å; R639-N641 PolarHBondContact O-N 3.42Å; R639-V642 PolarHBondContact O-N 3.05Å; R639-E643 WeakPolarHBondContact O-CB 3.29Å; R639-E643 VanDerWaalsContact O-CG 3.26Å; R639-E643 WeakPolarHBondContact O-CG 3.41Å; R639-E643 PolarHBondContact O-N 2.98Å; R639-L666 HydrophobicContact CB-CD1 4.47Å; R639-L666 HydrophobicContact CG-CD1 3.51Å; R639-L666 HydrophobicContact CG-CD2 4.2Å
640	R	92.9	Very high	89.9	Confident	131 Å²	131	62.8 Å²	62.8	49%	0.494	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-38.3	177.1	-69.4	173	-170.5	169.5	0.9	113.2	H624 A636 K637 C638 N644	H624-R640 VanDerWaalsContact CE1-CD 3.45Å; H624-R640 WeakPolarHBondContact CE1-CD 3.47Å; H624-R640 PolarHBondContact NE2-NH1 3.14Å; A636-R640 WeakPolarHBondContact O-CG 3.38Å; K637-R640 PolarHBondContact O-N 3.43Å; C638-R640 PolarHBondContact O-N 3.33Å; R640-N644 VanDerWaalsContact O-CB 3.24Å; R640-N644 WeakPolarHBondContact O-CB 3.4Å; R640-N644 PolarHBondContact O-N 2.93Å
641	N	95	Very high	90.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-47.5	175.9	-69.1	-10.8	0	0	0	110.4	D604 V606 C609 H624 K637 C638 R639 E643 N644 F645	D604-N641 VanDerWaalsContact O-CB 3.29Å; D604-N641 WeakPolarHBondContact O-CB 3.28Å; D604-N641 PolarHBondContact O-ND2 3.34Å; V606-N641 WeakPolarHBondContact CG2-ND2 3.24Å; C609-N641 PolarHBondContact SG-O 3.04Å; H624-N641 WeakPolarHBondContact CB-OD1 3.46Å; H624-N641 PolarHBondContact N-OD1 3.38Å; H624-N641 PolarHBondContact ND1-OD1 2.95Å; H624-N641 PolarHBondContact O-ND2 3.01Å; K637-N641 PolarHBondContact O-N 2.93Å; C638-N641 WeakPolarHBondContact O-CB 3.35Å; C638-N641 PolarHBondContact O-N 3.5Å; C638-N641 VanDerWaalsContact O-N 3.15Å; R639-N641 VanDerWaalsContact C-N 3.35Å; R639-N641 PolarHBondContact O-N 3.42Å; N641-E643 PolarHBondContact O-N 2.98Å; N641-N644 PolarHBondContact O-N 3.04Å; N641-F645 WeakPolarHBondContact O-CB 3.32Å; N641-F645 PolarHBondContact O-N 3.48Å
642	V	94.6	Very high	91.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-42.9	176.7	173.8	0	0	0	0	111.9	C638 R639 F645 L646 P662 I665 L666	C638-V642 WeakPolarHBondContact O-CG2 3.39Å; C638-V642 PolarHBondContact O-N 3.39Å; R639-V642 PolarHBondContact O-N 3.05Å; V642-F645 PolarHBondContact O-N 2.91Å; V642-L646 HydrophobicContact CG1-CD1 4.18Å; V642-L646 WeakPolarHBondContact O-CG 3.33Å; V642-L646 PolarHBondContact O-N 2.88Å; V642-P662 HydrophobicContact CG1-CB 4.03Å; V642-I665 HydrophobicContact CG1-CB 4.29Å; V642-I665 HydrophobicContact CG1-CD1 3.72Å; V642-I665 HydrophobicContact CG2-CB 4.2Å; V642-I665 HydrophobicContact CG2-CD1 4.46Å; V642-I665 HydrophobicContact CG2-CG2 3.67Å; V642-L666 HydrophobicContact CG2-CD2 4.02Å; V642-L666 HydrophobicContact CG2-CG 4.2Å
643	E	94.4	Very high	92.2	Very high	94 Å²	94	52.9 Å²	52.9	44%	0.439	26%	0.26	S	S	.	.	H	α-helix	trans	-60.6	-48.7	174.7	-73.5	158.9	-175.4	0	0	111.3	R639 N641 F645 L646 D647	R639-E643 WeakPolarHBondContact O-CB 3.29Å; R639-E643 VanDerWaalsContact O-CG 3.26Å; R639-E643 WeakPolarHBondContact O-CG 3.41Å; R639-E643 PolarHBondContact O-N 2.98Å; N641-E643 PolarHBondContact O-N 2.98Å; E643-F645 VanDerWaalsContact C-N 3.34Å; E643-F645 PolarHBondContact O-N 3.36Å; E643-L646 PolarHBondContact O-N 3.23Å; E643-D647 WeakPolarHBondContact O-CB 3.41Å; E643-D647 PolarHBondContact O-N 3.29Å
644	N	95.1	Very high	92.5	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	26%	0.256	S	S	.	.	H	α-helix	trans	-59.3	-40.7	176.4	-76.9	-7.7	0	0	0	112.6	V620 S622 R640 N641 D647 A648	V620-N644 HydrophobicContact CG1-CB 4.03Å; S622-N644 PolarHBondContact O-ND2 3.4Å; R640-N644 VanDerWaalsContact O-CB 3.24Å; R640-N644 WeakPolarHBondContact O-CB 3.4Å; R640-N644 PolarHBondContact O-N 2.93Å; N641-N644 PolarHBondContact O-N 3.04Å; N644-D647 WeakPolarHBondContact O-CB 3.48Å; N644-D647 PolarHBondContact O-N 3.47Å; N644-A648 WeakPolarHBondContact O-CB 3.37Å; N644-A648 PolarHBondContact O-N 2.9Å
