A0A096NIY8_PAPAN Loading...

Matrix metallopeptidase 15

AlphaFold DB , UniProt , Accession A0A096NIY8, Species PAPAN (Papio anubis, Olive baboon), Gene MMP15, Length 669 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	39.9	Very low	39.1	Very low	250 Å²	250	147.2 Å²	147.2	100%	1.232	87%	0.872	S	S	*	*				0	116.2	0	-85.7	155.3	160.1	0	0	107.9
2	G	39	Very low	38.1	Very low	85 Å²	85	140.2 Å²	140.2	88%	0.876	85%	0.854	S	S	*	*			trans	60.4	85.9	171.1	0	0	0	0	0	118
3	S	35.1	Very low	37.6	Very low	119 Å²	119	145.8 Å²	145.8	83%	0.832	85%	0.85	S	S	*	*			trans	-83.8	139	-172.1	-171.8	0	0	0	0	115.1
4	N	40.1	Very low	37.3	Very low	147 Å²	147	143.9 Å²	143.9	79%	0.786	84%	0.842	S	S	*	*			trans	-51.1	150.1	157.6	-102.9	-19.7	0	0	0	113
5	R	37.9	Very low	36.7	Very low	247 Å²	247	139.9 Å²	139.9	93%	0.932	84%	0.843	S	S	*	*			trans	-172.4	148.3	132.6	-104.3	171.5	-167	-145.7	3.5	114.1
6	S	32.3	Very low	36.4	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	84%	0.837	S	S	*	*			trans	-103	174.9	-167.1	-22.5	0	0	0	0	112.7
7	A	36.9	Very low	36	Very low	99 Å²	99	138.2 Å²	138.2	82%	0.818	83%	0.832	S	S	*	*			trans	102.2	154.2	152.6	0	0	0	0	0	119.9
8	P	58.8	Low	35.7	Very low	135 Å²	135	139.3 Å²	139.3	88%	0.877	83%	0.832	S	S	*	*			trans	-133.6	-171.9	-132.9	39.9	-19.1	0	0	0	116.4
9	G	28.1	Very low	35.2	Very low	79 Å²	79	135.7 Å²	135.7	81%	0.814	83%	0.827	S	S	*	*			trans	-160.9	121.8	166.6	0	0	0	0	0	115.2
10	R	33	Very low	34.9	Very low	222 Å²	222	136.1 Å²	136.1	84%	0.838	82%	0.824	S	S	*	*			trans	-88.4	-168.5	175.1	-76.2	-178	169	-167	-2.3	111.7
11	P	49.3	Very low	34.7	Very low	120 Å²	120	140 Å²	140	78%	0.779	82%	0.824	S	S	*	*			cis	-131.4	-174.1	-3.5	27.5	-1.2	0	0	0	113.4
12	G	27.2	Very low	34.1	Very low	63 Å²	63	137 Å²	137	65%	0.649	81%	0.807	S	S	*	*			cis	-163	142	32.6	0	0	0	0	0	111.8
13	W	31.8	Very low	33.7	Very low	214 Å²	214	142.6 Å²	142.6	81%	0.811	81%	0.81	S	S	*	*				58.5	132.8	89.6	-74.3	63.9	0	0	0	114.3
14	T	32.6	Very low	33.4	Very low	119 Å²	119	141.4 Å²	141.4	73%	0.73	81%	0.808	S	S	*	*			cis	178.4	155.7	-9.3	27.3	0	0	0	0	104.9
15	G	28.5	Very low	33.1	Very low	84 Å²	84	139 Å²	139	87%	0.866	81%	0.808	S	S	*	*			trans	147.4	103.3	150.4	0	0	0	0	0	115.9
16	S	31.3	Very low	33	Very low	106 Å²	106	138.8 Å²	138.8	74%	0.741	81%	0.807	S	S	*	*			trans	-110.4	150.6	166.2	174.2	0	0	0	0	108.6
17	L	30.5	Very low	33.2	Very low	144 Å²	144	138.5 Å²	138.5	75%	0.754	80%	0.803	S	S	*	*			trans	145.1	129.5	131.5	-77.1	162.2	0	0	0	114.9
18	L	29.7	Very low	33.6	Very low	159 Å²	159	145.2 Å²	145.2	83%	0.832	81%	0.807	S	S	*	*			trans	61.3	111.9	138.1	-63.9	163.9	0	0	0	119.8
19	G	26.8	Very low	32.7	Very low	71 Å²	71	144.6 Å²	144.6	73%	0.732	80%	0.796	S	S	*	*				102.1	141.4	103.9	0	0	0	0	0	109.1
20	D	29.5	Very low	33.4	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	79%	0.792	S	S	*	*			cis	-176.7	152	24.5	-130.3	9.5	0	0	0	108.6
21	W	30	Very low	34	Very low	218 Å²	218	141.3 Å²	141.3	83%	0.826	78%	0.78	S	S	*	*			trans	36.1	126.8	160.9	-44.5	77.7	0	0	0	125.1
22	E	28	Very low	33.5	Very low	187 Å²	187	141.4 Å²	141.4	87%	0.874	77%	0.773	S	S	*	*				147.2	109.1	115.2	-83.7	-168.1	123.9	0	0	111.9
23	E	30.4	Very low	34	Very low	204 Å²	204	143.4 Å²	143.4	95%	0.953	77%	0.769	S	S	*	*				171.8	143.8	124.1	-90.8	-137.8	149.1	0	0	111.5
24	A	29.7	Very low	34.5	Very low	94 Å²	94	139.5 Å²	139.5	78%	0.777	76%	0.763	S	S	*	*			trans	-97.7	166.9	-156.5	0	0	0	0	0	114.3
25	A	32.8	Very low	35.2	Very low	96 Å²	96	138.7 Å²	138.7	79%	0.793	76%	0.758	S	S	*	*			trans	68.1	95.1	150.2	0	0	0	0	0	119.1
26	R	35.1	Very low	35.5	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	74%	0.743	S	S	*	*			trans	-136.8	137.7	143.6	-69.4	-168	179.9	-163.6	0.3	111.1
27	P	38	Very low	35.7	Very low	111 Å²	111	140.5 Å²	140.5	72%	0.721	74%	0.738	S	S	*	*			trans	-79.4	136.5	-167.1	31.3	-33.4	0	0	0	112.5	L29	P27-L29 PolarHBondContact O-N 3.5Å; P27-L29 VanDerWaalsContact O-N 3.12Å
28	R	43.8	Very low	36	Very low	239 Å²	239	136.4 Å²	136.4	90%	0.902	73%	0.731	S	S	*	*			trans	-71.3	92	168.4	-68.5	-179.7	171.5	-177.7	-2.5	109.6
29	L	40.2	Very low	36.4	Very low	123 Å²	123	133.9 Å²	133.9	64%	0.644	73%	0.725	S	S	*	*			trans	-127.1	1.1	172.6	-80.1	171.5	0	0	0	114.7	P27	P27-L29 PolarHBondContact O-N 3.5Å; P27-L29 VanDerWaalsContact O-N 3.12Å
30	L	43.9	Very low	36.7	Very low	139 Å²	139	137 Å²	137	73%	0.728	72%	0.724	S	S	*	*	H	α-helix	trans	-86.7	-25.2	179	-91.1	116.9	0	0	0	117.2
31	P	44.7	Very low	36.9	Very low	92 Å²	92	133.3 Å²	133.3	60%	0.597	72%	0.72	S	S	*	*	H	α-helix	trans	-84.5	-15	178.7	30.7	-29.7	0	0	0	113.5
32	L	39	Very low	37.2	Very low	122 Å²	122	130.1 Å²	130.1	64%	0.639	72%	0.718	S	S	*	*	H	α-helix	trans	-83.4	-27.8	175.9	-139.8	91.9	0	0	0	112.4	V35 L36	L32-V35 PolarHBondContact O-N 3.22Å; L32-L36 HydrophobicContact CD2-CD1 4.28Å; L32-L36 PolarHBondContact O-N 2.98Å; L32-L36 VanDerWaalsContact O-N 3.11Å
33	L	38	Very low	37.4	Very low	106 Å²	106	124 Å²	124	56%	0.555	71%	0.706	S	S	*	*	H	α-helix	trans	-72.4	-31	179.1	-158.7	81.8	0	0	0	112	L37	L33-L37 HydrophobicContact CD2-CD1 4.4Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 WeakPolarHBondContact O-CD1 3.28Å; L33-L37 PolarHBondContact O-N 3.16Å
34	L	43	Very low	37.4	Very low	132 Å²	132	120.8 Å²	120.8	69%	0.691	70%	0.699	S	S	*	*	H	α-helix	trans	-76.8	-26.5	176.3	-94.6	149.5	0	0	0	113.3	G38	L34-G38 PolarHBondContact O-N 3.1Å
35	V	45.5	Very low	37.5	Very low	102 Å²	102	120.2 Å²	120.2	62%	0.618	70%	0.695	S	S	*	*	H	α-helix	trans	-79.2	-31.9	172.1	177.7	0	0	0	0	111	L32 G38 C39	L32-V35 PolarHBondContact O-N 3.22Å; V35-G38 PolarHBondContact O-N 3.02Å; V35-C39 PolarHBondContact O-N 3.4Å
36	L	35.5	Very low	37.5	Very low	105 Å²	105	119.8 Å²	119.8	55%	0.55	69%	0.691	S	S	.	*	H	α-helix	trans	-78.5	-26.7	174	-80.4	159.6	0	0	0	113.8	L32 G38	L32-L36 HydrophobicContact CD2-CD1 4.28Å; L32-L36 PolarHBondContact O-N 2.98Å; L32-L36 VanDerWaalsContact O-N 3.11Å; L36-G38 VanDerWaalsContact C-N 3.35Å
37	L	36.3	Very low	37.4	Very low	122 Å²	122	117 Å²	117	64%	0.639	69%	0.689	S	S	*	*	H	α-helix	trans	-76.6	-19.3	167.9	-96.6	98.4	0	0	0	113.3	L33	L33-L37 HydrophobicContact CD2-CD1 4.4Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 WeakPolarHBondContact O-CB 3.45Å; L33-L37 WeakPolarHBondContact O-CD1 3.28Å; L33-L37 PolarHBondContact O-N 3.16Å
38	G	37.2	Very low	37.5	Very low	58 Å²	58	118 Å²	118	60%	0.598	69%	0.688	S	S	*	*	H	α-helix	trans	-75.8	-22.9	171.7	0	0	0	0	0	114.2	L34 V35 L36	L34-G38 PolarHBondContact O-N 3.1Å; V35-G38 PolarHBondContact O-N 3.02Å; L36-G38 VanDerWaalsContact C-N 3.35Å
39	C	36.9	Very low	37.7	Very low	106 Å²	106	110.4 Å²	110.4	72%	0.716	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	2.1	177.6	-64.7	0	0	0	0	113.8	V35	V35-C39 PolarHBondContact O-N 3.4Å
40	L	34.2	Very low	38.6	Very low	137 Å²	137	112.4 Å²	112.4	72%	0.717	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	31.2	167.4	-75.3	166.2	0	0	0	111	L42	L40-L42 PolarHBondContact O-N 3.02Å
41	G	33.7	Very low	39.7	Very low	64 Å²	64	107.2 Å²	107.2	66%	0.66	66%	0.656	S	S	*	*			trans	-59	86.6	148.7	0	0	0	0	0	107.2	G43	G41-G43 PolarHBondContact O-N 3.05Å
42	L	36.1	Very low	41.4	Very low	151 Å²	151	109 Å²	109	79%	0.791	66%	0.656	S	S	*	*			trans	-48.4	94.7	145.6	-83.8	148.1	0	0	0	104.3	L40 V44	L40-L42 PolarHBondContact O-N 3.02Å; L42-V44 PolarHBondContact O-N 3.09Å
43	G	30.7	Very low	43.5	Very low	60 Å²	60	103.7 Å²	103.7	62%	0.619	63%	0.63	S	S	*	*			trans	-45.7	113.4	142.2	0	0	0	0	0	103.5	G41 A45	G41-G43 PolarHBondContact O-N 3.05Å; G43-A45 PolarHBondContact O-N 3.07Å
44	V	31.5	Very low	45.7	Very low	135 Å²	135	102.9 Å²	102.9	82%	0.818	62%	0.623	S	S	*	*			trans	-62.5	79.2	155	-178.4	0	0	0	0	103	L42 A46	L42-V44 PolarHBondContact O-N 3.09Å; V44-A46 VanDerWaalsContact C-N 3.28Å; V44-A46 PolarHBondContact O-N 3.27Å
45	A	31.7	Very low	47.6	Very low	83 Å²	83	100.9 Å²	100.9	69%	0.686	61%	0.613	S	S	*	*			trans	-49.8	113.5	147.3	0	0	0	0	0	102.1	G43 E47	G43-A45 PolarHBondContact O-N 3.07Å; A45-E47 PolarHBondContact O-N 3.23Å
46	A	33.3	Very low	49.6	Very low	86 Å²	86	97.3 Å²	97.3	71%	0.711	59%	0.589	S	S	*	*			trans	-42	112.4	172	0	0	0	0	0	106	V44 D48	V44-A46 VanDerWaalsContact C-N 3.28Å; V44-A46 PolarHBondContact O-N 3.27Å; A46-D48 PolarHBondContact O-N 3.38Å
47	E	33.3	Very low	52	Low	185 Å²	185	92.3 Å²	92.3	86%	0.864	56%	0.562	S	S	*	*			trans	-51.5	120.7	168.2	-81.2	-177.8	132.8	0	0	104.5	A45 A49	A45-E47 PolarHBondContact O-N 3.23Å; E47-A49 VanDerWaalsContact C-N 3.27Å; E47-A49 PolarHBondContact O-N 2.81Å
48	D	39.4	Very low	54.2	Low	131 Å²	131	90 Å²	90	70%	0.701	55%	0.546	S	S	*	.			trans	-51.6	100.2	172	-92.9	-55.8	0	0	0	106.7	A46 E50 K107	A46-D48 PolarHBondContact O-N 3.38Å; D48-E50 PolarHBondContact O-N 3.25Å; D48-K107 IonicContact OD1-NZ 3.27Å; D48-K107 PolarHBondContact OD1-NZ 2.85Å
49	A	47.3	Very low	56.3	Low	80 Å²	80	91.8 Å²	91.8	66%	0.661	54%	0.54	S	S	*	.			trans	-56.5	108.3	173.3	0	0	0	0	0	105.7	E47 V51	E47-A49 VanDerWaalsContact C-N 3.27Å; E47-A49 PolarHBondContact O-N 2.81Å; A49-V51 PolarHBondContact O-N 2.79Å
50	E	59.2	Low	58.7	Low	164 Å²	164	87 Å²	87	77%	0.766	51%	0.507	S	S	*	.			trans	-59.3	113.1	-178.4	-169.9	173.9	-175.8	0	0	106.9	D48 H52	D48-E50 PolarHBondContact O-N 3.25Å; E50-H52 PolarHBondContact O-N 2.86Å; E50-H52 PolarHBondContact O-ND1 2.87Å
51	V	66.8	Low	60.9	Low	30 Å²	30	81.3 Å²	81.3	18%	0.182	48%	0.482	C	S	.	.			trans	-63.2	109.3	-177	176.8	0	0	0	0	107.4	A49 A53 M106 K107	A49-V51 PolarHBondContact O-N 2.79Å; V51-A53 PolarHBondContact O-N 2.8Å; V51-M106 HydrophobicContact CG1-CB 3.81Å; V51-M106 HydrophobicContact CG1-CG 4.45Å; V51-M106 HydrophobicContact CG1-SD 3.8Å; V51-K107 HydrophobicContact CG2-CD 4.17Å; V51-K107 HydrophobicContact CG2-CG 3.54Å
52	H	81.4	Confident	63.3	Low	130 Å²	130	79 Å²	79	60%	0.602	45%	0.454	S	S	*	.			trans	-74	78.1	174.9	-73.1	65.9	0	0	0	108.9	E50 E54 N55 W56	E50-H52 PolarHBondContact O-N 2.86Å; E50-H52 PolarHBondContact O-ND1 2.87Å; H52-E54 PolarHBondContact O-N 2.92Å; H52-E54 VanDerWaalsContact O-N 3.11Å; H52-N55 HydrophobicContact CB-CB 4.21Å; H52-N55 PolarHBondContact O-N 3.11Å; H52-W56 PolarHBondContact O-N 3.1Å
53	A	83.6	Confident	65.4	Low	10 Å²	10	72.6 Å²	72.6	8%	0.083	42%	0.421	C	S	.	.	H	α-helix	trans	-54.9	-34.2	-170.8	0	0	0	0	0	113.4	V51 W56 L57 L98 M106	V51-A53 PolarHBondContact O-N 2.8Å; A53-W56 PolarHBondContact O-N 3.06Å; A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.27Å; A53-L57 WeakPolarHBondContact O-CD1 3.35Å; A53-L57 WeakPolarHBondContact O-CG 3.28Å; A53-L57 PolarHBondContact O-N 3.39Å; A53-L98 HydrophobicContact CB-CD1 3.89Å; A53-L98 HydrophobicContact CB-CD2 3.67Å; A53-L98 HydrophobicContact CB-CG 4.4Å; A53-M106 HydrophobicContact CB-CE 4.4Å; A53-M106 HydrophobicContact CB-SD 4.11Å
54	E	83.2	Confident	67.3	Low	90 Å²	90	72.7 Å²	72.7	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.7	-68.5	-165.9	-173.6	0	0	112.9	H52 R58 L79	H52-E54 PolarHBondContact O-N 2.92Å; H52-E54 VanDerWaalsContact O-N 3.11Å; E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.07Å; E54-R58 IonicContact OE2-CZ 2.68Å; E54-R58 IonicContact OE2-NH2 3.43Å; E54-R58 PolarHBondContact OE2-NH2 2.94Å; E54-L79 HydrophobicContact CG-CD1 4.14Å
55	N	82.9	Confident	68.9	Low	89 Å²	89	73.8 Å²	73.8	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-68.6	-41.7	179.8	-71.3	-13.5	0	0	0	110.2	H52 R58 L59	H52-N55 HydrophobicContact CB-CB 4.21Å; H52-N55 PolarHBondContact O-N 3.11Å; N55-R58 PolarHBondContact O-N 3.3Å; N55-L59 WeakPolarHBondContact O-CB 3.44Å; N55-L59 PolarHBondContact O-N 3.41Å
56	W	87.2	Confident	70	Confident	27 Å²	27	74 Å²	74	10%	0.102	40%	0.401	C	S	.	.	H	α-helix	trans	-58.2	-50	175.1	-167.7	103.8	0	0	0	111.2	H52 A53 R58 L59 Y60 Y62 M86 Y90 M106 R110 F280	H52-W56 PolarHBondContact O-N 3.1Å; A53-W56 PolarHBondContact O-N 3.06Å; W56-R58 VanDerWaalsContact C-N 3.3Å; W56-R58 PolarHBondContact O-N 2.8Å; W56-L59 WeakPolarHBondContact O-CB 3.24Å; W56-L59 PolarHBondContact O-N 3.24Å; W56-Y60 AromaticContact CD1-CE2 3.83Å; W56-Y60 AromaticContact CD2-CD2 3.5Å; W56-Y60 HydrophobicContact CD2-CD2 3.5Å; W56-Y60 AromaticContact CD2-CE2 3.7Å; W56-Y60 HydrophobicContact CD2-CE2 3.7Å; W56-Y60 AromaticContact CE2-CD2 3.51Å; W56-Y60 AromaticContact CE2-CE2 3.37Å; W56-Y60 AromaticContact CE3-CD2 3.69Å; W56-Y60 HydrophobicContact CE3-CD2 3.69Å; W56-Y60 HydrophobicContact CE3-CE2 4.35Å; W56-Y60 HydrophobicContact CG-CD2 4.09Å; W56-Y60 AromaticContact CG-CE2 3.97Å; W56-Y60 HydrophobicContact CG-CE2 3.97Å; W56-Y60 AromaticContact CH2-CD2 3.85Å; W56-Y60 HydrophobicContact CH2-CD2 3.85Å; W56-Y60 HydrophobicContact CH2-CE2 4.38Å; W56-Y60 AromaticContact CZ2-CD2 3.71Å; W56-Y60 HydrophobicContact CZ2-CD2 3.71Å; W56-Y60 AromaticContact CZ2-CE2 3.77Å; W56-Y60 HydrophobicContact CZ2-CE2 3.77Å; W56-Y60 AromaticContact CZ3-CD2 3.84Å; W56-Y60 HydrophobicContact CZ3-CD2 3.84Å; W56-Y60 AromaticContact NE1-CE2 3.51Å; W56-Y60 WeakPolarHBondContact O-CD2 3.4Å; W56-Y60 PolarHBondContact O-N 3Å; W56-Y60 VanDerWaalsContact O-N 3.13Å; W56-Y62 HydrophobicContact CZ3-CD2 4.32Å; W56-Y62 HydrophobicContact CZ3-CE2 4.18Å; W56-M86 HydrophobicContact CH2-CE 3.9Å; W56-M86 HydrophobicContact CH2-CG 4.21Å; W56-M86 HydrophobicContact CZ3-CE 4.19Å; W56-M86 HydrophobicContact CZ3-CG 3.91Å; W56-M86 HydrophobicContact CZ3-SD 4.28Å; W56-Y90 AromaticContact CH2-CE2 3.89Å; W56-Y90 HydrophobicContact CH2-CE2 3.89Å; W56-Y90 VanDerWaalsContact CH2-OH 3.31Å; W56-Y90 WeakPolarHBondContact CH2-OH 3.37Å; W56-M106 HydrophobicContact CD2-CB 4.36Å; W56-M106 HydrophobicContact CD2-CE 4.35Å; W56-M106 HydrophobicContact CD2-CG 3.91Å; W56-M106 HydrophobicContact CD2-SD 4.19Å; W56-M106 HydrophobicContact CE3-CE 3.87Å; W56-M106 HydrophobicContact CE3-CG 4.21Å; W56-M106 HydrophobicContact CE3-SD 4.32Å; W56-M106 HydrophobicContact CG-CG 4.37Å; W56-M106 HydrophobicContact CG-SD 4.34Å; W56-M106 HydrophobicContact CH2-CG 4.4Å; W56-M106 HydrophobicContact CZ2-CB 4.42Å; W56-M106 HydrophobicContact CZ2-CG 4.09Å; W56-M106 HydrophobicContact CZ3-CE 4.22Å; W56-M106 HydrophobicContact CZ3-CG 4.47Å; W56-M106 PolarHBondContact NE1-O 3.01Å; W56-R110 VanDerWaalsContact CZ2-NH1 3.27Å; W56-F280 HydrophobicContact CH2-CZ 4.48Å; W56-F280 HydrophobicContact CZ2-CZ 4.23Å
57	L	87.3	Confident	70.9	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-65.8	-31.5	179.7	-71.8	167.7	0	0	0	112.6	A53 G61 Y62 L63 L79 A82 L83 M86 M106	A53-L57 VanDerWaalsContact O-CB 3.31Å; A53-L57 WeakPolarHBondContact O-CB 3.27Å; A53-L57 WeakPolarHBondContact O-CD1 3.35Å; A53-L57 WeakPolarHBondContact O-CG 3.28Å; A53-L57 PolarHBondContact O-N 3.39Å; L57-G61 PolarHBondContact O-N 3.16Å; L57-Y62 HydrophobicContact CD2-CD2 3.96Å; L57-Y62 HydrophobicContact CD2-CG 4.01Å; L57-Y62 WeakPolarHBondContact O-CA 3.4Å; L57-Y62 PolarHBondContact O-N 2.77Å; L57-L63 HydrophobicContact CB-CB 4.3Å; L57-L63 HydrophobicContact CB-CD1 3.6Å; L57-L63 HydrophobicContact CB-CG 3.76Å; L57-L63 HydrophobicContact CD1-CD1 3.98Å; L57-L63 HydrophobicContact CD1-CG 4.41Å; L57-L63 HydrophobicContact CG-CD1 4.47Å; L57-L63 PolarHBondContact O-N 3.46Å; L57-L63 VanDerWaalsContact O-N 3.1Å; L57-L79 HydrophobicContact CD1-CD1 3.52Å; L57-A82 HydrophobicContact CD1-CB 4.2Å; L57-L83 HydrophobicContact CD1-CD2 3.88Å; L57-L83 HydrophobicContact CD1-CG 3.95Å; L57-L83 HydrophobicContact CD2-CD2 4.48Å; L57-M86 HydrophobicContact CD2-CB 4.04Å; L57-M86 HydrophobicContact CD2-CG 4.38Å; L57-M106 HydrophobicContact CD2-CE 4.16Å; L57-M106 HydrophobicContact CG-CE 4.23Å
58	R	82.2	Confident	71.8	Confident	75 Å²	75	76.2 Å²	76.2	28%	0.283	39%	0.393	S	S	.	.	H	α-helix	trans	-68.9	-45.2	172.3	-75.2	176.8	-170.1	140.6	16	111.5	E54 N55 W56 Y60 G61 L63	E54-R58 VanDerWaalsContact O-CG 3.3Å; E54-R58 WeakPolarHBondContact O-CG 3.42Å; E54-R58 PolarHBondContact O-N 3.07Å; E54-R58 IonicContact OE2-CZ 2.68Å; E54-R58 IonicContact OE2-NH2 3.43Å; E54-R58 PolarHBondContact OE2-NH2 2.94Å; N55-R58 PolarHBondContact O-N 3.3Å; W56-R58 VanDerWaalsContact C-N 3.3Å; W56-R58 PolarHBondContact O-N 2.8Å; R58-Y60 VanDerWaalsContact C-N 3.25Å; R58-Y60 PolarHBondContact O-N 2.75Å; R58-G61 PolarHBondContact O-N 2.78Å; R58-L63 HydrophobicContact CB-CB 4.46Å; R58-L63 HydrophobicContact CG-CB 3.59Å; R58-L63 HydrophobicContact CG-CD1 4.45Å
59	L	81.4	Confident	72.3	Confident	94 Å²	94	78.4 Å²	78.4	49%	0.492	40%	0.399	S	S	.	.	H	α-helix	trans	-56.4	-43.1	-179.6	-175.2	64.4	0	0	0	111	N55 W56	N55-L59 WeakPolarHBondContact O-CB 3.44Å; N55-L59 PolarHBondContact O-N 3.41Å; W56-L59 WeakPolarHBondContact O-CB 3.24Å; W56-L59 PolarHBondContact O-N 3.24Å
60	Y	86.3	Confident	72.6	Confident	5 Å²	5	78.5 Å²	78.5	2%	0.02	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	8.2	-177.6	-58.7	-64.1	0	0	0	115.2	W56 R58 R110 D115 Q116	W56-Y60 AromaticContact CD1-CE2 3.83Å; W56-Y60 AromaticContact CD2-CD2 3.5Å; W56-Y60 HydrophobicContact CD2-CD2 3.5Å; W56-Y60 AromaticContact CD2-CE2 3.7Å; W56-Y60 HydrophobicContact CD2-CE2 3.7Å; W56-Y60 AromaticContact CE2-CD2 3.51Å; W56-Y60 AromaticContact CE2-CE2 3.37Å; W56-Y60 AromaticContact CE3-CD2 3.69Å; W56-Y60 HydrophobicContact CE3-CD2 3.69Å; W56-Y60 HydrophobicContact CE3-CE2 4.35Å; W56-Y60 HydrophobicContact CG-CD2 4.09Å; W56-Y60 AromaticContact CG-CE2 3.97Å; W56-Y60 HydrophobicContact CG-CE2 3.97Å; W56-Y60 AromaticContact CH2-CD2 3.85Å; W56-Y60 HydrophobicContact CH2-CD2 3.85Å; W56-Y60 HydrophobicContact CH2-CE2 4.38Å; W56-Y60 AromaticContact CZ2-CD2 3.71Å; W56-Y60 HydrophobicContact CZ2-CD2 3.71Å; W56-Y60 AromaticContact CZ2-CE2 3.77Å; W56-Y60 HydrophobicContact CZ2-CE2 3.77Å; W56-Y60 AromaticContact CZ3-CD2 3.84Å; W56-Y60 HydrophobicContact CZ3-CD2 3.84Å; W56-Y60 AromaticContact NE1-CE2 3.51Å; W56-Y60 WeakPolarHBondContact O-CD2 3.4Å; W56-Y60 PolarHBondContact O-N 3Å; W56-Y60 VanDerWaalsContact O-N 3.13Å; R58-Y60 VanDerWaalsContact C-N 3.25Å; R58-Y60 PolarHBondContact O-N 2.75Å; Y60-R110 VanDerWaalsContact CD1-NH1 3.3Å; Y60-R110 VanDerWaalsContact CG-CZ 3.46Å; Y60-R110 VanDerWaalsContact CZ-CD 3.42Å; Y60-R110 VanDerWaalsContact CZ-NE 3.27Å; Y60-R110 WeakPolarHBondContact OH-CD 3.43Å; Y60-D115 PolarHBondContact O-N 2.89Å; Y60-Q116 PolarHBondContact O-N 3.2Å
61	G	81.6	Confident	72.3	Confident	19 Å²	19	74.6 Å²	74.6	20%	0.196	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	8.7	168.6	0	0	0	0	0	116.4	L57 R58	L57-G61 PolarHBondContact O-N 3.16Å; R58-G61 PolarHBondContact O-N 2.78Å
62	Y	82.7	Confident	71.7	Confident	14 Å²	14	78.9 Å²	78.9	6%	0.055	40%	0.404	C	S	.	.	S	Bend	trans	-80.4	-25.5	176.3	-62.5	-81.7	0	0	0	113.2	W56 L57 E85 M86 Y90 D115 Q116	W56-Y62 HydrophobicContact CZ3-CD2 4.32Å; W56-Y62 HydrophobicContact CZ3-CE2 4.18Å; L57-Y62 HydrophobicContact CD2-CD2 3.96Å; L57-Y62 HydrophobicContact CD2-CG 4.01Å; L57-Y62 WeakPolarHBondContact O-CA 3.4Å; L57-Y62 PolarHBondContact O-N 2.77Å; Y62-E85 HydrophobicContact CD1-CB 4.31Å; Y62-E85 HydrophobicContact CD1-CG 4.29Å; Y62-E85 HydrophobicContact CE1-CG 4.36Å; Y62-M86 HydrophobicContact CD1-CB 4.02Å; Y62-M86 HydrophobicContact CD2-CB 4.31Å; Y62-M86 HydrophobicContact CE1-CB 3.81Å; Y62-M86 HydrophobicContact CE2-CB 4.13Å; Y62-M86 HydrophobicContact CE2-CG 4.27Å; Y62-M86 HydrophobicContact CG-CB 4.26Å; Y62-Y90 PolarHBondContact OH-OH 3.31Å; Y62-D115 HydrophobicContact CE2-CB 4.2Å; Y62-D115 WeakPolarHBondContact CE2-OD2 3.49Å; Y62-D115 WeakPolarHBondContact OH-CB 3.22Å; Y62-D115 PolarHBondContact OH-OD2 2.82Å; Y62-Q116 HydrophobicContact CD1-CG 4.34Å; Y62-Q116 HydrophobicContact CE1-CG 4.22Å
63	L	81.3	Confident	70.1	Confident	18 Å²	18	80.2 Å²	80.2	9%	0.094	41%	0.412	C	S	.	.	S	Bend	trans	-116.8	135.8	177.1	-75.7	176.6	0	0	0	111.9	L57 R58 I78 L79 A82	L57-L63 HydrophobicContact CB-CB 4.3Å; L57-L63 HydrophobicContact CB-CD1 3.6Å; L57-L63 HydrophobicContact CB-CG 3.76Å; L57-L63 HydrophobicContact CD1-CD1 3.98Å; L57-L63 HydrophobicContact CD1-CG 4.41Å; L57-L63 HydrophobicContact CG-CD1 4.47Å; L57-L63 PolarHBondContact O-N 3.46Å; L57-L63 VanDerWaalsContact O-N 3.1Å; R58-L63 HydrophobicContact CB-CB 4.46Å; R58-L63 HydrophobicContact CG-CB 3.59Å; R58-L63 HydrophobicContact CG-CD1 4.45Å; L63-I78 HydrophobicContact CD2-CG2 3.5Å; L63-I78 VanDerWaalsContact CD2-CG2 3.5Å; L63-L79 HydrophobicContact CD1-CD1 3.95Å; L63-A82 HydrophobicContact CD2-CB 3.61Å; L63-A82 HydrophobicContact CG-CB 3.84Å
64	P	70.1	Confident	69	Low	61 Å²	61	87.5 Å²	87.5	40%	0.396	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-69.3	156.8	172.6	29.9	-33.7	0	0	0	111.5
65	Q	64.3	Low	68.3	Low	159 Å²	159	85.8 Å²	85.8	74%	0.743	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-55.3	142.4	173.1	-70.5	-77.1	-11.8	0	0	110.8	S67	Q65-S67 PolarHBondContact O-N 3.02Å; Q65-S67 VanDerWaalsContact O-N 3.1Å
66	P	55.1	Low	67.9	Low	88 Å²	88	84.4 Å²	84.4	57%	0.571	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-60.8	116.9	-174.9	22.7	-31.2	0	0	0	110.8
67	S	53.5	Low	67.5	Low	69 Å²	69	90 Å²	90	48%	0.483	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-93.3	136.4	168.9	63.5	0	0	0	0	109.3	Q65 H69 M70	Q65-S67 PolarHBondContact O-N 3.02Å; Q65-S67 VanDerWaalsContact O-N 3.1Å; S67-H69 PolarHBondContact O-N 3.27Å; S67-M70 VanDerWaalsContact OG-CG 3.32Å; S67-M70 WeakPolarHBondContact OG-CG 3.28Å
68	R	50.9	Low	67.2	Low	247 Å²	247	92.3 Å²	92.3	93%	0.932	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	8.6	-176.1	-63.5	175.8	102.6	168.2	4.7	114.5
69	H	50.9	Low	67.3	Low	178 Å²	178	90.9 Å²	90.9	82%	0.824	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	15.2	-171.7	-68.3	-60	0	0	0	115.1	S67	S67-H69 PolarHBondContact O-N 3.27Å
70	M	53.5	Low	67.6	Low	81 Å²	81	88.3 Å²	88.3	40%	0.399	47%	0.466	S	S	.	.			trans	-90.8	122.3	178.7	-59.6	-143.4	72.3	0	0	112.7	S67 R74 I78	S67-M70 VanDerWaalsContact OG-CG 3.32Å; S67-M70 WeakPolarHBondContact OG-CG 3.28Å; M70-R74 HydrophobicContact CE-CB 4.31Å; M70-R74 HydrophobicContact CE-CG 4.47Å; M70-I78 HydrophobicContact CE-CD1 3.12Å; M70-I78 HydrophobicContact SD-CD1 3.91Å
71	S	52.4	Low	67.6	Low	83 Å²	83	91.3 Å²	91.3	58%	0.58	49%	0.487	S	S	*	.			trans	-64.3	145.4	169.9	-54.4	0	0	0	0	111.9	M73 R74 S75	S71-M73 VanDerWaalsContact C-N 3.35Å; S71-M73 PolarHBondContact O-N 3.35Å; S71-R74 WeakPolarHBondContact O-CA 3.16Å; S71-R74 WeakPolarHBondContact O-CB 3.38Å; S71-R74 PolarHBondContact O-N 3.02Å; S71-S75 PolarHBondContact O-N 3.27Å; S71-S75 VanDerWaalsContact O-N 3.1Å
72	T	54.7	Low	67.8	Low	119 Å²	119	90.4 Å²	90.4	73%	0.73	48%	0.478	S	S	*	.	H	α-helix	trans	-60	-32.6	-177.1	51.9	0	0	0	0	115	S75 A76	T72-S75 WeakPolarHBondContact CA-OG 3.03Å; T72-S75 PolarHBondContact O-N 3.16Å; T72-S75 PolarHBondContact O-OG 2.65Å; T72-A76 PolarHBondContact O-N 2.97Å
73	M	47.2	Very low	68.2	Low	158 Å²	158	90 Å²	90	78%	0.778	48%	0.477	S	S	*	.	H	α-helix	trans	-71.6	-32.1	174	-72.1	-171.6	-174.7	0	0	112.5	S71 Q77	S71-M73 VanDerWaalsContact C-N 3.35Å; S71-M73 PolarHBondContact O-N 3.35Å; M73-Q77 PolarHBondContact O-N 3.47Å
74	R	60.3	Low	68.4	Low	164 Å²	164	90.3 Å²	90.3	62%	0.619	48%	0.482	S	S	*	.	H	α-helix	trans	-71.3	-34.7	175.8	-126.3	175.7	-174.7	169.7	1.5	110.4	M70 S71 I78	M70-R74 HydrophobicContact CE-CB 4.31Å; M70-R74 HydrophobicContact CE-CG 4.47Å; S71-R74 WeakPolarHBondContact O-CA 3.16Å; S71-R74 WeakPolarHBondContact O-CB 3.38Å; S71-R74 PolarHBondContact O-N 3.02Å; R74-I78 WeakPolarHBondContact O-CB 3.17Å; R74-I78 VanDerWaalsContact O-CD1 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.4Å; R74-I78 WeakPolarHBondContact O-CG1 3.5Å; R74-I78 PolarHBondContact O-N 2.79Å
75	S	69.4	Low	69.2	Low	53 Å²	53	91.3 Å²	91.3	37%	0.371	48%	0.482	S	S	.	.	H	α-helix	trans	-67.4	-38.5	178.3	60.6	0	0	0	0	112.9	S71 T72 I78 L79	S71-S75 PolarHBondContact O-N 3.27Å; S71-S75 VanDerWaalsContact O-N 3.1Å; T72-S75 WeakPolarHBondContact CA-OG 3.03Å; T72-S75 PolarHBondContact O-N 3.16Å; T72-S75 PolarHBondContact O-OG 2.65Å; S75-I78 PolarHBondContact O-N 3.45Å; S75-L79 WeakPolarHBondContact O-CB 3.07Å; S75-L79 PolarHBondContact O-N 2.91Å
76	A	74.4	Confident	70.4	Confident	61 Å²	61	83.8 Å²	83.8	50%	0.504	45%	0.446	S	S	.	.	H	α-helix	trans	-65.1	-42.9	176.5	0	0	0	0	0	112.8	T72 L79 A80	T72-A76 PolarHBondContact O-N 2.97Å; A76-L79 PolarHBondContact O-N 3.43Å; A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 2.86Å
77	Q	79.2	Confident	72	Confident	145 Å²	145	79.6 Å²	79.6	68%	0.678	42%	0.419	S	S	*	.	H	α-helix	trans	-65.2	-39.8	176	-71.8	177.7	-14.8	0	0	112.1	M73 A80 S81	M73-Q77 PolarHBondContact O-N 3.47Å; Q77-A80 PolarHBondContact O-N 3.07Å; Q77-S81 WeakPolarHBondContact O-CB 3.47Å; Q77-S81 PolarHBondContact O-N 3.05Å; Q77-S81 PolarHBondContact O-OG 3.01Å
78	I	81.1	Confident	73.5	Confident	48 Å²	48	84.7 Å²	84.7	25%	0.246	43%	0.428	C	S	.	.	H	α-helix	trans	-65	-44.2	177	-71.6	165.2	0	0	0	110.4	L63 M70 R74 S75 S81 A82	L63-I78 HydrophobicContact CD2-CG2 3.5Å; L63-I78 VanDerWaalsContact CD2-CG2 3.5Å; M70-I78 HydrophobicContact CE-CD1 3.12Å; M70-I78 HydrophobicContact SD-CD1 3.91Å; R74-I78 WeakPolarHBondContact O-CB 3.17Å; R74-I78 VanDerWaalsContact O-CD1 3.23Å; R74-I78 WeakPolarHBondContact O-CD1 3.4Å; R74-I78 WeakPolarHBondContact O-CG1 3.5Å; R74-I78 PolarHBondContact O-N 2.79Å; S75-I78 PolarHBondContact O-N 3.45Å; I78-S81 WeakPolarHBondContact CA-OG 3.36Å; I78-S81 PolarHBondContact O-N 3.2Å; I78-S81 PolarHBondContact O-OG 2.83Å; I78-A82 WeakPolarHBondContact O-CB 3.3Å; I78-A82 PolarHBondContact O-N 2.7Å
79	L	83.9	Confident	75	Confident	45 Å²	45	74.4 Å²	74.4	24%	0.236	39%	0.39	C	S	.	.	H	α-helix	trans	-60	-48.2	175.8	-177.5	62.8	0	0	0	111.8	E54 L57 L63 S75 A76 S81 A82 L83	E54-L79 HydrophobicContact CG-CD1 4.14Å; L57-L79 HydrophobicContact CD1-CD1 3.52Å; L63-L79 HydrophobicContact CD1-CD1 3.95Å; S75-L79 WeakPolarHBondContact O-CB 3.07Å; S75-L79 PolarHBondContact O-N 2.91Å; A76-L79 PolarHBondContact O-N 3.43Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 3.37Å; L79-A82 PolarHBondContact O-N 3.32Å; L79-L83 HydrophobicContact CG-CD1 4.22Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.43Å
80	A	86.7	Confident	76.5	Confident	40 Å²	40	66.5 Å²	66.5	33%	0.331	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-39.7	177.5	0	0	0	0	0	112.2	A76 Q77 A84 G96	A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 2.86Å; Q77-A80 PolarHBondContact O-N 3.07Å; A80-A84 WeakPolarHBondContact O-CB 3.25Å; A80-A84 PolarHBondContact O-N 2.76Å; A80-G96 WeakPolarHBondContact CA-O 3.19Å; A80-G96 WeakPolarHBondContact CB-O 3.43Å
81	S	86.3	Confident	77.8	Confident	67 Å²	67	65 Å²	65	47%	0.469	36%	0.358	S	S	.	.	H	α-helix	trans	-67.2	-39	175.9	69.9	0	0	0	0	112.9	Q77 I78 L79 A84 E85	Q77-S81 WeakPolarHBondContact O-CB 3.47Å; Q77-S81 PolarHBondContact O-N 3.05Å; Q77-S81 PolarHBondContact O-OG 3.01Å; I78-S81 WeakPolarHBondContact CA-OG 3.36Å; I78-S81 PolarHBondContact O-N 3.2Å; I78-S81 PolarHBondContact O-OG 2.83Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 3.37Å; S81-A84 PolarHBondContact O-N 3.3Å; S81-E85 WeakPolarHBondContact O-CB 3.35Å; S81-E85 PolarHBondContact O-N 3.11Å
82	A	86.8	Confident	79.3	Confident	1 Å²	1	61.5 Å²	61.5	1%	0.008	33%	0.333	C	S	.	.	H	α-helix	trans	-66.3	-42.6	176.8	0	0	0	0	0	111.3	L57 L63 I78 L79 E85 M86	L57-A82 HydrophobicContact CD1-CB 4.2Å; L63-A82 HydrophobicContact CD2-CB 3.61Å; L63-A82 HydrophobicContact CG-CB 3.84Å; I78-A82 WeakPolarHBondContact O-CB 3.3Å; I78-A82 PolarHBondContact O-N 2.7Å; L79-A82 PolarHBondContact O-N 3.32Å; A82-E85 PolarHBondContact O-N 2.95Å; A82-M86 WeakPolarHBondContact O-CB 3.49Å; A82-M86 PolarHBondContact O-N 3.33Å
83	L	89.6	Confident	80.7	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-47.2	172.3	-74.8	168	0	0	0	111.4	L57 L79 E85 M86 Q87 L98 T102 M106	L57-L83 HydrophobicContact CD1-CD2 3.88Å; L57-L83 HydrophobicContact CD1-CG 3.95Å; L57-L83 HydrophobicContact CD2-CD2 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.22Å; L79-L83 WeakPolarHBondContact O-CG 3.46Å; L79-L83 PolarHBondContact O-N 3.43Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.82Å; L83-M86 WeakPolarHBondContact O-CB 3.37Å; L83-M86 PolarHBondContact O-N 3.05Å; L83-Q87 WeakPolarHBondContact O-CB 3.49Å; L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.67Å; L83-L98 HydrophobicContact CD1-CB 4.23Å; L83-L98 HydrophobicContact CD2-CD1 4.24Å; L83-T102 HydrophobicContact CD2-CG2 4.23Å; L83-M106 HydrophobicContact CD2-CE 3.6Å
84	A	86.8	Confident	82.7	Confident	24 Å²	24	54.2 Å²	54.2	20%	0.198	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-34.4	178.5	0	0	0	0	0	112.6	A80 S81 R88 V94	A80-A84 WeakPolarHBondContact O-CB 3.25Å; A80-A84 PolarHBondContact O-N 2.76Å; S81-A84 PolarHBondContact O-N 3.3Å; A84-R88 WeakPolarHBondContact O-CB 3.45Å; A84-R88 PolarHBondContact O-N 3.31Å; A84-V94 HydrophobicContact CB-CG1 3.89Å
85	E	86.2	Confident	84	Confident	82 Å²	82	49.9 Å²	49.9	38%	0.383	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-43.7	176.9	-170.6	168.1	-172.2	0	0	112.2	Y62 S81 A82 L83 R88 F89 Q116	Y62-E85 HydrophobicContact CD1-CB 4.31Å; Y62-E85 HydrophobicContact CD1-CG 4.29Å; Y62-E85 HydrophobicContact CE1-CG 4.36Å; S81-E85 WeakPolarHBondContact O-CB 3.35Å; S81-E85 PolarHBondContact O-N 3.11Å; A82-E85 PolarHBondContact O-N 2.95Å; L83-E85 VanDerWaalsContact C-N 3.27Å; L83-E85 PolarHBondContact O-N 2.82Å; E85-R88 PolarHBondContact O-N 3.49Å; E85-F89 WeakPolarHBondContact O-CB 3.5Å; E85-F89 PolarHBondContact O-N 3.05Å; E85-Q116 PolarHBondContact OE1-NE2 2.92Å