645	F	95.6	Very high	92.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-47.1	175.1	166.8	-108.7	0	0	0	112	L608 A612 N641 V642 E643 D647 A648 C649 I665 T677 V678 L681	L608-F645 HydrophobicContact CB-CB 4.44Å; L608-F645 HydrophobicContact CB-CD1 4.03Å; L608-F645 HydrophobicContact CB-CD2 3.68Å; L608-F645 HydrophobicContact CB-CE1 4.18Å; L608-F645 HydrophobicContact CB-CE2 3.83Å; L608-F645 HydrophobicContact CB-CG 3.78Å; L608-F645 HydrophobicContact CB-CZ 4.08Å; L608-F645 HydrophobicContact CD1-CD1 4.13Å; L608-F645 HydrophobicContact CD1-CE1 4.02Å; L608-F645 HydrophobicContact CD1-CZ 4.48Å; L608-F645 HydrophobicContact CD2-CZ 4.2Å; L608-F645 HydrophobicContact CG-CE1 4.48Å; L608-F645 HydrophobicContact CG-CZ 4.49Å; L608-F645 WeakPolarHBondContact O-CD2 3.48Å; L608-F645 WeakPolarHBondContact O-CE2 3.43Å; A612-F645 HydrophobicContact CB-CD2 3.99Å; A612-F645 HydrophobicContact CB-CE2 4.25Å; N641-F645 WeakPolarHBondContact O-CB 3.32Å; N641-F645 PolarHBondContact O-N 3.48Å; V642-F645 PolarHBondContact O-N 2.91Å; E643-F645 VanDerWaalsContact C-N 3.34Å; E643-F645 PolarHBondContact O-N 3.36Å; F645-D647 VanDerWaalsContact C-N 3.3Å; F645-D647 PolarHBondContact O-N 3.27Å; F645-A648 WeakPolarHBondContact O-CB 3.45Å; F645-A648 PolarHBondContact O-N 3.08Å; F645-C649 VanDerWaalsContact CE2-SG 3.55Å; F645-C649 VanDerWaalsContact CZ-SG 3.53Å; F645-C649 PolarHBondContact O-N 2.61Å; F645-C649 PolarHBondContact O-SG 3.5Å; F645-I665 HydrophobicContact CD1-CD1 4.32Å; F645-I665 HydrophobicContact CE1-CD1 4.39Å; F645-T677 HydrophobicContact CE1-CG2 4.42Å; F645-T677 HydrophobicContact CZ-CG2 4.42Å; F645-V678 HydrophobicContact CZ-CG2 4.2Å; F645-L681 HydrophobicContact CE2-CD2 3.97Å; F645-L681 HydrophobicContact CZ-CD2 4.47Å
646	L	94.6	Very high	92.4	Very high	9 Å²	9	53.2 Å²	53.2	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-34.1	178.4	-67.2	174	0	0	0	112.1	V642 E643 C649 R650 C660 P662	V642-L646 HydrophobicContact CG1-CD1 4.18Å; V642-L646 WeakPolarHBondContact O-CG 3.33Å; V642-L646 PolarHBondContact O-N 2.88Å; E643-L646 PolarHBondContact O-N 3.23Å; L646-C649 PolarHBondContact O-N 3.27Å; L646-R650 PolarHBondContact O-N 3.15Å; L646-R650 VanDerWaalsContact O-N 3.1Å; L646-R650 PolarHBondContact O-NE 3.41Å; L646-C660 VanDerWaalsContact CD2-O 3.24Å; L646-C660 WeakPolarHBondContact CD2-O 3.43Å; L646-P662 HydrophobicContact CD1-CG 3.88Å
647	D	93.8	Very high	92.4	Very high	56 Å²	56	56.3 Å²	56.3	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-42.1	171.4	-111.7	48	0	0	0	112.1	E643 N644 F645 R650 K651	E643-D647 WeakPolarHBondContact O-CB 3.41Å; E643-D647 PolarHBondContact O-N 3.29Å; N644-D647 WeakPolarHBondContact O-CB 3.48Å; N644-D647 PolarHBondContact O-N 3.47Å; F645-D647 VanDerWaalsContact C-N 3.3Å; F645-D647 PolarHBondContact O-N 3.27Å; D647-R650 PolarHBondContact O-N 3.37Å; D647-R650 IonicContact OD1-CZ 2.57Å; D647-R650 IonicContact OD1-NH1 3.17Å; D647-R650 PolarHBondContact OD1-NH1 3.14Å; D647-R650 IonicContact OD1-NH2 2.95Å; D647-R650 PolarHBondContact OD1-NH2 3.32Å; D647-K651 WeakPolarHBondContact O-CD 3.48Å; D647-K651 VanDerWaalsContact O-CG 3.27Å; D647-K651 WeakPolarHBondContact O-CG 3.17Å; D647-K651 PolarHBondContact O-N 3.25Å; D647-K651 IonicContact OD2-NZ 2.83Å; D647-K651 PolarHBondContact OD2-NZ 2.66Å
648	A	93.8	Very high	92.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-42	174.2	0	0	0	0	0	111.7	A612 V620 N644 F645 R650 K651 I652	A612-A648 HydrophobicContact CB-CB 4.16Å; V620-A648 HydrophobicContact CG2-CB 3.53Å; N644-A648 WeakPolarHBondContact O-CB 3.37Å; N644-A648 PolarHBondContact O-N 2.9Å; F645-A648 WeakPolarHBondContact O-CB 3.45Å; F645-A648 PolarHBondContact O-N 3.08Å; A648-R650 PolarHBondContact O-N 3.41Å; A648-K651 CarbonylContact O-C 3.48Å; A648-K651 PolarHBondContact O-N 3.13Å; A648-K651 VanDerWaalsContact O-N 3.14Å; A648-I652 WeakPolarHBondContact O-CB 3.38Å; A648-I652 VanDerWaalsContact O-CG1 3.28Å; A648-I652 WeakPolarHBondContact O-CG1 3.49Å; A648-I652 PolarHBondContact O-N 2.96Å
649	C	93.9	Very high	92.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.4	-45.5	175.4	-64.9	0	0	0	0	112	F645 L646 K651 I652 G653 V654 L659 L681	F645-C649 VanDerWaalsContact CE2-SG 3.55Å; F645-C649 VanDerWaalsContact CZ-SG 3.53Å; F645-C649 PolarHBondContact O-N 2.61Å; F645-C649 PolarHBondContact O-SG 3.5Å; L646-C649 PolarHBondContact O-N 3.27Å; C649-K651 PolarHBondContact O-N 2.84Å; C649-I652 PolarHBondContact O-N 2.88Å; C649-G653 PolarHBondContact O-N 2.8Å; C649-G653 VanDerWaalsContact O-N 3.1Å; C649-V654 HydrophobicContact CB-CB 4.18Å; C649-V654 HydrophobicContact CB-CG2 3.99Å; C649-V654 PolarHBondContact O-N 3.07Å; C649-L659 HydrophobicContact CB-CD2 3.61Å; C649-L681 HydrophobicContact CB-CD1 4.15Å
650	R	92.8	Very high	92.4	Very high	116 Å²	116	49.8 Å²	49.8	44%	0.438	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-38.1	174.4	-80.2	178.5	-88.2	112.2	4.3	112.9	L646 D647 A648 L659	L646-R650 PolarHBondContact O-N 3.15Å; L646-R650 VanDerWaalsContact O-N 3.1Å; L646-R650 PolarHBondContact O-NE 3.41Å; D647-R650 PolarHBondContact O-N 3.37Å; D647-R650 IonicContact OD1-CZ 2.57Å; D647-R650 IonicContact OD1-NH1 3.17Å; D647-R650 PolarHBondContact OD1-NH1 3.14Å; D647-R650 IonicContact OD1-NH2 2.95Å; D647-R650 PolarHBondContact OD1-NH2 3.32Å; A648-R650 PolarHBondContact O-N 3.41Å; R650-L659 HydrophobicContact CG-CD1 3.38Å
651	K	90.1	Very high	92.4	Very high	129 Å²	129	47.8 Å²	47.8	56%	0.561	24%	0.24	S	C	*	.	H	α-helix	trans	-73.2	-25.5	174.7	-69.2	160.2	-170.1	153.2	0	113.2	R616 D647 A648 C649	R616-K651 PolarHBondContact NH1-O 3.31Å; R616-K651 VanDerWaalsContact NH1-O 3.07Å; D647-K651 WeakPolarHBondContact O-CD 3.48Å; D647-K651 VanDerWaalsContact O-CG 3.27Å; D647-K651 WeakPolarHBondContact O-CG 3.17Å; D647-K651 PolarHBondContact O-N 3.25Å; D647-K651 IonicContact OD2-NZ 2.83Å; D647-K651 PolarHBondContact OD2-NZ 2.66Å; A648-K651 CarbonylContact O-C 3.48Å; A648-K651 PolarHBondContact O-N 3.13Å; A648-K651 VanDerWaalsContact O-N 3.14Å; C649-K651 PolarHBondContact O-N 2.84Å
652	I	89	Confident	92.2	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-76.6	-42	179.1	-75.4	163.9	0	0	0	111.1	A612 I615 R616 A648 C649 L681 E684	A612-I652 HydrophobicContact CB-CD1 4.45Å; I615-I652 HydrophobicContact CG2-CD1 4.38Å; R616-I652 HydrophobicContact CB-CD1 4.14Å; R616-I652 HydrophobicContact CB-CG1 4.12Å; R616-I652 PolarHBondContact NH2-O 3.02Å; A648-I652 WeakPolarHBondContact O-CB 3.38Å; A648-I652 VanDerWaalsContact O-CG1 3.28Å; A648-I652 WeakPolarHBondContact O-CG1 3.49Å; A648-I652 PolarHBondContact O-N 2.96Å; C649-I652 PolarHBondContact O-N 2.88Å; I652-L681 HydrophobicContact CB-CD1 3.89Å; I652-L681 HydrophobicContact CD1-CD1 3.73Å; I652-L681 HydrophobicContact CG1-CD1 4.4Å; I652-L681 HydrophobicContact CG2-CD1 3.7Å; I652-E684 HydrophobicContact CG2-CB 4.37Å
653	G	89.2	Confident	92	Very high	34 Å²	34	54.3 Å²	54.3	35%	0.351	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	140.3	4.2	176.3	0	0	0	0	0	114.7	C649 P655	C649-G653 PolarHBondContact O-N 2.8Å; C649-G653 VanDerWaalsContact O-N 3.1Å; G653-P655 WeakPolarHBondContact O-CD 3.44Å
654	V	91.6	Very high	91.9	Very high	8 Å²	8	51.5 Å²	51.5	5%	0.048	26%	0.262	C	S	.	.			trans	-63.2	124.9	-172.4	-179.7	0	0	0	0	111.1	C649 K658 L659 A680 L681	C649-V654 HydrophobicContact CB-CB 4.18Å; C649-V654 HydrophobicContact CB-CG2 3.99Å; C649-V654 PolarHBondContact O-N 3.07Å; V654-K658 HydrophobicContact CG1-CB 4.33Å; V654-L659 HydrophobicContact CB-CD2 3.99Å; V654-L659 HydrophobicContact CG1-CD2 3.69Å; V654-L659 HydrophobicContact CG1-CG 4.07Å; V654-A680 HydrophobicContact CG1-CB 3.92Å; V654-L681 HydrophobicContact CG2-CB 3.99Å; V654-L681 HydrophobicContact CG2-CD1 3.52Å; V654-L681 HydrophobicContact CG2-CG 4.4Å
655	P	89	Confident	91.7	Very high	52 Å²	52	49 Å²	49	34%	0.338	25%	0.248	S	C	.	.			trans	-58.3	142.1	179.7	-27.4	35.9	0	0	0	113.8	G653 D657 K658 L659	G653-P655 WeakPolarHBondContact O-CD 3.44Å; P655-D657 WeakPolarHBondContact CB-OD1 3.47Å; P655-D657 PolarHBondContact O-N 3.22Å; P655-K658 HydrophobicContact CB-CG 4.3Å; P655-K658 HydrophobicContact CG-CD 4.38Å; P655-K658 PolarHBondContact O-N 3.47Å; P655-L659 PolarHBondContact O-N 2.87Å