86	M	88.6	Confident	84.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.3	-52.4	169.6	171.5	-122.7	171.5	0	0	110.6	W56 L57 Y62 A82 L83 R88 F89 Y90 I92 T102 M106	W56-M86 HydrophobicContact CH2-CE 3.9Å; W56-M86 HydrophobicContact CH2-CG 4.21Å; W56-M86 HydrophobicContact CZ3-CE 4.19Å; W56-M86 HydrophobicContact CZ3-CG 3.91Å; W56-M86 HydrophobicContact CZ3-SD 4.28Å; L57-M86 HydrophobicContact CD2-CB 4.04Å; L57-M86 HydrophobicContact CD2-CG 4.38Å; Y62-M86 HydrophobicContact CD1-CB 4.02Å; Y62-M86 HydrophobicContact CD2-CB 4.31Å; Y62-M86 HydrophobicContact CE1-CB 3.81Å; Y62-M86 HydrophobicContact CE2-CB 4.13Å; Y62-M86 HydrophobicContact CE2-CG 4.27Å; Y62-M86 HydrophobicContact CG-CB 4.26Å; A82-M86 WeakPolarHBondContact O-CB 3.49Å; A82-M86 PolarHBondContact O-N 3.33Å; L83-M86 WeakPolarHBondContact O-CB 3.37Å; L83-M86 PolarHBondContact O-N 3.05Å; M86-R88 VanDerWaalsContact C-N 3.29Å; M86-R88 PolarHBondContact O-N 3.33Å; M86-F89 PolarHBondContact O-N 3.5Å; M86-Y90 HydrophobicContact CB-CE2 4.4Å; M86-Y90 HydrophobicContact CE-CD2 3.64Å; M86-Y90 HydrophobicContact CE-CE2 3.44Å; M86-Y90 VanDerWaalsContact CE-CE2 3.44Å; M86-Y90 HydrophobicContact CG-CD2 3.67Å; M86-Y90 HydrophobicContact CG-CE2 3.21Å; M86-Y90 WeakPolarHBondContact O-CD2 3.24Å; M86-Y90 PolarHBondContact O-N 3.3Å; M86-Y90 VanDerWaalsContact O-N 3.1Å; M86-Y90 HydrophobicContact SD-CD2 4.33Å; M86-Y90 HydrophobicContact SD-CE2 4.12Å; M86-I92 HydrophobicContact CE-CD1 4.11Å; M86-T102 HydrophobicContact CE-CG2 4.15Å; M86-T102 HydrophobicContact SD-CG2 3.95Å; M86-M106 HydrophobicContact CE-CE 4.07Å; M86-M106 HydrophobicContact CE-CG 3.86Å; M86-M106 HydrophobicContact SD-CE 3.65Å
87	Q	89.1	Confident	85.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-57.4	-45.2	-179.8	-74.2	169.1	-19	0	0	111.7	L83 F89 Y90 G91 I92 V94 T95 V97 T102	L83-Q87 WeakPolarHBondContact O-CB 3.49Å; L83-Q87 WeakPolarHBondContact O-CG 3.39Å; L83-Q87 PolarHBondContact O-N 2.67Å; Q87-F89 VanDerWaalsContact C-N 3.34Å; Q87-F89 PolarHBondContact O-N 3.01Å; Q87-Y90 PolarHBondContact O-N 3.08Å; Q87-G91 PolarHBondContact O-N 2.88Å; Q87-I92 HydrophobicContact CB-CD1 4.03Å; Q87-I92 HydrophobicContact CB-CG1 3.63Å; Q87-I92 HydrophobicContact CG-CD1 3.56Å; Q87-I92 HydrophobicContact CG-CG1 3.71Å; Q87-I92 WeakPolarHBondContact O-CG1 3.49Å; Q87-I92 PolarHBondContact O-N 2.86Å; Q87-V94 HydrophobicContact CB-CG2 4.29Å; Q87-T95 PolarHBondContact NE2-OG1 2.92Å; Q87-V97 PolarHBondContact NE2-O 2.92Å; Q87-T102 PolarHBondContact NE2-OG1 3.35Å
88	R	84.7	Confident	85.9	Confident	176 Å²	176	44.9 Å²	44.9	66%	0.664	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-38.1	176.6	-176.2	-178.3	-125	101.2	2.4	112.6	A84 E85 M86 V94	A84-R88 WeakPolarHBondContact O-CB 3.45Å; A84-R88 PolarHBondContact O-N 3.31Å; E85-R88 PolarHBondContact O-N 3.49Å; M86-R88 VanDerWaalsContact C-N 3.29Å; M86-R88 PolarHBondContact O-N 3.33Å; R88-V94 HydrophobicContact CB-CG2 4.07Å
89	F	82.6	Confident	86.3	Confident	31 Å²	31	44.7 Å²	44.7	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-39.5	-178.8	-176.5	-88.1	0	0	0	111.4	E85 M86 Q87 D115 H269 S271 P279	E85-F89 WeakPolarHBondContact O-CB 3.5Å; E85-F89 PolarHBondContact O-N 3.05Å; M86-F89 PolarHBondContact O-N 3.5Å; Q87-F89 VanDerWaalsContact C-N 3.34Å; Q87-F89 PolarHBondContact O-N 3.01Å; F89-D115 HydrophobicContact CE1-CB 4.33Å; F89-D115 HydrophobicContact CZ-CB 4.42Å; F89-H269 HydrophobicContact CZ-CB 4.08Å; F89-S271 WeakPolarHBondContact O-CB 3.37Å; F89-P279 HydrophobicContact CE1-CG 3.83Å
90	Y	82.4	Confident	86.4	Confident	12 Å²	12	48.4 Å²	48.4	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-87.7	-7.3	179.7	-53.3	-50.1	0	0	0	114.8	W56 Y62 M86 Q87 I92 R110 D115 P279 F280	W56-Y90 AromaticContact CH2-CE2 3.89Å; W56-Y90 HydrophobicContact CH2-CE2 3.89Å; W56-Y90 VanDerWaalsContact CH2-OH 3.31Å; W56-Y90 WeakPolarHBondContact CH2-OH 3.37Å; Y62-Y90 PolarHBondContact OH-OH 3.31Å; M86-Y90 HydrophobicContact CB-CE2 4.4Å; M86-Y90 HydrophobicContact CE-CD2 3.64Å; M86-Y90 HydrophobicContact CE-CE2 3.44Å; M86-Y90 VanDerWaalsContact CE-CE2 3.44Å; M86-Y90 HydrophobicContact CG-CD2 3.67Å; M86-Y90 HydrophobicContact CG-CE2 3.21Å; M86-Y90 WeakPolarHBondContact O-CD2 3.24Å; M86-Y90 PolarHBondContact O-N 3.3Å; M86-Y90 VanDerWaalsContact O-N 3.1Å; M86-Y90 HydrophobicContact SD-CD2 4.33Å; M86-Y90 HydrophobicContact SD-CE2 4.12Å; Q87-Y90 PolarHBondContact O-N 3.08Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; Y90-R110 PolarHBondContact OH-NH1 2.95Å; Y90-D115 PolarHBondContact OH-OD2 2.98Å; Y90-P279 HydrophobicContact CE1-CB 4.21Å; Y90-P279 HydrophobicContact CE1-CG 3.92Å; Y90-F280 HydrophobicContact CD1-CD2 4.02Å; Y90-F280 AromaticContact CD1-CE2 3.57Å; Y90-F280 HydrophobicContact CD1-CE2 3.57Å; Y90-F280 AromaticContact CD2-CE2 3.64Å; Y90-F280 HydrophobicContact CD2-CE2 3.64Å; Y90-F280 HydrophobicContact CD2-CZ 4.23Å; Y90-F280 HydrophobicContact CE1-CD2 4.2Å; Y90-F280 AromaticContact CE1-CE2 3.63Å; Y90-F280 HydrophobicContact CE1-CE2 3.63Å; Y90-F280 HydrophobicContact CE1-CZ 4.41Å; Y90-F280 AromaticContact CE2-CE2 3.58Å; Y90-F280 HydrophobicContact CE2-CE2 3.58Å; Y90-F280 AromaticContact CE2-CZ 3.85Å; Y90-F280 HydrophobicContact CE2-CZ 3.85Å; Y90-F280 HydrophobicContact CG-CD2 4.33Å; Y90-F280 AromaticContact CG-CE2 3.62Å; Y90-F280 HydrophobicContact CG-CE2 3.62Å; Y90-F280 AromaticContact CZ-CE2 3.63Å
91	G	81.4	Confident	86.5	Confident	50 Å²	50	50.7 Å²	50.7	52%	0.515	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	73	24.9	-177.9	0	0	0	0	0	113.8	Q87	Q87-G91 PolarHBondContact O-N 2.88Å
92	I	83.9	Confident	86.6	Confident	9 Å²	9	47.5 Å²	47.5	5%	0.046	26%	0.258	C	S	.	.			trans	-87.4	158.8	170.7	58.6	174.8	0	0	0	109.9	M86 Q87 Y90 V94 W105	M86-I92 HydrophobicContact CE-CD1 4.11Å; Q87-I92 HydrophobicContact CB-CD1 4.03Å; Q87-I92 HydrophobicContact CB-CG1 3.63Å; Q87-I92 HydrophobicContact CG-CD1 3.56Å; Q87-I92 HydrophobicContact CG-CG1 3.71Å; Q87-I92 WeakPolarHBondContact O-CG1 3.49Å; Q87-I92 PolarHBondContact O-N 2.86Å; Y90-I92 VanDerWaalsContact C-N 3.33Å; I92-V94 PolarHBondContact O-N 3.11Å; I92-V94 VanDerWaalsContact O-N 3.16Å; I92-W105 HydrophobicContact CD1-CG 4.41Å; I92-W105 HydrophobicContact CG2-CD2 3.74Å; I92-W105 HydrophobicContact CG2-CE3 4.38Å; I92-W105 HydrophobicContact CG2-CG 4.06Å; I92-W105 HydrophobicContact CG2-CH2 4.23Å; I92-W105 HydrophobicContact CG2-CZ2 3.59Å
93	P	83.7	Confident	86.7	Confident	49 Å²	49	50.4 Å²	50.4	32%	0.318	27%	0.27	S	S	.	.			trans	-51.8	122.8	-179.8	-27.5	36.2	0	0	0	111.9	T95	P93-T95 PolarHBondContact O-N 3.11Å
94	V	89	Confident	86.6	Confident	76 Å²	76	56 Å²	56	46%	0.461	30%	0.296	S	S	.	.			trans	-82.7	91.3	-175.4	-174.5	0	0	0	0	109.2	A84 Q87 R88 I92	A84-V94 HydrophobicContact CB-CG1 3.89Å; Q87-V94 HydrophobicContact CB-CG2 4.29Å; R88-V94 HydrophobicContact CB-CG2 4.07Å; I92-V94 PolarHBondContact O-N 3.11Å; I92-V94 VanDerWaalsContact O-N 3.16Å
95	T	88.1	Confident	86.7	Confident	72 Å²	72	56.4 Å²	56.4	44%	0.442	29%	0.292	S	S	.	.			trans	-98.9	-27	177.8	61.9	0	0	0	0	112.4	Q87 P93 V97 D99	Q87-T95 PolarHBondContact NE2-OG1 2.92Å; P93-T95 PolarHBondContact O-N 3.11Å; T95-V97 PolarHBondContact O-N 3.49Å; T95-V97 PolarHBondContact OG1-N 3.08Å; T95-V97 PolarHBondContact OG1-O 3.3Å; T95-D99 WeakPolarHBondContact CG2-OD2 3.5Å; T95-D99 PolarHBondContact OG1-OD2 3.27Å
96	G	86.6	Confident	86.8	Confident	11 Å²	11	52.8 Å²	52.8	11%	0.113	28%	0.276	C	S	.	.	S	Bend	trans	68.1	12	-170.2	0	0	0	0	0	113.5	A80	A80-G96 WeakPolarHBondContact CA-O 3.19Å; A80-G96 WeakPolarHBondContact CB-O 3.43Å
97	V	88.9	Confident	86.7	Confident	90 Å²	90	57.6 Å²	57.6	55%	0.545	30%	0.297	S	S	.	.	S	Bend	trans	-121.2	145.9	-176.7	-179.9	0	0	0	0	108.9	Q87 T95 D99	Q87-V97 PolarHBondContact NE2-O 2.92Å; T95-V97 PolarHBondContact O-N 3.49Å; T95-V97 PolarHBondContact OG1-N 3.08Å; T95-V97 PolarHBondContact OG1-O 3.3Å; V97-D99 PolarHBondContact O-N 2.93Å
98	L	87.9	Confident	86.7	Confident	54 Å²	54	61.5 Å²	61.5	28%	0.283	31%	0.311	S	S	.	.			trans	-78	72.3	172.9	-172.3	68.6	0	0	0	109.9	A53 L83 T102 K103 M106	A53-L98 HydrophobicContact CB-CD1 3.89Å; A53-L98 HydrophobicContact CB-CD2 3.67Å; A53-L98 HydrophobicContact CB-CG 4.4Å; L83-L98 HydrophobicContact CD1-CB 4.23Å; L83-L98 HydrophobicContact CD2-CD1 4.24Å; L98-T102 HydrophobicContact CD1-CG2 4Å; L98-K103 HydrophobicContact CD1-CG 3.84Å; L98-K103 HydrophobicContact CD2-CG 4.34Å; L98-K103 HydrophobicContact CG-CD 4.45Å; L98-K103 HydrophobicContact CG-CG 3.79Å; L98-M106 HydrophobicContact CD1-CE 4.14Å; L98-M106 HydrophobicContact CD1-SD 3.83Å
99	D	88.1	Confident	87	Confident	43 Å²	43	54.5 Å²	54.5	23%	0.23	29%	0.289	C	S	.	.			trans	-75.2	166.6	172.8	51	33.7	0	0	0	111.9	T95 V97 E101 T102 K103	T95-D99 WeakPolarHBondContact CG2-OD2 3.5Å; T95-D99 PolarHBondContact OG1-OD2 3.27Å; V97-D99 PolarHBondContact O-N 2.93Å; D99-E101 VanDerWaalsContact C-N 3.25Å; D99-E101 PolarHBondContact O-N 3.03Å; D99-T102 PolarHBondContact O-N 3.26Å; D99-T102 VanDerWaalsContact O-N 3.14Å; D99-T102 WeakPolarHBondContact OD1-CA 3.41Å; D99-T102 WeakPolarHBondContact OD1-CB 3.39Å; D99-T102 PolarHBondContact OD1-N 3.29Å; D99-T102 PolarHBondContact OD1-OG1 3.29Å; D99-K103 WeakPolarHBondContact O-CG 3.33Å; D99-K103 PolarHBondContact O-N 3.18Å
100	E	87.8	Confident	87.5	Confident	124 Å²	124	53 Å²	53	58%	0.579	28%	0.282	S	S	*	.	H	α-helix	trans	-59.9	-36.9	-178.7	-67.8	-52.7	131	0	0	112	K103 E104	E100-K103 PolarHBondContact O-N 3.49Å; E100-K103 IonicContact OE1-NZ 3.64Å; E100-K103 PolarHBondContact OE1-NZ 3.05Å; E100-E104 WeakPolarHBondContact O-CG 3.29Å; E100-E104 PolarHBondContact O-N 2.91Å
101	E	87.1	Confident	88	Confident	87 Å²	87	52.8 Å²	52.8	41%	0.407	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-49.4	173.5	-176	174.8	-173.9	0	0	110.9	D99 K103 E104 W105	D99-E101 VanDerWaalsContact C-N 3.25Å; D99-E101 PolarHBondContact O-N 3.03Å; E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 3.32Å; E101-E104 WeakPolarHBondContact O-CB 3.42Å; E101-E104 PolarHBondContact O-N 3.33Å; E101-W105 PolarHBondContact O-N 3.03Å
102	T	88.7	Confident	88.4	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-60	-38.9	177.7	-60.5	0	0	0	0	111.7	L83 M86 Q87 L98 D99 W105 M106	L83-T102 HydrophobicContact CD2-CG2 4.23Å; M86-T102 HydrophobicContact CE-CG2 4.15Å; M86-T102 HydrophobicContact SD-CG2 3.95Å; Q87-T102 PolarHBondContact NE2-OG1 3.35Å; L98-T102 HydrophobicContact CD1-CG2 4Å; D99-T102 PolarHBondContact O-N 3.26Å; D99-T102 VanDerWaalsContact O-N 3.14Å; D99-T102 WeakPolarHBondContact OD1-CA 3.41Å; D99-T102 WeakPolarHBondContact OD1-CB 3.39Å; D99-T102 PolarHBondContact OD1-N 3.29Å; D99-T102 PolarHBondContact OD1-OG1 3.29Å; T102-W105 PolarHBondContact O-N 3.15Å; T102-M106 HydrophobicContact CG2-CE 3.95Å; T102-M106 HydrophobicContact CG2-SD 4.49Å; T102-M106 WeakPolarHBondContact O-CG 3.34Å; T102-M106 PolarHBondContact O-N 3.49Å
103	K	89.6	Confident	88.7	Confident	62 Å²	62	50.7 Å²	50.7	27%	0.27	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-44.6	175.5	-67.9	175.9	-170	170.4	0	111.9	L98 D99 E100 E101 W105 M106 K107	L98-K103 HydrophobicContact CD1-CG 3.84Å; L98-K103 HydrophobicContact CD2-CG 4.34Å; L98-K103 HydrophobicContact CG-CD 4.45Å; L98-K103 HydrophobicContact CG-CG 3.79Å; D99-K103 WeakPolarHBondContact O-CG 3.33Å; D99-K103 PolarHBondContact O-N 3.18Å; E100-K103 PolarHBondContact O-N 3.49Å; E100-K103 IonicContact OE1-NZ 3.64Å; E100-K103 PolarHBondContact OE1-NZ 3.05Å; E101-K103 VanDerWaalsContact C-N 3.29Å; E101-K103 PolarHBondContact O-N 3.32Å; K103-W105 VanDerWaalsContact C-N 3.27Å; K103-W105 PolarHBondContact O-N 3.45Å; K103-M106 PolarHBondContact O-N 3.31Å; K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 3.05Å; K103-K107 VanDerWaalsContact O-N 3.07Å
104	E	88.1	Confident	88.8	Confident	123 Å²	123	50.4 Å²	50.4	58%	0.575	26%	0.259	S	S	*	.	H	α-helix	trans	-59	-41.3	175	-75.7	-176	175.8	0	0	111.2	E100 E101 K107 R108	E100-E104 WeakPolarHBondContact O-CG 3.29Å; E100-E104 PolarHBondContact O-N 2.91Å; E101-E104 WeakPolarHBondContact O-CB 3.42Å; E101-E104 PolarHBondContact O-N 3.33Å; E104-K107 PolarHBondContact O-N 3.44Å; E104-R108 WeakPolarHBondContact O-CG 3.15Å; E104-R108 PolarHBondContact O-N 3.16Å
105	W	87.4	Confident	88.6	Confident	32 Å²	32	47.2 Å²	47.2	12%	0.121	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-42.8	174.3	-83.7	96.1	0	0	0	112.5	I92 E101 T102 K103 K107 R108 F280	I92-W105 HydrophobicContact CD1-CG 4.41Å; I92-W105 HydrophobicContact CG2-CD2 3.74Å; I92-W105 HydrophobicContact CG2-CE3 4.38Å; I92-W105 HydrophobicContact CG2-CG 4.06Å; I92-W105 HydrophobicContact CG2-CH2 4.23Å; I92-W105 HydrophobicContact CG2-CZ2 3.59Å; E101-W105 PolarHBondContact O-N 3.03Å; T102-W105 PolarHBondContact O-N 3.15Å; K103-W105 VanDerWaalsContact C-N 3.27Å; K103-W105 PolarHBondContact O-N 3.45Å; W105-K107 PolarHBondContact O-N 3.26Å; W105-R108 VanDerWaalsContact CZ2-NH1 3.25Å; W105-R108 WeakPolarHBondContact O-CB 3.46Å; W105-R108 PolarHBondContact O-N 2.68Å; W105-R108 VanDerWaalsContact O-N 3.11Å; W105-F280 AromaticContact CE3-CD2 3.84Å; W105-F280 HydrophobicContact CE3-CD2 3.84Å; W105-F280 AromaticContact CE3-CE2 3.78Å; W105-F280 HydrophobicContact CE3-CE2 3.78Å; W105-F280 HydrophobicContact CE3-CG 4.32Å; W105-F280 HydrophobicContact CE3-CZ 4.23Å; W105-F280 AromaticContact CZ3-CD2 3.84Å; W105-F280 HydrophobicContact CZ3-CD2 3.84Å; W105-F280 HydrophobicContact CZ3-CE2 4.19Å; W105-F280 HydrophobicContact CZ3-CG 4.34Å; W105-F280 WeakPolarHBondContact O-CE1 3.18Å; W105-F280 WeakPolarHBondContact O-CZ 3.41Å
106	M	88.5	Confident	87.7	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.034	22%	0.222	C	C	.	.	H	α-helix	trans	-64.5	-27	177.8	-73.4	-177.6	174.2	0	0	113.5	V51 A53 W56 L57 L83 M86 L98 T102 K103 R108	V51-M106 HydrophobicContact CG1-CB 3.81Å; V51-M106 HydrophobicContact CG1-CG 4.45Å; V51-M106 HydrophobicContact CG1-SD 3.8Å; A53-M106 HydrophobicContact CB-CE 4.4Å; A53-M106 HydrophobicContact CB-SD 4.11Å; W56-M106 HydrophobicContact CD2-CB 4.36Å; W56-M106 HydrophobicContact CD2-CE 4.35Å; W56-M106 HydrophobicContact CD2-CG 3.91Å; W56-M106 HydrophobicContact CD2-SD 4.19Å; W56-M106 HydrophobicContact CE3-CE 3.87Å; W56-M106 HydrophobicContact CE3-CG 4.21Å; W56-M106 HydrophobicContact CE3-SD 4.32Å; W56-M106 HydrophobicContact CG-CG 4.37Å; W56-M106 HydrophobicContact CG-SD 4.34Å; W56-M106 HydrophobicContact CH2-CG 4.4Å; W56-M106 HydrophobicContact CZ2-CB 4.42Å; W56-M106 HydrophobicContact CZ2-CG 4.09Å; W56-M106 HydrophobicContact CZ3-CE 4.22Å; W56-M106 HydrophobicContact CZ3-CG 4.47Å; W56-M106 PolarHBondContact NE1-O 3.01Å; L57-M106 HydrophobicContact CD2-CE 4.16Å; L57-M106 HydrophobicContact CG-CE 4.23Å; L83-M106 HydrophobicContact CD2-CE 3.6Å; M86-M106 HydrophobicContact CE-CE 4.07Å; M86-M106 HydrophobicContact CE-CG 3.86Å; M86-M106 HydrophobicContact SD-CE 3.65Å; L98-M106 HydrophobicContact CD1-CE 4.14Å; L98-M106 HydrophobicContact CD1-SD 3.83Å; T102-M106 HydrophobicContact CG2-CE 3.95Å; T102-M106 HydrophobicContact CG2-SD 4.49Å; T102-M106 WeakPolarHBondContact O-CG 3.34Å; T102-M106 PolarHBondContact O-N 3.49Å; K103-M106 PolarHBondContact O-N 3.31Å; M106-R108 VanDerWaalsContact C-N 3.33Å
107	K	88	Confident	86.7	Confident	100 Å²	100	47 Å²	47	44%	0.435	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-11.5	175.2	-69.3	178.9	179.4	-179.7	0	113.5	D48 V51 K103 E104 W105	D48-K107 IonicContact OD1-NZ 3.27Å; D48-K107 PolarHBondContact OD1-NZ 2.85Å; V51-K107 HydrophobicContact CG2-CD 4.17Å; V51-K107 HydrophobicContact CG2-CG 3.54Å; K103-K107 WeakPolarHBondContact O-CG 3.48Å; K103-K107 PolarHBondContact O-N 3.05Å; K103-K107 VanDerWaalsContact O-N 3.07Å; E104-K107 PolarHBondContact O-N 3.44Å; W105-K107 PolarHBondContact O-N 3.26Å
108	R	88.1	Confident	84.6	Confident	82 Å²	82	46.6 Å²	46.6	31%	0.309	24%	0.243	S	C	.	.	S	Bend	trans	-70.3	142.9	-177.3	-73.5	179	-177.9	-175	1	111.3	E104 W105 M106 R110 F280	E104-R108 WeakPolarHBondContact O-CG 3.15Å; E104-R108 PolarHBondContact O-N 3.16Å; W105-R108 VanDerWaalsContact CZ2-NH1 3.25Å; W105-R108 WeakPolarHBondContact O-CB 3.46Å; W105-R108 PolarHBondContact O-N 2.68Å; W105-R108 VanDerWaalsContact O-N 3.11Å; M106-R108 VanDerWaalsContact C-N 3.33Å; R108-R110 PolarHBondContact O-N 3.33Å; R108-F280 HydrophobicContact CB-CD1 3.7Å; R108-F280 HydrophobicContact CB-CE1 4.06Å
109	P	91.6	Very high	82.3	Confident	29 Å²	29	50 Å²	50	19%	0.188	27%	0.266	C	S	.	.			trans	-59.7	136.6	174.5	24.9	-33.2	0	0	0	110.7	G217 L219 Y281	P109-G217 CarbonylContact C-O 3.56Å; P109-G217 WeakPolarHBondContact CA-O 3.34Å; P109-L219 HydrophobicContact CB-CD1 4Å; P109-L219 HydrophobicContact CB-CD2 3.62Å; P109-L219 HydrophobicContact CB-CG 3.89Å; P109-Y281 HydrophobicContact CG-CD1 4.47Å; P109-Y281 WeakPolarHBondContact O-CB 3.38Å; P109-Y281 PolarHBondContact O-N 2.83Å
110	R	92.9	Very high	80.4	Confident	1 Å²	1	55.3 Å²	55.3	0%	0.004	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	167.5	-174.7	60.6	167	-69.4	168.6	11.3	112.5	W56 Y60 Y90 R108 D115 G217 L219 P279 F280	W56-R110 VanDerWaalsContact CZ2-NH1 3.27Å; Y60-R110 VanDerWaalsContact CD1-NH1 3.3Å; Y60-R110 VanDerWaalsContact CG-CZ 3.46Å; Y60-R110 VanDerWaalsContact CZ-CD 3.42Å; Y60-R110 VanDerWaalsContact CZ-NE 3.27Å; Y60-R110 WeakPolarHBondContact OH-CD 3.43Å; Y90-R110 PolarHBondContact OH-NH1 2.95Å; R108-R110 PolarHBondContact O-N 3.33Å; R110-D115 IonicContact CZ-OD1 3.76Å; R110-D115 IonicContact CZ-OD2 3.51Å; R110-D115 IonicContact NH1-OD2 2.7Å; R110-D115 PolarHBondContact NH1-OD2 2.82Å; R110-D115 IonicContact NH2-OD1 3.48Å; R110-D115 PolarHBondContact NH2-OD1 3.35Å; R110-D115 IonicContact NH2-OD2 3.14Å; R110-D115 PolarHBondContact NH2-OD2 3.49Å; R110-G217 PolarHBondContact N-O 3.26Å; R110-L219 PolarHBondContact O-N 3.06Å; R110-P279 CarbonylContact C-O 3.58Å; R110-P279 WeakPolarHBondContact CA-O 3.27Å; R110-P279 WeakPolarHBondContact CB-O 3.27Å; R110-F280 HydrophobicContact CB-CD1 3.76Å; R110-F280 HydrophobicContact CB-CE1 4.19Å; R110-F280 HydrophobicContact CB-CG 4.47Å; R110-F280 HydrophobicContact CG-CD1 4.5Å; R110-F280 HydrophobicContact CG-CE1 4.46Å
111	C	93.7	Very high	78.3	Confident	6 Å²	6	54.1 Å²	54.1	4%	0.041	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	140	165.4	179.2	0	0	0	0	110.4	V113 H259 E260 H269 P279	C111-V113 VanDerWaalsContact C-N 3.31Å; C111-V113 VanDerWaalsContact SG-CB 3.58Å; C111-V113 VanDerWaalsContact SG-CG2 3.55Å; C111-V113 PolarHBondContact SG-N 2.87Å; C111-H259 VanDerWaalsContact CB-NE2 3.26Å; C111-H259 WeakPolarHBondContact CB-NE2 3.33Å; C111-E260 PolarHBondContact SG-OE1 2.88Å; C111-E260 PolarHBondContact SG-OE2 3.49Å; C111-E260 VanDerWaalsContact SG-OE2 3.32Å; C111-H269 WeakPolarHBondContact CB-NE2 3.5Å; C111-P279 PolarHBondContact N-O 2.75Å
112	G	89.5	Confident	75.8	Confident	7 Å²	7	59.6 Å²	59.6	7%	0.072	31%	0.307	C	S	.	.			trans	-80.2	-7.3	178.5	0	0	0	0	0	115.4	F218 A220	G112-F218 VanDerWaalsContact CA-CE2 3.44Å; G112-F218 VanDerWaalsContact CA-CZ 3.45Å; G112-A220 PolarHBondContact N-O 2.83Å
113	V	88.6	Confident	73.3	Confident	8 Å²	8	62.9 Å²	62.9	5%	0.048	33%	0.333	C	S	.	.	S	Bend	trans	-65.2	135	176.1	174.6	0	0	0	0	109.9	C111 F117 H221 A222 F224 H269	C111-V113 VanDerWaalsContact C-N 3.31Å; C111-V113 VanDerWaalsContact SG-CB 3.58Å; C111-V113 VanDerWaalsContact SG-CG2 3.55Å; C111-V113 PolarHBondContact SG-N 2.87Å; V113-F117 HydrophobicContact CG1-CE1 4.26Å; V113-F117 HydrophobicContact CG1-CZ 3.59Å; V113-H221 HydrophobicContact CG2-CB 4.07Å; V113-A222 WeakPolarHBondContact CG2-O 3.3Å; V113-F224 HydrophobicContact CG1-CE2 4.34Å; V113-F224 HydrophobicContact CG1-CZ 4.02Å; V113-H269 PolarHBondContact O-CE1 3.27Å; V113-H269 PolarHBondContact O-ND1 3.15Å
114	P	86	Confident	71	Confident	43 Å²	43	67.4 Å²	67.4	28%	0.279	36%	0.361	S	S	.	.			trans	-62.1	142.9	177.7	-25.4	34.4	0	0	0	113.2	Q116 F117	P114-Q116 VanDerWaalsContact C-N 3.3Å; P114-F117 HydrophobicContact CB-CE1 4.27Å; P114-F117 HydrophobicContact CG-CE1 4.45Å; P114-F117 WeakPolarHBondContact O-CE2 3.29Å; P114-F117 WeakPolarHBondContact O-CZ 3.41Å
115	D	85.1	Confident	68.7	Low	9 Å²	9	68.4 Å²	68.4	5%	0.048	37%	0.369	C	S	.	.	S	Bend	trans	-77.1	-23.5	177.1	-53.7	-39.1	0	0	0	112.1	Y60 Y62 F89 Y90 R110 H269 P279	Y60-D115 PolarHBondContact O-N 2.89Å; Y62-D115 HydrophobicContact CE2-CB 4.2Å; Y62-D115 WeakPolarHBondContact CE2-OD2 3.49Å; Y62-D115 WeakPolarHBondContact OH-CB 3.22Å; Y62-D115 PolarHBondContact OH-OD2 2.82Å; F89-D115 HydrophobicContact CE1-CB 4.33Å; F89-D115 HydrophobicContact CZ-CB 4.42Å; Y90-D115 PolarHBondContact OH-OD2 2.98Å; R110-D115 IonicContact CZ-OD1 3.76Å; R110-D115 IonicContact CZ-OD2 3.51Å; R110-D115 IonicContact NH1-OD2 2.7Å; R110-D115 PolarHBondContact NH1-OD2 2.82Å; R110-D115 IonicContact NH2-OD1 3.48Å; R110-D115 PolarHBondContact NH2-OD1 3.35Å; R110-D115 IonicContact NH2-OD2 3.14Å; R110-D115 PolarHBondContact NH2-OD2 3.49Å; D115-H269 IonicContact OD1-CE1 3.73Å; D115-H269 PolarHBondContact OD1-CE1 3.41Å; D115-H269 IonicContact OD1-CG 3.71Å; D115-H269 IonicContact OD1-ND1 3.91Å; D115-H269 PolarHBondContact OD1-ND1 3.16Å; D115-P279 WeakPolarHBondContact OD1-CG 3.45Å
116	Q	70.2	Confident	66.6	Low	17 Å²	17	77.5 Å²	77.5	8%	0.079	40%	0.403	C	S	.	.	S	Bend	trans	-122.6	118.7	179.9	-53.8	-153	3.5	0	0	111.6	Y60 Y62 E85 P114	Y60-Q116 PolarHBondContact O-N 3.2Å; Y62-Q116 HydrophobicContact CD1-CG 4.34Å; Y62-Q116 HydrophobicContact CE1-CG 4.22Å; E85-Q116 PolarHBondContact OE1-NE2 2.92Å; P114-Q116 VanDerWaalsContact C-N 3.3Å
117	F	64.3	Low	64.3	Low	63 Å²	63	89 Å²	89	28%	0.276	45%	0.447	S	S	.	.			trans	-90.8	143.6	173.9	-60.9	-73.5	0	0	0	111.9	V113 P114 V119 R120 F224 E268	V113-F117 HydrophobicContact CG1-CE1 4.26Å; V113-F117 HydrophobicContact CG1-CZ 3.59Å; P114-F117 HydrophobicContact CB-CE1 4.27Å; P114-F117 HydrophobicContact CG-CE1 4.45Å; P114-F117 WeakPolarHBondContact O-CE2 3.29Å; P114-F117 WeakPolarHBondContact O-CZ 3.41Å; F117-V119 PolarHBondContact O-N 3.21Å; F117-R120 PolarHBondContact O-N 2.99Å; F117-F224 HydrophobicContact CD1-CE2 4.31Å; F117-F224 AromaticContact CE1-CE2 3.49Å; F117-F224 HydrophobicContact CE1-CE2 3.49Å; F117-F224 VanDerWaalsContact CE1-CE2 3.49Å; F117-F224 HydrophobicContact CE1-CZ 4.08Å; F117-F224 AromaticContact CE2-CE2 3.99Å; F117-F224 HydrophobicContact CE2-CE2 3.99Å; F117-F224 AromaticContact CE2-CZ 3.79Å; F117-F224 HydrophobicContact CE2-CZ 3.79Å; F117-F224 AromaticContact CZ-CE2 3.3Å; F117-F224 HydrophobicContact CZ-CE2 3.3Å; F117-F224 AromaticContact CZ-CZ 3.38Å; F117-F224 HydrophobicContact CZ-CZ 3.38Å; F117-E268 HydrophobicContact CD2-CG 4.17Å; F117-E268 HydrophobicContact CE2-CB 4.43Å; F117-E268 HydrophobicContact CE2-CG 3.89Å
118	G	45.9	Very low	62	Low	80 Å²	80	95.3 Å²	95.3	83%	0.825	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	27.7	-164.3	0	0	0	0	0	120.7
119	V	40	Very low	59.9	Low	126 Å²	126	99.5 Å²	99.5	76%	0.764	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-11	171.2	-170.4	0	0	0	0	112.3	F117	F117-V119 PolarHBondContact O-N 3.21Å
120	R	47.1	Very low	57.8	Low	155 Å²	155	104.8 Å²	104.8	59%	0.585	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-77.6	-20.9	177.5	-79.9	-179.7	134.4	174.1	-6.1	114.9	F117 K122	F117-R120 PolarHBondContact O-N 2.99Å; R120-K122 PolarHBondContact O-N 3.23Å; R120-K122 VanDerWaalsContact O-N 3.14Å
121	V	43.8	Very low	55.4	Low	98 Å²	98	112.9 Å²	112.9	59%	0.594	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-70.8	-8.2	-179.4	-176.1	0	0	0	0	113.2
122	K	34.7	Very low	53.2	Low	203 Å²	203	114.5 Å²	114.5	88%	0.883	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-125.9	13.3	-177.5	-76.4	-168	178.3	178.9	0	116.9	R120	R120-K122 PolarHBondContact O-N 3.23Å; R120-K122 VanDerWaalsContact O-N 3.14Å
123	A	35.8	Very low	51.6	Low	69 Å²	69	115.1 Å²	115.1	57%	0.57	54%	0.544	S	S	*	.			trans	-134.8	67	176.2	0	0	0	0	0	112.6	L125	A123-L125 PolarHBondContact O-N 3.45Å
124	N	41.3	Very low	50.1	Low	158 Å²	158	115.6 Å²	115.6	85%	0.845	55%	0.546	S	S	*	.			trans	-56.8	130.1	147	-78.4	-29.2	0	0	0	107.6
125	L	40.7	Very low	48.7	Very low	144 Å²	144	115.2 Å²	115.2	75%	0.754	54%	0.543	S	S	*	.	S	Bend	trans	89.4	103.1	-175.5	-69.9	89.9	0	0	0	116.5	A123	A123-L125 PolarHBondContact O-N 3.45Å
126	R	41.8	Very low	47.6	Very low	222 Å²	222	117.9 Å²	117.9	84%	0.838	57%	0.572	S	S	*	*			trans	76.4	99.8	154.2	-56.1	173.4	175.6	-179.8	-1.4	115.9
127	R	42.2	Very low	47.8	Very low	250 Å²	250	124.5 Å²	124.5	94%	0.943	60%	0.597	S	S	*	*			trans	-169.8	132.7	133	-105.3	164.2	-104.2	-163.4	-3.3	112.8
128	R	38.6	Very low	48.9	Very low	232 Å²	232	126.4 Å²	126.4	88%	0.875	61%	0.605	S	S	*	*			trans	-27.7	126.7	172.8	-157.2	-178.9	-158.9	178.9	4.4	113.2	K130	R128-K130 PolarHBondContact O-N 2.92Å; R128-K130 VanDerWaalsContact O-N 3.07Å
129	R	45.2	Very low	51.1	Low	169 Å²	169	124 Å²	124	64%	0.638	57%	0.571	S	S	*	*			trans	-49.9	113.6	167.3	-153.9	176.3	-178.6	-169.1	-0.3	107	R131	R129-R131 PolarHBondContact O-N 2.79Å
130	K	45.8	Very low	53.4	Low	141 Å²	141	124.7 Å²	124.7	61%	0.613	57%	0.57	S	S	*	*			trans	-65.4	132	173.5	-71.8	-178.9	177.8	174.5	0	106.3	R128 Y132 L134	R128-K130 PolarHBondContact O-N 2.92Å; R128-K130 VanDerWaalsContact O-N 3.07Å; K130-Y132 WeakPolarHBondContact CB-O 3.17Å; K130-Y132 PolarHBondContact O-N 3.29Å; K130-L134 PolarHBondContact NZ-O 3.36Å
131	R	43	Very low	55.3	Low	171 Å²	171	122.1 Å²	122.1	65%	0.645	57%	0.568	S	S	*	*	S	Bend	trans	-64.6	-20.9	178.4	-86.5	-173.1	-75.1	-149.2	1.5	112.8	R129	R129-R131 PolarHBondContact O-N 2.79Å
132	Y	48.6	Very low	57.5	Low	40 Å²	40	122.4 Å²	122.4	16%	0.157	56%	0.563	C	S	.	*	S	Bend	trans	-137.6	149.9	178.9	-44.9	-73.2	0	0	0	109.8	K130 L134 D294 R297 Q301	K130-Y132 WeakPolarHBondContact CB-O 3.17Å; K130-Y132 PolarHBondContact O-N 3.29Å; Y132-L134 PolarHBondContact O-N 3.41Å; Y132-D294 WeakPolarHBondContact CD1-O 3.33Å; Y132-R297 HydrophobicContact CD1-CB 4.25Å; Y132-R297 HydrophobicContact CE1-CB 3.6Å; Y132-R297 HydrophobicContact CE2-CB 4.35Å; Y132-R297 WeakPolarHBondContact OH-CD 3.41Å; Y132-R297 PolarHBondContact OH-NE 2.99Å; Y132-Q301 VanDerWaalsContact CD2-OE1 3.25Å
133	A	54.6	Low	60.4	Low	19 Å²	19	117.3 Å²	117.3	16%	0.157	54%	0.542	C	S	.	.			trans	-85.7	101.2	-176.9	0	0	0	0	0	108.2	E268 H269	A133-E268 VanDerWaalsContact CB-C 3.47Å; A133-E268 HydrophobicContact CB-CB 3.52Å; A133-E268 VanDerWaalsContact CB-O 3.26Å; A133-E268 WeakPolarHBondContact CB-O 3.2Å; A133-E268 PolarHBondContact O-N 3.04Å; A133-H269 VanDerWaalsContact CB-C 3.48Å; A133-H269 WeakPolarHBondContact CB-O 3.41Å
134	L	57.1	Low	63.2	Low	19 Å²	19	114 Å²	114	10%	0.099	52%	0.515	C	S	.	.	B	Isolated β-bridge	trans	-129	121.6	-175.2	-62.8	-178.8	0	0	0	109.4	K130 Y132 G136 L267 E268 Q301 L302	K130-L134 PolarHBondContact NZ-O 3.36Å; Y132-L134 PolarHBondContact O-N 3.41Å; L134-G136 PolarHBondContact O-N 3.16Å; L134-L267 HydrophobicContact CD2-CD2 3.71Å; L134-E268 PolarHBondContact N-OE2 2.75Å; L134-Q301 HydrophobicContact CD1-CB 4.34Å; L134-Q301 HydrophobicContact CD1-CG 4.02Å; L134-L302 HydrophobicContact CD1-CD2 4.23Å; L134-L302 HydrophobicContact CD2-CD1 3.79Å; L134-L302 HydrophobicContact CD2-CD2 3.91Å; L134-L302 HydrophobicContact CD2-CG 3.67Å
135	T	56.8	Low	65.8	Low	34 Å²	34	108 Å²	108	21%	0.209	48%	0.484	C	S	.	.			trans	-65.1	-25.6	176.6	55.2	0	0	0	0	113.2	R137 F224 G266 E268	T135-R137 VanDerWaalsContact C-N 3.26Å; T135-R137 PolarHBondContact OG1-N 3.28Å; T135-R137 VanDerWaalsContact OG1-N 3.08Å; T135-R137 PolarHBondContact OG1-O 3.34Å; T135-F224 HydrophobicContact CG2-CD1 3.28Å; T135-F224 HydrophobicContact CG2-CD2 3.95Å; T135-F224 HydrophobicContact CG2-CE1 3.18Å; T135-F224 HydrophobicContact CG2-CE2 3.86Å; T135-F224 HydrophobicContact CG2-CG 3.67Å; T135-F224 HydrophobicContact CG2-CZ 3.48Å; T135-F224 VanDerWaalsContact CG2-CZ 3.48Å; T135-G266 PolarHBondContact N-O 2.91Å; T135-G266 PolarHBondContact OG1-O 2.92Å; T135-E268 VanDerWaalsContact CA-OE1 3.27Å; T135-E268 WeakPolarHBondContact CA-OE1 3.46Å; T135-E268 HydrophobicContact CG2-CG 3.28Å
136	G	62.6	Low	68.5	Low	65 Å²	65	101.5 Å²	101.5	67%	0.67	45%	0.45	S	S	*	.	S	Bend	trans	81.1	3.3	-168.1	0	0	0	0	0	113.6	L134	L134-G136 PolarHBondContact O-N 3.16Å
137	R	73.6	Confident	71.1	Confident	156 Å²	156	91 Å²	91	59%	0.589	41%	0.41	S	S	*	.			trans	-99.5	135.4	167.8	-61.1	-175.3	-177.4	-168.8	1.6	108.7	T135	T135-R137 VanDerWaalsContact C-N 3.26Å; T135-R137 PolarHBondContact OG1-N 3.28Å; T135-R137 VanDerWaalsContact OG1-N 3.08Å; T135-R137 PolarHBondContact OG1-O 3.34Å
138	K	87.8	Confident	73.7	Confident	104 Å²	104	79.5 Å²	79.5	45%	0.452	37%	0.367	S	S	.	.			trans	-145.5	158.1	176.4	68.9	170.3	-172.1	167.3	0	109.8	L302 Y303	K138-L302 HydrophobicContact CB-CD2 4.46Å; K138-L302 PolarHBondContact NZ-O 3.09Å; K138-Y303 HydrophobicContact CB-CE1 4.15Å
139	W	91.4	Very high	76.2	Confident	29 Å²	29	71 Å²	71	11%	0.11	34%	0.337	C	S	.	.			trans	-67.6	136.9	166.9	-64.8	105.3	0	0	0	110.2	L144 D196 I197 P225 G226 G230 A264 Y303	W139-L144 HydrophobicContact CB-CD1 4.1Å; W139-L144 HydrophobicContact CB-CD2 3.84Å; W139-L144 HydrophobicContact CD2-CD1 4.4Å; W139-L144 HydrophobicContact CD2-CD2 3.85Å; W139-L144 HydrophobicContact CE3-CD2 4.08Å; W139-L144 HydrophobicContact CG-CD1 3.75Å; W139-L144 HydrophobicContact CG-CD2 3.74Å; W139-L144 HydrophobicContact CG-CG 4.41Å; W139-D196 HydrophobicContact CH2-CB 4Å; W139-D196 WeakPolarHBondContact CH2-O 3.23Å; W139-D196 HydrophobicContact CZ2-CB 4.38Å; W139-D196 WeakPolarHBondContact CZ2-O 3.35Å; W139-D196 HydrophobicContact CZ3-CB 4.18Å; W139-I197 HydrophobicContact CZ2-CG1 4.34Å; W139-P225 HydrophobicContact CD2-CB 3.98Å; W139-P225 HydrophobicContact CG-CB 4.11Å; W139-P225 HydrophobicContact CG-CG 4.47Å; W139-P225 HydrophobicContact CZ2-CB 4.26Å; W139-G226 WeakPolarHBondContact CH2-O 3.21Å; W139-G230 VanDerWaalsContact CH2-O 3.25Å; W139-G230 WeakPolarHBondContact CH2-O 3.43Å; W139-G230 WeakPolarHBondContact CZ2-O 3.48Å; W139-A264 PolarHBondContact NE1-O 3.27Å; W139-Y303 HydrophobicContact CB-CE1 4.13Å; W139-Y303 PolarHBondContact N-OH 2.88Å