656	Q	88.6	Confident	91.4	Very high	134 Å²	134	50 Å²	50	63%	0.626	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.2	-172.3	-173.1	60.3	59.2	0	0	113.7
657	D	89.5	Confident	91	Very high	124 Å²	124	54.9 Å²	54.9	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.3	172.6	58.6	-64.7	0	0	0	113.7	P655	P655-D657 WeakPolarHBondContact CB-OD1 3.47Å; P655-D657 PolarHBondContact O-N 3.22Å
658	K	90.8	Very high	90.5	Very high	79 Å²	79	55.8 Å²	55.8	34%	0.343	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-8.2	178.8	-61.3	-167.7	-177.7	-176.5	0	113.8	V654 P655 V676 T677 A680	V654-K658 HydrophobicContact CG1-CB 4.33Å; P655-K658 HydrophobicContact CB-CG 4.3Å; P655-K658 HydrophobicContact CG-CD 4.38Å; P655-K658 PolarHBondContact O-N 3.47Å; K658-V676 HydrophobicContact CB-CG1 4.09Å; K658-V676 HydrophobicContact CG-CG1 4.28Å; K658-T677 WeakPolarHBondContact O-CA 3.42Å; K658-T677 PolarHBondContact O-N 2.62Å; K658-T677 PolarHBondContact O-OG1 3.23Å; K658-A680 HydrophobicContact CB-CB 4.19Å; K658-A680 HydrophobicContact CD-CB 3.69Å
659	L	92.3	Very high	89.7	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-76.1	134.8	178.6	-72.1	171.3	0	0	0	112.5	C649 R650 V654 P655 T677	C649-L659 HydrophobicContact CB-CD2 3.61Å; R650-L659 HydrophobicContact CG-CD1 3.38Å; V654-L659 HydrophobicContact CB-CD2 3.99Å; V654-L659 HydrophobicContact CG1-CD2 3.69Å; V654-L659 HydrophobicContact CG1-CG 4.07Å; P655-L659 PolarHBondContact O-N 2.87Å; L659-T677 WeakPolarHBondContact CA-OG1 3.38Å; L659-T677 HydrophobicContact CD2-CG2 4.03Å
660	C	93.3	Very high	89.3	Confident	3 Å²	3	65 Å²	65	2%	0.02	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-78.6	156.1	169	60.7	0	0	0	0	111.6	L646 H664 K673 V674 T677	L646-C660 VanDerWaalsContact CD2-O 3.24Å; L646-C660 WeakPolarHBondContact CD2-O 3.43Å; C660-H664 HydrophobicContact CB-CB 4.15Å; C660-H664 WeakPolarHBondContact CB-ND1 3.13Å; C660-K673 HydrophobicContact CB-CB 4.16Å; C660-V674 HydrophobicContact CB-CG2 4.33Å; C660-T677 PolarHBondContact N-OG1 3.34Å
661	L	92.6	Very high	89	Confident	89 Å²	89	60.3 Å²	60.3	47%	0.466	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-94.4	155.7	176.6	-60.1	175.9	0	0	0	109.8	H663 H664	L661-H663 PolarHBondContact O-N 2.64Å; L661-H663 VanDerWaalsContact O-N 3.12Å; L661-H664 PolarHBondContact N-ND1 3.32Å; L661-H664 VanDerWaalsContact N-ND1 3.14Å; L661-H664 VanDerWaalsContact O-CB 3.27Å; L661-H664 WeakPolarHBondContact O-CB 3.17Å; L661-H664 PolarHBondContact O-N 2.99Å
662	P	91.5	Very high	89	Confident	47 Å²	47	56.6 Å²	56.6	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-54.5	-36.7	-175.5	-28.6	34.9	0	0	0	114.6	V642 L646 H664 I665 L666	V642-P662 HydrophobicContact CG1-CB 4.03Å; L646-P662 HydrophobicContact CD1-CG 3.88Å; P662-H664 VanDerWaalsContact C-N 3.28Å; P662-H664 PolarHBondContact O-N 3.27Å; P662-I665 PolarHBondContact O-N 2.83Å; P662-L666 HydrophobicContact CB-CD1 3.93Å; P662-L666 WeakPolarHBondContact O-CB 3.27Å; P662-L666 WeakPolarHBondContact O-CD1 3.27Å; P662-L666 VanDerWaalsContact O-CG 3.28Å; P662-L666 WeakPolarHBondContact O-CG 3.44Å; P662-L666 PolarHBondContact O-N 2.94Å
663	H	90.1	Very high	89.1	Confident	89 Å²	89	61.4 Å²	61.4	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-66.9	-24.4	177.7	61.4	-105.3	0	0	0	113.6	L661 I665 E667	L661-H663 PolarHBondContact O-N 2.64Å; L661-H663 VanDerWaalsContact O-N 3.12Å; H663-I665 PolarHBondContact O-N 2.92Å; H663-E667 HydrophobicContact CB-CG 4.21Å; H663-E667 WeakPolarHBondContact CB-OE1 3.34Å; H663-E667 WeakPolarHBondContact O-CB 3.45Å; H663-E667 PolarHBondContact O-N 3.37Å
664	H	91.8	Very high	89.2	Confident	36 Å²	36	59.8 Å²	59.8	17%	0.167	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-27.1	174.7	-64.8	167.6	0	0	0	112.6	C660 L661 P662 G670 K673 V674	C660-H664 HydrophobicContact CB-CB 4.15Å; C660-H664 WeakPolarHBondContact CB-ND1 3.13Å; L661-H664 PolarHBondContact N-ND1 3.32Å; L661-H664 VanDerWaalsContact N-ND1 3.14Å; L661-H664 VanDerWaalsContact O-CB 3.27Å; L661-H664 WeakPolarHBondContact O-CB 3.17Å; L661-H664 PolarHBondContact O-N 2.99Å; P662-H664 VanDerWaalsContact C-N 3.28Å; P662-H664 PolarHBondContact O-N 3.27Å; H664-G670 CarbonylContact O-C 3.43Å; H664-G670 VanDerWaalsContact O-CA 3.27Å; H664-G670 WeakPolarHBondContact O-CA 3.47Å; H664-G670 PolarHBondContact O-N 2.98Å; H664-G670 VanDerWaalsContact O-N 3.15Å; H664-K673 WeakPolarHBondContact ND1-CB 3.35Å; H664-V674 HydrophobicContact CB-CG2 4.29Å
665	I	90.9	Very high	89.3	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-97.7	-48	178.3	-62.8	159.1	0	0	0	109.9	L602 L608 V642 F645 P662 H663 E667 E668 V674	L602-I665 VanDerWaalsContact O-CG2 3.23Å; L602-I665 WeakPolarHBondContact O-CG2 3.46Å; L608-I665 HydrophobicContact CD1-CD1 3.65Å; L608-I665 HydrophobicContact CD1-CG1 4.06Å; L608-I665 HydrophobicContact CD1-CG2 4.14Å; V642-I665 HydrophobicContact CG1-CB 4.29Å; V642-I665 HydrophobicContact CG1-CD1 3.72Å; V642-I665 HydrophobicContact CG2-CB 4.2Å; V642-I665 HydrophobicContact CG2-CD1 4.46Å; V642-I665 HydrophobicContact CG2-CG2 3.67Å; F645-I665 HydrophobicContact CD1-CD1 4.32Å; F645-I665 HydrophobicContact CE1-CD1 4.39Å; P662-I665 PolarHBondContact O-N 2.83Å; H663-I665 PolarHBondContact O-N 2.92Å; I665-E667 VanDerWaalsContact C-N 3.32Å; I665-E667 PolarHBondContact O-N 3.47Å; I665-E668 PolarHBondContact O-N 3.5Å; I665-V674 HydrophobicContact CD1-CG2 4.36Å; I665-V674 HydrophobicContact CG1-CG1 4.34Å; I665-V674 HydrophobicContact CG1-CG2 3.51Å
666	L	89.6	Confident	89.4	Confident	22 Å²	22	59.9 Å²	59.9	12%	0.115	30%	0.296	C	S	.	.	H	α-helix	trans	-74	-16.1	-172.9	-65.8	165.2	0	0	0	115	C638 R639 V642 P662	C638-L666 HydrophobicContact CB-CD2 3.96Å; R639-L666 HydrophobicContact CB-CD1 4.47Å; R639-L666 HydrophobicContact CG-CD1 3.51Å; R639-L666 HydrophobicContact CG-CD2 4.2Å; V642-L666 HydrophobicContact CG2-CD2 4.02Å; V642-L666 HydrophobicContact CG2-CG 4.2Å; P662-L666 HydrophobicContact CB-CD1 3.93Å; P662-L666 WeakPolarHBondContact O-CB 3.27Å; P662-L666 WeakPolarHBondContact O-CD1 3.27Å; P662-L666 VanDerWaalsContact O-CG 3.28Å; P662-L666 WeakPolarHBondContact O-CG 3.44Å; P662-L666 PolarHBondContact O-N 2.94Å
667	E	86.9	Confident	89.7	Confident	110 Å²	110	53.5 Å²	53.5	51%	0.514	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	9.4	176.2	-56.3	-177.6	-157.5	0	0	112.6	H663 I665 K669	H663-E667 HydrophobicContact CB-CG 4.21Å; H663-E667 WeakPolarHBondContact CB-OE1 3.34Å; H663-E667 WeakPolarHBondContact O-CB 3.45Å; H663-E667 PolarHBondContact O-N 3.37Å; I665-E667 VanDerWaalsContact C-N 3.32Å; I665-E667 PolarHBondContact O-N 3.47Å; E667-K669 VanDerWaalsContact O-CG 3.32Å; E667-K669 WeakPolarHBondContact O-CG 3.42Å; E667-K669 PolarHBondContact O-N 2.9Å
668	E	83.1	Confident	89.8	Confident	76 Å²	76	47.6 Å²	47.6	36%	0.355	24%	0.235	S	C	.	.	S	Bend	trans	60.7	-12.7	176.9	-58.2	171.3	166.7	0	0	115.9	S600 M603 I665 G670	S600-E668 WeakPolarHBondContact CA-OE1 3.28Å; S600-E668 WeakPolarHBondContact CB-OE1 3.41Å; S600-E668 PolarHBondContact N-OE1 2.87Å; M603-E668 HydrophobicContact CB-CG 4.36Å; M603-E668 VanDerWaalsContact CE-OE1 3.28Å; M603-E668 WeakPolarHBondContact CE-OE1 3.3Å; M603-E668 HydrophobicContact SD-CG 4.47Å; I665-E668 PolarHBondContact O-N 3.5Å; E668-G670 PolarHBondContact O-N 3.4Å
669	K	77.1	Confident	89.9	Confident	185 Å²	185	47.2 Å²	47.2	80%	0.804	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-2	-173.5	-68.8	156.5	-170	169.4	0	115.6	E667	E667-K669 VanDerWaalsContact O-CG 3.32Å; E667-K669 WeakPolarHBondContact O-CG 3.42Å; E667-K669 PolarHBondContact O-N 2.9Å
670	G	84.9	Confident	89.8	Confident	9 Å²	9	46.6 Å²	46.6	9%	0.093	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	15.1	-171.2	0	0	0	0	0	115.7	H664 E668 V672 K673 V674	H664-G670 CarbonylContact O-C 3.43Å; H664-G670 VanDerWaalsContact O-CA 3.27Å; H664-G670 WeakPolarHBondContact O-CA 3.47Å; H664-G670 PolarHBondContact O-N 2.98Å; H664-G670 VanDerWaalsContact O-N 3.15Å; E668-G670 PolarHBondContact O-N 3.4Å; G670-V672 PolarHBondContact O-N 3.35Å; G670-V672 VanDerWaalsContact O-N 3.12Å; G670-K673 WeakPolarHBondContact O-CB 3.46Å; G670-K673 PolarHBondContact O-N 3.06Å; G670-V674 PolarHBondContact O-N 2.97Å