140	N	88.8	Confident	78.5	Confident	141 Å²	141	65.8 Å²	65.8	75%	0.754	32%	0.322	S	S	*	.	S	Bend	trans	-84.4	-18.8	175.8	-67.7	-34.9	0	0	0	112.1
141	N	87.8	Confident	80.9	Confident	101 Å²	101	64 Å²	64	54%	0.54	31%	0.312	S	S	.	.			trans	-100.2	143	-179.6	-62.3	-21.2	0	0	0	109.7	L144	N141-L144 HydrophobicContact CB-CD2 4.48Å
142	H	90.2	Very high	83.3	Confident	103 Å²	103	56.1 Å²	56.1	48%	0.477	28%	0.283	S	S	.	.	S	Bend	trans	-84.3	-22.7	173.8	-71.8	-85.5	0	0	0	112.9	L177 V178	H142-L177 HydrophobicContact CB-CD2 4.45Å; H142-L177 CarbonylContact O-C 3.58Å; H142-L177 VanDerWaalsContact O-CA 3.27Å; H142-L177 WeakPolarHBondContact O-CA 3.19Å; H142-V178 PolarHBondContact O-N 2.85Å
143	H	94.8	Very high	85.3	Confident	97 Å²	97	62.5 Å²	62.5	45%	0.449	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	108.2	178.4	-170.3	-90.7	0	0	0	108.6	Q180	H143-Q180 PolarHBondContact CE1-OE1 3.47Å
144	L	95.6	Very high	87	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.5	-177.2	-61	177.3	0	0	0	109.9	W139 N141 L177 V178 F179 Q180 D196 L265	W139-L144 HydrophobicContact CB-CD1 4.1Å; W139-L144 HydrophobicContact CB-CD2 3.84Å; W139-L144 HydrophobicContact CD2-CD1 4.4Å; W139-L144 HydrophobicContact CD2-CD2 3.85Å; W139-L144 HydrophobicContact CE3-CD2 4.08Å; W139-L144 HydrophobicContact CG-CD1 3.75Å; W139-L144 HydrophobicContact CG-CD2 3.74Å; W139-L144 HydrophobicContact CG-CG 4.41Å; N141-L144 HydrophobicContact CB-CD2 4.48Å; L144-L177 HydrophobicContact CD1-CD1 4.2Å; L144-L177 HydrophobicContact CD1-CD2 4.4Å; L144-V178 PolarHBondContact N-O 3.19Å; L144-F179 HydrophobicContact CB-CD1 4Å; L144-F179 HydrophobicContact CB-CE1 4.16Å; L144-F179 HydrophobicContact CD1-CE1 3.84Å; L144-F179 CarbonylContact O-C 3.6Å; L144-F179 WeakPolarHBondContact O-CA 3.23Å; L144-Q180 PolarHBondContact O-N 3.36Å; L144-D196 HydrophobicContact CD2-CB 4.35Å; L144-L265 HydrophobicContact CD1-CD2 4.04Å
145	T	95.9	Very high	88.7	Confident	31 Å²	31	67.1 Å²	67.1	19%	0.19	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	142.2	175.1	54.7	0	0	0	0	110.1	Q180 V182 A195 D196 I197	T145-Q180 CarbonylContact C-O 3.59Å; T145-Q180 VanDerWaalsContact CA-O 3.28Å; T145-Q180 WeakPolarHBondContact CA-O 3.36Å; T145-Q180 HydrophobicContact CG2-CB 4.43Å; T145-V182 HydrophobicContact CG2-CG2 4.16Å; T145-A195 WeakPolarHBondContact OG1-CA 3.45Å; T145-D196 PolarHBondContact N-OD2 3.36Å; T145-D196 WeakPolarHBondContact O-CB 3.38Å; T145-D196 PolarHBondContact O-N 2.94Å; T145-D196 PolarHBondContact OG1-N 3Å; T145-D196 PolarHBondContact OG1-OD2 3.26Å; T145-I197 PolarHBondContact O-N 2.94Å
146	F	96.9	Very high	90.4	Very high	8 Å²	8	66.7 Å²	66.7	4%	0.035	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	171	74.7	-85.4	0	0	0	111.2	I148 R165 F168 F179 Q180 E181 V182 I197	F146-I148 HydrophobicContact CD2-CG1 4.26Å; F146-I148 HydrophobicContact CE2-CD1 4.11Å; F146-I148 HydrophobicContact CE2-CG1 4.21Å; F146-R165 HydrophobicContact CZ-CG 4.44Å; F146-F168 HydrophobicContact CB-CE1 3.93Å; F146-F168 HydrophobicContact CB-CE2 3.87Å; F146-F168 HydrophobicContact CB-CZ 3.4Å; F146-F168 HydrophobicContact CD1-CD1 4.2Å; F146-F168 HydrophobicContact CD1-CD2 4.09Å; F146-F168 HydrophobicContact CD1-CE1 4.14Å; F146-F168 HydrophobicContact CD1-CE2 4.04Å; F146-F168 HydrophobicContact CD1-CG 4.17Å; F146-F168 HydrophobicContact CD1-CZ 4.06Å; F146-F168 AromaticContact CD2-CD2 3.77Å; F146-F168 HydrophobicContact CD2-CD2 3.77Å; F146-F168 AromaticContact CD2-CE2 3.3Å; F146-F168 HydrophobicContact CD2-CE2 3.3Å; F146-F168 AromaticContact CD2-CZ 3.81Å; F146-F168 HydrophobicContact CD2-CZ 3.81Å; F146-F168 HydrophobicContact CE1-CD2 4.05Å; F146-F168 HydrophobicContact CE1-CE2 4.41Å; F146-F168 HydrophobicContact CE1-CG 4.13Å; F146-F168 AromaticContact CE2-CD2 3.74Å; F146-F168 HydrophobicContact CE2-CD2 3.74Å; F146-F168 AromaticContact CE2-CE2 3.74Å; F146-F168 HydrophobicContact CE2-CE2 3.74Å; F146-F168 HydrophobicContact CG-CD1 4.44Å; F146-F168 AromaticContact CG-CD2 3.94Å; F146-F168 HydrophobicContact CG-CD2 3.94Å; F146-F168 HydrophobicContact CG-CE1 4Å; F146-F168 AromaticContact CG-CE2 3.46Å; F146-F168 HydrophobicContact CG-CE2 3.46Å; F146-F168 VanDerWaalsContact CG-CE2 3.46Å; F146-F168 HydrophobicContact CG-CG 4.41Å; F146-F168 AromaticContact CG-CZ 3.49Å; F146-F168 HydrophobicContact CG-CZ 3.49Å; F146-F168 VanDerWaalsContact CG-CZ 3.49Å; F146-F168 AromaticContact CZ-CD2 3.87Å; F146-F168 HydrophobicContact CZ-CD2 3.87Å; F146-F168 HydrophobicContact CZ-CE2 4.26Å; F146-F168 HydrophobicContact CZ-CG 4.34Å; F146-F179 HydrophobicContact CD1-CB 3.96Å; F146-F179 HydrophobicContact CE1-CB 3.99Å; F146-Q180 PolarHBondContact N-O 3.12Å; F146-E181 HydrophobicContact CD1-CB 4.49Å; F146-E181 HydrophobicContact CD2-CG 4.33Å; F146-E181 HydrophobicContact CE1-CB 3.81Å; F146-E181 HydrophobicContact CE1-CG 4.5Å; F146-E181 HydrophobicContact CE2-CB 3.91Å; F146-E181 HydrophobicContact CE2-CG 3.7Å; F146-E181 HydrophobicContact CZ-CB 3.48Å; F146-E181 VanDerWaalsContact CZ-CB 3.48Å; F146-E181 HydrophobicContact CZ-CG 3.81Å; F146-E181 CarbonylContact O-C 3.49Å; F146-E181 WeakPolarHBondContact O-CA 3.49Å; F146-V182 PolarHBondContact O-N 2.86Å; F146-I197 CarbonylContact C-O 3.53Å; F146-I197 WeakPolarHBondContact CA-O 3.39Å; F146-I197 HydrophobicContact CB-CB 4.11Å; F146-I197 HydrophobicContact CB-CG2 4.47Å; F146-I197 WeakPolarHBondContact CB-O 3.11Å
147	S	96	Very high	91.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	133	175.7	170.3	0	0	0	0	110.4	V182 Y184 I187 I197 V199	S147-V182 WeakPolarHBondContact CB-O 3.42Å; S147-V182 PolarHBondContact OG-O 2.81Å; S147-Y184 WeakPolarHBondContact OG-CA 3.49Å; S147-Y184 WeakPolarHBondContact OG-CB 3.3Å; S147-I187 VanDerWaalsContact CB-CD1 3.46Å; S147-I197 PolarHBondContact N-O 3.35Å; S147-V199 PolarHBondContact O-N 2.95Å
148	I	96.6	Very high	92.9	Very high	10 Å²	10	69.3 Å²	69.3	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	111.4	177	-55.5	167.3	0	0	0	108.3	F146 N150 M161 V164 R165 Y184 V199	F146-I148 HydrophobicContact CD2-CG1 4.26Å; F146-I148 HydrophobicContact CE2-CD1 4.11Å; F146-I148 HydrophobicContact CE2-CG1 4.21Å; I148-N150 WeakPolarHBondContact CG2-O 3.36Å; I148-M161 HydrophobicContact CB-CE 3.96Å; I148-M161 HydrophobicContact CB-SD 3.77Å; I148-M161 HydrophobicContact CD1-CE 3.64Å; I148-M161 HydrophobicContact CD1-SD 3.71Å; I148-M161 HydrophobicContact CG1-CE 4.34Å; I148-M161 HydrophobicContact CG1-SD 4.34Å; I148-M161 HydrophobicContact CG2-CE 4.34Å; I148-M161 HydrophobicContact CG2-SD 3.46Å; I148-M161 WeakPolarHBondContact CG2-SD 3.4Å; I148-V164 HydrophobicContact CD1-CB 3.88Å; I148-V164 HydrophobicContact CD1-CG1 3.76Å; I148-V164 HydrophobicContact CG1-CG1 3.97Å; I148-R165 HydrophobicContact CD1-CG 4.48Å; I148-Y184 WeakPolarHBondContact O-CB 3.39Å; I148-V199 HydrophobicContact CG1-CB 4.26Å; I148-V199 HydrophobicContact CG2-CG1 4.35Å
149	Q	91.8	Very high	93.2	Very high	52 Å²	52	68 Å²	68	24%	0.243	32%	0.319	C	S	.	.			trans	-71.2	-43.7	-172.9	-62.7	-167.7	35.6	0	0	112.7	Y184 M198 V199 L200	Q149-Y184 HydrophobicContact CB-CD1 4.37Å; Q149-Y184 HydrophobicContact CB-CD2 4.23Å; Q149-Y184 HydrophobicContact CB-CE1 4.25Å; Q149-Y184 HydrophobicContact CB-CE2 4.13Å; Q149-Y184 HydrophobicContact CB-CG 4.35Å; Q149-Y184 HydrophobicContact CG-CD2 3.88Å; Q149-Y184 HydrophobicContact CG-CE2 3.69Å; Q149-Y184 HydrophobicContact CG-CG 4.47Å; Q149-Y184 VanDerWaalsContact O-CD1 3.25Å; Q149-Y184 WeakPolarHBondContact O-CD1 3.25Å; Q149-M198 HydrophobicContact CG-CE 3.72Å; Q149-V199 WeakPolarHBondContact CB-O 3.23Å; Q149-V199 WeakPolarHBondContact CG-O 3.18Å; Q149-V199 PolarHBondContact N-O 3.36Å; Q149-L200 HydrophobicContact CB-CD1 4.14Å
150	N	94	Very high	93.4	Very high	60 Å²	60	66.6 Å²	66.6	32%	0.321	31%	0.314	S	S	.	.			trans	-150.7	-173.3	179.9	67.8	-7.3	0	0	0	110.2	I148 F201	I148-N150 WeakPolarHBondContact CG2-O 3.36Å; N150-F201 PolarHBondContact ND2-O 2.78Å; N150-F201 VanDerWaalsContact O-CD2 3.3Å; N150-F201 WeakPolarHBondContact O-CD2 3.48Å; N150-F201 WeakPolarHBondContact OD1-CB 3.46Å; N150-F201 PolarHBondContact OD1-N 2.74Å; N150-F201 PolarHBondContact OD1-O 3.38Å
151	Y	94.6	Very high	93.7	Very high	104 Å²	104	60.6 Å²	60.6	41%	0.408	28%	0.282	S	S	.	.			trans	-136.4	162.8	-178.5	62.3	-89.4	0	0	0	110.4	E153 W157	Y151-E153 HydrophobicContact CE2-CG 4.48Å; Y151-W157 HydrophobicContact CD1-CB 4.19Å; Y151-W157 AromaticContact CD1-CD1 3.69Å; Y151-W157 HydrophobicContact CD1-CG 4.36Å; Y151-W157 HydrophobicContact CD2-CB 4.26Å; Y151-W157 HydrophobicContact CE1-CB 4.18Å; Y151-W157 AromaticContact CE1-CD1 3.98Å; Y151-W157 HydrophobicContact CE2-CB 4.28Å; Y151-W157 HydrophobicContact CG-CB 4.23Å
152	T	93	Very high	94.1	Very high	6 Å²	6	57.8 Å²	57.8	4%	0.037	27%	0.265	C	S	.	.			trans	-84.2	127.3	172.3	180	0	0	0	0	110.9	K154 L155 G156 S160 F201 W241 L253	T152-K154 PolarHBondContact O-N 2.95Å; T152-L155 HydrophobicContact CG2-CB 4.02Å; T152-L155 HydrophobicContact CG2-CD1 4.1Å; T152-L155 HydrophobicContact CG2-CG 4.06Å; T152-L155 PolarHBondContact O-N 3.47Å; T152-G156 PolarHBondContact O-N 2.63Å; T152-S160 VanDerWaalsContact CG2-OG 3.28Å; T152-S160 WeakPolarHBondContact CG2-OG 3.44Å; T152-S160 PolarHBondContact N-OG 2.85Å; T152-S160 PolarHBondContact O-OG 2.97Å; T152-F201 HydrophobicContact CG2-CD1 4.29Å; T152-F201 HydrophobicContact CG2-CE1 4.14Å; T152-W241 HydrophobicContact CG2-CB 4.23Å; T152-W241 HydrophobicContact CG2-CG 4.2Å; T152-L253 HydrophobicContact CG2-CD2 4.38Å
153	E	91.1	Very high	94.4	Very high	173 Å²	173	52.9 Å²	52.9	81%	0.808	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.8	178.7	-64.6	-172.3	167.9	0	0	112.5	Y151 L155 G156	Y151-E153 HydrophobicContact CE2-CG 4.48Å; E153-L155 VanDerWaalsContact C-N 3.28Å; E153-L155 PolarHBondContact O-N 2.88Å; E153-G156 PolarHBondContact O-N 2.88Å
154	K	90.6	Very high	94.5	Very high	107 Å²	107	48.3 Å²	48.3	47%	0.465	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.4	179.7	-68.8	169.4	175.5	159.3	0	113	T152 A237 D238 E239	T152-K154 PolarHBondContact O-N 2.95Å; K154-A237 PolarHBondContact NZ-O 3.44Å; K154-D238 VanDerWaalsContact NZ-CA 3.34Å; K154-D238 PolarHBondContact NZ-O 2.82Å; K154-E239 WeakPolarHBondContact CD-O 3.16Å; K154-E239 WeakPolarHBondContact CE-O 3.28Å; K154-E239 PolarHBondContact NZ-O 2.86Å
155	L	92.1	Very high	94.6	Very high	29 Å²	29	51.5 Å²	51.5	15%	0.152	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-17.4	176.6	-65.4	-179.1	0	0	0	112.8	T152 E153 H159 W241 F243 L253	T152-L155 HydrophobicContact CG2-CB 4.02Å; T152-L155 HydrophobicContact CG2-CD1 4.1Å; T152-L155 HydrophobicContact CG2-CG 4.06Å; T152-L155 PolarHBondContact O-N 3.47Å; E153-L155 VanDerWaalsContact C-N 3.28Å; E153-L155 PolarHBondContact O-N 2.88Å; L155-H159 HydrophobicContact CB-CB 3.98Å; L155-W241 HydrophobicContact CD1-CB 3.84Å; L155-W241 VanDerWaalsContact CD2-O 3.27Å; L155-W241 WeakPolarHBondContact CD2-O 3.37Å; L155-W241 HydrophobicContact CG-CB 3.98Å; L155-F243 HydrophobicContact CD1-CB 4.31Å; L155-F243 HydrophobicContact CD2-CB 4.03Å; L155-L253 HydrophobicContact CD1-CB 3.96Å; L155-L253 HydrophobicContact CD1-CD2 3.77Å
156	G	93.1	Very high	94.6	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	24%	0.237	C	C	.	.	H	α-helix	trans	74.3	174.6	-169.7	0	0	0	0	0	112.9	T152 E153 S160	T152-G156 PolarHBondContact O-N 2.63Å; E153-G156 PolarHBondContact O-N 2.88Å; G156-S160 WeakPolarHBondContact O-CB 3.12Å; G156-S160 PolarHBondContact O-N 3.49Å; G156-S160 PolarHBondContact O-OG 3.41Å
157	W	93.1	Very high	94.7	Very high	138 Å²	138	52.9 Å²	52.9	52%	0.523	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-52.1	-173	176.7	83.6	0	0	0	112.8	Y151 H159 S160 M161	Y151-W157 HydrophobicContact CD1-CB 4.19Å; Y151-W157 AromaticContact CD1-CD1 3.69Å; Y151-W157 HydrophobicContact CD1-CG 4.36Å; Y151-W157 HydrophobicContact CD2-CB 4.26Å; Y151-W157 HydrophobicContact CE1-CB 4.18Å; Y151-W157 AromaticContact CE1-CD1 3.98Å; Y151-W157 HydrophobicContact CE2-CB 4.28Å; Y151-W157 HydrophobicContact CG-CB 4.23Å; W157-H159 PolarHBondContact O-N 3.39Å; W157-S160 PolarHBondContact O-N 3Å; W157-M161 HydrophobicContact CD2-CG 4.25Å; W157-M161 HydrophobicContact CG-CG 4.3Å; W157-M161 HydrophobicContact CZ2-CG 4.4Å; W157-M161 WeakPolarHBondContact O-CB 3.41Å; W157-M161 WeakPolarHBondContact O-CG 3.25Å; W157-M161 PolarHBondContact O-N 3.04Å
158	Y	94.9	Very high	94.8	Very high	138 Å²	138	53 Å²	53	54%	0.541	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-52.8	-173.2	177.4	-96.3	0	0	0	112.6	S160 M161 E162	Y158-S160 PolarHBondContact O-N 3.3Å; Y158-M161 PolarHBondContact O-N 3.43Å; Y158-E162 VanDerWaalsContact O-CB 3.22Å; Y158-E162 WeakPolarHBondContact O-CB 3.2Å; Y158-E162 PolarHBondContact O-N 3.43Å
159	H	94.8	Very high	94.7	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.356	25%	0.251	S	S	.	.	H	α-helix	trans	-67.9	-36.2	-176.5	-71.1	-61.7	0	0	0	112.8	L155 W157 A163 F243	L155-H159 HydrophobicContact CB-CB 3.98Å; W157-H159 PolarHBondContact O-N 3.39Å; H159-A163 VanDerWaalsContact O-CB 3.32Å; H159-A163 WeakPolarHBondContact O-CB 3.32Å; H159-A163 PolarHBondContact O-N 3.5Å; H159-F243 HydrophobicContact CB-CB 4.18Å; H159-F243 HydrophobicContact CB-CD1 4.4Å; H159-F243 HydrophobicContact CB-CD2 4.1Å; H159-F243 HydrophobicContact CB-CG 3.97Å; H159-F243 AromaticContact CE1-CD1 3.83Å; H159-F243 AromaticContact CE1-CE1 3.97Å; H159-F243 AromaticContact ND1-CD1 3.16Å; H159-F243 WeakPolarHBondContact ND1-CD1 2.8Å; H159-F243 AromaticContact ND1-CE1 3.33Å; H159-F243 VanDerWaalsContact ND1-CE1 3.33Å; H159-F243 WeakPolarHBondContact ND1-CE1 3.09Å; H159-F243 AromaticContact ND1-CG 3.64Å; H159-F243 AromaticContact ND1-CZ 3.94Å; H159-F243 WeakPolarHBondContact O-CD2 3.4Å
160	S	95.8	Very high	95	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.8	-49.8	175.6	-56.4	0	0	0	0	111.5	T152 G156 W157 Y158 A163 V164	T152-S160 VanDerWaalsContact CG2-OG 3.28Å; T152-S160 WeakPolarHBondContact CG2-OG 3.44Å; T152-S160 PolarHBondContact N-OG 2.85Å; T152-S160 PolarHBondContact O-OG 2.97Å; G156-S160 WeakPolarHBondContact O-CB 3.12Å; G156-S160 PolarHBondContact O-N 3.49Å; G156-S160 PolarHBondContact O-OG 3.41Å; W157-S160 PolarHBondContact O-N 3Å; Y158-S160 PolarHBondContact O-N 3.3Å; S160-A163 PolarHBondContact O-N 3.48Å; S160-V164 PolarHBondContact O-N 2.75Å
161	M	95.5	Very high	95.1	Very high	15 Å²	15	52.8 Å²	52.8	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-64.1	-43.3	179.6	-64	-68.9	-70.1	0	0	111.1	I148 W157 Y158 A163 V164 R165 E181	I148-M161 HydrophobicContact CB-CE 3.96Å; I148-M161 HydrophobicContact CB-SD 3.77Å; I148-M161 HydrophobicContact CD1-CE 3.64Å; I148-M161 HydrophobicContact CD1-SD 3.71Å; I148-M161 HydrophobicContact CG1-CE 4.34Å; I148-M161 HydrophobicContact CG1-SD 4.34Å; I148-M161 HydrophobicContact CG2-CE 4.34Å; I148-M161 HydrophobicContact CG2-SD 3.46Å; I148-M161 WeakPolarHBondContact CG2-SD 3.4Å; W157-M161 HydrophobicContact CD2-CG 4.25Å; W157-M161 HydrophobicContact CG-CG 4.3Å; W157-M161 HydrophobicContact CZ2-CG 4.4Å; W157-M161 WeakPolarHBondContact O-CB 3.41Å; W157-M161 WeakPolarHBondContact O-CG 3.25Å; W157-M161 PolarHBondContact O-N 3.04Å; Y158-M161 PolarHBondContact O-N 3.43Å; M161-A163 PolarHBondContact O-N 2.8Å; M161-V164 PolarHBondContact O-N 3.28Å; M161-R165 WeakPolarHBondContact O-CB 3.17Å; M161-R165 VanDerWaalsContact O-CG 3.23Å; M161-R165 WeakPolarHBondContact O-CG 3.42Å; M161-R165 PolarHBondContact O-N 3.47Å; M161-E181 WeakPolarHBondContact CE-OE1 3.3Å
162	E	96	Very high	95.1	Very high	42 Å²	42	51 Å²	51	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-64.9	-39	179.9	-175.5	58.3	-161.9	0	0	112	Y158 V164 R166 R169 F243	Y158-E162 VanDerWaalsContact O-CB 3.22Å; Y158-E162 WeakPolarHBondContact O-CB 3.2Å; Y158-E162 PolarHBondContact O-N 3.43Å; E162-V164 PolarHBondContact O-N 3.38Å; E162-R166 WeakPolarHBondContact O-CB 3.35Å; E162-R166 PolarHBondContact O-N 3.25Å; E162-R169 IonicContact OE1-CZ 2.7Å; E162-R169 IonicContact OE1-NH1 3.32Å; E162-R169 IonicContact OE1-NH2 3.43Å; E162-R169 PolarHBondContact OE1-NH2 2.85Å; E162-R169 IonicContact OE2-NH2 3.53Å; E162-F243 HydrophobicContact CB-CE2 4.29Å; E162-F243 HydrophobicContact CB-CZ 4.35Å; E162-F243 HydrophobicContact CG-CE2 4.28Å; E162-F243 HydrophobicContact CG-CZ 3.98Å
163	A	96.3	Very high	95.2	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-48.5	176.1	0	0	0	0	0	111.7	H159 S160 M161 R166 A167 F243 L253 F254	H159-A163 VanDerWaalsContact O-CB 3.32Å; H159-A163 WeakPolarHBondContact O-CB 3.32Å; H159-A163 PolarHBondContact O-N 3.5Å; S160-A163 PolarHBondContact O-N 3.48Å; M161-A163 PolarHBondContact O-N 2.8Å; A163-R166 PolarHBondContact O-N 3.41Å; A163-A167 PolarHBondContact O-N 3.28Å; A163-F243 HydrophobicContact CB-CD2 4Å; A163-F243 HydrophobicContact CB-CE2 4.04Å; A163-L253 HydrophobicContact CB-CB 4.16Å; A163-L253 HydrophobicContact CB-CD2 3.85Å; A163-L253 HydrophobicContact CB-CG 3.83Å; A163-F254 HydrophobicContact CB-CB 4.17Å
164	V	97.5	Very high	95.3	Very high	1 Å²	1	50 Å²	50	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-67.4	-47.3	-179.8	177.4	0	0	0	0	111.2	I148 S160 M161 E162 R166 A167 F168 V199 F201	I148-V164 HydrophobicContact CD1-CB 3.88Å; I148-V164 HydrophobicContact CD1-CG1 3.76Å; I148-V164 HydrophobicContact CG1-CG1 3.97Å; S160-V164 PolarHBondContact O-N 2.75Å; M161-V164 PolarHBondContact O-N 3.28Å; E162-V164 PolarHBondContact O-N 3.38Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 3.4Å; V164-A167 WeakPolarHBondContact O-CB 3.41Å; V164-A167 PolarHBondContact O-N 2.69Å; V164-F168 HydrophobicContact CG1-CD2 4.01Å; V164-F168 HydrophobicContact CG1-CE2 3.75Å; V164-F168 WeakPolarHBondContact O-CD2 3.27Å; V164-F168 PolarHBondContact O-N 3.14Å; V164-V199 HydrophobicContact CG1-CG1 4.28Å; V164-V199 HydrophobicContact CG1-CG2 4.07Å; V164-V199 HydrophobicContact CG2-CG1 4.26Å; V164-F201 HydrophobicContact CG2-CZ 4.27Å
165	R	97.4	Very high	95.5	Very high	67 Å²	67	45 Å²	45	25%	0.253	20%	0.199	S	C	.	.	H	α-helix	trans	-59.5	-38.9	176.3	-72.3	168.9	177.9	159.6	1.3	112.4	F146 I148 M161 A167 F168 R169 E181	F146-R165 HydrophobicContact CZ-CG 4.44Å; I148-R165 HydrophobicContact CD1-CG 4.48Å; M161-R165 WeakPolarHBondContact O-CB 3.17Å; M161-R165 VanDerWaalsContact O-CG 3.23Å; M161-R165 WeakPolarHBondContact O-CG 3.42Å; M161-R165 PolarHBondContact O-N 3.47Å; R165-A167 VanDerWaalsContact C-N 3.34Å; R165-F168 PolarHBondContact O-N 2.57Å; R165-R169 WeakPolarHBondContact O-CG 3.31Å; R165-R169 PolarHBondContact O-N 3.12Å; R165-R169 PolarHBondContact O-NE 3.29Å; R165-E181 IonicContact CZ-OE1 2.82Å; R165-E181 IonicContact CZ-OE2 3.45Å; R165-E181 IonicContact NE-OE1 3.9Å; R165-E181 PolarHBondContact NE-OE1 3.21Å; R165-E181 IonicContact NE-OE2 2.72Å; R165-E181 PolarHBondContact NE-OE2 3.29Å; R165-E181 IonicContact NH2-OE1 3.41Å; R165-E181 PolarHBondContact NH2-OE1 2.81Å; R165-E181 IonicContact NH2-OE2 3.7Å; R165-E181 PolarHBondContact NH2-OE2 3.31Å
166	R	96.3	Very high	95.6	Very high	67 Å²	67	45.5 Å²	45.5	25%	0.253	20%	0.204	S	C	.	.	H	α-helix	trans	-65	-39.2	174.9	-167	-174.9	179	-163.3	-1.2	111.3	E162 A163 V164 R169 V170 F254 V286	E162-R166 WeakPolarHBondContact O-CB 3.35Å; E162-R166 PolarHBondContact O-N 3.25Å; A163-R166 PolarHBondContact O-N 3.41Å; V164-R166 VanDerWaalsContact C-N 3.28Å; V164-R166 PolarHBondContact O-N 3.4Å; R166-R169 PolarHBondContact O-N 2.78Å; R166-V170 WeakPolarHBondContact O-CG2 3.48Å; R166-V170 PolarHBondContact O-N 3.41Å; R166-V170 VanDerWaalsContact O-N 3.15Å; R166-F254 HydrophobicContact CB-CD2 3.83Å; R166-F254 HydrophobicContact CB-CE2 3.93Å; R166-F254 HydrophobicContact CG-CD2 3.82Å; R166-F254 HydrophobicContact CG-CE2 3.5Å; R166-F254 HydrophobicContact CG-CZ 4.23Å; R166-V286 PolarHBondContact NH1-O 3.07Å; R166-V286 PolarHBondContact NH2-O 3.43Å
167	A	97.6	Very high	95.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-40.3	176.4	0	0	0	0	0	112.6	A163 V164 R165 R169 V170 F254 A257 V258 L261	A163-A167 PolarHBondContact O-N 3.28Å; V164-A167 WeakPolarHBondContact O-CB 3.41Å; V164-A167 PolarHBondContact O-N 2.69Å; R165-A167 VanDerWaalsContact C-N 3.34Å; A167-R169 PolarHBondContact O-N 3.04Å; A167-V170 WeakPolarHBondContact O-CB 3.33Å; A167-V170 PolarHBondContact O-N 3.35Å; A167-F254 HydrophobicContact CB-CD2 4.27Å; A167-F254 HydrophobicContact CB-CE2 4.47Å; A167-A257 HydrophobicContact CB-CB 3.65Å; A167-V258 HydrophobicContact CB-CB 4.47Å; A167-V258 HydrophobicContact CB-CG2 3.67Å; A167-L261 HydrophobicContact CB-CD1 3.7Å
168	F	97.7	Very high	95.8	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.018	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-45.4	171.6	-81.9	-72.8	0	0	0	112.5	F146 V164 R165 V170 W171 E172 F179 I197 V199 L261	F146-F168 HydrophobicContact CB-CE1 3.93Å; F146-F168 HydrophobicContact CB-CE2 3.87Å; F146-F168 HydrophobicContact CB-CZ 3.4Å; F146-F168 HydrophobicContact CD1-CD1 4.2Å; F146-F168 HydrophobicContact CD1-CD2 4.09Å; F146-F168 HydrophobicContact CD1-CE1 4.14Å; F146-F168 HydrophobicContact CD1-CE2 4.04Å; F146-F168 HydrophobicContact CD1-CG 4.17Å; F146-F168 HydrophobicContact CD1-CZ 4.06Å; F146-F168 AromaticContact CD2-CD2 3.77Å; F146-F168 HydrophobicContact CD2-CD2 3.77Å; F146-F168 AromaticContact CD2-CE2 3.3Å; F146-F168 HydrophobicContact CD2-CE2 3.3Å; F146-F168 AromaticContact CD2-CZ 3.81Å; F146-F168 HydrophobicContact CD2-CZ 3.81Å; F146-F168 HydrophobicContact CE1-CD2 4.05Å; F146-F168 HydrophobicContact CE1-CE2 4.41Å; F146-F168 HydrophobicContact CE1-CG 4.13Å; F146-F168 AromaticContact CE2-CD2 3.74Å; F146-F168 HydrophobicContact CE2-CD2 3.74Å; F146-F168 AromaticContact CE2-CE2 3.74Å; F146-F168 HydrophobicContact CE2-CE2 3.74Å; F146-F168 HydrophobicContact CG-CD1 4.44Å; F146-F168 AromaticContact CG-CD2 3.94Å; F146-F168 HydrophobicContact CG-CD2 3.94Å; F146-F168 HydrophobicContact CG-CE1 4Å; F146-F168 AromaticContact CG-CE2 3.46Å; F146-F168 HydrophobicContact CG-CE2 3.46Å; F146-F168 VanDerWaalsContact CG-CE2 3.46Å; F146-F168 HydrophobicContact CG-CG 4.41Å; F146-F168 AromaticContact CG-CZ 3.49Å; F146-F168 HydrophobicContact CG-CZ 3.49Å; F146-F168 VanDerWaalsContact CG-CZ 3.49Å; F146-F168 AromaticContact CZ-CD2 3.87Å; F146-F168 HydrophobicContact CZ-CD2 3.87Å; F146-F168 HydrophobicContact CZ-CE2 4.26Å; F146-F168 HydrophobicContact CZ-CG 4.34Å; V164-F168 HydrophobicContact CG1-CD2 4.01Å; V164-F168 HydrophobicContact CG1-CE2 3.75Å; V164-F168 WeakPolarHBondContact O-CD2 3.27Å; V164-F168 PolarHBondContact O-N 3.14Å; R165-F168 PolarHBondContact O-N 2.57Å; F168-V170 VanDerWaalsContact C-N 3.25Å; F168-V170 PolarHBondContact O-N 2.59Å; F168-W171 PolarHBondContact O-N 3.34Å; F168-W171 VanDerWaalsContact O-N 3.11Å; F168-E172 WeakPolarHBondContact O-CB 3.42Å; F168-E172 PolarHBondContact O-N 3.25Å; F168-F179 HydrophobicContact CB-CB 4.39Å; F168-F179 HydrophobicContact CB-CD2 4.41Å; F168-F179 HydrophobicContact CB-CG 4.36Å; F168-F179 HydrophobicContact CD1-CB 4.05Å; F168-F179 AromaticContact CD1-CD1 3.39Å; F168-F179 HydrophobicContact CD1-CD1 3.39Å; F168-F179 HydrophobicContact CD1-CD2 4.1Å; F168-F179 AromaticContact CD1-CE1 3.76Å; F168-F179 HydrophobicContact CD1-CE1 3.76Å; F168-F179 HydrophobicContact CD1-CE2 4.42Å; F168-F179 AromaticContact CD1-CG 3.57Å; F168-F179 HydrophobicContact CD1-CG 3.57Å; F168-F179 HydrophobicContact CD1-CZ 4.26Å; F168-F179 AromaticContact CE1-CD1 3.69Å; F168-F179 HydrophobicContact CE1-CD1 3.69Å; F168-F179 AromaticContact CE1-CE1 3.94Å; F168-F179 HydrophobicContact CE1-CE1 3.94Å; F168-F179 HydrophobicContact CE1-CG 4.31Å; F168-F179 HydrophobicContact CG-CB 4.46Å; F168-F179 HydrophobicContact CG-CG 4.35Å; F168-I197 HydrophobicContact CE1-CD1 3.95Å; F168-I197 HydrophobicContact CE1-CG2 4.47Å; F168-I197 HydrophobicContact CZ-CB 4.41Å; F168-I197 HydrophobicContact CZ-CD1 4.42Å; F168-I197 HydrophobicContact CZ-CG2 3.88Å; F168-V199 HydrophobicContact CE2-CG2 4.43Å; F168-L261 HydrophobicContact CD1-CD1 3.94Å; F168-L261 HydrophobicContact CD1-CD2 4.5Å; F168-L261 HydrophobicContact CD2-CD1 3.79Å; F168-L261 HydrophobicContact CE1-CD1 4Å; F168-L261 HydrophobicContact CE1-CD2 3.74Å; F168-L261 HydrophobicContact CE1-CG 4.49Å; F168-L261 HydrophobicContact CE2-CD1 3.83Å; F168-L261 HydrophobicContact CE2-CD2 3.98Å; F168-L261 HydrophobicContact CG-CD1 3.85Å; F168-L261 HydrophobicContact CZ-CD1 3.94Å; F168-L261 HydrophobicContact CZ-CD2 3.44Å; F168-L261 VanDerWaalsContact CZ-CD2 3.44Å; F168-L261 HydrophobicContact CZ-CG 4.36Å
169	R	96.1	Very high	95.9	Very high	100 Å²	100	35.4 Å²	35.4	38%	0.377	17%	0.165	S	C	.	.	H	α-helix	trans	-59.2	-34	177.7	-76	178.6	-73.6	-174.5	1.1	113.2	E162 R165 R166 A167 W171 E172 Q173	E162-R169 IonicContact OE1-CZ 2.7Å; E162-R169 IonicContact OE1-NH1 3.32Å; E162-R169 IonicContact OE1-NH2 3.43Å; E162-R169 PolarHBondContact OE1-NH2 2.85Å; E162-R169 IonicContact OE2-NH2 3.53Å; R165-R169 WeakPolarHBondContact O-CG 3.31Å; R165-R169 PolarHBondContact O-N 3.12Å; R165-R169 PolarHBondContact O-NE 3.29Å; R166-R169 PolarHBondContact O-N 2.78Å; A167-R169 PolarHBondContact O-N 3.04Å; R169-W171 VanDerWaalsContact C-N 3.34Å; R169-W171 PolarHBondContact O-N 2.69Å; R169-E172 PolarHBondContact O-N 3.16Å; R169-Q173 WeakPolarHBondContact O-CB 3.27Å; R169-Q173 VanDerWaalsContact O-CG 3.24Å; R169-Q173 WeakPolarHBondContact O-CG 3.36Å; R169-Q173 PolarHBondContact O-N 3.42Å
170	V	96.5	Very high	96	Very high	17 Å²	17	36.5 Å²	36.5	10%	0.103	17%	0.171	C	C	.	.	H	α-helix	trans	-59.9	-45.2	175.8	166.7	0	0	0	0	111.2	R166 A167 F168 F254 V258 F289 L291	R166-V170 WeakPolarHBondContact O-CG2 3.48Å; R166-V170 PolarHBondContact O-N 3.41Å; R166-V170 VanDerWaalsContact O-N 3.15Å; A167-V170 WeakPolarHBondContact O-CB 3.33Å; A167-V170 PolarHBondContact O-N 3.35Å; F168-V170 VanDerWaalsContact C-N 3.25Å; F168-V170 PolarHBondContact O-N 2.59Å; V170-F254 HydrophobicContact CG2-CE2 3.81Å; V170-F254 HydrophobicContact CG2-CZ 3.78Å; V170-V258 HydrophobicContact CB-CG2 4.34Å; V170-V258 HydrophobicContact CG1-CG1 4.05Å; V170-V258 HydrophobicContact CG1-CG2 4.39Å; V170-V258 HydrophobicContact CG2-CG2 4.22Å; V170-F289 HydrophobicContact CG1-CD1 4.4Å; V170-F289 HydrophobicContact CG1-CE1 3.83Å; V170-F289 HydrophobicContact CG2-CD1 4.12Å; V170-F289 HydrophobicContact CG2-CE1 4.25Å; V170-L291 HydrophobicContact CG1-CD1 3.7Å; V170-L291 HydrophobicContact CG1-CD2 3.86Å; V170-L291 HydrophobicContact CG1-CG 3.52Å
171	W	96.3	Very high	96.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-75.8	-34.9	178.9	-66.3	115.8	0	0	0	112.7	F168 R169 Q173 A174 T175 F179 V258 L265 L267 I276 M277 L291 D295 I299	F168-W171 PolarHBondContact O-N 3.34Å; F168-W171 VanDerWaalsContact O-N 3.11Å; R169-W171 VanDerWaalsContact C-N 3.34Å; R169-W171 PolarHBondContact O-N 2.69Å; W171-Q173 VanDerWaalsContact C-N 3.33Å; W171-Q173 PolarHBondContact O-N 3.22Å; W171-A174 PolarHBondContact O-N 3.32Å; W171-A174 VanDerWaalsContact O-N 3.16Å; W171-T175 WeakPolarHBondContact O-CG2 3.32Å; W171-T175 PolarHBondContact O-N 3.07Å; W171-T175 PolarHBondContact O-OG1 3.4Å; W171-F179 HydrophobicContact CB-CE2 4.2Å; W171-F179 HydrophobicContact CB-CZ 4.41Å; W171-V258 HydrophobicContact CZ2-CG1 4.02Å; W171-V258 VanDerWaalsContact CZ2-O 3.27Å; W171-V258 WeakPolarHBondContact CZ2-O 3.27Å; W171-V258 PolarHBondContact NE1-O 2.75Å; W171-L265 HydrophobicContact CB-CD1 3.64Å; W171-L265 HydrophobicContact CD2-CD1 3.89Å; W171-L265 HydrophobicContact CE3-CD1 4.37Å; W171-L265 HydrophobicContact CG-CD1 3.56Å; W171-L267 HydrophobicContact CH2-CD1 3.44Å; W171-L267 VanDerWaalsContact CH2-CD1 3.44Å; W171-L267 HydrophobicContact CZ2-CD1 4.27Å; W171-L267 HydrophobicContact CZ3-CD1 3.81Å; W171-I276 HydrophobicContact CH2-CG2 4.31Å; W171-I276 HydrophobicContact CZ2-CG2 4.28Å; W171-M277 HydrophobicContact CZ2-SD 4.44Å; W171-L291 HydrophobicContact CE3-CD1 3.96Å; W171-L291 HydrophobicContact CE3-CD2 4.4Å; W171-L291 HydrophobicContact CH2-CD2 3.8Å; W171-L291 HydrophobicContact CZ2-CD2 4.19Å; W171-L291 HydrophobicContact CZ3-CD1 4Å; W171-L291 HydrophobicContact CZ3-CD2 3.9Å; W171-D295 HydrophobicContact CH2-CB 4.27Å; W171-I299 HydrophobicContact CE3-CB 4.12Å; W171-I299 HydrophobicContact CE3-CD1 4.29Å; W171-I299 HydrophobicContact CE3-CG1 3.86Å; W171-I299 HydrophobicContact CE3-CG2 4.08Å; W171-I299 HydrophobicContact CZ3-CB 3.76Å; W171-I299 HydrophobicContact CZ3-CD1 4.34Å; W171-I299 HydrophobicContact CZ3-CG1 3.97Å; W171-I299 HydrophobicContact CZ3-CG2 3.84Å
172	E	95.3	Very high	96.1	Very high	65 Å²	65	39 Å²	39	30%	0.304	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-43.4	173.4	-160.9	171.4	-143.1	0	0	111.5	F168 R169 A174 T175 L177 F179	F168-E172 WeakPolarHBondContact O-CB 3.42Å; F168-E172 PolarHBondContact O-N 3.25Å; R169-E172 PolarHBondContact O-N 3.16Å; E172-A174 PolarHBondContact O-N 3.15Å; E172-T175 PolarHBondContact O-N 3.16Å; E172-L177 WeakPolarHBondContact CG-O 3.05Å; E172-F179 HydrophobicContact CB-CD2 3.87Å; E172-F179 HydrophobicContact CB-CE2 4.11Å; E172-F179 HydrophobicContact CG-CD2 4.15Å; E172-F179 PolarHBondContact OE1-N 3.15Å
173	Q	94.4	Very high	96	Very high	153 Å²	153	40.3 Å²	40.3	72%	0.715	20%	0.195	S	C	*	.	H	α-helix	trans	-66.7	-22.7	177.5	-73.6	172.6	10.6	0	0	113.8	R169 W171 P306	R169-Q173 WeakPolarHBondContact O-CB 3.27Å; R169-Q173 VanDerWaalsContact O-CG 3.24Å; R169-Q173 WeakPolarHBondContact O-CG 3.36Å; R169-Q173 PolarHBondContact O-N 3.42Å; W171-Q173 VanDerWaalsContact C-N 3.33Å; W171-Q173 PolarHBondContact O-N 3.22Å; Q173-P306 WeakPolarHBondContact O-CG 3.46Å
174	A	94	Very high	95.7	Very high	6 Å²	6	43.8 Å²	43.8	5%	0.05	21%	0.208	C	C	.	.	H	α-helix	trans	-95.7	-12.1	-176	0	0	0	0	0	113.8	W171 E172 L291 L296 I299 Q300	W171-A174 PolarHBondContact O-N 3.32Å; W171-A174 VanDerWaalsContact O-N 3.16Å; E172-A174 PolarHBondContact O-N 3.15Å; A174-L291 HydrophobicContact CB-CD1 3.57Å; A174-L296 HydrophobicContact CB-CD1 3.76Å; A174-I299 HydrophobicContact CB-CG2 4.23Å; A174-Q300 WeakPolarHBondContact O-CG 3.37Å; A174-Q300 PolarHBondContact O-NE2 3.35Å
175	T	94.9	Very high	95.4	Very high	3 Å²	3	48 Å²	48	2%	0.018	23%	0.228	C	C	.	.	S	Bend	trans	-137.1	167.6	-170.2	65.3	0	0	0	0	111.4	W171 E172 L177 I299 Y303	W171-T175 WeakPolarHBondContact O-CG2 3.32Å; W171-T175 PolarHBondContact O-N 3.07Å; W171-T175 PolarHBondContact O-OG1 3.4Å; E172-T175 PolarHBondContact O-N 3.16Å; T175-L177 PolarHBondContact O-N 2.89Å; T175-L177 WeakPolarHBondContact OG1-CB 3.45Å; T175-L177 PolarHBondContact OG1-N 3.09Å; T175-I299 HydrophobicContact CG2-CB 4.26Å; T175-I299 HydrophobicContact CG2-CG1 3.38Å; T175-I299 HydrophobicContact CG2-CG2 3.92Å; T175-Y303 HydrophobicContact CG2-CD2 4.48Å
176	P	94.6	Very high	95.1	Very high	38 Å²	38	46.4 Å²	46.4	25%	0.247	23%	0.225	C	C	.	.	S	Bend	trans	-82.3	14.7	167.8	34.1	-36.9	0	0	0	113	Y303 G304	P176-Y303 WeakPolarHBondContact CD-O 3.31Å; P176-Y303 WeakPolarHBondContact CG-O 3.22Å; P176-G304 VanDerWaalsContact CD-O 3.3Å; P176-G304 WeakPolarHBondContact CD-O 3.48Å
177	L	95.3	Very high	94.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	22%	0.217	C	C	.	.			trans	-75.7	150.3	176.1	-61.3	178	0	0	0	109.9	H142 L144 E172 T175 F179 L265 Y303	H142-L177 HydrophobicContact CB-CD2 4.45Å; H142-L177 CarbonylContact O-C 3.58Å; H142-L177 VanDerWaalsContact O-CA 3.27Å; H142-L177 WeakPolarHBondContact O-CA 3.19Å; L144-L177 HydrophobicContact CD1-CD1 4.2Å; L144-L177 HydrophobicContact CD1-CD2 4.4Å; E172-L177 WeakPolarHBondContact CG-O 3.05Å; T175-L177 PolarHBondContact O-N 2.89Å; T175-L177 WeakPolarHBondContact OG1-CB 3.45Å; T175-L177 PolarHBondContact OG1-N 3.09Å; L177-F179 HydrophobicContact CB-CE2 4.03Å; L177-F179 HydrophobicContact CB-CZ 4.04Å; L177-F179 HydrophobicContact CD1-CZ 3.97Å; L177-L265 HydrophobicContact CD1-CD2 3.69Å; L177-Y303 HydrophobicContact CD1-CD1 4.01Å; L177-Y303 HydrophobicContact CD1-CD2 3.96Å; L177-Y303 HydrophobicContact CD1-CE1 4.07Å; L177-Y303 HydrophobicContact CD1-CE2 4.03Å; L177-Y303 HydrophobicContact CD1-CG 3.95Å; L177-Y303 HydrophobicContact CD2-CD1 3.64Å; L177-Y303 HydrophobicContact CD2-CE1 3.97Å; L177-Y303 HydrophobicContact CD2-CG 4.19Å; L177-Y303 HydrophobicContact CG-CD1 4.05Å; L177-Y303 HydrophobicContact CG-CE1 4.49Å; L177-Y303 HydrophobicContact CG-CG 4.09Å
178	V	95.5	Very high	94.1	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.406	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.2	173.7	177.9	0	0	0	0	107.7	H142 L144	H142-V178 PolarHBondContact O-N 2.85Å; L144-V178 PolarHBondContact N-O 3.19Å
179	F	97.1	Very high	93.6	Very high	18 Å²	18	55.5 Å²	55.5	8%	0.079	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.9	-178.6	-62.1	-80.1	0	0	0	111	L144 F146 F168 W171 E172 L177 I197 L265	L144-F179 HydrophobicContact CB-CD1 4Å; L144-F179 HydrophobicContact CB-CE1 4.16Å; L144-F179 HydrophobicContact CD1-CE1 3.84Å; L144-F179 CarbonylContact O-C 3.6Å; L144-F179 WeakPolarHBondContact O-CA 3.23Å; F146-F179 HydrophobicContact CD1-CB 3.96Å; F146-F179 HydrophobicContact CE1-CB 3.99Å; F168-F179 HydrophobicContact CB-CB 4.39Å; F168-F179 HydrophobicContact CB-CD2 4.41Å; F168-F179 HydrophobicContact CB-CG 4.36Å; F168-F179 HydrophobicContact CD1-CB 4.05Å; F168-F179 AromaticContact CD1-CD1 3.39Å; F168-F179 HydrophobicContact CD1-CD1 3.39Å; F168-F179 HydrophobicContact CD1-CD2 4.1Å; F168-F179 AromaticContact CD1-CE1 3.76Å; F168-F179 HydrophobicContact CD1-CE1 3.76Å; F168-F179 HydrophobicContact CD1-CE2 4.42Å; F168-F179 AromaticContact CD1-CG 3.57Å; F168-F179 HydrophobicContact CD1-CG 3.57Å; F168-F179 HydrophobicContact CD1-CZ 4.26Å; F168-F179 AromaticContact CE1-CD1 3.69Å; F168-F179 HydrophobicContact CE1-CD1 3.69Å; F168-F179 AromaticContact CE1-CE1 3.94Å; F168-F179 HydrophobicContact CE1-CE1 3.94Å; F168-F179 HydrophobicContact CE1-CG 4.31Å; F168-F179 HydrophobicContact CG-CB 4.46Å; F168-F179 HydrophobicContact CG-CG 4.35Å; W171-F179 HydrophobicContact CB-CE2 4.2Å; W171-F179 HydrophobicContact CB-CZ 4.41Å; E172-F179 HydrophobicContact CB-CD2 3.87Å; E172-F179 HydrophobicContact CB-CE2 4.11Å; E172-F179 HydrophobicContact CG-CD2 4.15Å; E172-F179 PolarHBondContact OE1-N 3.15Å; L177-F179 HydrophobicContact CB-CE2 4.03Å; L177-F179 HydrophobicContact CB-CZ 4.04Å; L177-F179 HydrophobicContact CD1-CZ 3.97Å; F179-I197 HydrophobicContact CE1-CD1 4.44Å; F179-L265 HydrophobicContact CE1-CD2 3.99Å; F179-L265 HydrophobicContact CZ-CD1 4.13Å; F179-L265 HydrophobicContact CZ-CD2 3.85Å
180	Q	96.6	Very high	93.2	Very high	100 Å²	100	61.6 Å²	61.6	47%	0.467	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.9	175.3	-174.8	177.6	3.6	0	0	110.8	H143 L144 T145 F146	H143-Q180 PolarHBondContact CE1-OE1 3.47Å; L144-Q180 PolarHBondContact O-N 3.36Å; T145-Q180 CarbonylContact C-O 3.59Å; T145-Q180 VanDerWaalsContact CA-O 3.28Å; T145-Q180 WeakPolarHBondContact CA-O 3.36Å; T145-Q180 HydrophobicContact CG2-CB 4.43Å; F146-Q180 PolarHBondContact N-O 3.12Å
181	E	96.4	Very high	92.7	Very high	62 Å²	62	69.1 Å²	69.1	29%	0.29	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	126.9	172	-168.2	174.9	158.6	0	0	110.7	F146 M161 R165	F146-E181 HydrophobicContact CD1-CB 4.49Å; F146-E181 HydrophobicContact CD2-CG 4.33Å; F146-E181 HydrophobicContact CE1-CB 3.81Å; F146-E181 HydrophobicContact CE1-CG 4.5Å; F146-E181 HydrophobicContact CE2-CB 3.91Å; F146-E181 HydrophobicContact CE2-CG 3.7Å; F146-E181 HydrophobicContact CZ-CB 3.48Å; F146-E181 VanDerWaalsContact CZ-CB 3.48Å; F146-E181 HydrophobicContact CZ-CG 3.81Å; F146-E181 CarbonylContact O-C 3.49Å; F146-E181 WeakPolarHBondContact O-CA 3.49Å; M161-E181 WeakPolarHBondContact CE-OE1 3.3Å; R165-E181 IonicContact CZ-OE1 2.82Å; R165-E181 IonicContact CZ-OE2 3.45Å; R165-E181 IonicContact NE-OE1 3.9Å; R165-E181 PolarHBondContact NE-OE1 3.21Å; R165-E181 IonicContact NE-OE2 2.72Å; R165-E181 PolarHBondContact NE-OE2 3.29Å; R165-E181 IonicContact NH2-OE1 3.41Å; R165-E181 PolarHBondContact NH2-OE1 2.81Å; R165-E181 IonicContact NH2-OE2 3.7Å; R165-E181 PolarHBondContact NH2-OE2 3.31Å
182	V	95.6	Very high	92.2	Very high	5 Å²	5	73.6 Å²	73.6	3%	0.03	34%	0.337	C	S	.	.			trans	-105.1	125.7	169.9	177.5	0	0	0	0	108.1	T145 F146 S147 Y184 I187 Q192	T145-V182 HydrophobicContact CG2-CG2 4.16Å; F146-V182 PolarHBondContact O-N 2.86Å; S147-V182 WeakPolarHBondContact CB-O 3.42Å; S147-V182 PolarHBondContact OG-O 2.81Å; V182-Y184 PolarHBondContact O-N 2.95Å; V182-I187 HydrophobicContact CB-CD1 4.47Å; V182-I187 HydrophobicContact CG1-CD1 4.03Å; V182-I187 HydrophobicContact CG1-CG1 3.87Å; V182-Q192 HydrophobicContact CG1-CB 4.31Å
183	P	94	Very high	91.7	Very high	71 Å²	71	79.4 Å²	79.4	46%	0.461	36%	0.361	S	S	.	.			trans	-59.8	128.2	175.7	-23.6	33.9	0	0	0	111.2	E185 D186	P183-E185 PolarHBondContact O-N 2.69Å; P183-E185 VanDerWaalsContact O-N 3.11Å; P183-D186 PolarHBondContact O-N 2.89Å
184	Y	91.2	Very high	91	Very high	73 Å²	73	79.3 Å²	79.3	29%	0.286	36%	0.361	S	S	.	.	H	α-helix	trans	-57.8	-30.7	-179.1	179.8	-121.6	0	0	0	113.2	S147 I148 Q149 V182 D186 I187 R188 M198	S147-Y184 WeakPolarHBondContact OG-CA 3.49Å; S147-Y184 WeakPolarHBondContact OG-CB 3.3Å; I148-Y184 WeakPolarHBondContact O-CB 3.39Å; Q149-Y184 HydrophobicContact CB-CD1 4.37Å; Q149-Y184 HydrophobicContact CB-CD2 4.23Å; Q149-Y184 HydrophobicContact CB-CE1 4.25Å; Q149-Y184 HydrophobicContact CB-CE2 4.13Å; Q149-Y184 HydrophobicContact CB-CG 4.35Å; Q149-Y184 HydrophobicContact CG-CD2 3.88Å; Q149-Y184 HydrophobicContact CG-CE2 3.69Å; Q149-Y184 HydrophobicContact CG-CG 4.47Å; Q149-Y184 VanDerWaalsContact O-CD1 3.25Å; Q149-Y184 WeakPolarHBondContact O-CD1 3.25Å; V182-Y184 PolarHBondContact O-N 2.95Å; Y184-D186 VanDerWaalsContact C-N 3.26Å; Y184-D186 PolarHBondContact O-N 2.96Å; Y184-I187 HydrophobicContact CD2-CB 4.41Å; Y184-I187 PolarHBondContact O-N 2.88Å; Y184-I187 VanDerWaalsContact O-N 3.11Å; Y184-R188 WeakPolarHBondContact O-CB 3.17Å; Y184-R188 PolarHBondContact O-N 3.09Å; Y184-M198 HydrophobicContact CD2-CE 4.01Å; Y184-M198 HydrophobicContact CE2-CE 4.02Å
185	E	90.3	Very high	90.8	Very high	88 Å²	88	79.5 Å²	79.5	41%	0.411	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-36.2	175	-72.4	-60.6	158.6	0	0	113.2	P183 I187 R188 L189	P183-E185 PolarHBondContact O-N 2.69Å; P183-E185 VanDerWaalsContact O-N 3.11Å; E185-I187 VanDerWaalsContact C-N 3.34Å; E185-R188 PolarHBondContact O-N 3.27Å; E185-R188 IonicContact OE1-CZ 3.04Å; E185-R188 VanDerWaalsContact OE1-CZ 3.28Å; E185-R188 IonicContact OE1-NE 3.4Å; E185-R188 IonicContact OE1-NH1 3.9Å; E185-R188 IonicContact OE1-NH2 3.91Å; E185-R188 PolarHBondContact OE1-NH2 3.06Å; E185-R188 IonicContact OE2-CZ 3.49Å; E185-R188 IonicContact OE2-NE 4Å; E185-R188 PolarHBondContact OE2-NE 2.95Å; E185-R188 IonicContact OE2-NH2 3.92Å; E185-R188 PolarHBondContact OE2-NH2 3.27Å; E185-L189 VanDerWaalsContact O-CB 3.28Å; E185-L189 WeakPolarHBondContact O-CB 3.49Å; E185-L189 VanDerWaalsContact O-CG 3.22Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 3.46Å
186	D	90.5	Very high	90.6	Very high	35 Å²	35	81.5 Å²	81.5	19%	0.187	37%	0.373	C	S	.	.	H	α-helix	trans	-73.1	-30	178.3	-73	-28.2	0	0	0	111.9	P183 Y184 R190 R191 Q192	P183-D186 PolarHBondContact O-N 2.89Å; Y184-D186 VanDerWaalsContact C-N 3.26Å; Y184-D186 PolarHBondContact O-N 2.96Å; D186-R190 PolarHBondContact O-N 3.44Å; D186-R191 HydrophobicContact CB-CB 4.22Å; D186-R191 WeakPolarHBondContact O-CA 3.35Å; D186-R191 WeakPolarHBondContact O-CB 3.39Å; D186-R191 PolarHBondContact O-N 3.06Å; D186-R191 VanDerWaalsContact OD1-CD 3.28Å; D186-R191 WeakPolarHBondContact OD1-CD 3.29Å; D186-R191 IonicContact OD1-CZ 3.93Å; D186-R191 IonicContact OD1-NH1 3.07Å; D186-R191 PolarHBondContact OD1-NH1 3.04Å; D186-R191 VanDerWaalsContact OD1-NH1 3.07Å; D186-Q192 HydrophobicContact CB-CG 4.27Å; D186-Q192 PolarHBondContact O-N 3.08Å; D186-Q192 VanDerWaalsContact O-N 3.1Å
187	I	88.5	Confident	90.5	Very high	19 Å²	19	79.7 Å²	79.7	10%	0.097	36%	0.361	C	S	.	.	H	α-helix	trans	-72.6	-47.8	172.5	-57.9	-179	0	0	0	109.9	S147 V182 Y184 E185 L189 R190 E194 A195 M198	S147-I187 VanDerWaalsContact CB-CD1 3.46Å; V182-I187 HydrophobicContact CB-CD1 4.47Å; V182-I187 HydrophobicContact CG1-CD1 4.03Å; V182-I187 HydrophobicContact CG1-CG1 3.87Å; Y184-I187 HydrophobicContact CD2-CB 4.41Å; Y184-I187 PolarHBondContact O-N 2.88Å; Y184-I187 VanDerWaalsContact O-N 3.11Å; E185-I187 VanDerWaalsContact C-N 3.34Å; I187-L189 VanDerWaalsContact C-N 3.3Å; I187-L189 PolarHBondContact O-N 3.36Å; I187-R190 WeakPolarHBondContact O-CA 3.17Å; I187-R190 PolarHBondContact O-N 3.14Å; I187-E194 HydrophobicContact CG2-CG 4.24Å; I187-A195 HydrophobicContact CD1-CB 4.16Å; I187-M198 HydrophobicContact CD1-CE 4.13Å; I187-M198 HydrophobicContact CD1-SD 3.99Å
188	R	84.7	Confident	90.2	Very high	149 Å²	149	80.1 Å²	80.1	56%	0.562	36%	0.363	S	S	*	.	H	α-helix	trans	-58.9	-40.5	179.4	-171.3	175.8	74.2	157.3	1.6	112.3	Y184 E185 R190	Y184-R188 WeakPolarHBondContact O-CB 3.17Å; Y184-R188 PolarHBondContact O-N 3.09Å; E185-R188 PolarHBondContact O-N 3.27Å; E185-R188 IonicContact OE1-CZ 3.04Å; E185-R188 VanDerWaalsContact OE1-CZ 3.28Å; E185-R188 IonicContact OE1-NE 3.4Å; E185-R188 IonicContact OE1-NH1 3.9Å; E185-R188 IonicContact OE1-NH2 3.91Å; E185-R188 PolarHBondContact OE1-NH2 3.06Å; E185-R188 IonicContact OE2-CZ 3.49Å; E185-R188 IonicContact OE2-NE 4Å; E185-R188 PolarHBondContact OE2-NE 2.95Å; E185-R188 IonicContact OE2-NH2 3.92Å; E185-R188 PolarHBondContact OE2-NH2 3.27Å; R188-R190 PolarHBondContact O-N 3.27Å
189	L	88.8	Confident	90.2	Very high	93 Å²	93	77 Å²	77	49%	0.487	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.2	176.2	-64.2	174.1	0	0	0	113.6	E185 I187 R191	E185-L189 VanDerWaalsContact O-CB 3.28Å; E185-L189 WeakPolarHBondContact O-CB 3.49Å; E185-L189 VanDerWaalsContact O-CG 3.22Å; E185-L189 WeakPolarHBondContact O-CG 3.25Å; E185-L189 PolarHBondContact O-N 3.46Å; I187-L189 VanDerWaalsContact C-N 3.3Å; I187-L189 PolarHBondContact O-N 3.36Å; L189-R191 HydrophobicContact CB-CG 4.18Å; L189-R191 PolarHBondContact O-N 3.2Å
190	R	86.4	Confident	89.9	Confident	229 Å²	229	77.3 Å²	77.3	86%	0.864	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	30	-179.2	-55.1	-176.7	176.9	-175	-1.8	114.1	D186 I187 R188	D186-R190 PolarHBondContact O-N 3.44Å; I187-R190 WeakPolarHBondContact O-CA 3.17Å; I187-R190 PolarHBondContact O-N 3.14Å; R188-R190 PolarHBondContact O-N 3.27Å
191	R	86.6	Confident	89.8	Confident	175 Å²	175	72.8 Å²	72.8	66%	0.66	33%	0.325	S	S	*	.	S	Bend	trans	-80.3	-32.1	172.7	-64.1	173.5	176.2	170.7	-1.2	111.5	D186 L189	D186-R191 HydrophobicContact CB-CB 4.22Å; D186-R191 WeakPolarHBondContact O-CA 3.35Å; D186-R191 WeakPolarHBondContact O-CB 3.39Å; D186-R191 PolarHBondContact O-N 3.06Å; D186-R191 VanDerWaalsContact OD1-CD 3.28Å; D186-R191 WeakPolarHBondContact OD1-CD 3.29Å; D186-R191 IonicContact OD1-CZ 3.93Å; D186-R191 IonicContact OD1-NH1 3.07Å; D186-R191 PolarHBondContact OD1-NH1 3.04Å; D186-R191 VanDerWaalsContact OD1-NH1 3.07Å; L189-R191 HydrophobicContact CB-CG 4.18Å; L189-R191 PolarHBondContact O-N 3.2Å
192	Q	85.4	Confident	89.4	Confident	94 Å²	94	70.7 Å²	70.7	44%	0.439	32%	0.319	S	S	.	.	S	Bend	trans	-124	162.4	172.4	-64.3	-165.8	26.5	0	0	110.5	V182 D186	V182-Q192 HydrophobicContact CG1-CB 4.31Å; D186-Q192 HydrophobicContact CB-CG 4.27Å; D186-Q192 PolarHBondContact O-N 3.08Å; D186-Q192 VanDerWaalsContact O-N 3.1Å
193	K	85.4	Confident	88.9	Confident	187 Å²	187	73 Å²	73	81%	0.813	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-74.2	165.4	171.9	-65.5	-177.8	179.6	179.8	0	109.8
194	E	79.8	Confident	88.3	Confident	151 Å²	151	70.8 Å²	70.8	71%	0.706	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-53.7	140.8	168.6	-71	169.3	-177.7	0	0	110.2	I187	I187-E194 HydrophobicContact CG2-CG 4.24Å
195	A	90	Very high	87.5	Confident	9 Å²	9	75 Å²	75	7%	0.074	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-74.2	163.2	178.3	0	0	0	0	0	110.5	T145 I187 I197 M198	T145-A195 WeakPolarHBondContact OG1-CA 3.45Å; I187-A195 HydrophobicContact CD1-CB 4.16Å; A195-I197 PolarHBondContact O-N 2.76Å; A195-M198 HydrophobicContact CB-SD 3.81Å
196	D	89.6	Confident	86.8	Confident	46 Å²	46	72 Å²	72	25%	0.246	33%	0.331	C	S	.	.	S	Bend	trans	-65.9	-28.6	177.1	-56.1	-72.4	0	0	0	112.1	W139 L144 T145	W139-D196 HydrophobicContact CH2-CB 4Å; W139-D196 WeakPolarHBondContact CH2-O 3.23Å; W139-D196 HydrophobicContact CZ2-CB 4.38Å; W139-D196 WeakPolarHBondContact CZ2-O 3.35Å; W139-D196 HydrophobicContact CZ3-CB 4.18Å; L144-D196 HydrophobicContact CD2-CB 4.35Å; T145-D196 PolarHBondContact N-OD2 3.36Å; T145-D196 WeakPolarHBondContact O-CB 3.38Å; T145-D196 PolarHBondContact O-N 2.94Å; T145-D196 PolarHBondContact OG1-N 3Å; T145-D196 PolarHBondContact OG1-OD2 3.26Å
197	I	93.2	Very high	85.4	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	111.3	177.9	-64	167.4	0	0	0	109.2	W139 T145 F146 S147 F168 F179 A195 V199 G231 L261 A264	W139-I197 HydrophobicContact CZ2-CG1 4.34Å; T145-I197 PolarHBondContact O-N 2.94Å; F146-I197 CarbonylContact C-O 3.53Å; F146-I197 WeakPolarHBondContact CA-O 3.39Å; F146-I197 HydrophobicContact CB-CB 4.11Å; F146-I197 HydrophobicContact CB-CG2 4.47Å; F146-I197 WeakPolarHBondContact CB-O 3.11Å; S147-I197 PolarHBondContact N-O 3.35Å; F168-I197 HydrophobicContact CE1-CD1 3.95Å; F168-I197 HydrophobicContact CE1-CG2 4.47Å; F168-I197 HydrophobicContact CZ-CB 4.41Å; F168-I197 HydrophobicContact CZ-CD1 4.42Å; F168-I197 HydrophobicContact CZ-CG2 3.88Å; F179-I197 HydrophobicContact CE1-CD1 4.44Å; A195-I197 PolarHBondContact O-N 2.76Å; I197-V199 HydrophobicContact CG2-CG2 4.33Å; I197-G231 WeakPolarHBondContact CG2-O 3.33Å; I197-L261 HydrophobicContact CG2-CD2 4.18Å; I197-A264 HydrophobicContact CD1-CB 4.24Å; I197-A264 HydrophobicContact CG1-CB 4.49Å
198	M	87.9	Confident	84.6	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.059	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.2	172	-57	-66.1	-66	0	0	110.4	Q149 Y184 I187 A195 D232 T233	Q149-M198 HydrophobicContact CG-CE 3.72Å; Y184-M198 HydrophobicContact CD2-CE 4.01Å; Y184-M198 HydrophobicContact CE2-CE 4.02Å; I187-M198 HydrophobicContact CD1-CE 4.13Å; I187-M198 HydrophobicContact CD1-SD 3.99Å; A195-M198 HydrophobicContact CB-SD 3.81Å; M198-D232 VanDerWaalsContact CB-OD1 3.23Å; M198-D232 WeakPolarHBondContact CB-OD1 3.25Å; M198-D232 WeakPolarHBondContact CG-OD1 3.23Å; M198-D232 PolarHBondContact N-OD1 2.85Å; M198-D232 WeakPolarHBondContact O-CA 3.23Å; M198-T233 PolarHBondContact O-N 2.95Å
199	V	95.9	Very high	83.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.7	177.2	174	0	0	0	0	110.2	S147 I148 Q149 V164 F168 I197 F201 T233 F235	S147-V199 PolarHBondContact O-N 2.95Å; I148-V199 HydrophobicContact CG1-CB 4.26Å; I148-V199 HydrophobicContact CG2-CG1 4.35Å; Q149-V199 WeakPolarHBondContact CB-O 3.23Å; Q149-V199 WeakPolarHBondContact CG-O 3.18Å; Q149-V199 PolarHBondContact N-O 3.36Å; V164-V199 HydrophobicContact CG1-CG1 4.28Å; V164-V199 HydrophobicContact CG1-CG2 4.07Å; V164-V199 HydrophobicContact CG2-CG1 4.26Å; F168-V199 HydrophobicContact CE2-CG2 4.43Å; I197-V199 HydrophobicContact CG2-CG2 4.33Å; V199-F201 HydrophobicContact CG1-CE2 4.26Å; V199-T233 WeakPolarHBondContact CA-O 3.32Å; V199-F235 HydrophobicContact CG1-CD2 4Å; V199-F235 HydrophobicContact CG1-CE2 3.63Å
200	L	91.7	Very high	82.9	Confident	25 Å²	25	68.8 Å²	68.8	13%	0.131	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138.5	-177.1	177.5	66.5	0	0	0	111.7	Q149 A202 T233 H234 F235	Q149-L200 HydrophobicContact CB-CD1 4.14Å; L200-A202 HydrophobicContact CD2-CB 4.29Å; L200-A202 HydrophobicContact CG-CB 4.24Å; L200-T233 PolarHBondContact N-O 3.48Å; L200-H234 CarbonylContact O-C 3.58Å; L200-H234 VanDerWaalsContact O-CA 3.29Å; L200-H234 WeakPolarHBondContact O-CA 3.22Å; L200-F235 PolarHBondContact O-N 3.49Å
201	F	94.6	Very high	82.3	Confident	5 Å²	5	61.2 Å²	61.2	2%	0.022	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.1	166	-63.3	-97	0	0	0	108.9	N150 T152 V164 V199 F235 A237 L253	N150-F201 PolarHBondContact ND2-O 2.78Å; N150-F201 VanDerWaalsContact O-CD2 3.3Å; N150-F201 WeakPolarHBondContact O-CD2 3.48Å; N150-F201 WeakPolarHBondContact OD1-CB 3.46Å; N150-F201 PolarHBondContact OD1-N 2.74Å; N150-F201 PolarHBondContact OD1-O 3.38Å; T152-F201 HydrophobicContact CG2-CD1 4.29Å; T152-F201 HydrophobicContact CG2-CE1 4.14Å; V164-F201 HydrophobicContact CG2-CZ 4.27Å; V199-F201 HydrophobicContact CG1-CE2 4.26Å; F201-F235 WeakPolarHBondContact CA-O 3.36Å; F201-F235 HydrophobicContact CD1-CB 3.57Å; F201-F235 HydrophobicContact CD1-CD2 4.39Å; F201-F235 HydrophobicContact CD1-CG 4.22Å; F201-F235 HydrophobicContact CE1-CB 3.69Å; F201-F235 AromaticContact CE1-CD2 3.97Å; F201-F235 HydrophobicContact CE1-CD2 3.97Å; F201-F235 AromaticContact CE1-CG 3.87Å; F201-F235 HydrophobicContact CE1-CG 3.87Å; F201-F235 HydrophobicContact CE2-CD2 4.37Å; F201-F235 HydrophobicContact CG-CB 4.3Å; F201-F235 AromaticContact CZ-CD2 3.94Å; F201-F235 HydrophobicContact CZ-CD2 3.94Å; F201-F235 HydrophobicContact CZ-CE2 4.5Å; F201-F235 HydrophobicContact CZ-CG 4.3Å; F201-A237 HydrophobicContact CB-CB 4.48Å; F201-L253 HydrophobicContact CE1-CD1 3.66Å; F201-L253 HydrophobicContact CE1-CD2 3.82Å; F201-L253 HydrophobicContact CE1-CG 4.4Å; F201-L253 HydrophobicContact CZ-CD1 4Å; F201-L253 HydrophobicContact CZ-CD2 3.78Å; F201-L253 HydrophobicContact CZ-CG 4.49Å
202	A	86.4	Confident	82.2	Confident	19 Å²	19	53.6 Å²	53.6	16%	0.157	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	162	-179.6	0	0	0	0	0	111.5	L200 H206 F212 F235 D236 A237	L200-A202 HydrophobicContact CD2-CB 4.29Å; L200-A202 HydrophobicContact CG-CB 4.24Å; A202-H206 HydrophobicContact CB-CB 3.28Å; A202-F212 WeakPolarHBondContact O-CD2 3.07Å; A202-F212 WeakPolarHBondContact O-CE2 3.26Å; A202-F235 PolarHBondContact N-O 2.71Å; A202-D236 CarbonylContact O-C 3.46Å; A202-D236 WeakPolarHBondContact O-CA 3.19Å; A202-A237 PolarHBondContact O-N 2.72Å
203	S	86.6	Confident	82.1	Confident	53 Å²	53	54 Å²	54	37%	0.371	31%	0.31	S	S	.	.			trans	-112.4	147	176.4	-53.5	0	0	0	0	109.8	F205 D238	S203-F205 PolarHBondContact O-N 3.05Å; S203-D238 WeakPolarHBondContact CB-OD1 3.35Å; S203-D238 WeakPolarHBondContact CB-OD2 3.3Å; S203-D238 VanDerWaalsContact OG-CG 3.26Å; S203-D238 PolarHBondContact OG-OD1 3.17Å
204	G	79.9	Confident	82	Confident	24 Å²	24	45.7 Å²	45.7	25%	0.247	28%	0.277	C	S	.	.	S	Bend	trans	56.2	-133.5	174.9	0	0	0	0	0	113.7	H206 P211 F212	G204-H206 PolarHBondContact O-N 3.26Å; G204-H206 PolarHBondContact O-ND1 3.33Å; G204-P211 WeakPolarHBondContact O-CA 3.31Å; G204-F212 PolarHBondContact O-N 3.14Å
205	F	74.4	Confident	82.3	Confident	161 Å²	161	43.7 Å²	43.7	71%	0.706	28%	0.276	S	S	*	.			trans	-76.8	119.8	176.6	179.6	-97.2	0	0	0	111.4	S203 D208 P211	S203-F205 PolarHBondContact O-N 3.05Å; F205-D208 WeakPolarHBondContact CE2-O 3.32Å; F205-P211 HydrophobicContact CB-CB 4.37Å
206	H	75.8	Confident	81.8	Confident	27 Å²	27	44.7 Å²	44.7	13%	0.125	29%	0.286	C	S	.	.			trans	-132.7	28	-168	55.7	-90	0	0	0	114.4	A202 G204 D208 S210 F212 H221 H234	A202-H206 HydrophobicContact CB-CB 3.28Å; G204-H206 PolarHBondContact O-N 3.26Å; G204-H206 PolarHBondContact O-ND1 3.33Å; H206-D208 IonicContact CE1-OD1 3.97Å; H206-D208 IonicContact NE2-OD1 2.67Å; H206-D208 IonicContact NE2-OD2 3.05Å; H206-S210 PolarHBondContact CE1-O 3.23Å; H206-F212 AromaticContact CE1-CD2 3.32Å; H206-F212 WeakPolarHBondContact CE1-CD2 3.35Å; H206-F212 AromaticContact CE1-CE2 3.19Å; H206-F212 WeakPolarHBondContact CE1-CE2 3.22Å; H206-F212 AromaticContact CE1-CG 3.9Å; H206-F212 AromaticContact CE1-CZ 3.66Å; H206-F212 AromaticContact ND1-CD2 3.39Å; H206-F212 WeakPolarHBondContact ND1-CD2 3.45Å; H206-F212 AromaticContact ND1-CE2 3.54Å; H206-F212 AromaticContact NE2-CE2 3.65Å; H206-F212 AromaticContact NE2-CZ 3.92Å; H206-H221 AromaticContact CE1-CE1 3.64Å; H206-H221 AromaticContact NE2-CE1 3.31Å; H206-H221 PolarHBondContact NE2-CE1 2.93Å; H206-H221 VanDerWaalsContact NE2-CE1 3.31Å; H206-H221 AromaticContact NE2-NE2 3.68Å; H206-H234 AromaticContact CD2-CE1 3.91Å; H206-H234 AromaticContact CD2-CG 3.93Å; H206-H234 AromaticContact CD2-ND1 3.26Å; H206-H234 PolarHBondContact CD2-ND1 2.99Å; H206-H234 VanDerWaalsContact CD2-ND1 3.26Å; H206-H234 AromaticContact NE2-CG 3.76Å; H206-H234 AromaticContact NE2-ND1 3.08Å; H206-H234 PolarHBondContact NE2-ND1 2.77Å
207	G	61.6	Low	81.6	Confident	65 Å²	65	43.3 Å²	43.3	67%	0.67	28%	0.283	S	S	*	.	S	Bend	trans	101.7	2.4	170.3	0	0	0	0	0	115.4
208	D	72	Confident	81.2	Confident	13 Å²	13	43.8 Å²	43.8	7%	0.07	29%	0.285	C	S	.	.	S	Bend	trans	-125.7	-174	172.6	75.6	13.1	0	0	0	112.6	F205 H206 S210 H221 Y223 H234	F205-D208 WeakPolarHBondContact CE2-O 3.32Å; H206-D208 IonicContact CE1-OD1 3.97Å; H206-D208 IonicContact NE2-OD1 2.67Å; H206-D208 IonicContact NE2-OD2 3.05Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 3.18Å; D208-S210 PolarHBondContact OD1-N 2.99Å; D208-H221 IonicContact OD2-CD2 2.92Å; D208-H221 IonicContact OD2-CE1 3.28Å; D208-H221 IonicContact OD2-NE2 3.91Å; D208-H221 PolarHBondContact OD2-NE2 3.44Å; D208-Y223 VanDerWaalsContact CB-OH 3.23Å; D208-Y223 WeakPolarHBondContact CB-OH 3.09Å; D208-Y223 WeakPolarHBondContact OD2-CE2 3.35Å; D208-Y223 PolarHBondContact OD2-OH 3.05Å; D208-H234 IonicContact OD2-CE1 2.68Å; D208-H234 PolarHBondContact OD2-CE1 3.23Å; D208-H234 VanDerWaalsContact OD2-CE1 3.27Å; D208-H234 IonicContact OD2-ND1 3.56Å; D208-H234 PolarHBondContact OD2-ND1 3.33Å
209	S	66.4	Low	81.5	Confident	110 Å²	110	43.3 Å²	43.3	77%	0.769	28%	0.283	S	S	*	.	S	Bend	trans	-85.4	7.8	-177.7	59.6	0	0	0	0	114.7
210	S	71.6	Confident	81.4	Confident	39 Å²	39	43.3 Å²	43.3	27%	0.273	28%	0.283	S	S	.	.			trans	-127.4	74.3	-170.6	-60.8	0	0	0	0	110.3	H206 D208 H221	H206-S210 PolarHBondContact CE1-O 3.23Å; D208-S210 VanDerWaalsContact C-N 3.29Å; D208-S210 PolarHBondContact O-N 3.18Å; D208-S210 PolarHBondContact OD1-N 2.99Å; S210-H221 PolarHBondContact O-CE1 3.34Å; S210-H221 VanDerWaalsContact O-CE1 3.29Å
211	P	74.1	Confident	81.3	Confident	71 Å²	71	42.5 Å²	42.5	46%	0.461	28%	0.278	S	S	.	.			trans	-66.9	144.6	-179.8	29.6	-35	0	0	0	111.5	G204 F205	G204-P211 WeakPolarHBondContact O-CA 3.31Å; F205-P211 HydrophobicContact CB-CB 4.37Å
212	F	83.2	Confident	81.2	Confident	14 Å²	14	42.5 Å²	42.5	6%	0.061	28%	0.28	C	S	.	.			trans	-75	153.9	173.6	-65.6	-55.3	0	0	0	112.5	A202 G204 H206 F218 H221 H234 D236	A202-F212 WeakPolarHBondContact O-CD2 3.07Å; A202-F212 WeakPolarHBondContact O-CE2 3.26Å; G204-F212 PolarHBondContact O-N 3.14Å; H206-F212 AromaticContact CE1-CD2 3.32Å; H206-F212 WeakPolarHBondContact CE1-CD2 3.35Å; H206-F212 AromaticContact CE1-CE2 3.19Å; H206-F212 WeakPolarHBondContact CE1-CE2 3.22Å; H206-F212 AromaticContact CE1-CG 3.9Å; H206-F212 AromaticContact CE1-CZ 3.66Å; H206-F212 AromaticContact ND1-CD2 3.39Å; H206-F212 WeakPolarHBondContact ND1-CD2 3.45Å; H206-F212 AromaticContact ND1-CE2 3.54Å; H206-F212 AromaticContact NE2-CE2 3.65Å; H206-F212 AromaticContact NE2-CZ 3.92Å; F212-F218 AromaticContact CD1-CD2 3.65Å; F212-F218 HydrophobicContact CD1-CD2 3.65Å; F212-F218 AromaticContact CD1-CE2 3.73Å; F212-F218 HydrophobicContact CD1-CE2 3.73Å; F212-F218 HydrophobicContact CD1-CG 4.15Å; F212-F218 HydrophobicContact CD1-CZ 4.31Å; F212-F218 AromaticContact CE1-CD2 3.72Å; F212-F218 HydrophobicContact CE1-CD2 3.72Å; F212-F218 AromaticContact CE1-CE2 3.45Å; F212-F218 HydrophobicContact CE1-CE2 3.45Å; F212-F218 VanDerWaalsContact CE1-CE2 3.45Å; F212-F218 HydrophobicContact CE1-CZ 4.2Å; F212-H221 AromaticContact CE1-ND1 3.64Å; F212-H221 AromaticContact CZ-ND1 4Å; F212-H234 HydrophobicContact CE2-CB 4.26Å; F212-H234 HydrophobicContact CZ-CB 3.76Å; F212-D236 HydrophobicContact CB-CB 4.11Å; F212-D236 WeakPolarHBondContact CB-OD2 3.39Å; F212-D236 HydrophobicContact CD1-CB 3.72Å; F212-D236 HydrophobicContact CD2-CB 3.89Å; F212-D236 HydrophobicContact CE1-CB 4.04Å; F212-D236 HydrophobicContact CE2-CB 4.2Å; F212-D236 HydrophobicContact CG-CB 3.65Å; F212-D236 HydrophobicContact CZ-CB 4.29Å
213	D	83	Confident	80.9	Confident	104 Å²	104	44.2 Å²	44.2	56%	0.556	28%	0.282	S	S	*	.			trans	-97.6	-2.6	-177.1	58.5	-9	0	0	0	114	F218	D213-F218 WeakPolarHBondContact OD1-CB 3.25Å; D213-F218 PolarHBondContact OD1-N 3.26Å; D213-F218 PolarHBondContact OD2-N 3.14Å
214	G	85.1	Confident	81	Confident	11 Å²	11	43.1 Å²	43.1	11%	0.113	27%	0.271	C	S	.	.	S	Bend	trans	97.5	-147.6	178.5	0	0	0	0	0	111.1	G216 D236	G214-G216 PolarHBondContact O-N 3.41Å; G214-D236 PolarHBondContact N-OD2 3Å
215	T	85.4	Confident	81.3	Confident	110 Å²	110	42.3 Å²	42.3	68%	0.675	26%	0.261	S	S	*	.	S	Bend	trans	-71.2	120.5	-176.6	-55.9	0	0	0	0	112.7	D238	T215-D238 PolarHBondContact OG1-O 3.05Å
216	G	79.2	Confident	81.4	Confident	29 Å²	29	35.7 Å²	35.7	30%	0.299	24%	0.238	S	C	.	.	S	Bend	trans	87.4	161.9	177.5	0	0	0	0	0	112.1	G214 F218 E239	G214-G216 PolarHBondContact O-N 3.41Å; G216-F218 PolarHBondContact O-N 3.16Å; G216-E239 WeakPolarHBondContact CA-OE1 3.47Å; G216-E239 PolarHBondContact N-OE1 3.06Å; G216-E239 PolarHBondContact N-OE2 3.05Å
217	G	84.6	Confident	81.1	Confident	17 Å²	17	40.7 Å²	40.7	18%	0.175	27%	0.273	C	S	.	.	S	Bend	trans	83.6	-95.9	-177.5	0	0	0	0	0	111.6	P109 R110 L219	P109-G217 CarbonylContact C-O 3.56Å; P109-G217 WeakPolarHBondContact CA-O 3.34Å; R110-G217 PolarHBondContact N-O 3.26Å; G217-L219 PolarHBondContact O-N 2.98Å
218	F	86.1	Confident	81.7	Confident	10 Å²	10	40.5 Å²	40.5	4%	0.044	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	99.4	-173.5	-166.6	148.5	0	0	0	111.3	G112 F212 D213 G216 A220 H221	G112-F218 VanDerWaalsContact CA-CE2 3.44Å; G112-F218 VanDerWaalsContact CA-CZ 3.45Å; F212-F218 AromaticContact CD1-CD2 3.65Å; F212-F218 HydrophobicContact CD1-CD2 3.65Å; F212-F218 AromaticContact CD1-CE2 3.73Å; F212-F218 HydrophobicContact CD1-CE2 3.73Å; F212-F218 HydrophobicContact CD1-CG 4.15Å; F212-F218 HydrophobicContact CD1-CZ 4.31Å; F212-F218 AromaticContact CE1-CD2 3.72Å; F212-F218 HydrophobicContact CE1-CD2 3.72Å; F212-F218 AromaticContact CE1-CE2 3.45Å; F212-F218 HydrophobicContact CE1-CE2 3.45Å; F212-F218 VanDerWaalsContact CE1-CE2 3.45Å; F212-F218 HydrophobicContact CE1-CZ 4.2Å; D213-F218 WeakPolarHBondContact OD1-CB 3.25Å; D213-F218 PolarHBondContact OD1-N 3.26Å; D213-F218 PolarHBondContact OD2-N 3.14Å; G216-F218 PolarHBondContact O-N 3.16Å; F218-A220 VanDerWaalsContact CE2-C 3.44Å; F218-A220 WeakPolarHBondContact CE2-O 3.22Å; F218-H221 HydrophobicContact CE2-CB 3.67Å; F218-H221 AromaticContact CE2-CG 3.87Å; F218-H221 AromaticContact CE2-ND1 3.25Å; F218-H221 WeakPolarHBondContact CE2-ND1 3.38Å; F218-H221 HydrophobicContact CZ-CB 3.77Å; F218-H221 AromaticContact CZ-CG 3.79Å; F218-H221 AromaticContact CZ-ND1 3.05Å; F218-H221 WeakPolarHBondContact CZ-ND1 3.24Å