671	L	87.7	Confident	89.7	Confident	16 Å²	16	46.4 Å²	46.4	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-53.2	-35.5	-171.8	-66.9	176.5	0	0	0	114.3	M579 L598 L602 K673 V674 C675	M579-L671 HydrophobicContact CE-CD1 3.68Å; M579-L671 HydrophobicContact CG-CB 4.31Å; M579-L671 HydrophobicContact CG-CD1 4.47Å; M579-L671 HydrophobicContact SD-CB 4.49Å; M579-L671 HydrophobicContact SD-CD1 4.04Å; L598-L671 HydrophobicContact CB-CD1 4.49Å; L602-L671 HydrophobicContact CD1-CD2 4.23Å; L671-K673 VanDerWaalsContact C-N 3.26Å; L671-K673 PolarHBondContact O-N 3.26Å; L671-V674 CarbonylContact O-C 3.12Å; L671-V674 WeakPolarHBondContact O-CA 3.49Å; L671-V674 WeakPolarHBondContact O-CB 3.49Å; L671-V674 PolarHBondContact O-N 2.96Å; L671-C675 PolarHBondContact O-N 3.08Å
672	V	89.4	Confident	89.5	Confident	51 Å²	51	42.8 Å²	42.8	31%	0.309	21%	0.212	S	C	.	.	H	α-helix	trans	-54.6	-41.3	173.7	-179.8	0	0	0	0	111.9	E575 L578 G670 V676	E575-V672 HydrophobicContact CB-CG2 4.21Å; E575-V672 HydrophobicContact CG-CG2 3.87Å; L578-V672 HydrophobicContact CD1-CG1 4.08Å; G670-V672 PolarHBondContact O-N 3.35Å; G670-V672 VanDerWaalsContact O-N 3.12Å; V672-V676 PolarHBondContact O-N 3.3Å
673	K	90.4	Very high	89.3	Confident	105 Å²	105	43.9 Å²	43.9	46%	0.457	22%	0.215	S	C	.	.	H	α-helix	trans	-74.8	-32	175.9	-74.6	-70.1	-173.4	178.7	0	112.4	C660 H664 G670 L671 C675 V676 T677	C660-K673 HydrophobicContact CB-CB 4.16Å; H664-K673 WeakPolarHBondContact ND1-CB 3.35Å; G670-K673 WeakPolarHBondContact O-CB 3.46Å; G670-K673 PolarHBondContact O-N 3.06Å; L671-K673 VanDerWaalsContact C-N 3.26Å; L671-K673 PolarHBondContact O-N 3.26Å; K673-C675 VanDerWaalsContact C-N 3.33Å; K673-V676 PolarHBondContact O-N 2.87Å; K673-T677 PolarHBondContact O-N 3.37Å; K673-T677 VanDerWaalsContact O-N 3.13Å; K673-T677 PolarHBondContact O-OG1 3.18Å
674	V	92.4	Very high	89	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-40.6	173.1	-173.3	0	0	0	0	110.3	L582 L608 C660 H664 I665 G670 L671 V676 T677 V678	L582-V674 HydrophobicContact CD2-CB 4.3Å; L582-V674 HydrophobicContact CD2-CG1 4.23Å; L608-V674 HydrophobicContact CD1-CG1 4.26Å; L608-V674 HydrophobicContact CD2-CG1 4.28Å; C660-V674 HydrophobicContact CB-CG2 4.33Å; H664-V674 HydrophobicContact CB-CG2 4.29Å; I665-V674 HydrophobicContact CD1-CG2 4.36Å; I665-V674 HydrophobicContact CG1-CG1 4.34Å; I665-V674 HydrophobicContact CG1-CG2 3.51Å; G670-V674 PolarHBondContact O-N 2.97Å; L671-V674 CarbonylContact O-C 3.12Å; L671-V674 WeakPolarHBondContact O-CA 3.49Å; L671-V674 WeakPolarHBondContact O-CB 3.49Å; L671-V674 PolarHBondContact O-N 2.96Å; V674-V676 PolarHBondContact O-N 2.95Å; V674-T677 WeakPolarHBondContact O-CB 3.49Å; V674-T677 PolarHBondContact O-N 2.71Å; V674-V678 HydrophobicContact CG1-CG2 4.35Å; V674-V678 WeakPolarHBondContact O-CB 3.39Å; V674-V678 WeakPolarHBondContact O-CG2 3.1Å; V674-V678 PolarHBondContact O-N 3.1Å
675	C	92.4	Very high	88.1	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.027	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-48.9	174.2	-172	0	0	0	0	112	L578 L582 L671 K673 T677 V678 Q679	L578-C675 PolarHBondContact O-SG 2.82Å; L578-C675 VanDerWaalsContact O-SG 3.33Å; L582-C675 HydrophobicContact CB-CB 4.1Å; L582-C675 HydrophobicContact CD2-CB 4.18Å; L671-C675 PolarHBondContact O-N 3.08Å; K673-C675 VanDerWaalsContact C-N 3.33Å; C675-T677 VanDerWaalsContact C-N 3.28Å; C675-T677 PolarHBondContact O-N 2.81Å; C675-V678 PolarHBondContact O-N 3Å; C675-Q679 WeakPolarHBondContact O-CB 3.37Å; C675-Q679 PolarHBondContact O-N 3.5Å
676	V	92.4	Very high	87	Confident	59 Å²	59	46.2 Å²	46.2	36%	0.358	24%	0.244	S	C	.	.	H	α-helix	trans	-60	-37.9	177.1	173.7	0	0	0	0	112.1	K658 V672 K673 V674 A680	K658-V676 HydrophobicContact CB-CG1 4.09Å; K658-V676 HydrophobicContact CG-CG1 4.28Å; V672-V676 PolarHBondContact O-N 3.3Å; K673-V676 PolarHBondContact O-N 2.87Å; V674-V676 PolarHBondContact O-N 2.95Å; V676-A680 WeakPolarHBondContact O-CB 3.28Å; V676-A680 PolarHBondContact O-N 3.14Å