219	L	92.9	Very high	81.5	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	-45	-176.5	-60.4	-170	0	0	0	114.4	P109 R110 G217 D236 E239 W241 N251 V256 Y281	P109-L219 HydrophobicContact CB-CD1 4Å; P109-L219 HydrophobicContact CB-CD2 3.62Å; P109-L219 HydrophobicContact CB-CG 3.89Å; R110-L219 PolarHBondContact O-N 3.06Å; G217-L219 PolarHBondContact O-N 2.98Å; L219-D236 WeakPolarHBondContact O-CB 3.25Å; L219-D236 PolarHBondContact O-N 3.11Å; L219-E239 HydrophobicContact CD2-CG 3.83Å; L219-E239 VanDerWaalsContact CD2-OE1 3.3Å; L219-E239 WeakPolarHBondContact CD2-OE1 3.3Å; L219-E239 WeakPolarHBondContact CD2-OE2 3.45Å; L219-W241 HydrophobicContact CB-CH2 4.43Å; L219-N251 HydrophobicContact CD1-CB 4.28Å; L219-N251 HydrophobicContact CD2-CB 4.36Å; L219-N251 WeakPolarHBondContact CD2-ND2 3.44Å; L219-V256 HydrophobicContact CB-CG1 4.32Å; L219-V256 HydrophobicContact CD1-CG2 3.79Å; L219-Y281 HydrophobicContact CD1-CD2 3.96Å; L219-Y281 HydrophobicContact CD1-CG 3.92Å
220	A	94.3	Very high	82	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	163.9	-171.3	0	0	0	0	0	110.1	G112 F218 H234 F235 V256 E260	G112-A220 PolarHBondContact N-O 2.83Å; F218-A220 VanDerWaalsContact CE2-C 3.44Å; F218-A220 WeakPolarHBondContact CE2-O 3.22Å; A220-H234 CarbonylContact C-O 3.52Å; A220-H234 VanDerWaalsContact CA-O 3.23Å; A220-H234 WeakPolarHBondContact CA-O 3.25Å; A220-H234 VanDerWaalsContact CB-O 3.23Å; A220-H234 WeakPolarHBondContact CB-O 3.41Å; A220-F235 HydrophobicContact CB-CD1 3.71Å; A220-F235 HydrophobicContact CB-CE1 4.22Å; A220-F235 HydrophobicContact CB-CG 4.38Å; A220-V256 HydrophobicContact CB-CG1 3.58Å; A220-E260 HydrophobicContact CB-CG 3.53Å
221	H	89.3	Confident	82.5	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.032	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	156.3	168.1	61.5	-108.5	0	0	0	111.4	V113 H206 D208 S210 F212 F218 H234 E260	V113-H221 HydrophobicContact CG2-CB 4.07Å; H206-H221 AromaticContact CE1-CE1 3.64Å; H206-H221 AromaticContact NE2-CE1 3.31Å; H206-H221 PolarHBondContact NE2-CE1 2.93Å; H206-H221 VanDerWaalsContact NE2-CE1 3.31Å; H206-H221 AromaticContact NE2-NE2 3.68Å; D208-H221 IonicContact OD2-CD2 2.92Å; D208-H221 IonicContact OD2-CE1 3.28Å; D208-H221 IonicContact OD2-NE2 3.91Å; D208-H221 PolarHBondContact OD2-NE2 3.44Å; S210-H221 PolarHBondContact O-CE1 3.34Å; S210-H221 VanDerWaalsContact O-CE1 3.29Å; F212-H221 AromaticContact CE1-ND1 3.64Å; F212-H221 AromaticContact CZ-ND1 4Å; F218-H221 HydrophobicContact CE2-CB 3.67Å; F218-H221 AromaticContact CE2-CG 3.87Å; F218-H221 AromaticContact CE2-ND1 3.25Å; F218-H221 WeakPolarHBondContact CE2-ND1 3.38Å; F218-H221 HydrophobicContact CZ-CB 3.77Å; F218-H221 AromaticContact CZ-CG 3.79Å; F218-H221 AromaticContact CZ-ND1 3.05Å; F218-H221 WeakPolarHBondContact CZ-ND1 3.24Å; H221-H234 AromaticContact CE1-ND1 3.94Å; H221-H234 PolarHBondContact N-O 3.38Å; H221-H234 AromaticContact NE2-CG 3.76Å; H221-H234 AromaticContact NE2-ND1 3.21Å; H221-H234 PolarHBondContact NE2-ND1 2.69Å; H221-H234 PolarHBondContact O-N 2.68Å; H221-E260 WeakPolarHBondContact CA-OE2 3.25Å
222	A	92.4	Very high	83.1	Confident	6 Å²	6	34.6 Å²	34.6	5%	0.05	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.3	169.9	0	0	0	0	0	112.4	V113 D232 T233 E260 H263	V113-A222 WeakPolarHBondContact CG2-O 3.3Å; A222-D232 CarbonylContact C-O 3.54Å; A222-D232 VanDerWaalsContact CA-O 3.25Å; A222-D232 WeakPolarHBondContact CA-O 3.05Å; A222-T233 HydrophobicContact CB-CG2 4.16Å; A222-T233 WeakPolarHBondContact CB-OG1 3.38Å; A222-E260 HydrophobicContact CB-CB 3.97Å; A222-E260 WeakPolarHBondContact CB-O 3.37Å; A222-E260 PolarHBondContact N-OE2 3.39Å; A222-E260 VanDerWaalsContact N-OE2 3.12Å; A222-H263 HydrophobicContact CB-CB 3.89Å
223	Y	82	Confident	83.6	Confident	55 Å²	55	34 Å²	34	22%	0.216	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-86.5	142.8	173	-69.3	-81.8	0	0	0	110.7	D208 L229 G231 D232 A264	D208-Y223 VanDerWaalsContact CB-OH 3.23Å; D208-Y223 WeakPolarHBondContact CB-OH 3.09Å; D208-Y223 WeakPolarHBondContact OD2-CE2 3.35Å; D208-Y223 PolarHBondContact OD2-OH 3.05Å; Y223-L229 WeakPolarHBondContact CB-O 3.3Å; Y223-L229 HydrophobicContact CD2-CB 4.34Å; Y223-L229 HydrophobicContact CG-CB 4.49Å; Y223-G231 VanDerWaalsContact O-CA 3.23Å; Y223-G231 WeakPolarHBondContact O-CA 3.19Å; Y223-G231 PolarHBondContact O-N 2.95Å; Y223-D232 HydrophobicContact CD2-CB 4.15Å; Y223-D232 PolarHBondContact N-O 2.68Å; Y223-A264 WeakPolarHBondContact O-CA 3.39Å
224	F	86.8	Confident	84	Confident	29 Å²	29	29.4 Å²	29.4	13%	0.127	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.2	158.4	174.9	-64.5	-65.7	0	0	0	113	V113 F117 T135 G226 G230 G231 H263 L267	V113-F224 HydrophobicContact CG1-CE2 4.34Å; V113-F224 HydrophobicContact CG1-CZ 4.02Å; F117-F224 HydrophobicContact CD1-CE2 4.31Å; F117-F224 AromaticContact CE1-CE2 3.49Å; F117-F224 HydrophobicContact CE1-CE2 3.49Å; F117-F224 VanDerWaalsContact CE1-CE2 3.49Å; F117-F224 HydrophobicContact CE1-CZ 4.08Å; F117-F224 AromaticContact CE2-CE2 3.99Å; F117-F224 HydrophobicContact CE2-CE2 3.99Å; F117-F224 AromaticContact CE2-CZ 3.79Å; F117-F224 HydrophobicContact CE2-CZ 3.79Å; F117-F224 AromaticContact CZ-CE2 3.3Å; F117-F224 HydrophobicContact CZ-CE2 3.3Å; F117-F224 AromaticContact CZ-CZ 3.38Å; F117-F224 HydrophobicContact CZ-CZ 3.38Å; T135-F224 HydrophobicContact CG2-CD1 3.28Å; T135-F224 HydrophobicContact CG2-CD2 3.95Å; T135-F224 HydrophobicContact CG2-CE1 3.18Å; T135-F224 HydrophobicContact CG2-CE2 3.86Å; T135-F224 HydrophobicContact CG2-CG 3.67Å; T135-F224 HydrophobicContact CG2-CZ 3.48Å; T135-F224 VanDerWaalsContact CG2-CZ 3.48Å; F224-G226 PolarHBondContact O-N 3.11Å; F224-G230 CarbonylContact O-C 3.57Å; F224-G230 WeakPolarHBondContact O-CA 3.39Å; F224-G231 PolarHBondContact O-N 3.19Å; F224-H263 HydrophobicContact CD1-CB 4.5Å; F224-H263 VanDerWaalsContact CD1-O 3.27Å; F224-H263 WeakPolarHBondContact CD1-O 3.44Å; F224-H263 HydrophobicContact CE1-CB 4.11Å; F224-H263 AromaticContact CE1-ND1 3.71Å; F224-L267 WeakPolarHBondContact CE1-O 3.46Å
225	P	88.1	Confident	84.6	Confident	7 Å²	7	29 Å²	29	5%	0.045	19%	0.193	C	C	.	.	S	Bend	trans	-47.5	130.4	177.7	-26.7	28.9	0	0	0	113.2	W139 A264	W139-P225 HydrophobicContact CD2-CB 3.98Å; W139-P225 HydrophobicContact CG-CB 4.11Å; W139-P225 HydrophobicContact CG-CG 4.47Å; W139-P225 HydrophobicContact CZ2-CB 4.26Å; P225-A264 WeakPolarHBondContact CD-O 3.26Å; P225-A264 VanDerWaalsContact CG-O 3.29Å; P225-A264 WeakPolarHBondContact CG-O 3.21Å
226	G	76.1	Confident	85.1	Confident	22 Å²	22	23.7 Å²	23.7	23%	0.227	16%	0.161	C	C	.	.			trans	171.7	174.2	-179.2	0	0	0	0	0	113.2	W139 F224 G230	W139-G226 WeakPolarHBondContact CH2-O 3.21Å; F224-G226 PolarHBondContact O-N 3.11Å; G226-G230 WeakPolarHBondContact O-CA 3.34Å
227	P	70	Confident	85.7	Confident	133 Å²	133	23.4 Å²	23.4	86%	0.864	16%	0.156	S	C	*	.	S	Bend	trans	-73.6	155.1	175.5	31.6	-35	0	0	0	111.9
228	G	73.6	Confident	86.1	Confident	61 Å²	61	25.5 Å²	25.5	63%	0.629	16%	0.163	S	C	*	.	S	Bend	trans	73.4	-123.3	179.9	0	0	0	0	0	110.3	G230	G228-G230 PolarHBondContact O-N 3.39Å
229	L	67.8	Low	86.5	Confident	90 Å²	90	25 Å²	25	47%	0.471	16%	0.161	S	C	.	.	S	Bend	trans	-68.3	1.5	178.5	-59.9	175.3	0	0	0	114.2	Y223 G231 D232	Y223-L229 WeakPolarHBondContact CB-O 3.3Å; Y223-L229 HydrophobicContact CD2-CB 4.34Å; Y223-L229 HydrophobicContact CG-CB 4.49Å; L229-G231 PolarHBondContact O-N 2.91Å; L229-D232 WeakPolarHBondContact CA-OD2 3.17Å; L229-D232 WeakPolarHBondContact CD2-OD2 3.36Å; L229-D232 WeakPolarHBondContact O-CB 3.4Å; L229-D232 PolarHBondContact O-N 2.83Å; L229-D232 VanDerWaalsContact O-N 3.16Å
230	G	76.3	Confident	86.4	Confident	8 Å²	8	27.6 Å²	27.6	8%	0.082	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	122.4	-176.4	0	0	0	0	0	111	W139 F224 G226 G228	W139-G230 VanDerWaalsContact CH2-O 3.25Å; W139-G230 WeakPolarHBondContact CH2-O 3.43Å; W139-G230 WeakPolarHBondContact CZ2-O 3.48Å; F224-G230 CarbonylContact O-C 3.57Å; F224-G230 WeakPolarHBondContact O-CA 3.39Å; G226-G230 WeakPolarHBondContact O-CA 3.34Å; G228-G230 PolarHBondContact O-N 3.39Å
231	G	83.4	Confident	86.4	Confident	0 Å²	0	28 Å²	28	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.8	-22	-172.3	0	0	0	0	0	113.9	I197 Y223 F224 L229 T233 A264	I197-G231 WeakPolarHBondContact CG2-O 3.33Å; Y223-G231 VanDerWaalsContact O-CA 3.23Å; Y223-G231 WeakPolarHBondContact O-CA 3.19Å; Y223-G231 PolarHBondContact O-N 2.95Å; F224-G231 PolarHBondContact O-N 3.19Å; L229-G231 PolarHBondContact O-N 2.91Å; G231-T233 PolarHBondContact O-N 2.86Å; G231-T233 PolarHBondContact O-OG1 2.95Å; G231-A264 WeakPolarHBondContact O-CB 3.22Å
232	D	85.4	Confident	86.6	Confident	11 Å²	11	28 Å²	28	6%	0.059	18%	0.18	C	C	.	.			trans	-61	138.2	-175.8	-71.1	-5.8	0	0	0	111.3	M198 A222 Y223 L229	M198-D232 VanDerWaalsContact CB-OD1 3.23Å; M198-D232 WeakPolarHBondContact CB-OD1 3.25Å; M198-D232 WeakPolarHBondContact CG-OD1 3.23Å; M198-D232 PolarHBondContact N-OD1 2.85Å; M198-D232 WeakPolarHBondContact O-CA 3.23Å; A222-D232 CarbonylContact C-O 3.54Å; A222-D232 VanDerWaalsContact CA-O 3.25Å; A222-D232 WeakPolarHBondContact CA-O 3.05Å; Y223-D232 HydrophobicContact CD2-CB 4.15Å; Y223-D232 PolarHBondContact N-O 2.68Å; L229-D232 WeakPolarHBondContact CA-OD2 3.17Å; L229-D232 WeakPolarHBondContact CD2-OD2 3.36Å; L229-D232 WeakPolarHBondContact O-CB 3.4Å; L229-D232 PolarHBondContact O-N 2.83Å; L229-D232 VanDerWaalsContact O-N 3.16Å
233	T	94.8	Very high	86.4	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.8	-172.9	-60.1	0	0	0	0	109.6	M198 V199 L200 A222 G231 F235 E260	M198-T233 PolarHBondContact O-N 2.95Å; V199-T233 WeakPolarHBondContact CA-O 3.32Å; L200-T233 PolarHBondContact N-O 3.48Å; A222-T233 HydrophobicContact CB-CG2 4.16Å; A222-T233 WeakPolarHBondContact CB-OG1 3.38Å; G231-T233 PolarHBondContact O-N 2.86Å; G231-T233 PolarHBondContact O-OG1 2.95Å; T233-F235 HydrophobicContact CG2-CD2 4.37Å; T233-F235 HydrophobicContact CG2-CE1 4.46Å; T233-F235 HydrophobicContact CG2-CE2 3.6Å; T233-F235 HydrophobicContact CG2-CZ 3.64Å; T233-E260 HydrophobicContact CG2-CB 3.43Å; T233-E260 VanDerWaalsContact CG2-CB 3.43Å; T233-E260 HydrophobicContact CG2-CG 4.16Å
234	H	91.4	Very high	86.3	Confident	9 Å²	9	30 Å²	30	4%	0.042	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.5	-177.3	-58.1	167.6	0	0	0	110.5	L200 H206 D208 F212 A220 H221	L200-H234 CarbonylContact O-C 3.58Å; L200-H234 VanDerWaalsContact O-CA 3.29Å; L200-H234 WeakPolarHBondContact O-CA 3.22Å; H206-H234 AromaticContact CD2-CE1 3.91Å; H206-H234 AromaticContact CD2-CG 3.93Å; H206-H234 AromaticContact CD2-ND1 3.26Å; H206-H234 PolarHBondContact CD2-ND1 2.99Å; H206-H234 VanDerWaalsContact CD2-ND1 3.26Å; H206-H234 AromaticContact NE2-CG 3.76Å; H206-H234 AromaticContact NE2-ND1 3.08Å; H206-H234 PolarHBondContact NE2-ND1 2.77Å; D208-H234 IonicContact OD2-CE1 2.68Å; D208-H234 PolarHBondContact OD2-CE1 3.23Å; D208-H234 VanDerWaalsContact OD2-CE1 3.27Å; D208-H234 IonicContact OD2-ND1 3.56Å; D208-H234 PolarHBondContact OD2-ND1 3.33Å; F212-H234 HydrophobicContact CE2-CB 4.26Å; F212-H234 HydrophobicContact CZ-CB 3.76Å; A220-H234 CarbonylContact C-O 3.52Å; A220-H234 VanDerWaalsContact CA-O 3.23Å; A220-H234 WeakPolarHBondContact CA-O 3.25Å; A220-H234 VanDerWaalsContact CB-O 3.23Å; A220-H234 WeakPolarHBondContact CB-O 3.41Å; H221-H234 AromaticContact CE1-ND1 3.94Å; H221-H234 PolarHBondContact N-O 3.38Å; H221-H234 AromaticContact NE2-CG 3.76Å; H221-H234 AromaticContact NE2-ND1 3.21Å; H221-H234 PolarHBondContact NE2-ND1 2.69Å; H221-H234 PolarHBondContact O-N 2.68Å
235	F	96.5	Very high	85.7	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.6	176.7	-62	-85.9	0	0	0	109.9	V199 L200 F201 A202 A220 T233 A237 W241 L253 V256 A257 E260	V199-F235 HydrophobicContact CG1-CD2 4Å; V199-F235 HydrophobicContact CG1-CE2 3.63Å; L200-F235 PolarHBondContact O-N 3.49Å; F201-F235 WeakPolarHBondContact CA-O 3.36Å; F201-F235 HydrophobicContact CD1-CB 3.57Å; F201-F235 HydrophobicContact CD1-CD2 4.39Å; F201-F235 HydrophobicContact CD1-CG 4.22Å; F201-F235 HydrophobicContact CE1-CB 3.69Å; F201-F235 AromaticContact CE1-CD2 3.97Å; F201-F235 HydrophobicContact CE1-CD2 3.97Å; F201-F235 AromaticContact CE1-CG 3.87Å; F201-F235 HydrophobicContact CE1-CG 3.87Å; F201-F235 HydrophobicContact CE2-CD2 4.37Å; F201-F235 HydrophobicContact CG-CB 4.3Å; F201-F235 AromaticContact CZ-CD2 3.94Å; F201-F235 HydrophobicContact CZ-CD2 3.94Å; F201-F235 HydrophobicContact CZ-CE2 4.5Å; F201-F235 HydrophobicContact CZ-CG 4.3Å; A202-F235 PolarHBondContact N-O 2.71Å; A220-F235 HydrophobicContact CB-CD1 3.71Å; A220-F235 HydrophobicContact CB-CE1 4.22Å; A220-F235 HydrophobicContact CB-CG 4.38Å; T233-F235 HydrophobicContact CG2-CD2 4.37Å; T233-F235 HydrophobicContact CG2-CE1 4.46Å; T233-F235 HydrophobicContact CG2-CE2 3.6Å; T233-F235 HydrophobicContact CG2-CZ 3.64Å; F235-A237 PolarHBondContact O-N 3.43Å; F235-W241 HydrophobicContact CB-CZ2 3.94Å; F235-W241 AromaticContact CD1-CH2 3.98Å; F235-W241 HydrophobicContact CD1-CH2 3.98Å; F235-W241 HydrophobicContact CD1-CZ2 4.23Å; F235-L253 HydrophobicContact CD1-CD1 3.68Å; F235-L253 HydrophobicContact CE1-CD1 3.87Å; F235-L253 HydrophobicContact CG-CD1 4.12Å; F235-L253 HydrophobicContact CZ-CD1 4.44Å; F235-V256 HydrophobicContact CD1-CG1 4.16Å; F235-V256 HydrophobicContact CE1-CB 4.43Å; F235-V256 HydrophobicContact CE1-CG1 4.01Å; F235-A257 HydrophobicContact CE1-CB 3.94Å; F235-A257 HydrophobicContact CZ-CB 3.64Å; F235-E260 HydrophobicContact CE1-CG 4.22Å
236	D	95.3	Very high	84.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	115.3	176	-171.6	-9.2	0	0	0	110.1	A202 F212 G214 L219 D238 E239 W241	A202-D236 CarbonylContact O-C 3.46Å; A202-D236 WeakPolarHBondContact O-CA 3.19Å; F212-D236 HydrophobicContact CB-CB 4.11Å; F212-D236 WeakPolarHBondContact CB-OD2 3.39Å; F212-D236 HydrophobicContact CD1-CB 3.72Å; F212-D236 HydrophobicContact CD2-CB 3.89Å; F212-D236 HydrophobicContact CE1-CB 4.04Å; F212-D236 HydrophobicContact CE2-CB 4.2Å; F212-D236 HydrophobicContact CG-CB 3.65Å; F212-D236 HydrophobicContact CZ-CB 4.29Å; G214-D236 PolarHBondContact N-OD2 3Å; L219-D236 WeakPolarHBondContact O-CB 3.25Å; L219-D236 PolarHBondContact O-N 3.11Å; D236-D238 PolarHBondContact O-N 3.45Å; D236-D238 WeakPolarHBondContact OD1-CB 3.32Å; D236-D238 PolarHBondContact OD1-N 3.3Å; D236-E239 HydrophobicContact CB-CG 3.94Å; D236-E239 PolarHBondContact O-N 2.75Å; D236-W241 VanDerWaalsContact O-CE2 3.32Å; D236-W241 WeakPolarHBondContact O-CZ2 3.49Å; D236-W241 PolarHBondContact O-NE1 2.88Å
237	A	93.4	Very high	84.9	Confident	23 Å²	23	36 Å²	36	19%	0.19	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.2	179.1	0	0	0	0	0	113	K154 F201 A202 F235	K154-A237 PolarHBondContact NZ-O 3.44Å; F201-A237 HydrophobicContact CB-CB 4.48Å; A202-A237 PolarHBondContact O-N 2.72Å; F235-A237 PolarHBondContact O-N 3.43Å
238	D	92.6	Very high	85.3	Confident	60 Å²	60	31 Å²	31	32%	0.321	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.8	-179.4	-66.1	-17.6	0	0	0	113.4	K154 S203 T215 D236	K154-D238 VanDerWaalsContact NZ-CA 3.34Å; K154-D238 PolarHBondContact NZ-O 2.82Å; S203-D238 WeakPolarHBondContact CB-OD1 3.35Å; S203-D238 WeakPolarHBondContact CB-OD2 3.3Å; S203-D238 VanDerWaalsContact OG-CG 3.26Å; S203-D238 PolarHBondContact OG-OD1 3.17Å; T215-D238 PolarHBondContact OG1-O 3.05Å; D236-D238 PolarHBondContact O-N 3.45Å; D236-D238 WeakPolarHBondContact OD1-CB 3.32Å; D236-D238 PolarHBondContact OD1-N 3.3Å
239	E	93.9	Very high	85.5	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.005	20%	0.203	C	C	.	.	S	Bend	trans	-70.4	146	176.5	-71.5	-67.2	168.5	0	0	113.4	K154 G216 L219 D236 W241 N251	K154-E239 WeakPolarHBondContact CD-O 3.16Å; K154-E239 WeakPolarHBondContact CE-O 3.28Å; K154-E239 PolarHBondContact NZ-O 2.86Å; G216-E239 WeakPolarHBondContact CA-OE1 3.47Å; G216-E239 PolarHBondContact N-OE1 3.06Å; G216-E239 PolarHBondContact N-OE2 3.05Å; L219-E239 HydrophobicContact CD2-CG 3.83Å; L219-E239 VanDerWaalsContact CD2-OE1 3.3Å; L219-E239 WeakPolarHBondContact CD2-OE1 3.3Å; L219-E239 WeakPolarHBondContact CD2-OE2 3.45Å; D236-E239 HydrophobicContact CB-CG 3.94Å; D236-E239 PolarHBondContact O-N 2.75Å; E239-W241 HydrophobicContact CB-CD2 4.25Å; E239-W241 HydrophobicContact CB-CZ2 3.86Å; E239-W241 HydrophobicContact CG-CZ2 4.25Å; E239-W241 VanDerWaalsContact O-CD1 3.3Å; E239-W241 PolarHBondContact O-N 3.3Å; E239-N251 PolarHBondContact OE2-ND2 2.96Å
240	P	91.9	Very high	86.3	Confident	56 Å²	56	32.7 Å²	32.7	36%	0.364	18%	0.184	S	C	.	.			trans	-77	76.8	176.7	32.2	-29.3	0	0	0	109.2	T242 G250 N251	P240-T242 PolarHBondContact O-N 3.36Å; P240-G250 CarbonylContact O-C 3.26Å; P240-G250 WeakPolarHBondContact O-CA 3.38Å; P240-N251 PolarHBondContact O-N 3.02Å
241	W	94.3	Very high	87	Confident	10 Å²	10	32.9 Å²	32.9	4%	0.038	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132	-178.2	-67	110.2	0	0	0	112.3	T152 L155 L219 F235 D236 E239 N251 L253 V256	T152-W241 HydrophobicContact CG2-CB 4.23Å; T152-W241 HydrophobicContact CG2-CG 4.2Å; L155-W241 HydrophobicContact CD1-CB 3.84Å; L155-W241 VanDerWaalsContact CD2-O 3.27Å; L155-W241 WeakPolarHBondContact CD2-O 3.37Å; L155-W241 HydrophobicContact CG-CB 3.98Å; L219-W241 HydrophobicContact CB-CH2 4.43Å; F235-W241 HydrophobicContact CB-CZ2 3.94Å; F235-W241 AromaticContact CD1-CH2 3.98Å; F235-W241 HydrophobicContact CD1-CH2 3.98Å; F235-W241 HydrophobicContact CD1-CZ2 4.23Å; D236-W241 VanDerWaalsContact O-CE2 3.32Å; D236-W241 WeakPolarHBondContact O-CZ2 3.49Å; D236-W241 PolarHBondContact O-NE1 2.88Å; E239-W241 HydrophobicContact CB-CD2 4.25Å; E239-W241 HydrophobicContact CB-CZ2 3.86Å; E239-W241 HydrophobicContact CG-CZ2 4.25Å; E239-W241 VanDerWaalsContact O-CD1 3.3Å; E239-W241 PolarHBondContact O-N 3.3Å; W241-N251 CarbonylContact C-O 3.54Å; W241-N251 WeakPolarHBondContact CA-O 3.48Å; W241-N251 HydrophobicContact CE3-CB 4.31Å; W241-N251 HydrophobicContact CZ3-CB 4.2Å; W241-L253 HydrophobicContact CD2-CB 4.32Å; W241-L253 HydrophobicContact CD2-CD1 4.09Å; W241-L253 HydrophobicContact CE3-CB 3.7Å; W241-L253 HydrophobicContact CE3-CD1 3.79Å; W241-L253 HydrophobicContact CE3-CG 4.33Å; W241-L253 HydrophobicContact CH2-CD1 4.27Å; W241-L253 HydrophobicContact CZ3-CB 4.31Å; W241-L253 HydrophobicContact CZ3-CD1 3.88Å; W241-V256 HydrophobicContact CH2-CB 4.15Å; W241-V256 HydrophobicContact CH2-CG1 4Å; W241-V256 HydrophobicContact CH2-CG2 4.21Å; W241-V256 HydrophobicContact CZ3-CB 3.89Å; W241-V256 HydrophobicContact CZ3-CG1 4.26Å; W241-V256 HydrophobicContact CZ3-CG2 3.76Å
242	T	92.9	Very high	87.6	Confident	6 Å²	6	32.9 Å²	32.9	4%	0.037	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	155.3	172.7	71	0	0	0	0	110.5	P240 D247 N251 N252 L253	P240-T242 PolarHBondContact O-N 3.36Å; T242-D247 HydrophobicContact CG2-CB 3.99Å; T242-D247 VanDerWaalsContact CG2-CG 3.48Å; T242-D247 VanDerWaalsContact CG2-OD2 3.27Å; T242-D247 WeakPolarHBondContact CG2-OD2 2.91Å; T242-D247 PolarHBondContact OG1-O 2.92Å; T242-N251 PolarHBondContact N-O 3.43Å; T242-N252 WeakPolarHBondContact O-CA 2.93Å; T242-N252 WeakPolarHBondContact OG1-CA 3.42Å; T242-L253 PolarHBondContact O-N 3.13Å
243	F	88.1	Confident	88.1	Confident	55 Å²	55	32.4 Å²	32.4	24%	0.241	18%	0.181	C	C	.	.			trans	-116.2	-38.4	175.6	-178.9	-100.3	0	0	0	112	L155 H159 E162 A163 N252	L155-F243 HydrophobicContact CD1-CB 4.31Å; L155-F243 HydrophobicContact CD2-CB 4.03Å; H159-F243 HydrophobicContact CB-CB 4.18Å; H159-F243 HydrophobicContact CB-CD1 4.4Å; H159-F243 HydrophobicContact CB-CD2 4.1Å; H159-F243 HydrophobicContact CB-CG 3.97Å; H159-F243 AromaticContact CE1-CD1 3.83Å; H159-F243 AromaticContact CE1-CE1 3.97Å; H159-F243 AromaticContact ND1-CD1 3.16Å; H159-F243 WeakPolarHBondContact ND1-CD1 2.8Å; H159-F243 AromaticContact ND1-CE1 3.33Å; H159-F243 VanDerWaalsContact ND1-CE1 3.33Å; H159-F243 WeakPolarHBondContact ND1-CE1 3.09Å; H159-F243 AromaticContact ND1-CG 3.64Å; H159-F243 AromaticContact ND1-CZ 3.94Å; H159-F243 WeakPolarHBondContact O-CD2 3.4Å; E162-F243 HydrophobicContact CB-CE2 4.29Å; E162-F243 HydrophobicContact CB-CZ 4.35Å; E162-F243 HydrophobicContact CG-CE2 4.28Å; E162-F243 HydrophobicContact CG-CZ 3.98Å; A163-F243 HydrophobicContact CB-CD2 4Å; A163-F243 HydrophobicContact CB-CE2 4.04Å; F243-N252 PolarHBondContact O-ND2 3.46Å
244	S	79.8	Confident	88.2	Confident	49 Å²	49	32.4 Å²	32.4	34%	0.343	18%	0.181	S	C	.	.	S	Bend	trans	-73.6	152.3	-177.3	-173.8	0	0	0	0	112.7	T246	S244-T246 WeakPolarHBondContact CB-OG1 3.29Å; S244-T246 PolarHBondContact O-N 2.77Å; S244-T246 PolarHBondContact OG-N 3.14Å; S244-T246 VanDerWaalsContact OG-N 3.1Å; S244-T246 PolarHBondContact OG-OG1 2.96Å
245	S	74.2	Confident	88.4	Confident	25 Å²	25	32.1 Å²	32.1	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	-66.7	-19.3	165.8	48.8	0	0	0	0	113	L248 D287	S245-L248 WeakPolarHBondContact O-CD2 3.12Å; S245-D287 WeakPolarHBondContact CB-OD2 3.19Å; S245-D287 PolarHBondContact OG-OD2 3.49Å
246	T	69.6	Low	88.4	Confident	90 Å²	90	32.3 Å²	32.3	55%	0.552	18%	0.181	S	C	*	.	S	Bend	trans	-86.1	-24	-175.2	61.4	0	0	0	0	114.2	S244	S244-T246 WeakPolarHBondContact CB-OG1 3.29Å; S244-T246 PolarHBondContact O-N 2.77Å; S244-T246 PolarHBondContact OG-N 3.14Å; S244-T246 VanDerWaalsContact OG-N 3.1Å; S244-T246 PolarHBondContact OG-OG1 2.96Å
247	D	77.5	Confident	88.5	Confident	69 Å²	69	32.3 Å²	32.3	37%	0.369	18%	0.181	S	C	.	.			trans	-96.1	97.6	178.7	-172.7	1	0	0	0	110.2	T242 H249	T242-D247 HydrophobicContact CG2-CB 3.99Å; T242-D247 VanDerWaalsContact CG2-CG 3.48Å; T242-D247 VanDerWaalsContact CG2-OD2 3.27Å; T242-D247 WeakPolarHBondContact CG2-OD2 2.91Å; T242-D247 PolarHBondContact OG1-O 2.92Å; D247-H249 PolarHBondContact OD1-N 3.05Å
248	L	77.9	Confident	88.7	Confident	26 Å²	26	31.2 Å²	31.2	14%	0.136	17%	0.172	C	C	.	.			trans	-96.2	-1.8	-176	-57.2	176.2	0	0	0	113.3	S245 G250 W283 R413 L446	S245-L248 WeakPolarHBondContact O-CD2 3.12Å; L248-G250 VanDerWaalsContact C-N 3.34Å; L248-W283 HydrophobicContact CD2-CD2 4.28Å; L248-W283 HydrophobicContact CD2-CG 4.34Å; L248-W283 HydrophobicContact CD2-CZ2 4.18Å; L248-W283 VanDerWaalsContact CD2-NE1 3.31Å; L248-R413 HydrophobicContact CD1-CB 4.42Å; L248-R413 WeakPolarHBondContact CD1-O 3.48Å; L248-L446 HydrophobicContact CD1-CB 3.75Å; L248-L446 HydrophobicContact CD1-CD2 3.46Å; L248-L446 VanDerWaalsContact CD1-CD2 3.46Å; L248-L446 HydrophobicContact CD1-CG 4.23Å
249	H	77.7	Confident	88.9	Confident	180 Å²	180	29 Å²	29	83%	0.833	16%	0.159	S	C	*	.	S	Bend	trans	-80.9	-18.1	-177	-69.2	-64.7	0	0	0	112.8	D247	D247-H249 PolarHBondContact OD1-N 3.05Å
250	G	85.5	Confident	89.1	Confident	7 Å²	7	29 Å²	29	7%	0.072	16%	0.159	C	C	.	.	S	Bend	trans	-119.4	-172	177.9	0	0	0	0	0	114.8	P240 L248	P240-G250 CarbonylContact O-C 3.26Å; P240-G250 WeakPolarHBondContact O-CA 3.38Å; L248-G250 VanDerWaalsContact C-N 3.34Å
251	N	91.6	Very high	89.4	Confident	13 Å²	13	26.4 Å²	26.4	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	123.9	-177.4	-62.1	-51.8	0	0	0	109.6	L219 E239 P240 W241 T242 L253	L219-N251 HydrophobicContact CD1-CB 4.28Å; L219-N251 HydrophobicContact CD2-CB 4.36Å; L219-N251 WeakPolarHBondContact CD2-ND2 3.44Å; E239-N251 PolarHBondContact OE2-ND2 2.96Å; P240-N251 PolarHBondContact O-N 3.02Å; W241-N251 CarbonylContact C-O 3.54Å; W241-N251 WeakPolarHBondContact CA-O 3.48Å; W241-N251 HydrophobicContact CE3-CB 4.31Å; W241-N251 HydrophobicContact CZ3-CB 4.2Å; T242-N251 PolarHBondContact N-O 3.43Å; N251-L253 PolarHBondContact O-N 3.46Å
252	N	94.4	Very high	89.5	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116	-176.7	-172	-74.8	0	0	0	110.2	T242 F243 F254 L255 V256 Y281	T242-N252 WeakPolarHBondContact O-CA 2.93Å; T242-N252 WeakPolarHBondContact OG1-CA 3.42Å; F243-N252 PolarHBondContact O-ND2 3.46Å; N252-F254 VanDerWaalsContact C-N 3.27Å; N252-F254 PolarHBondContact O-N 2.74Å; N252-F254 WeakPolarHBondContact OD1-CB 3.25Å; N252-F254 PolarHBondContact OD1-N 3.11Å; N252-F254 VanDerWaalsContact OD1-N 3.09Å; N252-L255 HydrophobicContact CB-CB 4.4Å; N252-L255 HydrophobicContact CB-CD1 4.07Å; N252-L255 HydrophobicContact CB-CG 4.15Å; N252-L255 PolarHBondContact O-N 3.34Å; N252-L255 VanDerWaalsContact O-N 3.14Å; N252-L255 PolarHBondContact OD1-N 3.22Å; N252-V256 PolarHBondContact O-N 2.85Å; N252-Y281 WeakPolarHBondContact CB-OH 3.39Å; N252-Y281 PolarHBondContact N-OH 3.1Å
253	L	96.2	Very high	89.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-35.6	-174.3	177.6	59.5	0	0	0	112.4	T152 L155 A163 F201 F235 W241 T242 N251 A257	T152-L253 HydrophobicContact CG2-CD2 4.38Å; L155-L253 HydrophobicContact CD1-CB 3.96Å; L155-L253 HydrophobicContact CD1-CD2 3.77Å; A163-L253 HydrophobicContact CB-CB 4.16Å; A163-L253 HydrophobicContact CB-CD2 3.85Å; A163-L253 HydrophobicContact CB-CG 3.83Å; F201-L253 HydrophobicContact CE1-CD1 3.66Å; F201-L253 HydrophobicContact CE1-CD2 3.82Å; F201-L253 HydrophobicContact CE1-CG 4.4Å; F201-L253 HydrophobicContact CZ-CD1 4Å; F201-L253 HydrophobicContact CZ-CD2 3.78Å; F201-L253 HydrophobicContact CZ-CG 4.49Å; F235-L253 HydrophobicContact CD1-CD1 3.68Å; F235-L253 HydrophobicContact CE1-CD1 3.87Å; F235-L253 HydrophobicContact CG-CD1 4.12Å; F235-L253 HydrophobicContact CZ-CD1 4.44Å; W241-L253 HydrophobicContact CD2-CB 4.32Å; W241-L253 HydrophobicContact CD2-CD1 4.09Å; W241-L253 HydrophobicContact CE3-CB 3.7Å; W241-L253 HydrophobicContact CE3-CD1 3.79Å; W241-L253 HydrophobicContact CE3-CG 4.33Å; W241-L253 HydrophobicContact CH2-CD1 4.27Å; W241-L253 HydrophobicContact CZ3-CB 4.31Å; W241-L253 HydrophobicContact CZ3-CD1 3.88Å; T242-L253 PolarHBondContact O-N 3.13Å; N251-L253 PolarHBondContact O-N 3.46Å; L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 2.99Å
254	F	96.6	Very high	89.9	Confident	1 Å²	1	23 Å²	23	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-43	178.2	161	-105.8	0	0	0	111.5	A163 R166 A167 V170 N252 A257 V258 V286 F289	A163-F254 HydrophobicContact CB-CB 4.17Å; R166-F254 HydrophobicContact CB-CD2 3.83Å; R166-F254 HydrophobicContact CB-CE2 3.93Å; R166-F254 HydrophobicContact CG-CD2 3.82Å; R166-F254 HydrophobicContact CG-CE2 3.5Å; R166-F254 HydrophobicContact CG-CZ 4.23Å; A167-F254 HydrophobicContact CB-CD2 4.27Å; A167-F254 HydrophobicContact CB-CE2 4.47Å; V170-F254 HydrophobicContact CG2-CE2 3.81Å; V170-F254 HydrophobicContact CG2-CZ 3.78Å; N252-F254 VanDerWaalsContact C-N 3.27Å; N252-F254 PolarHBondContact O-N 2.74Å; N252-F254 WeakPolarHBondContact OD1-CB 3.25Å; N252-F254 PolarHBondContact OD1-N 3.11Å; N252-F254 VanDerWaalsContact OD1-N 3.09Å; F254-A257 PolarHBondContact O-N 3.41Å; F254-V258 HydrophobicContact CD2-CG2 4.04Å; F254-V258 HydrophobicContact CE2-CG2 3.59Å; F254-V258 HydrophobicContact CZ-CG2 3.89Å; F254-V258 VanDerWaalsContact O-CG2 3.3Å; F254-V258 WeakPolarHBondContact O-CG2 3.32Å; F254-V258 PolarHBondContact O-N 2.98Å; F254-V286 HydrophobicContact CD1-CB 4.22Å; F254-V286 HydrophobicContact CD1-CG1 3.97Å; F254-V286 HydrophobicContact CE1-CG1 4.48Å; F254-F289 HydrophobicContact CE1-CB 3.87Å; F254-F289 HydrophobicContact CE1-CD1 4.15Å; F254-F289 HydrophobicContact CE1-CD2 4.05Å; F254-F289 AromaticContact CE1-CG 3.75Å; F254-F289 HydrophobicContact CE1-CG 3.75Å; F254-F289 HydrophobicContact CZ-CB 4.17Å; F254-F289 AromaticContact CZ-CD1 3.87Å; F254-F289 HydrophobicContact CZ-CD1 3.87Å; F254-F289 HydrophobicContact CZ-CE1 4.45Å; F254-F289 AromaticContact CZ-CG 3.94Å; F254-F289 HydrophobicContact CZ-CG 3.94Å
255	L	95.8	Very high	90.6	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	11%	0.111	C	C	.	.	H	α-helix	trans	-65.7	-44	179	-65.2	-179.8	0	0	0	112.2	N252 V258 H259 Y281 K284 V286 F289	N252-L255 HydrophobicContact CB-CB 4.4Å; N252-L255 HydrophobicContact CB-CD1 4.07Å; N252-L255 HydrophobicContact CB-CG 4.15Å; N252-L255 PolarHBondContact O-N 3.34Å; N252-L255 VanDerWaalsContact O-N 3.14Å; N252-L255 PolarHBondContact OD1-N 3.22Å; L255-V258 PolarHBondContact O-N 3.45Å; L255-H259 PolarHBondContact O-N 2.93Å; L255-H259 VanDerWaalsContact O-N 3.16Å; L255-Y281 HydrophobicContact CB-CE2 4.19Å; L255-Y281 HydrophobicContact CD1-CE2 4.34Å; L255-K284 HydrophobicContact CD1-CB 4.39Å; L255-K284 HydrophobicContact CD2-CB 4.13Å; L255-V286 HydrophobicContact CD1-CG1 4.04Å; L255-V286 HydrophobicContact CD2-CG1 3.92Å; L255-V286 HydrophobicContact CG-CG1 3.8Å; L255-F289 HydrophobicContact CD2-CD2 3.67Å; L255-F289 HydrophobicContact CD2-CE2 3.58Å
256	V	97	Very high	91.4	Very high	5 Å²	5	19.6 Å²	19.6	3%	0.03	10%	0.103	C	C	.	.	H	α-helix	trans	-65.3	-42.7	176.6	-177.4	0	0	0	0	110.1	L219 A220 F235 W241 N252 V258 H259 E260 Y281	L219-V256 HydrophobicContact CB-CG1 4.32Å; L219-V256 HydrophobicContact CD1-CG2 3.79Å; A220-V256 HydrophobicContact CB-CG1 3.58Å; F235-V256 HydrophobicContact CD1-CG1 4.16Å; F235-V256 HydrophobicContact CE1-CB 4.43Å; F235-V256 HydrophobicContact CE1-CG1 4.01Å; W241-V256 HydrophobicContact CH2-CB 4.15Å; W241-V256 HydrophobicContact CH2-CG1 4Å; W241-V256 HydrophobicContact CH2-CG2 4.21Å; W241-V256 HydrophobicContact CZ3-CB 3.89Å; W241-V256 HydrophobicContact CZ3-CG1 4.26Å; W241-V256 HydrophobicContact CZ3-CG2 3.76Å; N252-V256 PolarHBondContact O-N 2.85Å; V256-V258 VanDerWaalsContact C-N 3.34Å; V256-V258 PolarHBondContact O-N 3.11Å; V256-H259 WeakPolarHBondContact O-CB 3.31Å; V256-H259 PolarHBondContact O-N 3.1Å; V256-H259 VanDerWaalsContact O-N 3.09Å; V256-E260 HydrophobicContact CG1-CG 4.05Å; V256-E260 WeakPolarHBondContact O-CG 2.96Å; V256-E260 PolarHBondContact O-N 2.73Å; V256-Y281 HydrophobicContact CG2-CD2 3.81Å; V256-Y281 HydrophobicContact CG2-CE2 3.97Å
257	A	97.8	Very high	92.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.5	-39	176.5	0	0	0	0	0	112.9	A167 F235 L253 F254 H259 L261	A167-A257 HydrophobicContact CB-CB 3.65Å; F235-A257 HydrophobicContact CE1-CB 3.94Å; F235-A257 HydrophobicContact CZ-CB 3.64Å; L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 2.99Å; F254-A257 PolarHBondContact O-N 3.41Å; A257-H259 VanDerWaalsContact C-N 3.32Å; A257-H259 PolarHBondContact O-N 3.35Å; A257-L261 VanDerWaalsContact O-CB 3.25Å; A257-L261 WeakPolarHBondContact O-CB 3.2Å; A257-L261 WeakPolarHBondContact O-CG 3.2Å; A257-L261 PolarHBondContact O-N 2.74Å
258	V	97.8	Very high	93	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.3	-43.3	173.9	175.9	0	0	0	0	110.6	A167 V170 W171 F254 L255 V256 G262 I276 F289 L291	A167-V258 HydrophobicContact CB-CB 4.47Å; A167-V258 HydrophobicContact CB-CG2 3.67Å; V170-V258 HydrophobicContact CB-CG2 4.34Å; V170-V258 HydrophobicContact CG1-CG1 4.05Å; V170-V258 HydrophobicContact CG1-CG2 4.39Å; V170-V258 HydrophobicContact CG2-CG2 4.22Å; W171-V258 HydrophobicContact CZ2-CG1 4.02Å; W171-V258 VanDerWaalsContact CZ2-O 3.27Å; W171-V258 WeakPolarHBondContact CZ2-O 3.27Å; W171-V258 PolarHBondContact NE1-O 2.75Å; F254-V258 HydrophobicContact CD2-CG2 4.04Å; F254-V258 HydrophobicContact CE2-CG2 3.59Å; F254-V258 HydrophobicContact CZ-CG2 3.89Å; F254-V258 VanDerWaalsContact O-CG2 3.3Å; F254-V258 WeakPolarHBondContact O-CG2 3.32Å; F254-V258 PolarHBondContact O-N 2.98Å; L255-V258 PolarHBondContact O-N 3.45Å; V256-V258 VanDerWaalsContact C-N 3.34Å; V256-V258 PolarHBondContact O-N 3.11Å; V258-G262 PolarHBondContact O-N 2.84Å; V258-G262 VanDerWaalsContact O-N 3.16Å; V258-I276 HydrophobicContact CB-CG1 4.23Å; V258-I276 HydrophobicContact CG1-CG1 3.85Å; V258-I276 HydrophobicContact CG1-CG2 4.12Å; V258-F289 HydrophobicContact CG1-CE1 4.27Å; V258-F289 HydrophobicContact CG1-CZ 4.09Å; V258-L291 HydrophobicContact CG1-CD2 4.23Å
259	H	97.4	Very high	93.6	Very high	12 Å²	12	13.3 Å²	13.3	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-60.2	-56.3	176.5	-179	107.9	0	0	0	111.8	C111 L255 V256 A257 L261 G262 H263 H269 I276 M277 A278	C111-H259 VanDerWaalsContact CB-NE2 3.26Å; C111-H259 WeakPolarHBondContact CB-NE2 3.33Å; L255-H259 PolarHBondContact O-N 2.93Å; L255-H259 VanDerWaalsContact O-N 3.16Å; V256-H259 WeakPolarHBondContact O-CB 3.31Å; V256-H259 PolarHBondContact O-N 3.1Å; V256-H259 VanDerWaalsContact O-N 3.09Å; A257-H259 VanDerWaalsContact C-N 3.32Å; A257-H259 PolarHBondContact O-N 3.35Å; H259-L261 VanDerWaalsContact C-N 3.32Å; H259-L261 PolarHBondContact O-N 3.42Å; H259-G262 WeakPolarHBondContact O-CA 3.46Å; H259-G262 PolarHBondContact O-N 2.85Å; H259-H263 AromaticContact CD2-CD2 3.82Å; H259-H263 AromaticContact CD2-NE2 3.74Å; H259-H263 AromaticContact NE2-CD2 3.75Å; H259-H263 AromaticContact NE2-NE2 3.16Å; H259-H263 PolarHBondContact NE2-NE2 2.85Å; H259-H263 VanDerWaalsContact NE2-NE2 3.16Å; H259-H263 PolarHBondContact O-N 2.73Å; H259-H269 AromaticContact CE1-CD2 3.67Å; H259-H269 AromaticContact CE1-NE2 3.65Å; H259-H269 AromaticContact NE2-CD2 3.56Å; H259-H269 AromaticContact NE2-NE2 3.25Å; H259-H269 PolarHBondContact NE2-NE2 2.7Å; H259-I276 HydrophobicContact CB-CG1 4.31Å; H259-I276 PolarHBondContact ND1-O 3.1Å; H259-M277 WeakPolarHBondContact O-CE 3.45Å; H259-A278 PolarHBondContact CE1-O 3.49Å; H259-A278 PolarHBondContact ND1-O 3.33Å
260	E	97.3	Very high	94.1	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.009	3%	0.028	C	C	.	.	H	α-helix	trans	-64.1	-38.3	-175.7	-60.1	-48.9	142.1	0	0	112.2	C111 A220 H221 A222 T233 F235 V256 G262 H263 A264	C111-E260 PolarHBondContact SG-OE1 2.88Å; C111-E260 PolarHBondContact SG-OE2 3.49Å; C111-E260 VanDerWaalsContact SG-OE2 3.32Å; A220-E260 HydrophobicContact CB-CG 3.53Å; H221-E260 WeakPolarHBondContact CA-OE2 3.25Å; A222-E260 HydrophobicContact CB-CB 3.97Å; A222-E260 WeakPolarHBondContact CB-O 3.37Å; A222-E260 PolarHBondContact N-OE2 3.39Å; A222-E260 VanDerWaalsContact N-OE2 3.12Å; T233-E260 HydrophobicContact CG2-CB 3.43Å; T233-E260 VanDerWaalsContact CG2-CB 3.43Å; T233-E260 HydrophobicContact CG2-CG 4.16Å; F235-E260 HydrophobicContact CE1-CG 4.22Å; V256-E260 HydrophobicContact CG1-CG 4.05Å; V256-E260 WeakPolarHBondContact O-CG 2.96Å; V256-E260 PolarHBondContact O-N 2.73Å; E260-G262 PolarHBondContact O-N 3.13Å; E260-H263 WeakPolarHBondContact O-CA 3.32Å; E260-H263 VanDerWaalsContact O-CB 3.32Å; E260-H263 WeakPolarHBondContact O-CB 3.29Å; E260-H263 PolarHBondContact O-N 3.08Å; E260-H263 IonicContact OE2-CD2 3.18Å; E260-A264 PolarHBondContact O-N 2.86Å
261	L	97.6	Very high	93.9	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	4%	0.04	C	C	.	.	H	α-helix	trans	-64.4	-27.3	173.4	-68.8	179	0	0	0	112.1	A167 F168 I197 A257 H259 H263 A264 L265	A167-L261 HydrophobicContact CB-CD1 3.7Å; F168-L261 HydrophobicContact CD1-CD1 3.94Å; F168-L261 HydrophobicContact CD1-CD2 4.5Å; F168-L261 HydrophobicContact CD2-CD1 3.79Å; F168-L261 HydrophobicContact CE1-CD1 4Å; F168-L261 HydrophobicContact CE1-CD2 3.74Å; F168-L261 HydrophobicContact CE1-CG 4.49Å; F168-L261 HydrophobicContact CE2-CD1 3.83Å; F168-L261 HydrophobicContact CE2-CD2 3.98Å; F168-L261 HydrophobicContact CG-CD1 3.85Å; F168-L261 HydrophobicContact CZ-CD1 3.94Å; F168-L261 HydrophobicContact CZ-CD2 3.44Å; F168-L261 VanDerWaalsContact CZ-CD2 3.44Å; F168-L261 HydrophobicContact CZ-CG 4.36Å; I197-L261 HydrophobicContact CG2-CD2 4.18Å; A257-L261 VanDerWaalsContact O-CB 3.25Å; A257-L261 WeakPolarHBondContact O-CB 3.2Å; A257-L261 WeakPolarHBondContact O-CG 3.2Å; A257-L261 PolarHBondContact O-N 2.74Å; H259-L261 VanDerWaalsContact C-N 3.32Å; H259-L261 PolarHBondContact O-N 3.42Å; L261-H263 VanDerWaalsContact C-N 3.31Å; L261-H263 PolarHBondContact O-N 3.25Å; L261-A264 HydrophobicContact CD2-CB 4.35Å; L261-A264 PolarHBondContact O-N 2.67Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 2.95Å
262	G	96.1	Very high	93.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-60.2	-41.1	169.7	0	0	0	0	0	112.2	V258 H259 E260 L265 G266 L267	V258-G262 PolarHBondContact O-N 2.84Å; V258-G262 VanDerWaalsContact O-N 3.16Å; H259-G262 WeakPolarHBondContact O-CA 3.46Å; H259-G262 PolarHBondContact O-N 2.85Å; E260-G262 PolarHBondContact O-N 3.13Å; G262-L265 CarbonylContact O-C 3.55Å; G262-L265 PolarHBondContact O-N 3.32Å; G262-G266 PolarHBondContact O-N 2.91Å; G262-G266 VanDerWaalsContact O-N 3.11Å; G262-L267 VanDerWaalsContact O-CB 3.31Å; G262-L267 WeakPolarHBondContact O-CB 3.39Å; G262-L267 PolarHBondContact O-N 3.35Å
263	H	94.2	Very high	92.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-45.4	171.1	-69	-45.6	0	0	0	112.2	A222 F224 H259 E260 L261 L265 G266 L267 H269 M277	A222-H263 HydrophobicContact CB-CB 3.89Å; F224-H263 HydrophobicContact CD1-CB 4.5Å; F224-H263 VanDerWaalsContact CD1-O 3.27Å; F224-H263 WeakPolarHBondContact CD1-O 3.44Å; F224-H263 HydrophobicContact CE1-CB 4.11Å; F224-H263 AromaticContact CE1-ND1 3.71Å; H259-H263 AromaticContact CD2-CD2 3.82Å; H259-H263 AromaticContact CD2-NE2 3.74Å; H259-H263 AromaticContact NE2-CD2 3.75Å; H259-H263 AromaticContact NE2-NE2 3.16Å; H259-H263 PolarHBondContact NE2-NE2 2.85Å; H259-H263 VanDerWaalsContact NE2-NE2 3.16Å; H259-H263 PolarHBondContact O-N 2.73Å; E260-H263 WeakPolarHBondContact O-CA 3.32Å; E260-H263 VanDerWaalsContact O-CB 3.32Å; E260-H263 WeakPolarHBondContact O-CB 3.29Å; E260-H263 PolarHBondContact O-N 3.08Å; E260-H263 IonicContact OE2-CD2 3.18Å; L261-H263 VanDerWaalsContact C-N 3.31Å; L261-H263 PolarHBondContact O-N 3.25Å; H263-L265 PolarHBondContact O-N 2.96Å; H263-L265 VanDerWaalsContact O-N 3.08Å; H263-G266 WeakPolarHBondContact O-CA 3.41Å; H263-G266 PolarHBondContact O-N 3.11Å; H263-L267 WeakPolarHBondContact CA-O 3.36Å; H263-L267 PolarHBondContact ND1-O 3.02Å; H263-H269 AromaticContact CE1-CD2 3.35Å; H263-H269 PolarHBondContact CE1-CD2 3.35Å; H263-H269 AromaticContact CE1-NE2 3.73Å; H263-H269 AromaticContact NE2-CD2 3.3Å; H263-H269 PolarHBondContact NE2-CD2 3.23Å; H263-H269 VanDerWaalsContact NE2-CD2 3.3Å; H263-H269 AromaticContact NE2-NE2 3.22Å; H263-H269 PolarHBondContact NE2-NE2 2.85Å; H263-M277 WeakPolarHBondContact CE1-CE 3.44Å; H263-M277 VanDerWaalsContact ND1-CE 3.35Å; H263-M277 WeakPolarHBondContact ND1-CE 3.24Å
264	A	95.1	Very high	92	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-57.4	-24.3	175.2	0	0	0	0	0	112.9	W139 I197 Y223 P225 G231 E260 L261	W139-A264 PolarHBondContact NE1-O 3.27Å; I197-A264 HydrophobicContact CD1-CB 4.24Å; I197-A264 HydrophobicContact CG1-CB 4.49Å; Y223-A264 WeakPolarHBondContact O-CA 3.39Å; P225-A264 WeakPolarHBondContact CD-O 3.26Å; P225-A264 VanDerWaalsContact CG-O 3.29Å; P225-A264 WeakPolarHBondContact CG-O 3.21Å; G231-A264 WeakPolarHBondContact O-CB 3.22Å; E260-A264 PolarHBondContact O-N 2.86Å; L261-A264 HydrophobicContact CD2-CB 4.35Å; L261-A264 PolarHBondContact O-N 2.67Å
265	L	95.3	Very high	91.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-7.4	175.1	-64.9	175.1	0	0	0	114.3	L144 W171 L177 F179 L261 G262 H263 I299 Y303	L144-L265 HydrophobicContact CD1-CD2 4.04Å; W171-L265 HydrophobicContact CB-CD1 3.64Å; W171-L265 HydrophobicContact CD2-CD1 3.89Å; W171-L265 HydrophobicContact CE3-CD1 4.37Å; W171-L265 HydrophobicContact CG-CD1 3.56Å; L177-L265 HydrophobicContact CD1-CD2 3.69Å; F179-L265 HydrophobicContact CE1-CD2 3.99Å; F179-L265 HydrophobicContact CZ-CD1 4.13Å; F179-L265 HydrophobicContact CZ-CD2 3.85Å; L261-L265 WeakPolarHBondContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.43Å; L261-L265 PolarHBondContact O-N 2.95Å; G262-L265 CarbonylContact O-C 3.55Å; G262-L265 PolarHBondContact O-N 3.32Å; H263-L265 PolarHBondContact O-N 2.96Å; H263-L265 VanDerWaalsContact O-N 3.08Å; L265-I299 HydrophobicContact CB-CD1 3.77Å; L265-I299 HydrophobicContact CD1-CD1 4.07Å; L265-Y303 HydrophobicContact CB-CE2 4.19Å; L265-Y303 VanDerWaalsContact O-CE2 3.29Å; L265-Y303 WeakPolarHBondContact O-CE2 3.14Å; L265-Y303 PolarHBondContact O-OH 2.87Å
266	G	90.1	Very high	91.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	109.8	3.7	171.3	0	0	0	0	0	116.2	T135 G262 H263	T135-G266 PolarHBondContact N-O 2.91Å; T135-G266 PolarHBondContact OG1-O 2.92Å; G262-G266 PolarHBondContact O-N 2.91Å; G262-G266 VanDerWaalsContact O-N 3.11Å; H263-G266 WeakPolarHBondContact O-CA 3.41Å; H263-G266 PolarHBondContact O-N 3.11Å
267	L	91.3	Very high	91.4	Very high	4 Å²	4	10.2 Å²	10.2	2%	0.021	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-75.2	137	173.9	-57.4	179.1	0	0	0	110.6	L134 W171 F224 G262 H263 M277 I299 L302	L134-L267 HydrophobicContact CD2-CD2 3.71Å; W171-L267 HydrophobicContact CH2-CD1 3.44Å; W171-L267 VanDerWaalsContact CH2-CD1 3.44Å; W171-L267 HydrophobicContact CZ2-CD1 4.27Å; W171-L267 HydrophobicContact CZ3-CD1 3.81Å; F224-L267 WeakPolarHBondContact CE1-O 3.46Å; G262-L267 VanDerWaalsContact O-CB 3.31Å; G262-L267 WeakPolarHBondContact O-CB 3.39Å; G262-L267 PolarHBondContact O-N 3.35Å; H263-L267 WeakPolarHBondContact CA-O 3.36Å; H263-L267 PolarHBondContact ND1-O 3.02Å; L267-M277 HydrophobicContact CB-CE 4.08Å; L267-M277 HydrophobicContact CB-CG 4.09Å; L267-M277 HydrophobicContact CB-SD 4.32Å; L267-M277 HydrophobicContact CD1-CG 3.86Å; L267-M277 HydrophobicContact CD1-SD 4.2Å; L267-I299 HydrophobicContact CD1-CB 4.27Å; L267-I299 HydrophobicContact CD1-CD1 4.16Å; L267-I299 HydrophobicContact CD2-CB 4.41Å; L267-I299 HydrophobicContact CD2-CD1 4.25Å; L267-I299 HydrophobicContact CG-CD1 4.08Å; L267-L302 HydrophobicContact CD2-CD1 3.96Å
268	E	89.9	Confident	91.2	Very high	43 Å²	43	10.5 Å²	10.5	20%	0.201	6%	0.061	C	C	.	.			trans	-89.8	176.2	170.2	-68.7	173.3	161.1	0	0	110.5	F117 A133 L134 T135 S270	F117-E268 HydrophobicContact CD2-CG 4.17Å; F117-E268 HydrophobicContact CE2-CB 4.43Å; F117-E268 HydrophobicContact CE2-CG 3.89Å; A133-E268 VanDerWaalsContact CB-C 3.47Å; A133-E268 HydrophobicContact CB-CB 3.52Å; A133-E268 VanDerWaalsContact CB-O 3.26Å; A133-E268 WeakPolarHBondContact CB-O 3.2Å; A133-E268 PolarHBondContact O-N 3.04Å; L134-E268 PolarHBondContact N-OE2 2.75Å; T135-E268 VanDerWaalsContact CA-OE1 3.27Å; T135-E268 WeakPolarHBondContact CA-OE1 3.46Å; T135-E268 HydrophobicContact CG2-CG 3.28Å; E268-S270 PolarHBondContact O-N 3.3Å
269	H	90.3	Very high	90.9	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.032	6%	0.063	C	C	.	.			trans	-62.9	128.5	171.3	-76.8	163.1	0	0	0	113	F89 C111 V113 D115 A133 H259 H263 M277 P279	F89-H269 HydrophobicContact CZ-CB 4.08Å; C111-H269 WeakPolarHBondContact CB-NE2 3.5Å; V113-H269 PolarHBondContact O-CE1 3.27Å; V113-H269 PolarHBondContact O-ND1 3.15Å; D115-H269 IonicContact OD1-CE1 3.73Å; D115-H269 PolarHBondContact OD1-CE1 3.41Å; D115-H269 IonicContact OD1-CG 3.71Å; D115-H269 IonicContact OD1-ND1 3.91Å; D115-H269 PolarHBondContact OD1-ND1 3.16Å; A133-H269 VanDerWaalsContact CB-C 3.48Å; A133-H269 WeakPolarHBondContact CB-O 3.41Å; H259-H269 AromaticContact CE1-CD2 3.67Å; H259-H269 AromaticContact CE1-NE2 3.65Å; H259-H269 AromaticContact NE2-CD2 3.56Å; H259-H269 AromaticContact NE2-NE2 3.25Å; H259-H269 PolarHBondContact NE2-NE2 2.7Å; H263-H269 AromaticContact CE1-CD2 3.35Å; H263-H269 PolarHBondContact CE1-CD2 3.35Å; H263-H269 AromaticContact CE1-NE2 3.73Å; H263-H269 AromaticContact NE2-CD2 3.3Å; H263-H269 PolarHBondContact NE2-CD2 3.23Å; H263-H269 VanDerWaalsContact NE2-CD2 3.3Å; H263-H269 AromaticContact NE2-NE2 3.22Å; H263-H269 PolarHBondContact NE2-NE2 2.85Å; H269-M277 CarbonylContact C-O 3.57Å; H269-M277 VanDerWaalsContact CA-O 3.3Å; H269-M277 WeakPolarHBondContact CA-O 3.41Å; H269-P279 HydrophobicContact CB-CG 3.73Å
270	S	88.4	Confident	90.6	Very high	9 Å²	9	10.7 Å²	10.7	6%	0.063	6%	0.062	C	C	.	.			trans	-85.1	139.1	174.2	-173.2	0	0	0	0	111.2	E268 N272 M277 D294	E268-S270 PolarHBondContact O-N 3.3Å; S270-N272 PolarHBondContact O-N 3.01Å; S270-N272 VanDerWaalsContact OG-CB 3.31Å; S270-N272 WeakPolarHBondContact OG-CB 3.33Å; S270-N272 PolarHBondContact OG-N 3.33Å; S270-N272 VanDerWaalsContact OG-N 3.12Å; S270-M277 PolarHBondContact N-O 3.44Å; S270-D294 WeakPolarHBondContact CB-OD2 3.08Å; S270-D294 PolarHBondContact OG-OD2 2.46Å
271	S	82.8	Confident	90.2	Very high	47 Å²	47	11.9 Å²	11.9	33%	0.329	7%	0.067	S	C	.	.	S	Bend	trans	-77.8	2.7	168.6	67.1	0	0	0	0	112.6	F89 P273	F89-S271 WeakPolarHBondContact O-CB 3.37Å; S271-P273 WeakPolarHBondContact O-CD 3.41Å
272	N	82.1	Confident	89.7	Confident	38 Å²	38	13 Å²	13	20%	0.203	7%	0.072	C	C	.	.			trans	-89.1	107.5	175.1	179	-10.4	0	0	0	108.5	S270 N274 A275 Y365	S270-N272 PolarHBondContact O-N 3.01Å; S270-N272 VanDerWaalsContact OG-CB 3.31Å; S270-N272 WeakPolarHBondContact OG-CB 3.33Å; S270-N272 PolarHBondContact OG-N 3.33Å; S270-N272 VanDerWaalsContact OG-N 3.12Å; N272-N274 PolarHBondContact O-N 2.98Å; N272-N274 VanDerWaalsContact OD1-CB 3.29Å; N272-N274 WeakPolarHBondContact OD1-CB 3.5Å; N272-N274 PolarHBondContact OD1-N 3.01Å; N272-A275 HydrophobicContact CB-CB 4.27Å; N272-A275 VanDerWaalsContact O-CB 3.24Å; N272-A275 WeakPolarHBondContact O-CB 3.45Å; N272-A275 PolarHBondContact O-N 3.03Å; N272-Y365 WeakPolarHBondContact OD1-CE2 3.07Å
273	P	80.6	Confident	89.2	Confident	30 Å²	30	13.6 Å²	13.6	20%	0.195	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.5	178.7	-13.7	6.7	0	0	0	113.7	S271 A275 Q282 Y365	S271-P273 WeakPolarHBondContact O-CD 3.41Å; P273-A275 PolarHBondContact O-N 3.42Å; P273-Q282 PolarHBondContact O-NE2 3.15Å; P273-Q282 PolarHBondContact O-OE1 2.76Å; P273-Y365 HydrophobicContact CB-CE2 4.33Å; P273-Y365 WeakPolarHBondContact CB-OH 3.35Å; P273-Y365 HydrophobicContact CG-CE2 3.71Å; P273-Y365 WeakPolarHBondContact CG-OH 3.39Å
274	N	79.3	Confident	88.8	Confident	4 Å²	4	14.7 Å²	14.7	2%	0.021	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.6	178.2	-80.4	-83.8	0	0	0	116.1	N272 K284 P292 Y365 R390 W391 P407	N272-N274 PolarHBondContact O-N 2.98Å; N272-N274 VanDerWaalsContact OD1-CB 3.29Å; N272-N274 WeakPolarHBondContact OD1-CB 3.5Å; N272-N274 PolarHBondContact OD1-N 3.01Å; N274-K284 PolarHBondContact O-NZ 2.58Å; N274-P292 VanDerWaalsContact O-CG 3.31Å; N274-P292 WeakPolarHBondContact O-CG 3.33Å; N274-Y365 PolarHBondContact ND2-OH 2.89Å; N274-R390 PolarHBondContact O-NH2 3.06Å; N274-R390 PolarHBondContact OD1-NE 3.42Å; N274-R390 PolarHBondContact OD1-NH2 3.33Å; N274-W391 HydrophobicContact CB-CH2 4.26Å; N274-W391 VanDerWaalsContact CG-CH2 3.42Å; N274-W391 WeakPolarHBondContact ND2-CH2 3.48Å; N274-W391 WeakPolarHBondContact ND2-CZ3 3.3Å; N274-P407 VanDerWaalsContact CG-CG 3.42Å; N274-P407 VanDerWaalsContact ND2-CG 3.32Å; N274-P407 WeakPolarHBondContact ND2-CG 3.38Å; N274-P407 VanDerWaalsContact OD1-CB 3.23Å; N274-P407 WeakPolarHBondContact OD1-CB 3.17Å; N274-P407 WeakPolarHBondContact OD1-CG 3.42Å
275	A	89.1	Confident	88.2	Confident	2 Å²	2	16.3 Å²	16.3	2%	0.017	9%	0.088	C	C	.	.	S	Bend	trans	-60.6	149.5	178.7	0	0	0	0	0	110.2	N272 P273 A278 D294 D295	N272-A275 HydrophobicContact CB-CB 4.27Å; N272-A275 VanDerWaalsContact O-CB 3.24Å; N272-A275 WeakPolarHBondContact O-CB 3.45Å; N272-A275 PolarHBondContact O-N 3.03Å; P273-A275 PolarHBondContact O-N 3.42Å; A275-A278 WeakPolarHBondContact O-CB 3.5Å; A275-A278 PolarHBondContact O-N 3.06Å; A275-D294 HydrophobicContact CB-CB 4.28Å; A275-D295 VanDerWaalsContact CA-OD2 3.25Å; A275-D295 WeakPolarHBondContact CA-OD2 3.49Å; A275-D295 WeakPolarHBondContact CB-OD1 3.34Å
276	I	93.8	Very high	87.8	Confident	11 Å²	11	16.3 Å²	16.3	6%	0.056	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.8	164.7	-165.4	60.4	0	0	0	108.9	W171 V258 H259 A278 K284 F289 L291 D295	W171-I276 HydrophobicContact CH2-CG2 4.31Å; W171-I276 HydrophobicContact CZ2-CG2 4.28Å; V258-I276 HydrophobicContact CB-CG1 4.23Å; V258-I276 HydrophobicContact CG1-CG1 3.85Å; V258-I276 HydrophobicContact CG1-CG2 4.12Å; H259-I276 HydrophobicContact CB-CG1 4.31Å; H259-I276 PolarHBondContact ND1-O 3.1Å; I276-A278 PolarHBondContact O-N 2.9Å; I276-A278 VanDerWaalsContact O-N 3.11Å; I276-K284 HydrophobicContact CD1-CD 4.24Å; I276-F289 HydrophobicContact CD1-CE2 4.32Å; I276-F289 HydrophobicContact CD1-CZ 4.38Å; I276-F289 HydrophobicContact CG1-CZ 4.41Å; I276-L291 HydrophobicContact CG2-CD2 4.06Å; I276-D295 HydrophobicContact CG2-CB 4.06Å; I276-D295 PolarHBondContact N-OD1 2.92Å; I276-D295 PolarHBondContact N-OD2 3.28Å
277	M	93.9	Very high	87.4	Confident	3 Å²	3	21.7 Å²	21.7	2%	0.015	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	12.6	174.7	-59.2	-49.9	-58.5	0	0	114.5	W171 H259 H263 L267 H269 S270 D295	W171-M277 HydrophobicContact CZ2-SD 4.44Å; H259-M277 WeakPolarHBondContact O-CE 3.45Å; H263-M277 WeakPolarHBondContact CE1-CE 3.44Å; H263-M277 VanDerWaalsContact ND1-CE 3.35Å; H263-M277 WeakPolarHBondContact ND1-CE 3.24Å; L267-M277 HydrophobicContact CB-CE 4.08Å; L267-M277 HydrophobicContact CB-CG 4.09Å; L267-M277 HydrophobicContact CB-SD 4.32Å; L267-M277 HydrophobicContact CD1-CG 3.86Å; L267-M277 HydrophobicContact CD1-SD 4.2Å; H269-M277 CarbonylContact C-O 3.57Å; H269-M277 VanDerWaalsContact CA-O 3.3Å; H269-M277 WeakPolarHBondContact CA-O 3.41Å; S270-M277 PolarHBondContact N-O 3.44Å; M277-D295 WeakPolarHBondContact CB-OD1 3.21Å; M277-D295 WeakPolarHBondContact CG-OD1 3.37Å; M277-D295 PolarHBondContact N-OD1 3.18Å
278	A	91.9	Very high	87	Confident	6 Å²	6	26.3 Å²	26.3	5%	0.05	14%	0.141	C	C	.	.			trans	-69.6	138.3	169.2	0	0	0	0	0	109.4	H259 A275 I276 F280	H259-A278 PolarHBondContact CE1-O 3.49Å; H259-A278 PolarHBondContact ND1-O 3.33Å; A275-A278 WeakPolarHBondContact O-CB 3.5Å; A275-A278 PolarHBondContact O-N 3.06Å; I276-A278 PolarHBondContact O-N 2.9Å; I276-A278 VanDerWaalsContact O-N 3.11Å; A278-F280 PolarHBondContact O-N 3.37Å
279	P	91.6	Very high	86.9	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.032	14%	0.137	C	C	.	.	S	Bend	trans	-65.5	-38.6	-169.1	-27.6	38.3	0	0	0	114.4	F89 Y90 R110 C111 D115 H269	F89-P279 HydrophobicContact CE1-CG 3.83Å; Y90-P279 HydrophobicContact CE1-CB 4.21Å; Y90-P279 HydrophobicContact CE1-CG 3.92Å; R110-P279 CarbonylContact C-O 3.58Å; R110-P279 WeakPolarHBondContact CA-O 3.27Å; R110-P279 WeakPolarHBondContact CB-O 3.27Å; C111-P279 PolarHBondContact N-O 2.75Å; D115-P279 WeakPolarHBondContact OD1-CG 3.45Å; H269-P279 HydrophobicContact CB-CG 3.73Å
280	F	90.9	Very high	86.9	Confident	11 Å²	11	32.5 Å²	32.5	5%	0.048	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-78.5	136.9	179	-67.1	-72.1	0	0	0	110.8	W56 Y90 W105 R108 R110 A278 Q282	W56-F280 HydrophobicContact CH2-CZ 4.48Å; W56-F280 HydrophobicContact CZ2-CZ 4.23Å; Y90-F280 HydrophobicContact CD1-CD2 4.02Å; Y90-F280 AromaticContact CD1-CE2 3.57Å; Y90-F280 HydrophobicContact CD1-CE2 3.57Å; Y90-F280 AromaticContact CD2-CE2 3.64Å; Y90-F280 HydrophobicContact CD2-CE2 3.64Å; Y90-F280 HydrophobicContact CD2-CZ 4.23Å; Y90-F280 HydrophobicContact CE1-CD2 4.2Å; Y90-F280 AromaticContact CE1-CE2 3.63Å; Y90-F280 HydrophobicContact CE1-CE2 3.63Å; Y90-F280 HydrophobicContact CE1-CZ 4.41Å; Y90-F280 AromaticContact CE2-CE2 3.58Å; Y90-F280 HydrophobicContact CE2-CE2 3.58Å; Y90-F280 AromaticContact CE2-CZ 3.85Å; Y90-F280 HydrophobicContact CE2-CZ 3.85Å; Y90-F280 HydrophobicContact CG-CD2 4.33Å; Y90-F280 AromaticContact CG-CE2 3.62Å; Y90-F280 HydrophobicContact CG-CE2 3.62Å; Y90-F280 AromaticContact CZ-CE2 3.63Å; W105-F280 AromaticContact CE3-CD2 3.84Å; W105-F280 HydrophobicContact CE3-CD2 3.84Å; W105-F280 AromaticContact CE3-CE2 3.78Å; W105-F280 HydrophobicContact CE3-CE2 3.78Å; W105-F280 HydrophobicContact CE3-CG 4.32Å; W105-F280 HydrophobicContact CE3-CZ 4.23Å; W105-F280 AromaticContact CZ3-CD2 3.84Å; W105-F280 HydrophobicContact CZ3-CD2 3.84Å; W105-F280 HydrophobicContact CZ3-CE2 4.19Å; W105-F280 HydrophobicContact CZ3-CG 4.34Å; W105-F280 WeakPolarHBondContact O-CE1 3.18Å; W105-F280 WeakPolarHBondContact O-CZ 3.41Å; R108-F280 HydrophobicContact CB-CD1 3.7Å; R108-F280 HydrophobicContact CB-CE1 4.06Å; R110-F280 HydrophobicContact CB-CD1 3.76Å; R110-F280 HydrophobicContact CB-CE1 4.19Å; R110-F280 HydrophobicContact CB-CG 4.47Å; R110-F280 HydrophobicContact CG-CD1 4.5Å; R110-F280 HydrophobicContact CG-CE1 4.46Å; A278-F280 PolarHBondContact O-N 3.37Å; F280-Q282 PolarHBondContact O-N 3.34Å
281	Y	90.6	Very high	87	Confident	27 Å²	27	33.4 Å²	33.4	11%	0.106	17%	0.172	C	C	.	.			trans	-59.1	128.6	175.5	174.6	-101.8	0	0	0	110.6	P109 L219 N252 L255 V256	P109-Y281 HydrophobicContact CG-CD1 4.47Å; P109-Y281 WeakPolarHBondContact O-CB 3.38Å; P109-Y281 PolarHBondContact O-N 2.83Å; L219-Y281 HydrophobicContact CD1-CD2 3.96Å; L219-Y281 HydrophobicContact CD1-CG 3.92Å; N252-Y281 WeakPolarHBondContact CB-OH 3.39Å; N252-Y281 PolarHBondContact N-OH 3.1Å; L255-Y281 HydrophobicContact CB-CE2 4.19Å; L255-Y281 HydrophobicContact CD1-CE2 4.34Å; V256-Y281 HydrophobicContact CG2-CD2 3.81Å; V256-Y281 HydrophobicContact CG2-CE2 3.97Å
282	Q	85.7	Confident	87.3	Confident	24 Å²	24	31.5 Å²	31.5	11%	0.112	16%	0.158	C	C	.	.			trans	-132.1	124.5	176.6	-73.3	173.6	56	0	0	109	P273 F280 K284	P273-Q282 PolarHBondContact O-NE2 3.15Å; P273-Q282 PolarHBondContact O-OE1 2.76Å; F280-Q282 PolarHBondContact O-N 3.34Å; Q282-K284 PolarHBondContact O-N 3.1Å
283	W	86.4	Confident	87.6	Confident	13 Å²	13	34.6 Å²	34.6	5%	0.049	17%	0.171	C	C	.	.			trans	-64.6	134.7	173.2	-173.1	91.3	0	0	0	109.7	L248 D285 R413 G414 L415	L248-W283 HydrophobicContact CD2-CD2 4.28Å; L248-W283 HydrophobicContact CD2-CG 4.34Å; L248-W283 HydrophobicContact CD2-CZ2 4.18Å; L248-W283 VanDerWaalsContact CD2-NE1 3.31Å; W283-D285 HydrophobicContact CH2-CB 4.09Å; W283-D285 HydrophobicContact CZ3-CB 4.46Å; W283-R413 HydrophobicContact CB-CB 4.32Å; W283-R413 HydrophobicContact CB-CG 4.04Å; W283-R413 HydrophobicContact CG-CB 4.43Å; W283-G414 VanDerWaalsContact CH2-C 3.44Å; W283-L415 WeakPolarHBondContact CZ3-O 3.42Å
284	K	85.6	Confident	87.9	Confident	23 Å²	23	34 Å²	34	10%	0.1	17%	0.166	C	C	.	.			trans	-131.8	151.6	171.7	-60.7	-176.4	-159.5	-71.5	0	107.3	L255 N274 I276 Q282 V286 F289	L255-K284 HydrophobicContact CD1-CB 4.39Å; L255-K284 HydrophobicContact CD2-CB 4.13Å; N274-K284 PolarHBondContact O-NZ 2.58Å; I276-K284 HydrophobicContact CD1-CD 4.24Å; Q282-K284 PolarHBondContact O-N 3.1Å; K284-V286 PolarHBondContact O-N 2.78Å; K284-F289 HydrophobicContact CB-CD2 4.34Å; K284-F289 HydrophobicContact CB-CE2 4.35Å; K284-F289 HydrophobicContact CD-CE2 4.06Å
285	D	82.8	Confident	88.5	Confident	34 Å²	34	33.9 Å²	33.9	18%	0.182	17%	0.166	C	C	.	.			trans	-56.1	114.7	174.9	-178.3	-3.5	0	0	0	109.6	W283 D287 N288 F289	W283-D285 HydrophobicContact CH2-CB 4.09Å; W283-D285 HydrophobicContact CZ3-CB 4.46Å; D285-D287 PolarHBondContact OD1-N 3.45Å; D285-N288 PolarHBondContact OD1-N 2.84Å; D285-F289 VanDerWaalsContact O-CA 3.3Å; D285-F289 WeakPolarHBondContact O-CA 3.05Å; D285-F289 WeakPolarHBondContact O-CB 3.5Å; D285-F289 PolarHBondContact O-N 2.89Å
286	V	86.1	Confident	88.7	Confident	2 Å²	2	36 Å²	36	1%	0.012	18%	0.176	C	C	.	.	S	Bend	trans	-83.8	-20	-178.3	-63.7	0	0	0	0	111.9	R166 F254 L255 K284	R166-V286 PolarHBondContact NH1-O 3.07Å; R166-V286 PolarHBondContact NH2-O 3.43Å; F254-V286 HydrophobicContact CD1-CB 4.22Å; F254-V286 HydrophobicContact CD1-CG1 3.97Å; F254-V286 HydrophobicContact CE1-CG1 4.48Å; L255-V286 HydrophobicContact CD1-CG1 4.04Å; L255-V286 HydrophobicContact CD2-CG1 3.92Å; L255-V286 HydrophobicContact CG-CG1 3.8Å; K284-V286 PolarHBondContact O-N 2.78Å
287	D	82.9	Confident	88.5	Confident	112 Å²	112	39.4 Å²	39.4	60%	0.599	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-38.7	-176.8	-67.3	-38.6	0	0	0	110.6	S245 D285	S245-D287 WeakPolarHBondContact CB-OD2 3.19Å; S245-D287 PolarHBondContact OG-OD2 3.49Å; D285-D287 PolarHBondContact OD1-N 3.45Å
288	N	81.9	Confident	88.3	Confident	101 Å²	101	39.4 Å²	39.4	54%	0.54	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	37.4	176.1	-167.9	25.4	0	0	0	112.7	D285 K290	D285-N288 PolarHBondContact OD1-N 2.84Å; N288-K290 PolarHBondContact O-N 2.85Å
289	F	89.3	Confident	88.3	Confident	28 Å²	28	39.1 Å²	39.1	12%	0.123	19%	0.187	C	C	.	.			trans	-59.6	130.3	-176.2	-176.4	-90.2	0	0	0	112.1	V170 F254 L255 V258 I276 K284 D285 L291	V170-F289 HydrophobicContact CG1-CD1 4.4Å; V170-F289 HydrophobicContact CG1-CE1 3.83Å; V170-F289 HydrophobicContact CG2-CD1 4.12Å; V170-F289 HydrophobicContact CG2-CE1 4.25Å; F254-F289 HydrophobicContact CE1-CB 3.87Å; F254-F289 HydrophobicContact CE1-CD1 4.15Å; F254-F289 HydrophobicContact CE1-CD2 4.05Å; F254-F289 AromaticContact CE1-CG 3.75Å; F254-F289 HydrophobicContact CE1-CG 3.75Å; F254-F289 HydrophobicContact CZ-CB 4.17Å; F254-F289 AromaticContact CZ-CD1 3.87Å; F254-F289 HydrophobicContact CZ-CD1 3.87Å; F254-F289 HydrophobicContact CZ-CE1 4.45Å; F254-F289 AromaticContact CZ-CG 3.94Å; F254-F289 HydrophobicContact CZ-CG 3.94Å; L255-F289 HydrophobicContact CD2-CD2 3.67Å; L255-F289 HydrophobicContact CD2-CE2 3.58Å; V258-F289 HydrophobicContact CG1-CE1 4.27Å; V258-F289 HydrophobicContact CG1-CZ 4.09Å; I276-F289 HydrophobicContact CD1-CE2 4.32Å; I276-F289 HydrophobicContact CD1-CZ 4.38Å; I276-F289 HydrophobicContact CG1-CZ 4.41Å; K284-F289 HydrophobicContact CB-CD2 4.34Å; K284-F289 HydrophobicContact CB-CE2 4.35Å; K284-F289 HydrophobicContact CD-CE2 4.06Å; D285-F289 VanDerWaalsContact O-CA 3.3Å; D285-F289 WeakPolarHBondContact O-CA 3.05Å; D285-F289 WeakPolarHBondContact O-CB 3.5Å; D285-F289 PolarHBondContact O-N 2.89Å; F289-L291 HydrophobicContact CE1-CD2 4.43Å; F289-L291 HydrophobicContact CE1-CG 4.44Å
290	K	88.8	Confident	88.4	Confident	152 Å²	152	40.4 Å²	40.4	66%	0.661	19%	0.193	S	C	*	.			trans	-131.2	140.1	170.9	-65.3	-177.1	-178	-179.2	0	109.5	N288 P292	N288-K290 PolarHBondContact O-N 2.85Å; K290-P292 WeakPolarHBondContact O-CD 3.27Å
291	L	91.1	Very high	88.3	Confident	29 Å²	29	45 Å²	45	15%	0.152	21%	0.214	C	C	.	.			trans	-57.7	126.6	174.6	-84.7	167.6	0	0	0	109.7	V170 W171 A174 V258 I276 F289 D295	V170-L291 HydrophobicContact CG1-CD1 3.7Å; V170-L291 HydrophobicContact CG1-CD2 3.86Å; V170-L291 HydrophobicContact CG1-CG 3.52Å; W171-L291 HydrophobicContact CE3-CD1 3.96Å; W171-L291 HydrophobicContact CE3-CD2 4.4Å; W171-L291 HydrophobicContact CH2-CD2 3.8Å; W171-L291 HydrophobicContact CZ2-CD2 4.19Å; W171-L291 HydrophobicContact CZ3-CD1 4Å; W171-L291 HydrophobicContact CZ3-CD2 3.9Å; A174-L291 HydrophobicContact CB-CD1 3.57Å; V258-L291 HydrophobicContact CG1-CD2 4.23Å; I276-L291 HydrophobicContact CG2-CD2 4.06Å; F289-L291 HydrophobicContact CE1-CD2 4.43Å; F289-L291 HydrophobicContact CE1-CG 4.44Å; L291-D295 HydrophobicContact CD2-CB 4.21Å
292	P	90.1	Very high	88.2	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.045	21%	0.214	C	C	.	.			trans	-59.9	148.5	171	-18.5	29.8	0	0	0	110.7	N274 K290 D294 D295 L296	N274-P292 VanDerWaalsContact O-CG 3.31Å; N274-P292 WeakPolarHBondContact O-CG 3.33Å; K290-P292 WeakPolarHBondContact O-CD 3.27Å; P292-D294 PolarHBondContact O-N 3.49Å; P292-D294 VanDerWaalsContact O-N 3.14Å; P292-D295 WeakPolarHBondContact CB-OD2 3.4Å; P292-D295 VanDerWaalsContact CD-OD2 3.25Å; P292-D295 WeakPolarHBondContact CD-OD2 3.37Å; P292-D295 VanDerWaalsContact CG-OD2 3.25Å; P292-D295 WeakPolarHBondContact CG-OD2 3.41Å; P292-D295 PolarHBondContact O-N 2.85Å; P292-L296 PolarHBondContact O-N 2.96Å