677	T	93.7	Very high	85.7	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-67.1	-45.9	174.7	-59.5	0	0	0	0	112.4	F645 K658 L659 C660 K673 V674 C675 A680 L681	F645-T677 HydrophobicContact CE1-CG2 4.42Å; F645-T677 HydrophobicContact CZ-CG2 4.42Å; K658-T677 WeakPolarHBondContact O-CA 3.42Å; K658-T677 PolarHBondContact O-N 2.62Å; K658-T677 PolarHBondContact O-OG1 3.23Å; L659-T677 WeakPolarHBondContact CA-OG1 3.38Å; L659-T677 HydrophobicContact CD2-CG2 4.03Å; C660-T677 PolarHBondContact N-OG1 3.34Å; K673-T677 PolarHBondContact O-N 3.37Å; K673-T677 VanDerWaalsContact O-N 3.13Å; K673-T677 PolarHBondContact O-OG1 3.18Å; V674-T677 WeakPolarHBondContact O-CB 3.49Å; V674-T677 PolarHBondContact O-N 2.71Å; C675-T677 VanDerWaalsContact C-N 3.28Å; C675-T677 PolarHBondContact O-N 2.81Å; T677-A680 PolarHBondContact O-N 3.21Å; T677-L681 WeakPolarHBondContact O-CB 3.44Å; T677-L681 PolarHBondContact O-N 3.45Å
678	V	92.8	Very high	84.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.7	-39.9	-178	164.2	0	0	0	0	111.6	L582 I585 L608 L611 F645 V674 C675 L681 V682	L582-V678 HydrophobicContact CD1-CB 3.7Å; L582-V678 HydrophobicContact CD1-CG1 3.66Å; L582-V678 HydrophobicContact CD1-CG2 3.89Å; I585-V678 HydrophobicContact CB-CG1 4.47Å; I585-V678 HydrophobicContact CG2-CG1 3.67Å; L608-V678 HydrophobicContact CD2-CG2 4.09Å; L611-V678 HydrophobicContact CD2-CG1 3.66Å; L611-V678 HydrophobicContact CD2-CG2 4.12Å; F645-V678 HydrophobicContact CZ-CG2 4.2Å; V674-V678 HydrophobicContact CG1-CG2 4.35Å; V674-V678 WeakPolarHBondContact O-CB 3.39Å; V674-V678 WeakPolarHBondContact O-CG2 3.1Å; V674-V678 PolarHBondContact O-N 3.1Å; C675-V678 PolarHBondContact O-N 3Å; V678-L681 WeakPolarHBondContact O-CB 3.4Å; V678-L681 PolarHBondContact O-N 3.45Å; V678-V682 WeakPolarHBondContact O-CG2 3.32Å; V678-V682 PolarHBondContact O-N 3.46Å; V678-V682 VanDerWaalsContact O-N 3.11Å
679	Q	92	Very high	82.2	Confident	71 Å²	71	49.9 Å²	49.9	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-51.1	172.5	-175.4	60.9	53	0	0	110.7	I585 C675 L681 V682 D683	I585-Q679 VanDerWaalsContact CD1-OE1 3.23Å; C675-Q679 WeakPolarHBondContact O-CB 3.37Å; C675-Q679 PolarHBondContact O-N 3.5Å; Q679-L681 PolarHBondContact O-N 3.17Å; Q679-V682 PolarHBondContact O-N 3.08Å; Q679-D683 PolarHBondContact NE2-OD1 2.94Å; Q679-D683 PolarHBondContact O-N 2.89Å
680	A	90.8	Very high	80.6	Confident	3 Å²	3	46.9 Å²	46.9	3%	0.025	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-28.7	178.4	0	0	0	0	0	113.5	V654 K658 V676 T677 E684	V654-A680 HydrophobicContact CG1-CB 3.92Å; K658-A680 HydrophobicContact CB-CB 4.19Å; K658-A680 HydrophobicContact CD-CB 3.69Å; V676-A680 WeakPolarHBondContact O-CB 3.28Å; V676-A680 PolarHBondContact O-N 3.14Å; T677-A680 PolarHBondContact O-N 3.21Å; A680-E684 WeakPolarHBondContact O-CB 3.46Å; A680-E684 PolarHBondContact O-N 3.08Å; A680-E684 VanDerWaalsContact O-N 3.15Å
681	L	90.6	Very high	78.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-35	174.1	-167.7	69.5	0	0	0	112.3	A612 I615 F645 C649 I652 V654 T677 V678 Q679 A685	A612-L681 HydrophobicContact CB-CD2 4.3Å; I615-L681 HydrophobicContact CD1-CB 4.34Å; I615-L681 HydrophobicContact CD1-CD2 3.77Å; I615-L681 HydrophobicContact CD1-CG 3.73Å; I615-L681 HydrophobicContact CG2-CG 4.42Å; F645-L681 HydrophobicContact CE2-CD2 3.97Å; F645-L681 HydrophobicContact CZ-CD2 4.47Å; C649-L681 HydrophobicContact CB-CD1 4.15Å; I652-L681 HydrophobicContact CB-CD1 3.89Å; I652-L681 HydrophobicContact CD1-CD1 3.73Å; I652-L681 HydrophobicContact CG1-CD1 4.4Å; I652-L681 HydrophobicContact CG2-CD1 3.7Å; V654-L681 HydrophobicContact CG2-CB 3.99Å; V654-L681 HydrophobicContact CG2-CD1 3.52Å; V654-L681 HydrophobicContact CG2-CG 4.4Å; T677-L681 WeakPolarHBondContact O-CB 3.44Å; T677-L681 PolarHBondContact O-N 3.45Å; V678-L681 WeakPolarHBondContact O-CB 3.4Å; V678-L681 PolarHBondContact O-N 3.45Å; Q679-L681 PolarHBondContact O-N 3.17Å; L681-A685 PolarHBondContact O-N 2.85Å