293	E	86.9	Confident	88.5	Confident	102 Å²	102	44.4 Å²	44.4	48%	0.477	21%	0.212	S	C	.	.	H	α-helix	trans	-60.1	-27.6	-172.8	177.5	60.7	-157.3	0	0	113.7	R297	E293-R297 VanDerWaalsContact CG-CZ 3.45Å; E293-R297 WeakPolarHBondContact O-CG 3.48Å; E293-R297 PolarHBondContact O-N 3.41Å; E293-R297 PolarHBondContact O-NE 3.33Å; E293-R297 WeakPolarHBondContact OE1-CD 3.48Å; E293-R297 WeakPolarHBondContact OE1-CG 3.47Å; E293-R297 IonicContact OE1-CZ 2.76Å; E293-R297 IonicContact OE1-NE 3.65Å; E293-R297 PolarHBondContact OE1-NE 3.34Å; E293-R297 IonicContact OE1-NH1 3.05Å; E293-R297 PolarHBondContact OE1-NH1 3.2Å
294	D	87.5	Confident	88.7	Confident	17 Å²	17	45 Å²	45	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-46.5	174.4	-164.6	59.9	0	0	0	111.9	Y132 S270 A275 P292 G298	Y132-D294 WeakPolarHBondContact CD1-O 3.33Å; S270-D294 WeakPolarHBondContact CB-OD2 3.08Å; S270-D294 PolarHBondContact OG-OD2 2.46Å; A275-D294 HydrophobicContact CB-CB 4.28Å; P292-D294 PolarHBondContact O-N 3.49Å; P292-D294 VanDerWaalsContact O-N 3.14Å; D294-G298 PolarHBondContact O-N 2.88Å
295	D	92.4	Very high	88.9	Confident	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-71.9	-41.4	-178.8	-47.7	-75	0	0	0	111.1	W171 A275 I276 M277 L291 P292 R297 G298 I299	W171-D295 HydrophobicContact CH2-CB 4.27Å; A275-D295 VanDerWaalsContact CA-OD2 3.25Å; A275-D295 WeakPolarHBondContact CA-OD2 3.49Å; A275-D295 WeakPolarHBondContact CB-OD1 3.34Å; I276-D295 HydrophobicContact CG2-CB 4.06Å; I276-D295 PolarHBondContact N-OD1 2.92Å; I276-D295 PolarHBondContact N-OD2 3.28Å; M277-D295 WeakPolarHBondContact CB-OD1 3.21Å; M277-D295 WeakPolarHBondContact CG-OD1 3.37Å; M277-D295 PolarHBondContact N-OD1 3.18Å; L291-D295 HydrophobicContact CD2-CB 4.21Å; P292-D295 WeakPolarHBondContact CB-OD2 3.4Å; P292-D295 VanDerWaalsContact CD-OD2 3.25Å; P292-D295 WeakPolarHBondContact CD-OD2 3.37Å; P292-D295 VanDerWaalsContact CG-OD2 3.25Å; P292-D295 WeakPolarHBondContact CG-OD2 3.41Å; P292-D295 PolarHBondContact O-N 2.85Å; D295-R297 PolarHBondContact O-N 3.13Å; D295-G298 PolarHBondContact O-N 3.26Å; D295-I299 WeakPolarHBondContact O-CG2 3.19Å; D295-I299 PolarHBondContact O-N 3.32Å
296	L	92.1	Very high	89	Confident	45 Å²	45	46.5 Å²	46.5	24%	0.236	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-48.1	176.9	-176.5	65.4	0	0	0	111.2	A174 P292 I299 Q300	A174-L296 HydrophobicContact CB-CD1 3.76Å; P292-L296 PolarHBondContact O-N 2.96Å; L296-I299 WeakPolarHBondContact O-CG2 3.48Å; L296-Q300 HydrophobicContact CD1-CG 4.49Å; L296-Q300 VanDerWaalsContact O-CB 3.29Å; L296-Q300 WeakPolarHBondContact O-CB 3.08Å; L296-Q300 WeakPolarHBondContact O-CG 3.32Å; L296-Q300 PolarHBondContact O-N 3.1Å
297	R	89.1	Confident	88.5	Confident	84 Å²	84	53.5 Å²	53.5	32%	0.317	27%	0.274	S	S	.	.	H	α-helix	trans	-70	-37.9	177.4	-69.4	-176.7	-59.5	-133.8	8.1	112.3	Y132 E293 D295 Q301	Y132-R297 HydrophobicContact CD1-CB 4.25Å; Y132-R297 HydrophobicContact CE1-CB 3.6Å; Y132-R297 HydrophobicContact CE2-CB 4.35Å; Y132-R297 WeakPolarHBondContact OH-CD 3.41Å; Y132-R297 PolarHBondContact OH-NE 2.99Å; E293-R297 VanDerWaalsContact CG-CZ 3.45Å; E293-R297 WeakPolarHBondContact O-CG 3.48Å; E293-R297 PolarHBondContact O-N 3.41Å; E293-R297 PolarHBondContact O-NE 3.33Å; E293-R297 WeakPolarHBondContact OE1-CD 3.48Å; E293-R297 WeakPolarHBondContact OE1-CG 3.47Å; E293-R297 IonicContact OE1-CZ 2.76Å; E293-R297 IonicContact OE1-NE 3.65Å; E293-R297 PolarHBondContact OE1-NE 3.34Å; E293-R297 IonicContact OE1-NH1 3.05Å; E293-R297 PolarHBondContact OE1-NH1 3.2Å; D295-R297 PolarHBondContact O-N 3.13Å; R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.79Å
298	G	89.9	Confident	87.4	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-57.6	-50.2	176.1	0	0	0	0	0	111.7	D294 D295 Q301 L302	D294-G298 PolarHBondContact O-N 2.88Å; D295-G298 PolarHBondContact O-N 3.26Å; G298-Q301 WeakPolarHBondContact O-CB 3.08Å; G298-Q301 PolarHBondContact O-N 3.43Å; G298-L302 PolarHBondContact O-N 2.84Å
299	I	93.3	Very high	85.9	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-71	-39	-178.2	-162	69.5	0	0	0	112.2	W171 A174 T175 L265 L267 D295 L296 Q301 L302 Y303	W171-I299 HydrophobicContact CE3-CB 4.12Å; W171-I299 HydrophobicContact CE3-CD1 4.29Å; W171-I299 HydrophobicContact CE3-CG1 3.86Å; W171-I299 HydrophobicContact CE3-CG2 4.08Å; W171-I299 HydrophobicContact CZ3-CB 3.76Å; W171-I299 HydrophobicContact CZ3-CD1 4.34Å; W171-I299 HydrophobicContact CZ3-CG1 3.97Å; W171-I299 HydrophobicContact CZ3-CG2 3.84Å; A174-I299 HydrophobicContact CB-CG2 4.23Å; T175-I299 HydrophobicContact CG2-CB 4.26Å; T175-I299 HydrophobicContact CG2-CG1 3.38Å; T175-I299 HydrophobicContact CG2-CG2 3.92Å; L265-I299 HydrophobicContact CB-CD1 3.77Å; L265-I299 HydrophobicContact CD1-CD1 4.07Å; L267-I299 HydrophobicContact CD1-CB 4.27Å; L267-I299 HydrophobicContact CD1-CD1 4.16Å; L267-I299 HydrophobicContact CD2-CB 4.41Å; L267-I299 HydrophobicContact CD2-CD1 4.25Å; L267-I299 HydrophobicContact CG-CD1 4.08Å; D295-I299 WeakPolarHBondContact O-CG2 3.19Å; D295-I299 PolarHBondContact O-N 3.32Å; L296-I299 WeakPolarHBondContact O-CG2 3.48Å; I299-Q301 PolarHBondContact O-N 3.38Å; I299-L302 HydrophobicContact CD1-CD1 4.49Å; I299-L302 WeakPolarHBondContact O-CB 3.15Å; I299-L302 PolarHBondContact O-N 3.03Å; I299-Y303 HydrophobicContact CD1-CD2 3.67Å; I299-Y303 HydrophobicContact CD1-CE2 3.66Å; I299-Y303 HydrophobicContact CG1-CD2 3.98Å; I299-Y303 HydrophobicContact CG1-CE2 4.46Å; I299-Y303 PolarHBondContact O-N 3.09Å
300	Q	92.6	Very high	83.6	Confident	32 Å²	32	57.3 Å²	57.3	15%	0.15	31%	0.311	C	S	.	.	H	α-helix	trans	-68.1	-25.6	176.5	-71.5	176.5	-7	0	0	112.5	A174 L296 L302 G304 T305	A174-Q300 WeakPolarHBondContact O-CG 3.37Å; A174-Q300 PolarHBondContact O-NE2 3.35Å; L296-Q300 HydrophobicContact CD1-CG 4.49Å; L296-Q300 VanDerWaalsContact O-CB 3.29Å; L296-Q300 WeakPolarHBondContact O-CB 3.08Å; L296-Q300 WeakPolarHBondContact O-CG 3.32Å; L296-Q300 PolarHBondContact O-N 3.1Å; Q300-L302 VanDerWaalsContact C-N 3.26Å; Q300-L302 PolarHBondContact O-N 2.87Å; Q300-G304 WeakPolarHBondContact O-CA 3.46Å; Q300-G304 PolarHBondContact O-N 2.99Å; Q300-T305 HydrophobicContact CG-CG2 4.37Å
301	Q	89.9	Confident	81.3	Confident	107 Å²	107	55 Å²	55	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-67.3	-28.3	170.8	-172.9	173.9	4.9	0	0	112.2	Y132 L134 R297 G298 I299	Y132-Q301 VanDerWaalsContact CD2-OE1 3.25Å; L134-Q301 HydrophobicContact CD1-CB 4.34Å; L134-Q301 HydrophobicContact CD1-CG 4.02Å; R297-Q301 WeakPolarHBondContact O-CB 3.17Å; R297-Q301 PolarHBondContact O-N 2.79Å; G298-Q301 WeakPolarHBondContact O-CB 3.08Å; G298-Q301 PolarHBondContact O-N 3.43Å; I299-Q301 PolarHBondContact O-N 3.38Å
302	L	88.9	Confident	78.7	Confident	20 Å²	20	59.3 Å²	59.3	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-83	-45.3	177.6	-68.5	178.1	0	0	0	112.8	L134 K138 L267 G298 I299 Q300	L134-L302 HydrophobicContact CD1-CD2 4.23Å; L134-L302 HydrophobicContact CD2-CD1 3.79Å; L134-L302 HydrophobicContact CD2-CD2 3.91Å; L134-L302 HydrophobicContact CD2-CG 3.67Å; K138-L302 HydrophobicContact CB-CD2 4.46Å; K138-L302 PolarHBondContact NZ-O 3.09Å; L267-L302 HydrophobicContact CD2-CD1 3.96Å; G298-L302 PolarHBondContact O-N 2.84Å; I299-L302 HydrophobicContact CD1-CD1 4.49Å; I299-L302 WeakPolarHBondContact O-CB 3.15Å; I299-L302 PolarHBondContact O-N 3.03Å; Q300-L302 VanDerWaalsContact C-N 3.26Å; Q300-L302 PolarHBondContact O-N 2.87Å
303	Y	91.8	Very high	76.3	Confident	18 Å²	18	65 Å²	65	7%	0.071	37%	0.367	C	S	.	.	H	α-helix	trans	-116.9	-14.5	-167.9	-60.6	-73.8	0	0	0	114.9	K138 W139 T175 P176 L177 L265 I299	K138-Y303 HydrophobicContact CB-CE1 4.15Å; W139-Y303 HydrophobicContact CB-CE1 4.13Å; W139-Y303 PolarHBondContact N-OH 2.88Å; T175-Y303 HydrophobicContact CG2-CD2 4.48Å; P176-Y303 WeakPolarHBondContact CD-O 3.31Å; P176-Y303 WeakPolarHBondContact CG-O 3.22Å; L177-Y303 HydrophobicContact CD1-CD1 4.01Å; L177-Y303 HydrophobicContact CD1-CD2 3.96Å; L177-Y303 HydrophobicContact CD1-CE1 4.07Å; L177-Y303 HydrophobicContact CD1-CE2 4.03Å; L177-Y303 HydrophobicContact CD1-CG 3.95Å; L177-Y303 HydrophobicContact CD2-CD1 3.64Å; L177-Y303 HydrophobicContact CD2-CE1 3.97Å; L177-Y303 HydrophobicContact CD2-CG 4.19Å; L177-Y303 HydrophobicContact CG-CD1 4.05Å; L177-Y303 HydrophobicContact CG-CE1 4.49Å; L177-Y303 HydrophobicContact CG-CG 4.09Å; L265-Y303 HydrophobicContact CB-CE2 4.19Å; L265-Y303 VanDerWaalsContact O-CE2 3.29Å; L265-Y303 WeakPolarHBondContact O-CE2 3.14Å; L265-Y303 PolarHBondContact O-OH 2.87Å; I299-Y303 HydrophobicContact CD1-CD2 3.67Å; I299-Y303 HydrophobicContact CD1-CE2 3.66Å; I299-Y303 HydrophobicContact CG1-CD2 3.98Å; I299-Y303 HydrophobicContact CG1-CE2 4.46Å; I299-Y303 PolarHBondContact O-N 3.09Å
304	G	89.7	Confident	73.8	Confident	26 Å²	26	68.5 Å²	68.5	27%	0.268	38%	0.383	S	S	.	.			trans	88.8	179.8	-173.2	0	0	0	0	0	113.3	P176 Q300	P176-G304 VanDerWaalsContact CD-O 3.3Å; P176-G304 WeakPolarHBondContact CD-O 3.48Å; Q300-G304 WeakPolarHBondContact O-CA 3.46Å; Q300-G304 PolarHBondContact O-N 2.99Å
305	T	90.1	Very high	71.1	Confident	29 Å²	29	72.7 Å²	72.7	18%	0.178	41%	0.411	C	S	.	.			trans	-83.9	156.3	175	56	0	0	0	0	111.5	Q300 D307 G308 Q309	Q300-T305 HydrophobicContact CG-CG2 4.37Å; T305-D307 VanDerWaalsContact C-N 3.27Å; T305-D307 PolarHBondContact O-N 3.29Å; T305-G308 PolarHBondContact O-N 3.05Å; T305-Q309 PolarHBondContact OG1-O 2.87Å
306	P	83.8	Confident	68.3	Low	60 Å²	60	79.7 Å²	79.7	39%	0.39	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.7	178.6	-24.4	32.6	0	0	0	114	Q173 G308	Q173-P306 WeakPolarHBondContact O-CG 3.46Å; P306-G308 PolarHBondContact O-N 2.84Å; P306-G308 VanDerWaalsContact O-N 3.09Å
307	D	76.6	Confident	65.4	Low	149 Å²	149	83.3 Å²	83.3	80%	0.797	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	3.7	-178.2	-61	-41.5	0	0	0	114.1	T305 Q309	T305-D307 VanDerWaalsContact C-N 3.27Å; T305-D307 PolarHBondContact O-N 3.29Å; D307-Q309 PolarHBondContact O-N 3.5Å
308	G	59.4	Low	62.8	Low	61 Å²	61	84.6 Å²	84.6	63%	0.629	49%	0.491	S	S	*	.			trans	66.2	7.4	179.8	0	0	0	0	0	114.7	T305 P306 P310	T305-G308 PolarHBondContact O-N 3.05Å; P306-G308 PolarHBondContact O-N 2.84Å; P306-G308 VanDerWaalsContact O-N 3.09Å; G308-P310 VanDerWaalsContact O-CD 3.24Å; G308-P310 WeakPolarHBondContact O-CD 3.32Å
309	Q	50.3	Low	60.3	Low	148 Å²	148	90.7 Å²	90.7	69%	0.692	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-71.2	116.2	171.6	-70	-151.5	-24.8	0	0	109.3	T305 D307 Q311	T305-Q309 PolarHBondContact OG1-O 2.87Å; D307-Q309 PolarHBondContact O-N 3.5Å; Q309-Q311 PolarHBondContact O-N 2.86Å
310	P	41.9	Very low	57.4	Low	111 Å²	111	96.2 Å²	96.2	72%	0.721	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-61.1	133.7	172.3	23.8	-29.8	0	0	0	108.3	G308 P312	G308-P310 VanDerWaalsContact O-CD 3.24Å; G308-P310 WeakPolarHBondContact O-CD 3.32Å; P310-P312 VanDerWaalsContact O-N 3.12Å
311	Q	40.8	Very low	54.7	Low	103 Å²	103	100.2 Å²	100.2	48%	0.481	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-47.7	126.2	161.7	-81.8	-178.2	-0.8	0	0	106.6	Q309 T313	Q309-Q311 PolarHBondContact O-N 2.86Å; Q311-T313 VanDerWaalsContact C-N 3.33Å; Q311-T313 PolarHBondContact O-N 3.2Å
312	P	36.1	Very low	52	Low	121 Å²	121	106.7 Å²	106.7	79%	0.786	61%	0.61	S	S	*	*			trans	-57.9	108.2	174.1	21.8	-29.8	0	0	0	105.7	P310 Q314	P310-P312 VanDerWaalsContact O-N 3.12Å; P312-Q314 PolarHBondContact O-N 3.47Å
313	T	38.4	Very low	49.3	Very low	126 Å²	126	117 Å²	117	77%	0.773	65%	0.648	S	S	*	*			trans	-61.6	98.1	165.1	-23.9	0	0	0	0	102.5	Q311 P315	Q311-T313 VanDerWaalsContact C-N 3.33Å; Q311-T313 PolarHBondContact O-N 3.2Å; T313-P315 WeakPolarHBondContact O-CD 3.47Å
314	Q	35.9	Very low	46.9	Very low	176 Å²	176	121.9 Å²	121.9	82%	0.822	68%	0.682	S	S	*	*			trans	-54.3	112.9	165.1	-103.9	-175.4	-7.7	0	0	104.1	P312 L316	P312-Q314 PolarHBondContact O-N 3.47Å; Q314-L316 PolarHBondContact O-N 3.28Å; Q314-L316 VanDerWaalsContact O-N 3.16Å
315	P	30.4	Very low	44.2	Very low	104 Å²	104	124.5 Å²	124.5	68%	0.675	71%	0.709	S	S	*	*			trans	-59.2	129	169.7	-12.8	28.3	0	0	0	104.5	T313	T313-P315 WeakPolarHBondContact O-CD 3.47Å
316	L	33.6	Very low	41.5	Very low	151 Å²	151	134.7 Å²	134.7	79%	0.791	74%	0.744	S	S	*	*			trans	-44.7	135.5	156.1	-80.9	151.6	0	0	0	106.7	Q314 T318	Q314-L316 PolarHBondContact O-N 3.28Å; Q314-L316 VanDerWaalsContact O-N 3.16Å; L316-T318 PolarHBondContact O-N 3.18Å; L316-T318 PolarHBondContact O-OG1 3.48Å
317	P	31.7	Very low	39.7	Very low	120 Å²	120	136 Å²	136	78%	0.779	75%	0.753	S	S	*	*			trans	-52.3	107.9	-180	19.2	-29.9	0	0	0	107.7	V319	P317-V319 PolarHBondContact O-N 2.83Å
318	T	32.8	Very low	37.8	Very low	111 Å²	111	137.1 Å²	137.1	68%	0.681	76%	0.758	S	S	*	*			trans	-72.7	102.6	179.3	-64.7	0	0	0	0	104.9	L316 T320	L316-T318 PolarHBondContact O-N 3.18Å; L316-T318 PolarHBondContact O-OG1 3.48Å; T318-T320 PolarHBondContact O-N 3.46Å
319	V	38.2	Very low	37.1	Very low	132 Å²	132	142.7 Å²	142.7	80%	0.8	77%	0.768	S	S	*	*			trans	-56.3	113	161.2	177.5	0	0	0	0	105.4	P317	P317-V319 PolarHBondContact O-N 2.83Å
320	T	32.9	Very low	36.4	Very low	116 Å²	116	147 Å²	147	71%	0.712	78%	0.777	S	S	*	*			trans	-53.7	132.1	179.3	34.4	0	0	0	0	109.6	T318 R322	T318-T320 PolarHBondContact O-N 3.46Å; T320-R322 PolarHBondContact O-N 2.96Å; T320-R322 VanDerWaalsContact O-N 3.1Å
321	P	34.6	Very low	36.5	Very low	116 Å²	116	147.3 Å²	147.3	75%	0.753	78%	0.78	S	S	*	*			trans	-62.8	118.3	169.8	-14	27.1	0	0	0	107.6	R323	P321-R323 PolarHBondContact O-N 2.88Å
322	R	34.6	Very low	36.5	Very low	243 Å²	243	148.4 Å²	148.4	92%	0.917	80%	0.796	S	S	*	*			trans	-55.8	112.4	166.3	-95.3	-178	172.1	172.3	-2.1	107.9	T320	T320-R322 PolarHBondContact O-N 2.96Å; T320-R322 VanDerWaalsContact O-N 3.1Å
323	R	31.9	Very low	36.6	Very low	235 Å²	235	153.9 Å²	153.9	89%	0.887	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-63.6	129.7	172.6	-153.2	177.8	-169.3	-170.3	3.1	108.5	P321 G325	P321-R323 PolarHBondContact O-N 2.88Å; R323-G325 PolarHBondContact O-N 2.97Å
324	P	41	Very low	36.8	Very low	122 Å²	122	153.1 Å²	153.1	79%	0.792	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-66.3	116.5	171.1	-15	28.3	0	0	0	109.1	R326	P324-R326 PolarHBondContact O-N 2.96Å
325	G	33.4	Very low	37.1	Very low	80 Å²	80	150.7 Å²	150.7	83%	0.825	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.3	125.9	169.8	0	0	0	0	0	110.3	R323	R323-G325 PolarHBondContact O-N 2.97Å
326	R	34.3	Very low	37.7	Very low	243 Å²	243	154.8 Å²	154.8	92%	0.917	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76.5	160.6	162.2	-116.1	-154.1	156.4	160.9	-8.7	109.4	P324	P324-R326 PolarHBondContact O-N 2.96Å
327	P	44.5	Very low	38.1	Very low	89 Å²	89	153.2 Å²	153.2	58%	0.578	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-94.4	134	-149.2	25.7	-11.8	0	0	0	112.8
328	D	37.6	Very low	38.9	Very low	171 Å²	171	153.1 Å²	153.1	91%	0.914	81%	0.806	S	S	*	*			trans	-87.9	113.2	165.4	-83.1	-31.8	0	0	0	110
329	H	44.1	Very low	39.4	Very low	179 Å²	179	153.5 Å²	153.5	83%	0.829	81%	0.81	S	S	*	*			trans	-83.5	105.8	165.6	-72.6	-69.8	0	0	0	109.5
330	R	35.8	Very low	39.7	Very low	237 Å²	237	153.4 Å²	153.4	89%	0.894	81%	0.812	S	S	*	*			trans	-147.3	129.4	153.8	-156.6	174.4	-83	-162	-2.9	111.2
331	P	43.5	Very low	40	Very low	119 Å²	119	152 Å²	152	77%	0.773	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-75.6	164.6	-174.5	27.9	-32.4	0	0	0	114.3
332	P	41.1	Very low	40.1	Very low	125 Å²	125	150 Å²	150	81%	0.812	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-84.6	150.6	-155.9	33.1	-34.3	0	0	0	114.4
333	R	38.8	Very low	40.4	Very low	237 Å²	237	148.2 Å²	148.2	89%	0.894	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-94	138.6	169.7	-173	176.7	-78.2	-154.2	-2.3	110.5
334	P	42.4	Very low	40.7	Very low	109 Å²	109	143.1 Å²	143.1	71%	0.708	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-72.2	165.9	-177.4	-13.6	28.8	0	0	0	114.9
335	P	42.8	Very low	40.6	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-88.2	152.9	-161.1	35.1	-33.6	0	0	0	114.1
336	Q	41.8	Very low	40.9	Very low	190 Å²	190	153.1 Å²	153.1	89%	0.888	82%	0.823	S	S	*	*			trans	-112.9	147.8	164.1	-77.6	-174.8	-10.8	0	0	111.1
337	P	42.9	Very low	41.2	Very low	117 Å²	117	146.8 Å²	146.8	76%	0.76	81%	0.813	S	S	*	*			trans	-88.5	164.1	-164.6	30.3	-23.6	0	0	0	114.4
338	P	47.8	Very low	41	Very low	119 Å²	119	148.4 Å²	148.4	77%	0.773	82%	0.823	S	S	*	*			trans	-93.5	160.9	-169.3	37.4	-33	0	0	0	113
339	P	43.5	Very low	41	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	82%	0.819	S	S	*	*			trans	-107	160.9	148.9	31.4	-19.4	0	0	0	112
340	P	44.6	Very low	40.6	Very low	130 Å²	130	146.9 Å²	146.9	84%	0.844	82%	0.82	S	S	*	*			trans	-112	153.4	-139.9	34.7	-23.2	0	0	0	114.1
341	G	39.1	Very low	40.7	Very low	87 Å²	87	138.5 Å²	138.5	90%	0.897	81%	0.807	S	S	*	*			trans	109.6	99.3	150.3	0	0	0	0	0	115.9
342	G	35.8	Very low	40.8	Very low	73 Å²	73	138.6 Å²	138.6	75%	0.753	81%	0.808	S	S	*	*			trans	171.3	107.4	165.3	0	0	0	0	0	110.4
343	K	42.4	Very low	40.5	Very low	205 Å²	205	138.5 Å²	138.5	89%	0.891	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-55.9	138.1	-175.4	-64.7	170.7	178.4	175.6	0	111.7	E345	K343-E345 PolarHBondContact O-N 2.96Å
344	P	38.1	Very low	40.1	Very low	129 Å²	129	131.8 Å²	131.8	84%	0.838	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76.9	117.6	171	28	-30	0	0	0	110.9
345	E	38.1	Very low	39.9	Very low	192 Å²	192	135.1 Å²	135.1	90%	0.897	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-69.5	142.9	162.8	-100.8	177.3	162.6	0	0	110.8	K343	K343-E345 PolarHBondContact O-N 2.96Å
346	R	39.6	Very low	39.3	Very low	220 Å²	220	135.2 Å²	135.2	83%	0.83	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-66.4	141.7	-176.2	-164.2	-179.6	-142.2	-177.8	6	110.8
347	P	40.9	Very low	38.8	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61.8	136.6	171.2	-13.2	25.5	0	0	0	110	K349	P347-K349 PolarHBondContact O-N 2.85Å
348	P	39.5	Very low	38.2	Very low	123 Å²	123	136.3 Å²	136.3	80%	0.799	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.3	173.8	25.9	-30.2	0	0	0	109.4
349	K	38.6	Very low	37.5	Very low	187 Å²	187	136.3 Å²	136.3	81%	0.813	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-59	142.8	172.5	-76.2	178.7	175.3	179.9	0	109.6	P347 G351	P347-K349 PolarHBondContact O-N 2.85Å; K349-G351 PolarHBondContact O-N 3.43Å
350	P	36.2	Very low	36.9	Very low	132 Å²	132	140 Å²	140	86%	0.857	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-59.1	120.7	169.1	-17	29	0	0	0	109.3
351	G	37.8	Very low	36.4	Very low	60 Å²	60	144 Å²	144	62%	0.619	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-63.9	158.3	168.4	0	0	0	0	0	110.9	K349	K349-G351 PolarHBondContact O-N 3.43Å
352	P	45.1	Very low	36.4	Very low	122 Å²	122	143.8 Å²	143.8	79%	0.792	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.4	145.7	175.6	-15.8	28.7	0	0	0	110.1	A354	P352-A354 PolarHBondContact O-N 2.76Å
353	P	35.5	Very low	36.6	Very low	122 Å²	122	146.2 Å²	146.2	79%	0.792	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-55.1	130.3	-179	18.4	-26.9	0	0	0	109.8	Q355	P353-Q355 PolarHBondContact O-N 3.24Å; P353-Q355 VanDerWaalsContact O-N 3.14Å
354	A	29.9	Very low	36.9	Very low	96 Å²	96	142.1 Å²	142.1	79%	0.793	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-47.9	122.4	175.7	0	0	0	0	0	109.2	P352	P352-A354 PolarHBondContact O-N 2.76Å
355	Q	37	Very low	37.9	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-53.6	133	167.4	-74.5	177.6	-21.5	0	0	107.8	P353 R357	P353-Q355 PolarHBondContact O-N 3.24Å; P353-Q355 VanDerWaalsContact O-N 3.14Å; Q355-R357 PolarHBondContact O-N 3.27Å
356	P	31.1	Very low	39.3	Very low	127 Å²	127	131 Å²	131	83%	0.825	71%	0.713	S	S	*	*			trans	-58.8	114.6	176.9	22	-29.4	0	0	0	107.9	A358	P356-A358 PolarHBondContact O-N 3.07Å
357	R	30.6	Very low	41.5	Very low	244 Å²	244	122 Å²	122	92%	0.921	68%	0.683	S	S	*	*			trans	-48	131.3	170.9	-142.6	174	-172.8	-177.9	0.3	107.3	Q355 T359	Q355-R357 PolarHBondContact O-N 3.27Å; R357-T359 PolarHBondContact O-N 2.95Å; R357-T359 VanDerWaalsContact O-N 3.11Å
358	A	31.2	Very low	43.6	Very low	87 Å²	87	119.1 Å²	119.1	72%	0.719	66%	0.661	S	S	*	*	S	Bend	trans	-44.3	118.2	-178.9	0	0	0	0	0	110.9	P356	P356-A358 PolarHBondContact O-N 3.07Å
359	T	32.9	Very low	45.9	Very low	118 Å²	118	113.8 Å²	113.8	72%	0.724	63%	0.626	S	S	*	*			trans	32.7	98.9	154.8	55.3	0	0	0	0	115.8	R357 R361	R357-T359 PolarHBondContact O-N 2.95Å; R357-T359 VanDerWaalsContact O-N 3.11Å; T359-R361 VanDerWaalsContact C-N 3.34Å; T359-R361 PolarHBondContact O-N 2.89Å
360	E	31.8	Very low	48.4	Very low	196 Å²	196	107.5 Å²	107.5	92%	0.916	61%	0.605	S	S	*	*			trans	-48.5	113.3	134	-80.7	178.4	162.8	0	0	106.4
361	R	34.1	Very low	50.8	Low	216 Å²	216	106 Å²	106	82%	0.815	59%	0.59	S	S	*	*			trans	-50.7	134.5	176.4	-117.7	175.2	174.6	-176.2	-3	107.6	T359 D363	T359-R361 VanDerWaalsContact C-N 3.34Å; T359-R361 PolarHBondContact O-N 2.89Å; R361-D363 PolarHBondContact O-N 3.44Å
362	P	37.5	Very low	53.2	Low	82 Å²	82	103.2 Å²	103.2	53%	0.532	56%	0.56	S	S	.	*	S	Bend	trans	-56.8	130.7	176.9	-13.5	25.9	0	0	0	109	Q364	P362-Q364 PolarHBondContact O-N 3.09Å
363	D	41.4	Very low	55.3	Low	124 Å²	124	102.6 Å²	102.6	66%	0.663	55%	0.551	S	S	*	*	S	Bend	trans	-2.5	104.2	168.5	-55.9	-34.8	0	0	0	113.7	R361 Y365	R361-D363 PolarHBondContact O-N 3.44Å; D363-Y365 PolarHBondContact O-N 2.92Å
364	Q	47.7	Very low	58	Low	119 Å²	119	97 Å²	97	56%	0.556	51%	0.514	S	S	*	.			trans	-55.5	112.2	-172.7	-150.5	166.9	11.2	0	0	110	P362 G366 N368	P362-Q364 PolarHBondContact O-N 3.09Å; Q364-G366 PolarHBondContact O-N 3.23Å; Q364-N368 PolarHBondContact NE2-ND2 2.81Å
365	Y	59	Low	61.1	Low	70 Å²	70	95 Å²	95	28%	0.275	49%	0.49	S	S	.	.	S	Bend	trans	-66.4	96.3	173.9	174.8	-98.5	0	0	0	108.2	N272 P273 N274 D363 W391 P405	N272-Y365 WeakPolarHBondContact OD1-CE2 3.07Å; P273-Y365 HydrophobicContact CB-CE2 4.33Å; P273-Y365 WeakPolarHBondContact CB-OH 3.35Å; P273-Y365 HydrophobicContact CG-CE2 3.71Å; P273-Y365 WeakPolarHBondContact CG-OH 3.39Å; N274-Y365 PolarHBondContact ND2-OH 2.89Å; D363-Y365 PolarHBondContact O-N 2.92Å; Y365-W391 HydrophobicContact CD1-CZ3 4.24Å; Y365-W391 HydrophobicContact CE1-CH2 4.39Å; Y365-W391 AromaticContact CE1-CZ3 3.83Å; Y365-W391 HydrophobicContact CE1-CZ3 3.83Å; Y365-W391 HydrophobicContact CE2-CH2 4.4Å; Y365-W391 AromaticContact CZ-CZ3 3.99Å; Y365-P405 WeakPolarHBondContact CE1-O 3.37Å; Y365-P405 WeakPolarHBondContact O-CG 3.46Å
366	G	68.7	Low	63.8	Low	17 Å²	17	86.5 Å²	86.5	18%	0.175	45%	0.45	C	S	.	.	S	Bend	trans	89.1	172.8	-179.8	0	0	0	0	0	115.3	Q364 W391	Q364-G366 PolarHBondContact O-N 3.23Å; G366-W391 VanDerWaalsContact CA-CH2 3.5Å
367	P	85	Confident	66.8	Low	31 Å²	31	80.5 Å²	80.5	20%	0.201	41%	0.411	C	S	.	.			trans	-59.5	154.6	179.6	23.2	-32	0	0	0	111.7	W391 W393	P367-W391 HydrophobicContact CG-CB 4.08Å; P367-W391 HydrophobicContact CG-CD2 4.47Å; P367-W391 HydrophobicContact CG-CG 3.81Å; P367-W393 HydrophobicContact CB-CH2 4.24Å; P367-W393 HydrophobicContact CB-CZ2 4.31Å; P367-W393 HydrophobicContact CG-CH2 3.6Å; P367-W393 HydrophobicContact CG-CZ2 3.79Å; P367-W393 WeakPolarHBondContact O-CZ2 3.49Å
368	N	85.7	Confident	69.7	Low	48 Å²	48	68.9 Å²	68.9	26%	0.257	37%	0.368	S	S	.	.			trans	-83.8	131.7	172.9	-170.2	-22.8	0	0	0	108.8	Q364 C370 D371	Q364-N368 PolarHBondContact NE2-ND2 2.81Å; N368-C370 PolarHBondContact O-N 2.71Å; N368-C370 VanDerWaalsContact O-N 3.15Å; N368-C370 PolarHBondContact OD1-N 3.46Å; N368-D371 WeakPolarHBondContact CB-OD2 3.41Å; N368-D371 PolarHBondContact N-OD2 2.04Å; N368-D371 VanDerWaalsContact N-OD2 3.16Å; N368-D371 VanDerWaalsContact O-CB 3.3Å; N368-D371 WeakPolarHBondContact O-CB 3.16Å; N368-D371 PolarHBondContact O-N 3.47Å
369	I	88.2	Confident	72.4	Confident	12 Å²	12	67.1 Å²	67.1	6%	0.062	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-58.9	-29	176.9	-158.5	171.6	0	0	0	111.7	D371 G372 F374 W393 V395 V400 M557	I369-D371 PolarHBondContact O-N 3.43Å; I369-G372 PolarHBondContact O-N 3.41Å; I369-F374 HydrophobicContact CG1-CE1 3.97Å; I369-F374 HydrophobicContact CG1-CZ 3.88Å; I369-F374 VanDerWaalsContact O-CZ 3.27Å; I369-F374 WeakPolarHBondContact O-CZ 3.29Å; I369-W393 HydrophobicContact CB-CD2 4.4Å; I369-W393 HydrophobicContact CB-CZ2 4.4Å; I369-W393 HydrophobicContact CD1-CB 3.96Å; I369-W393 HydrophobicContact CD1-CD2 4.12Å; I369-W393 HydrophobicContact CD1-CG 3.77Å; I369-W393 HydrophobicContact CG1-CD2 4.11Å; I369-W393 HydrophobicContact CG1-CG 4.26Å; I369-V395 HydrophobicContact CD1-CG2 4.15Å; I369-V400 HydrophobicContact CB-CG2 4.48Å; I369-V400 HydrophobicContact CD1-CG2 3.32Å; I369-V400 HydrophobicContact CG1-CG2 4.44Å; I369-V400 HydrophobicContact CG2-CG2 3.96Å; I369-M557 HydrophobicContact CD1-CB 4.22Å; I369-M557 HydrophobicContact CD1-CG 4.18Å; I369-M557 HydrophobicContact CD1-SD 3.52Å; I369-M557 VanDerWaalsContact CD1-SD 3.52Å; I369-M557 HydrophobicContact CG1-CB 4.34Å; I369-M557 HydrophobicContact CG1-CG 4.24Å; I369-M557 HydrophobicContact CG1-SD 4.09Å; I369-M557 HydrophobicContact CG2-CB 4.48Å
370	C	89.4	Confident	74.9	Confident	54 Å²	54	61.5 Å²	61.5	37%	0.365	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-76	-6.4	179.3	-59	0	0	0	0	113.7	N368 G372 C559	N368-C370 PolarHBondContact O-N 2.71Å; N368-C370 VanDerWaalsContact O-N 3.15Å; N368-C370 PolarHBondContact OD1-N 3.46Å; C370-G372 PolarHBondContact O-N 2.99Å; C370-C559 WeakPolarHBondContact CA-SG 3.49Å; C370-C559 HydrophobicContact CB-CB 3.92Å; C370-C559 WeakPolarHBondContact CB-SG 3.24Å; C370-C559 WeakPolarHBondContact SG-CB 3.48Å; C370-C559 CovalentContact SG-SG 2.04Å; C370-C559 PolarHBondContact SG-SG 2.89Å
371	D	87.2	Confident	77.2	Confident	102 Å²	102	59.6 Å²	59.6	55%	0.545	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-69.9	-20.4	171	-59.2	-25.4	0	0	0	111.3	N368 I369	N368-D371 WeakPolarHBondContact CB-OD2 3.41Å; N368-D371 PolarHBondContact N-OD2 2.04Å; N368-D371 VanDerWaalsContact N-OD2 3.16Å; N368-D371 VanDerWaalsContact O-CB 3.3Å; N368-D371 WeakPolarHBondContact O-CB 3.16Å; N368-D371 PolarHBondContact O-N 3.47Å; I369-D371 PolarHBondContact O-N 3.43Å
372	G	87.7	Confident	79.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.			trans	66.3	-155.1	-178.7	0	0	0	0	0	114	I369 C370 K388	I369-G372 PolarHBondContact O-N 3.41Å; C370-G372 PolarHBondContact O-N 2.99Å; G372-K388 PolarHBondContact O-NZ 2.74Å
373	D	89.4	Confident	81.3	Confident	110 Å²	110	49.1 Å²	49.1	59%	0.588	27%	0.265	S	S	*	.			trans	52.4	65.8	-179.9	-158.5	40.4	0	0	0	113.2	K388	D373-K388 WeakPolarHBondContact O-CD 3.38Å; D373-K388 WeakPolarHBondContact O-CE 3.47Å
374	F	93.4	Very high	83.5	Confident	3 Å²	3	43.7 Å²	43.7	1%	0.013	24%	0.236	C	C	.	.			trans	-85.2	146.3	179.8	-48.3	-56.5	0	0	0	110.4	I369 V377 V386 F387 K388 Y529 I552 L553 M557	I369-F374 HydrophobicContact CG1-CE1 3.97Å; I369-F374 HydrophobicContact CG1-CZ 3.88Å; I369-F374 VanDerWaalsContact O-CZ 3.27Å; I369-F374 WeakPolarHBondContact O-CZ 3.29Å; F374-V377 HydrophobicContact CB-CG2 4.24Å; F374-V377 HydrophobicContact CD2-CG2 4.07Å; F374-V386 HydrophobicContact CB-CG1 3.94Å; F374-V386 HydrophobicContact CD1-CG1 3.35Å; F374-V386 HydrophobicContact CD2-CG1 3.64Å; F374-V386 HydrophobicContact CE1-CG1 3.65Å; F374-V386 HydrophobicContact CE2-CG1 3.92Å; F374-V386 HydrophobicContact CG-CG1 3.35Å; F374-V386 HydrophobicContact CZ-CG1 3.92Å; F374-F387 CarbonylContact C-O 3.44Å; F374-F387 WeakPolarHBondContact CB-O 3.49Å; F374-K388 HydrophobicContact CD1-CB 4.33Å; F374-K388 HydrophobicContact CD1-CD 4.3Å; F374-Y529 HydrophobicContact CB-CE1 3.89Å; F374-Y529 HydrophobicContact CD2-CE1 4.11Å; F374-Y529 HydrophobicContact CD2-CE2 4.18Å; F374-Y529 AromaticContact CD2-CZ 3.62Å; F374-Y529 WeakPolarHBondContact CD2-OH 3.36Å; F374-Y529 HydrophobicContact CG-CE1 4.49Å; F374-Y529 PolarHBondContact N-OH 3.34Å; F374-I552 HydrophobicContact CE2-CG2 4.29Å; F374-L553 HydrophobicContact CE2-CD2 3.97Å; F374-L553 HydrophobicContact CZ-CD2 3.77Å; F374-M557 HydrophobicContact CE2-CE 3.89Å; F374-M557 HydrophobicContact CE2-CG 4.28Å; F374-M557 HydrophobicContact CE2-SD 4.46Å; F374-M557 HydrophobicContact CZ-CE 4.44Å; F374-M557 HydrophobicContact CZ-CG 4.19Å; F374-M557 HydrophobicContact CZ-SD 4.45Å
375	D	93.2	Very high	85.6	Confident	54 Å²	54	38.4 Å²	38.4	29%	0.289	21%	0.211	S	C	.	.	S	Bend	trans	-68.5	-46.7	177.1	-65	-31.3	0	0	0	110.6	F387 G389	D375-F387 PolarHBondContact N-O 2.89Å; D375-G389 WeakPolarHBondContact OD2-CA 3.39Å; D375-G389 PolarHBondContact OD2-N 2.99Å
376	T	94	Very high	87.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.5	173.3	-177.7	0	0	0	0	113.2	F387 I419 K515	T376-F387 HydrophobicContact CG2-CB 3.91Å; T376-F387 HydrophobicContact CG2-CD2 3.85Å; T376-F387 HydrophobicContact CG2-CG 4.14Å; T376-F387 PolarHBondContact N-O 3.31Å; T376-F387 PolarHBondContact O-N 3.22Å; T376-I419 HydrophobicContact CG2-CD1 3.67Å; T376-I419 HydrophobicContact CG2-CG1 3.77Å; T376-K515 WeakPolarHBondContact CA-O 3.47Å; T376-K515 PolarHBondContact OG1-O 3.25Å