682	V	89	Confident	76.2	Confident	12 Å²	12	62 Å²	62	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-80.8	-34.3	176.5	175.1	0	0	0	0	111.9	I585 I615 V678 Q679 A685 S686	I585-V682 HydrophobicContact CG2-CG2 3.83Å; I615-V682 HydrophobicContact CD1-CG2 3.66Å; V678-V682 WeakPolarHBondContact O-CG2 3.32Å; V678-V682 PolarHBondContact O-N 3.46Å; V678-V682 VanDerWaalsContact O-N 3.11Å; Q679-V682 PolarHBondContact O-N 3.08Å; V682-A685 VanDerWaalsContact O-CB 3.3Å; V682-A685 WeakPolarHBondContact O-CB 3.43Å; V682-A685 PolarHBondContact O-N 3.37Å; V682-S686 PolarHBondContact O-N 3.2Å; V682-S686 PolarHBondContact O-OG 3.36Å
683	D	87.4	Confident	73.6	Confident	70 Å²	70	69.6 Å²	69.6	37%	0.374	40%	0.398	S	S	.	.	H	α-helix	trans	-60.3	-47	172.4	-61.1	-21.5	0	0	0	110.2	Q679 A685 S686 S687	Q679-D683 PolarHBondContact NE2-OD1 2.94Å; Q679-D683 PolarHBondContact O-N 2.89Å; D683-A685 PolarHBondContact O-N 3.25Å; D683-S686 CarbonylContact O-C 3.59Å; D683-S686 WeakPolarHBondContact O-CA 3.39Å; D683-S686 WeakPolarHBondContact O-CB 3.08Å; D683-S686 PolarHBondContact O-N 2.91Å; D683-S687 PolarHBondContact O-N 2.98Å
684	E	83.3	Confident	72.8	Confident	46 Å²	46	67.8 Å²	67.8	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-68.7	-15.9	176.3	-82.1	-67.3	103.5	0	0	114.6	I652 A680 S687 K688	I652-E684 HydrophobicContact CG2-CB 4.37Å; A680-E684 WeakPolarHBondContact O-CB 3.46Å; A680-E684 PolarHBondContact O-N 3.08Å; A680-E684 VanDerWaalsContact O-N 3.15Å; E684-S687 PolarHBondContact OE1-OG 2.87Å; E684-K688 IonicContact OE2-NZ 2.6Å; E684-K688 PolarHBondContact OE2-NZ 3.16Å
685	A	73.1	Confident	71.8	Confident	45 Å²	45	71.4 Å²	71.4	37%	0.372	42%	0.415	S	S	.	.	H	α-helix	trans	-78.7	-25.1	168.3	0	0	0	0	0	112.2	I615 L681 V682 D683	I615-A685 HydrophobicContact CG2-CB 3.71Å; L681-A685 PolarHBondContact O-N 2.85Å; V682-A685 VanDerWaalsContact O-CB 3.3Å; V682-A685 WeakPolarHBondContact O-CB 3.43Å; V682-A685 PolarHBondContact O-N 3.37Å; D683-A685 PolarHBondContact O-N 3.25Å
686	S	67.9	Low	70.6	Confident	87 Å²	87	75.1 Å²	75.1	61%	0.608	44%	0.437	S	S	*	.	H	α-helix	trans	-97.8	-19.6	-174.1	-50.1	0	0	0	0	112.6	V682 D683	V682-S686 PolarHBondContact O-N 3.2Å; V682-S686 PolarHBondContact O-OG 3.36Å; D683-S686 CarbonylContact O-C 3.59Å; D683-S686 WeakPolarHBondContact O-CA 3.39Å; D683-S686 WeakPolarHBondContact O-CB 3.08Å; D683-S686 PolarHBondContact O-N 2.91Å
687	S	62.9	Low	69.3	Low	70 Å²	70	76.1 Å²	76.1	49%	0.49	44%	0.442	S	S	.	.	S	Bend	trans	-82.3	-8.9	-177.2	68.4	0	0	0	0	115.1	D683 E684	D683-S687 PolarHBondContact O-N 2.98Å; E684-S687 PolarHBondContact OE1-OG 2.87Å
688	K	54.7	Low	67.8	Low	108 Å²	108	80.8 Å²	80.8	47%	0.47	47%	0.469	S	S	.	.	S	Bend	trans	-125.7	122.9	-174.6	-73.8	161.8	-178.8	142.3	0	111	E684	E684-K688 IonicContact OE2-NZ 2.6Å; E684-K688 PolarHBondContact OE2-NZ 3.16Å
689	P	41.9	Very low	66.2	Low	107 Å²	107	86.2 Å²	86.2	70%	0.695	50%	0.501	S	S	*	.			trans	-65.5	154.1	172.8	29.6	-34.8	0	0	0	110.4	L691	P689-L691 PolarHBondContact O-N 3.1Å; P689-L691 VanDerWaalsContact O-N 3.12Å
690	P	43	Very low	64.3	Low	122 Å²	122	87.3 Å²	87.3	79%	0.792	51%	0.513	S	S	*	.			trans	-62.9	116.3	177.2	26.3	-33.8	0	0	0	110.2	L692	P690-L692 PolarHBondContact O-N 2.56Å
691	L	41.3	Very low	62.3	Low	167 Å²	167	93.8 Å²	93.8	87%	0.874	55%	0.55	S	S	*	*			trans	-69	114.4	169.7	-77	168.4	0	0	0	108.7	P689 V693	P689-L691 PolarHBondContact O-N 3.1Å; P689-L691 VanDerWaalsContact O-N 3.12Å; L691-V693 PolarHBondContact O-N 3.22Å; L691-V693 VanDerWaalsContact O-N 3.17Å
692	L	38.8	Very low	59.9	Low	175 Å²	175	101.6 Å²	101.6	92%	0.916	60%	0.596	S	S	*	*			trans	-72	99.8	172.7	-71.7	167.8	0	0	0	110.1	P690	P690-L692 PolarHBondContact O-N 2.56Å
693	V	35.7	Very low	57.3	Low	210 Å²	210	109.7 Å²	109.7	100%	1.273	64%	0.644	S	S	*	*			trans	-143.7	0	160	-172.6	0	0	0	0	108.7	L691	L691-V693 PolarHBondContact O-N 3.22Å; L691-V693 VanDerWaalsContact O-N 3.17Å

Retrieved 693 of 693 residues in 146.7 ms (Link to these results)

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