377	V	94.6	Very high	88.3	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.4	172.9	-177.1	0	0	0	0	108.3	F374 M384 F385 V386 F518 Y529 I552	F374-V377 HydrophobicContact CB-CG2 4.24Å; F374-V377 HydrophobicContact CD2-CG2 4.07Å; V377-M384 HydrophobicContact CG1-CE 4.41Å; V377-M384 HydrophobicContact CG1-CG 3.86Å; V377-M384 HydrophobicContact CG1-SD 3.99Å; V377-F385 WeakPolarHBondContact CA-O 3.38Å; V377-V386 HydrophobicContact CG1-CG2 4.34Å; V377-V386 HydrophobicContact CG2-CG1 4.27Å; V377-V386 HydrophobicContact CG2-CG2 4.45Å; V377-F518 HydrophobicContact CG1-CD1 4.15Å; V377-F518 HydrophobicContact CG1-CE1 4.03Å; V377-Y529 HydrophobicContact CB-CD1 4.44Å; V377-Y529 HydrophobicContact CG2-CD1 3.79Å; V377-Y529 HydrophobicContact CG2-CE1 4.05Å; V377-Y529 HydrophobicContact CG2-CG 4.25Å; V377-I552 HydrophobicContact CG2-CD1 4.49Å
378	A	92.2	Very high	88.7	Confident	1 Å²	1	35 Å²	35	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.9	-177.5	0	0	0	0	0	111.2	L380 F385 A422	A378-L380 HydrophobicContact CB-CD2 4.47Å; A378-L380 HydrophobicContact CB-CG 4.45Å; A378-F385 PolarHBondContact N-O 2.94Å; A378-F385 PolarHBondContact O-N 2.94Å; A378-A422 HydrophobicContact CB-CB 3.97Å; A378-A422 VanDerWaalsContact CB-O 3.23Å; A378-A422 WeakPolarHBondContact CB-O 3.13Å
379	M	88.3	Confident	88.8	Confident	50 Å²	50	34.1 Å²	34.1	25%	0.246	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.5	169.1	-169.1	66.8	64	0	0	108.2	E383 M384 F518	M379-E383 WeakPolarHBondContact CA-O 3.3Å; M379-E383 PolarHBondContact SD-N 2.95Å; M379-M384 HydrophobicContact CE-CB 4.21Å; M379-M384 HydrophobicContact CE-CE 4.41Å; M379-F518 HydrophobicContact CB-CB 3.98Å; M379-F518 HydrophobicContact CE-CD2 4.25Å
380	L	83.6	Confident	88.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	124.3	177.8	-52.5	173.8	0	0	0	108.2	A378 G382 E383 F385 W412 E424 F430 F432	A378-L380 HydrophobicContact CB-CD2 4.47Å; A378-L380 HydrophobicContact CB-CG 4.45Å; L380-G382 PolarHBondContact O-N 3.46Å; L380-E383 PolarHBondContact N-O 3.22Å; L380-E383 PolarHBondContact O-N 3.18Å; L380-F385 HydrophobicContact CB-CD2 3.71Å; L380-F385 HydrophobicContact CB-CE2 3.78Å; L380-F385 HydrophobicContact CD1-CB 4.38Å; L380-F385 HydrophobicContact CD1-CD2 3.95Å; L380-F385 HydrophobicContact CD1-CE2 4.39Å; L380-F385 HydrophobicContact CD1-CG 4.11Å; L380-F385 HydrophobicContact CG-CD2 4.01Å; L380-F385 HydrophobicContact CG-CE2 4.5Å; L380-W412 HydrophobicContact CD1-CZ2 4.48Å; L380-E424 HydrophobicContact CD2-CB 4.02Å; L380-F430 HydrophobicContact CB-CD1 4.33Å; L380-F430 HydrophobicContact CB-CE1 4.02Å; L380-F430 HydrophobicContact CB-CE2 4.48Å; L380-F430 HydrophobicContact CB-CZ 4.09Å; L380-F430 HydrophobicContact CD1-CD2 4.28Å; L380-F430 HydrophobicContact CD1-CG 4.34Å; L380-F430 HydrophobicContact CD2-CB 4.48Å; L380-F430 HydrophobicContact CD2-CD1 3.96Å; L380-F430 HydrophobicContact CD2-CE1 4.46Å; L380-F430 HydrophobicContact CD2-CG 4.21Å; L380-F432 HydrophobicContact CD1-CE1 4.48Å; L380-F432 HydrophobicContact CD1-CZ 4.23Å
381	R	81.6	Confident	88.3	Confident	156 Å²	156	36 Å²	36	59%	0.589	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.4	-175.1	-64.9	179.2	70.9	170.9	13.7	113.9	E383 E424 F430 E443	R381-E383 VanDerWaalsContact C-N 3.26Å; R381-E383 PolarHBondContact O-N 3.17Å; R381-E424 PolarHBondContact N-OE2 2.85Å; R381-F430 HydrophobicContact CG-CE1 3.84Å; R381-F430 HydrophobicContact CG-CZ 3.63Å; R381-E443 IonicContact CZ-OE1 3.54Å; R381-E443 IonicContact NH1-OE1 2.8Å; R381-E443 PolarHBondContact NH1-OE1 2.95Å; R381-E443 IonicContact NH1-OE2 2.7Å; R381-E443 IonicContact NH2-OE1 3.89Å
382	G	76.2	Confident	88.3	Confident	62 Å²	62	31.2 Å²	31.2	64%	0.639	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.7	12	-179.1	0	0	0	0	0	114.9	L380	L380-G382 PolarHBondContact O-N 3.46Å
383	E	81.6	Confident	88.4	Confident	16 Å²	16	31.4 Å²	31.4	8%	0.075	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	145.4	170.4	-52	-176.6	125.4	0	0	111.6	M379 L380 R381 F385 R394 R396	M379-E383 WeakPolarHBondContact CA-O 3.3Å; M379-E383 PolarHBondContact SD-N 2.95Å; L380-E383 PolarHBondContact N-O 3.22Å; L380-E383 PolarHBondContact O-N 3.18Å; R381-E383 VanDerWaalsContact C-N 3.26Å; R381-E383 PolarHBondContact O-N 3.17Å; E383-F385 HydrophobicContact CB-CD2 4.27Å; E383-F385 HydrophobicContact CB-CE2 3.81Å; E383-F385 WeakPolarHBondContact O-CD2 3.07Å; E383-F385 PolarHBondContact O-N 2.97Å; E383-R394 IonicContact OE1-CZ 3.34Å; E383-R394 IonicContact OE1-NE 3.84Å; E383-R394 IonicContact OE1-NH2 3.37Å; E383-R394 PolarHBondContact OE1-NH2 3.32Å; E383-R394 IonicContact OE2-CZ 2.59Å; E383-R394 IonicContact OE2-NE 3.7Å; E383-R394 PolarHBondContact OE2-NE 3.13Å; E383-R394 IonicContact OE2-NH2 2.71Å; E383-R394 PolarHBondContact OE2-NH2 3.32Å; E383-R396 IonicContact OE1-CZ 2.73Å; E383-R396 IonicContact OE1-NE 3.06Å; E383-R396 PolarHBondContact OE1-NE 2.97Å; E383-R396 IonicContact OE1-NH2 4Å; E383-R396 PolarHBondContact OE1-NH2 3.34Å
384	M	87.4	Confident	88	Confident	10 Å²	10	28.7 Å²	28.7	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	121.1	175	177.4	176.2	-67.1	0	0	109.8	V377 M379 V386 R394 V395 F518 F556 M557	V377-M384 HydrophobicContact CG1-CE 4.41Å; V377-M384 HydrophobicContact CG1-CG 3.86Å; V377-M384 HydrophobicContact CG1-SD 3.99Å; M379-M384 HydrophobicContact CE-CB 4.21Å; M379-M384 HydrophobicContact CE-CE 4.41Å; M384-V386 HydrophobicContact CG-CG2 4.05Å; M384-V386 HydrophobicContact SD-CG2 4.32Å; M384-R394 WeakPolarHBondContact O-CA 3.42Å; M384-V395 HydrophobicContact CB-CB 4.15Å; M384-V395 HydrophobicContact CG-CB 4.36Å; M384-V395 PolarHBondContact N-O 3.18Å; M384-V395 PolarHBondContact O-N 2.83Å; M384-V395 HydrophobicContact SD-CB 4.47Å; M384-F518 HydrophobicContact CE-CD1 4.44Å; M384-F518 HydrophobicContact CE-CD2 4.28Å; M384-F518 HydrophobicContact CE-CE1 3.86Å; M384-F518 HydrophobicContact CE-CE2 3.66Å; M384-F518 HydrophobicContact CE-CZ 3.43Å; M384-F518 VanDerWaalsContact CE-CZ 3.43Å; M384-F556 HydrophobicContact CE-CD1 3.44Å; M384-F556 VanDerWaalsContact CE-CD1 3.44Å; M384-F556 HydrophobicContact CE-CE1 3.74Å; M384-F556 HydrophobicContact CE-CG 4.17Å; M384-F556 HydrophobicContact SD-CB 4.3Å; M384-F556 HydrophobicContact SD-CD1 4.17Å; M384-F556 HydrophobicContact SD-CG 4.49Å; M384-M557 HydrophobicContact SD-CE 3.91Å
385	F	90.3	Very high	87.6	Confident	8 Å²	8	28.9 Å²	28.9	4%	0.035	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.5	171.6	-72.5	-99.8	0	0	0	109.5	V377 A378 L380 E383 F387 F392 W393 R394 W412	V377-F385 WeakPolarHBondContact CA-O 3.38Å; A378-F385 PolarHBondContact N-O 2.94Å; A378-F385 PolarHBondContact O-N 2.94Å; L380-F385 HydrophobicContact CB-CD2 3.71Å; L380-F385 HydrophobicContact CB-CE2 3.78Å; L380-F385 HydrophobicContact CD1-CB 4.38Å; L380-F385 HydrophobicContact CD1-CD2 3.95Å; L380-F385 HydrophobicContact CD1-CE2 4.39Å; L380-F385 HydrophobicContact CD1-CG 4.11Å; L380-F385 HydrophobicContact CG-CD2 4.01Å; L380-F385 HydrophobicContact CG-CE2 4.5Å; E383-F385 HydrophobicContact CB-CD2 4.27Å; E383-F385 HydrophobicContact CB-CE2 3.81Å; E383-F385 WeakPolarHBondContact O-CD2 3.07Å; E383-F385 PolarHBondContact O-N 2.97Å; F385-F387 HydrophobicContact CB-CD2 4.38Å; F385-F387 HydrophobicContact CB-CE2 3.54Å; F385-F387 HydrophobicContact CB-CZ 3.98Å; F385-F387 HydrophobicContact CD1-CZ 4.49Å; F385-F392 AromaticContact CD1-CD2 3.86Å; F385-F392 HydrophobicContact CD1-CD2 3.86Å; F385-F392 HydrophobicContact CD1-CE2 4.02Å; F385-F392 HydrophobicContact CE1-CD2 4.29Å; F385-F392 AromaticContact CE1-CE2 3.96Å; F385-F392 HydrophobicContact CE1-CE2 3.96Å; F385-W393 WeakPolarHBondContact CA-O 3.17Å; F385-R394 HydrophobicContact CD1-CG 3.65Å; F385-R394 HydrophobicContact CE1-CG 3.31Å; F385-R394 HydrophobicContact CE2-CG 4.39Å; F385-R394 HydrophobicContact CG-CG 4.37Å; F385-R394 HydrophobicContact CZ-CG 3.72Å; F385-W412 AromaticContact CD1-CH2 3.54Å; F385-W412 HydrophobicContact CD1-CH2 3.54Å; F385-W412 HydrophobicContact CD1-CZ2 4.17Å; F385-W412 AromaticContact CE1-CH2 3.58Å; F385-W412 HydrophobicContact CE1-CH2 3.58Å; F385-W412 AromaticContact CE1-CZ2 3.91Å; F385-W412 HydrophobicContact CE1-CZ2 3.91Å
386	V	93.2	Very high	86.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	125.7	179.9	-178	0	0	0	0	107.6	F374 V377 M384 F392 W393 V395 M557	F374-V386 HydrophobicContact CB-CG1 3.94Å; F374-V386 HydrophobicContact CD1-CG1 3.35Å; F374-V386 HydrophobicContact CD2-CG1 3.64Å; F374-V386 HydrophobicContact CE1-CG1 3.65Å; F374-V386 HydrophobicContact CE2-CG1 3.92Å; F374-V386 HydrophobicContact CG-CG1 3.35Å; F374-V386 HydrophobicContact CZ-CG1 3.92Å; V377-V386 HydrophobicContact CG1-CG2 4.34Å; V377-V386 HydrophobicContact CG2-CG1 4.27Å; V377-V386 HydrophobicContact CG2-CG2 4.45Å; M384-V386 HydrophobicContact CG-CG2 4.05Å; M384-V386 HydrophobicContact SD-CG2 4.32Å; V386-F392 CarbonylContact O-C 3.58Å; V386-F392 WeakPolarHBondContact O-CA 3.15Å; V386-F392 WeakPolarHBondContact O-CB 3.41Å; V386-W393 HydrophobicContact CB-CB 4.43Å; V386-W393 HydrophobicContact CB-CE3 4.21Å; V386-W393 HydrophobicContact CG1-CE3 4.09Å; V386-W393 PolarHBondContact N-O 3.37Å; V386-W393 PolarHBondContact O-N 3.01Å; V386-V395 HydrophobicContact CG2-CG2 4.05Å; V386-M557 HydrophobicContact CG2-CE 3.55Å; V386-M557 HydrophobicContact CG2-SD 3.96Å
387	F	92.7	Very high	86	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.1	-177.1	-63.5	-94.4	0	0	0	110.8	F374 D375 T376 F385 F392 I408 W412 I419 F432	F374-F387 CarbonylContact C-O 3.44Å; F374-F387 WeakPolarHBondContact CB-O 3.49Å; D375-F387 PolarHBondContact N-O 2.89Å; T376-F387 HydrophobicContact CG2-CB 3.91Å; T376-F387 HydrophobicContact CG2-CD2 3.85Å; T376-F387 HydrophobicContact CG2-CG 4.14Å; T376-F387 PolarHBondContact N-O 3.31Å; T376-F387 PolarHBondContact O-N 3.22Å; F385-F387 HydrophobicContact CB-CD2 4.38Å; F385-F387 HydrophobicContact CB-CE2 3.54Å; F385-F387 HydrophobicContact CB-CZ 3.98Å; F385-F387 HydrophobicContact CD1-CZ 4.49Å; F387-F392 HydrophobicContact CD1-CB 3.59Å; F387-F392 HydrophobicContact CE1-CB 3.8Å; F387-F392 HydrophobicContact CE1-CG 4.29Å; F387-F392 HydrophobicContact CG-CB 4.22Å; F387-I408 HydrophobicContact CD1-CD1 3.82Å; F387-I408 HydrophobicContact CD1-CG1 4.05Å; F387-I408 HydrophobicContact CE1-CD1 4.49Å; F387-I408 HydrophobicContact CE1-CG1 4.4Å; F387-W412 HydrophobicContact CE1-CE3 4.24Å; F387-W412 AromaticContact CE1-CH2 3.89Å; F387-W412 HydrophobicContact CE1-CH2 3.89Å; F387-W412 AromaticContact CE1-CZ3 3.54Å; F387-W412 HydrophobicContact CE1-CZ3 3.54Å; F387-W412 AromaticContact CZ-CH2 3.7Å; F387-W412 HydrophobicContact CZ-CH2 3.7Å; F387-W412 HydrophobicContact CZ-CZ2 4.46Å; F387-W412 AromaticContact CZ-CZ3 3.87Å; F387-W412 HydrophobicContact CZ-CZ3 3.87Å; F387-I419 HydrophobicContact CB-CD1 4.22Å; F387-I419 HydrophobicContact CB-CG1 4.16Å; F387-I419 HydrophobicContact CD1-CD1 3.61Å; F387-I419 HydrophobicContact CD1-CG1 4.11Å; F387-I419 HydrophobicContact CD2-CD1 3.86Å; F387-I419 HydrophobicContact CE1-CD1 3.81Å; F387-I419 HydrophobicContact CE2-CD1 4.04Å; F387-I419 HydrophobicContact CG-CD1 3.63Å; F387-I419 HydrophobicContact CG-CG1 4.09Å; F387-I419 HydrophobicContact CZ-CD1 4.03Å; F387-F432 HydrophobicContact CE1-CE1 4.34Å; F387-F432 AromaticContact CZ-CE1 3.84Å; F387-F432 HydrophobicContact CZ-CE1 3.84Å
388	K	92	Very high	85.2	Confident	47 Å²	47	44.9 Å²	44.9	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	113.2	175.5	-173	174.9	-179.9	167.3	0	111.1	G372 D373 F374 R390 W391 W393	G372-K388 PolarHBondContact O-NZ 2.74Å; D373-K388 WeakPolarHBondContact O-CD 3.38Å; D373-K388 WeakPolarHBondContact O-CE 3.47Å; F374-K388 HydrophobicContact CD1-CB 4.33Å; F374-K388 HydrophobicContact CD1-CD 4.3Å; K388-R390 PolarHBondContact O-N 3.29Å; K388-W391 PolarHBondContact N-O 2.92Å; K388-W391 WeakPolarHBondContact O-CB 3.2Å; K388-W391 PolarHBondContact O-N 2.81Å; K388-W393 HydrophobicContact CB-CH2 3.9Å; K388-W393 HydrophobicContact CB-CZ3 3.62Å; K388-W393 HydrophobicContact CD-CH2 4.42Å
389	G	87.6	Confident	84.4	Confident	28 Å²	28	52.6 Å²	52.6	29%	0.289	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	-132.3	-166.7	0	0	0	0	0	110.2	D375 W391 I408 S417	D375-G389 WeakPolarHBondContact OD2-CA 3.39Å; D375-G389 PolarHBondContact OD2-N 2.99Å; G389-W391 PolarHBondContact O-N 3.34Å; G389-W391 VanDerWaalsContact O-N 3.11Å; G389-I408 VanDerWaalsContact O-CD1 3.25Å; G389-I408 WeakPolarHBondContact O-CD1 3.37Å; G389-S417 CarbonylContact C-O 3.51Å
390	R	81.9	Confident	84	Confident	68 Å²	68	51.6 Å²	51.6	26%	0.257	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	3	178.7	70.2	-178.9	-73.6	169.1	-6.9	116	N274 K388 P407 I408 S417	N274-R390 PolarHBondContact O-NH2 3.06Å; N274-R390 PolarHBondContact OD1-NE 3.42Å; N274-R390 PolarHBondContact OD1-NH2 3.33Å; K388-R390 PolarHBondContact O-N 3.29Å; R390-P407 CarbonylContact O-C 3.57Å; R390-P407 VanDerWaalsContact O-CA 3.25Å; R390-P407 WeakPolarHBondContact O-CA 3.21Å; R390-I408 PolarHBondContact O-N 2.82Å; R390-S417 WeakPolarHBondContact CA-O 3.46Å; R390-S417 PolarHBondContact N-O 2.82Å
391	W	85.7	Confident	83.3	Confident	38 Å²	38	54.1 Å²	54.1	14%	0.144	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.8	-171	-54.1	95.1	0	0	0	111.1	N274 Y365 G366 P367 K388 G389 W393 P405 M406 P407	N274-W391 HydrophobicContact CB-CH2 4.26Å; N274-W391 VanDerWaalsContact CG-CH2 3.42Å; N274-W391 WeakPolarHBondContact ND2-CH2 3.48Å; N274-W391 WeakPolarHBondContact ND2-CZ3 3.3Å; Y365-W391 HydrophobicContact CD1-CZ3 4.24Å; Y365-W391 HydrophobicContact CE1-CH2 4.39Å; Y365-W391 AromaticContact CE1-CZ3 3.83Å; Y365-W391 HydrophobicContact CE1-CZ3 3.83Å; Y365-W391 HydrophobicContact CE2-CH2 4.4Å; Y365-W391 AromaticContact CZ-CZ3 3.99Å; G366-W391 VanDerWaalsContact CA-CH2 3.5Å; P367-W391 HydrophobicContact CG-CB 4.08Å; P367-W391 HydrophobicContact CG-CD2 4.47Å; P367-W391 HydrophobicContact CG-CG 3.81Å; K388-W391 PolarHBondContact N-O 2.92Å; K388-W391 WeakPolarHBondContact O-CB 3.2Å; K388-W391 PolarHBondContact O-N 2.81Å; G389-W391 PolarHBondContact O-N 3.34Å; G389-W391 VanDerWaalsContact O-N 3.11Å; W391-W393 HydrophobicContact CB-CH2 4.29Å; W391-W393 HydrophobicContact CB-CZ3 4.48Å; W391-P405 HydrophobicContact CB-CB 4.14Å; W391-P405 HydrophobicContact CD2-CB 4.33Å; W391-P405 HydrophobicContact CE3-CB 3.77Å; W391-P405 HydrophobicContact CE3-CG 4.09Å; W391-P405 HydrophobicContact CZ3-CB 4.38Å; W391-P405 HydrophobicContact CZ3-CG 4.29Å; W391-M406 CarbonylContact C-O 3.48Å; W391-M406 VanDerWaalsContact CA-O 3.32Å; W391-M406 WeakPolarHBondContact CA-O 3.24Å; W391-P407 HydrophobicContact CZ3-CG 4.48Å
392	F	88	Confident	82.2	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.8	167.7	77.7	-78.9	0	0	0	111.3	F385 V386 F387 R394 Y404 P405 M406 P407 I408 F411 W412	F385-F392 AromaticContact CD1-CD2 3.86Å; F385-F392 HydrophobicContact CD1-CD2 3.86Å; F385-F392 HydrophobicContact CD1-CE2 4.02Å; F385-F392 HydrophobicContact CE1-CD2 4.29Å; F385-F392 AromaticContact CE1-CE2 3.96Å; F385-F392 HydrophobicContact CE1-CE2 3.96Å; V386-F392 CarbonylContact O-C 3.58Å; V386-F392 WeakPolarHBondContact O-CA 3.15Å; V386-F392 WeakPolarHBondContact O-CB 3.41Å; F387-F392 HydrophobicContact CD1-CB 3.59Å; F387-F392 HydrophobicContact CE1-CB 3.8Å; F387-F392 HydrophobicContact CE1-CG 4.29Å; F387-F392 HydrophobicContact CG-CB 4.22Å; F392-R394 HydrophobicContact CE2-CG 4.23Å; F392-Y404 HydrophobicContact CD2-CE1 4.02Å; F392-Y404 HydrophobicContact CE2-CD1 4.42Å; F392-Y404 AromaticContact CE2-CE1 3.5Å; F392-Y404 HydrophobicContact CE2-CE1 3.5Å; F392-Y404 AromaticContact CZ-CE1 3.8Å; F392-Y404 HydrophobicContact CZ-CE1 3.8Å; F392-Y404 WeakPolarHBondContact O-CD1 3.17Å; F392-P405 WeakPolarHBondContact O-CA 3.07Å; F392-M406 HydrophobicContact CD1-CB 4.25Å; F392-M406 WeakPolarHBondContact CD1-O 3.23Å; F392-M406 HydrophobicContact CE1-CB 3.71Å; F392-M406 HydrophobicContact CZ-CB 4.06Å; F392-M406 PolarHBondContact N-O 2.9Å; F392-M406 PolarHBondContact O-N 2.94Å; F392-P407 WeakPolarHBondContact CE1-O 3.5Å; F392-I408 HydrophobicContact CB-CG1 4.36Å; F392-I408 HydrophobicContact CD1-CG1 4.15Å; F392-F411 HydrophobicContact CE1-CB 3.85Å; F392-F411 HydrophobicContact CZ-CB 3.61Å; F392-F411 HydrophobicContact CZ-CD2 4.33Å; F392-F411 AromaticContact CZ-CG 3.97Å; F392-F411 HydrophobicContact CZ-CG 3.97Å; F392-W412 AromaticContact CD1-CZ3 3.82Å; F392-W412 HydrophobicContact CD1-CZ3 3.82Å; F392-W412 AromaticContact CD2-CH2 3.94Å; F392-W412 HydrophobicContact CD2-CH2 3.94Å; F392-W412 AromaticContact CD2-CZ3 3.75Å; F392-W412 HydrophobicContact CD2-CZ3 3.75Å; F392-W412 HydrophobicContact CE1-CE3 4.37Å; F392-W412 AromaticContact CE1-CZ3 3.79Å; F392-W412 HydrophobicContact CE1-CZ3 3.79Å; F392-W412 AromaticContact CE2-CH2 3.79Å; F392-W412 HydrophobicContact CE2-CH2 3.79Å; F392-W412 AromaticContact CE2-CZ3 3.69Å; F392-W412 HydrophobicContact CE2-CZ3 3.69Å; F392-W412 HydrophobicContact CG-CH2 4.42Å; F392-W412 AromaticContact CG-CZ3 3.81Å; F392-W412 HydrophobicContact CG-CZ3 3.81Å; F392-W412 HydrophobicContact CZ-CH2 4.19Å; F392-W412 AromaticContact CZ-CZ3 3.72Å; F392-W412 HydrophobicContact CZ-CZ3 3.72Å
393	W	89.3	Confident	81.3	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.015	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.4	172.1	-60.2	-100.2	0	0	0	109.7	P367 I369 F385 V386 K388 W391 V400 P405	P367-W393 HydrophobicContact CB-CH2 4.24Å; P367-W393 HydrophobicContact CB-CZ2 4.31Å; P367-W393 HydrophobicContact CG-CH2 3.6Å; P367-W393 HydrophobicContact CG-CZ2 3.79Å; P367-W393 WeakPolarHBondContact O-CZ2 3.49Å; I369-W393 HydrophobicContact CB-CD2 4.4Å; I369-W393 HydrophobicContact CB-CZ2 4.4Å; I369-W393 HydrophobicContact CD1-CB 3.96Å; I369-W393 HydrophobicContact CD1-CD2 4.12Å; I369-W393 HydrophobicContact CD1-CG 3.77Å; I369-W393 HydrophobicContact CG1-CD2 4.11Å; I369-W393 HydrophobicContact CG1-CG 4.26Å; F385-W393 WeakPolarHBondContact CA-O 3.17Å; V386-W393 HydrophobicContact CB-CB 4.43Å; V386-W393 HydrophobicContact CB-CE3 4.21Å; V386-W393 HydrophobicContact CG1-CE3 4.09Å; V386-W393 PolarHBondContact N-O 3.37Å; V386-W393 PolarHBondContact O-N 3.01Å; K388-W393 HydrophobicContact CB-CH2 3.9Å; K388-W393 HydrophobicContact CB-CZ3 3.62Å; K388-W393 HydrophobicContact CD-CH2 4.42Å; W391-W393 HydrophobicContact CB-CH2 4.29Å; W391-W393 HydrophobicContact CB-CZ3 4.48Å; W393-V400 HydrophobicContact CB-CG1 4.23Å; W393-V400 HydrophobicContact CG-CG1 4.28Å; W393-P405 HydrophobicContact CD2-CB 4.22Å; W393-P405 HydrophobicContact CZ2-CB 3.72Å; W393-P405 HydrophobicContact CZ2-CG 4.2Å
394	R	82.3	Confident	80.7	Confident	54 Å²	54	55.6 Å²	55.6	20%	0.204	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.5	163.8	-74.6	168	74	-161	-1.9	109.3	E383 M384 F385 F392 L401 Y404	E383-R394 IonicContact OE1-CZ 3.34Å; E383-R394 IonicContact OE1-NE 3.84Å; E383-R394 IonicContact OE1-NH2 3.37Å; E383-R394 PolarHBondContact OE1-NH2 3.32Å; E383-R394 IonicContact OE2-CZ 2.59Å; E383-R394 IonicContact OE2-NE 3.7Å; E383-R394 PolarHBondContact OE2-NE 3.13Å; E383-R394 IonicContact OE2-NH2 2.71Å; E383-R394 PolarHBondContact OE2-NH2 3.32Å; M384-R394 WeakPolarHBondContact O-CA 3.42Å; F385-R394 HydrophobicContact CD1-CG 3.65Å; F385-R394 HydrophobicContact CE1-CG 3.31Å; F385-R394 HydrophobicContact CE2-CG 4.39Å; F385-R394 HydrophobicContact CG-CG 4.37Å; F385-R394 HydrophobicContact CZ-CG 3.72Å; F392-R394 HydrophobicContact CE2-CG 4.23Å; R394-L401 HydrophobicContact CB-CD1 3.74Å; R394-L401 HydrophobicContact CB-CG 4.21Å; R394-L401 PolarHBondContact O-N 3.04Å; R394-Y404 HydrophobicContact CB-CE1 4.41Å; R394-Y404 HydrophobicContact CB-CE2 4.15Å; R394-Y404 WeakPolarHBondContact CD-OH 3.38Å; R394-Y404 HydrophobicContact CG-CE1 4.2Å
395	V	83.8	Confident	80.1	Confident	6 Å²	6	55.7 Å²	55.7	4%	0.036	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.2	-178	-175.4	0	0	0	0	108.7	I369 M384 V386 R399 V400 F556 M557	I369-V395 HydrophobicContact CD1-CG2 4.15Å; M384-V395 HydrophobicContact CB-CB 4.15Å; M384-V395 HydrophobicContact CG-CB 4.36Å; M384-V395 PolarHBondContact N-O 3.18Å; M384-V395 PolarHBondContact O-N 2.83Å; M384-V395 HydrophobicContact SD-CB 4.47Å; V386-V395 HydrophobicContact CG2-CG2 4.05Å; V395-R399 WeakPolarHBondContact CA-O 3.27Å; V395-V400 HydrophobicContact CG2-CG2 4.26Å; V395-F556 WeakPolarHBondContact CG1-O 3.41Å; V395-M557 HydrophobicContact CG2-SD 4.01Å
396	R	77.7	Confident	79.1	Confident	125 Å²	125	57.2 Å²	57.2	47%	0.472	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.3	173.9	-72.5	-169.6	179.5	-166.8	-3	109.3	E383 N398 R399 L401	E383-R396 IonicContact OE1-CZ 2.73Å; E383-R396 IonicContact OE1-NE 3.06Å; E383-R396 PolarHBondContact OE1-NE 2.97Å; E383-R396 IonicContact OE1-NH2 4Å; E383-R396 PolarHBondContact OE1-NH2 3.34Å; R396-N398 PolarHBondContact O-N 2.97Å; R396-R399 PolarHBondContact N-O 3.48Å; R396-R399 PolarHBondContact O-N 2.86Å; R396-L401 HydrophobicContact CB-CD2 4.29Å; R396-L401 HydrophobicContact CG-CD2 4.34Å
397	H	75.5	Confident	78.1	Confident	182 Å²	182	57.4 Å²	57.4	84%	0.843	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.9	177.4	-51.7	106.1	0	0	0	113.3	R399	H397-R399 PolarHBondContact O-N 2.89Å
398	N	78.3	Confident	77.3	Confident	86 Å²	86	57.5 Å²	57.5	46%	0.46	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	24.9	-178.1	-53	-23.6	0	0	0	115.1	R396 D555 F556 G558	R396-N398 PolarHBondContact O-N 2.97Å; N398-D555 PolarHBondContact ND2-O 2.91Å; N398-D555 VanDerWaalsContact ND2-O 3.17Å; N398-D555 PolarHBondContact OD1-O 3.39Å; N398-F556 CarbonylContact C-O 3.53Å; N398-F556 VanDerWaalsContact C-O 3.26Å; N398-F556 WeakPolarHBondContact CA-O 3.43Å; N398-G558 PolarHBondContact O-N 2.91Å
399	R	75	Confident	76.2	Confident	163 Å²	163	55.9 Å²	55.9	62%	0.615	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	135.4	175.6	-174.7	177.5	168.9	-168.5	-8.2	110.6	V395 R396 H397 D402	V395-R399 WeakPolarHBondContact CA-O 3.27Å; R396-R399 PolarHBondContact N-O 3.48Å; R396-R399 PolarHBondContact O-N 2.86Å; H397-R399 PolarHBondContact O-N 2.89Å; R399-D402 IonicContact NH2-OD1 3.49Å; R399-D402 PolarHBondContact NH2-OD1 3.02Å
400	V	80.7	Confident	75.2	Confident	29 Å²	29	56.9 Å²	56.9	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.4	171.5	-173.7	0	0	0	0	109.6	I369 W393 V395	I369-V400 HydrophobicContact CB-CG2 4.48Å; I369-V400 HydrophobicContact CD1-CG2 3.32Å; I369-V400 HydrophobicContact CG1-CG2 4.44Å; I369-V400 HydrophobicContact CG2-CG2 3.96Å; W393-V400 HydrophobicContact CB-CG1 4.23Å; W393-V400 HydrophobicContact CG-CG1 4.28Å; V395-V400 HydrophobicContact CG2-CG2 4.26Å
401	L	68.3	Low	74.6	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.277	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-63	149.9	174.3	-67	-174.8	0	0	0	111	R394 R396 Y404	R394-L401 HydrophobicContact CB-CD1 3.74Å; R394-L401 HydrophobicContact CB-CG 4.21Å; R394-L401 PolarHBondContact O-N 3.04Å; R396-L401 HydrophobicContact CB-CD2 4.29Å; R396-L401 HydrophobicContact CG-CD2 4.34Å; L401-Y404 HydrophobicContact CB-CD2 3.82Å; L401-Y404 HydrophobicContact CB-CE2 4.01Å
402	D	58	Low	74.2	Confident	115 Å²	115	55.6 Å²	55.6	62%	0.615	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	154.2	176.7	-58.8	-35.3	0	0	0	110.2	R399 Y404	R399-D402 IonicContact NH2-OD1 3.49Å; R399-D402 PolarHBondContact NH2-OD1 3.02Å; D402-Y404 VanDerWaalsContact C-N 3.31Å; D402-Y404 WeakPolarHBondContact O-CD2 3.4Å; D402-Y404 PolarHBondContact O-N 3.27Å
403	N	58.4	Low	73.6	Confident	104 Å²	104	60.7 Å²	60.7	56%	0.556	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	9.2	-176.7	-49.8	-30.9	0	0	0	116.7	M406	N403-M406 WeakPolarHBondContact O-CG 3.38Å
404	Y	68.1	Low	73.2	Confident	46 Å²	46	60.9 Å²	60.9	18%	0.18	28%	0.284	C	S	.	.			trans	-100.2	151	170.5	-71.4	-88.5	0	0	0	111.8	F392 R394 L401 D402 M406	F392-Y404 HydrophobicContact CD2-CE1 4.02Å; F392-Y404 HydrophobicContact CE2-CD1 4.42Å; F392-Y404 AromaticContact CE2-CE1 3.5Å; F392-Y404 HydrophobicContact CE2-CE1 3.5Å; F392-Y404 AromaticContact CZ-CE1 3.8Å; F392-Y404 HydrophobicContact CZ-CE1 3.8Å; F392-Y404 WeakPolarHBondContact O-CD1 3.17Å; R394-Y404 HydrophobicContact CB-CE1 4.41Å; R394-Y404 HydrophobicContact CB-CE2 4.15Å; R394-Y404 WeakPolarHBondContact CD-OH 3.38Å; R394-Y404 HydrophobicContact CG-CE1 4.2Å; L401-Y404 HydrophobicContact CB-CD2 3.82Å; L401-Y404 HydrophobicContact CB-CE2 4.01Å; D402-Y404 VanDerWaalsContact C-N 3.31Å; D402-Y404 WeakPolarHBondContact O-CD2 3.4Å; D402-Y404 PolarHBondContact O-N 3.27Å; Y404-M406 HydrophobicContact CD1-CB 3.77Å; Y404-M406 HydrophobicContact CD1-CG 3.67Å; Y404-M406 HydrophobicContact CE1-CB 3.7Å; Y404-M406 HydrophobicContact CE1-CG 3.65Å; Y404-M406 HydrophobicContact CG-CG 4.27Å
405	P	75.4	Confident	73.3	Confident	12 Å²	12	58.4 Å²	58.4	8%	0.078	27%	0.274	C	S	.	.	S	Bend	cis	-72.7	150.2	9.7	26.5	-32.6	0	0	0	115	Y365 W391 F392 W393	Y365-P405 WeakPolarHBondContact CE1-O 3.37Å; Y365-P405 WeakPolarHBondContact O-CG 3.46Å; W391-P405 HydrophobicContact CB-CB 4.14Å; W391-P405 HydrophobicContact CD2-CB 4.33Å; W391-P405 HydrophobicContact CE3-CB 3.77Å; W391-P405 HydrophobicContact CE3-CG 4.09Å; W391-P405 HydrophobicContact CZ3-CB 4.38Å; W391-P405 HydrophobicContact CZ3-CG 4.29Å; F392-P405 WeakPolarHBondContact O-CA 3.07Å; W393-P405 HydrophobicContact CD2-CB 4.22Å; W393-P405 HydrophobicContact CZ2-CB 3.72Å; W393-P405 HydrophobicContact CZ2-CG 4.2Å
406	M	69.6	Low	73.4	Confident	40 Å²	40	58.7 Å²	58.7	20%	0.197	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.5	174.7	-74.3	-70.9	-91.1	0	0	111.9	W391 F392 N403 Y404 H410	W391-M406 CarbonylContact C-O 3.48Å; W391-M406 VanDerWaalsContact CA-O 3.32Å; W391-M406 WeakPolarHBondContact CA-O 3.24Å; F392-M406 HydrophobicContact CD1-CB 4.25Å; F392-M406 WeakPolarHBondContact CD1-O 3.23Å; F392-M406 HydrophobicContact CE1-CB 3.71Å; F392-M406 HydrophobicContact CZ-CB 4.06Å; F392-M406 PolarHBondContact N-O 2.9Å; F392-M406 PolarHBondContact O-N 2.94Å; N403-M406 WeakPolarHBondContact O-CG 3.38Å; Y404-M406 HydrophobicContact CD1-CB 3.77Å; Y404-M406 HydrophobicContact CD1-CG 3.67Å; Y404-M406 HydrophobicContact CE1-CB 3.7Å; Y404-M406 HydrophobicContact CE1-CG 3.65Å; Y404-M406 HydrophobicContact CG-CG 4.27Å; M406-H410 WeakPolarHBondContact CE-CE1 3.4Å; M406-H410 WeakPolarHBondContact CE-ND1 3.23Å
407	P	71	Confident	73.4	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.032	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	138.4	-179.8	-14.6	33.7	0	0	0	110.6	N274 R390 W391 F392 G409 H410	N274-P407 VanDerWaalsContact CG-CG 3.42Å; N274-P407 VanDerWaalsContact ND2-CG 3.32Å; N274-P407 WeakPolarHBondContact ND2-CG 3.38Å; N274-P407 VanDerWaalsContact OD1-CB 3.23Å; N274-P407 WeakPolarHBondContact OD1-CB 3.17Å; N274-P407 WeakPolarHBondContact OD1-CG 3.42Å; R390-P407 CarbonylContact O-C 3.57Å; R390-P407 VanDerWaalsContact O-CA 3.25Å; R390-P407 WeakPolarHBondContact O-CA 3.21Å; W391-P407 HydrophobicContact CZ3-CG 4.48Å; F392-P407 WeakPolarHBondContact CE1-O 3.5Å; P407-G409 PolarHBondContact O-N 2.82Å; P407-H410 HydrophobicContact CB-CB 4.2Å; P407-H410 HydrophobicContact CG-CB 4.32Å; P407-H410 VanDerWaalsContact O-CB 3.32Å; P407-H410 WeakPolarHBondContact O-CB 3.36Å; P407-H410 PolarHBondContact O-N 3.04Å; P407-H410 VanDerWaalsContact O-N 3.09Å
408	I	77.2	Confident	73.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-56.3	-51.3	-178.7	-66.5	174.9	0	0	0	111.2	F387 G389 R390 F392 H410 F411 W412 L415	F387-I408 HydrophobicContact CD1-CD1 3.82Å; F387-I408 HydrophobicContact CD1-CG1 4.05Å; F387-I408 HydrophobicContact CE1-CD1 4.49Å; F387-I408 HydrophobicContact CE1-CG1 4.4Å; G389-I408 VanDerWaalsContact O-CD1 3.25Å; G389-I408 WeakPolarHBondContact O-CD1 3.37Å; R390-I408 PolarHBondContact O-N 2.82Å; F392-I408 HydrophobicContact CB-CG1 4.36Å; F392-I408 HydrophobicContact CD1-CG1 4.15Å; I408-H410 PolarHBondContact O-N 3.34Å; I408-H410 VanDerWaalsContact O-N 3.09Å; I408-F411 PolarHBondContact O-N 2.99Å; I408-W412 HydrophobicContact CG2-CE3 4.08Å; I408-W412 PolarHBondContact O-N 3.43Å; I408-L415 HydrophobicContact CG2-CB 4.18Å; I408-L415 HydrophobicContact CG2-CD2 3.58Å; I408-L415 HydrophobicContact CG2-CG 4.06Å
409	G	67.5	Low	74.6	Confident	14 Å²	14	45.3 Å²	45.3	14%	0.144	22%	0.224	C	C	.	.	H	α-helix	trans	-64.7	-14.5	-178.4	0	0	0	0	0	114.8	P407	P407-G409 PolarHBondContact O-N 2.82Å
410	H	68.3	Low	75.5	Confident	49 Å²	49	38.6 Å²	38.6	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-72.2	-37.2	172.9	-176.5	-152	0	0	0	111.5	M406 P407 I408	M406-H410 WeakPolarHBondContact CE-CE1 3.4Å; M406-H410 WeakPolarHBondContact CE-ND1 3.23Å; P407-H410 HydrophobicContact CB-CB 4.2Å; P407-H410 HydrophobicContact CG-CB 4.32Å; P407-H410 VanDerWaalsContact O-CB 3.32Å; P407-H410 WeakPolarHBondContact O-CB 3.36Å; P407-H410 PolarHBondContact O-N 3.04Å; P407-H410 VanDerWaalsContact O-N 3.09Å; I408-H410 PolarHBondContact O-N 3.34Å; I408-H410 VanDerWaalsContact O-N 3.09Å
411	F	68	Low	76.2	Confident	78 Å²	78	37.2 Å²	37.2	34%	0.342	19%	0.194	S	C	.	.	H	α-helix	trans	-95.2	-42.7	179.9	-163.4	-87	0	0	0	112.4	F392 I408 A444	F392-F411 HydrophobicContact CE1-CB 3.85Å; F392-F411 HydrophobicContact CZ-CB 3.61Å; F392-F411 HydrophobicContact CZ-CD2 4.33Å; F392-F411 AromaticContact CZ-CG 3.97Å; F392-F411 HydrophobicContact CZ-CG 3.97Å; I408-F411 PolarHBondContact O-N 2.99Å; F411-A444 HydrophobicContact CD1-CB 4.21Å; F411-A444 HydrophobicContact CE1-CB 3.88Å; F411-A444 HydrophobicContact CZ-CB 4.32Å
412	W	77.8	Confident	77.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-112.8	86.6	178	-63.6	-75.6	0	0	0	110.6	L380 F385 F387 F392 I408 G414 L415 F432 F441 E443	L380-W412 HydrophobicContact CD1-CZ2 4.48Å; F385-W412 AromaticContact CD1-CH2 3.54Å; F385-W412 HydrophobicContact CD1-CH2 3.54Å; F385-W412 HydrophobicContact CD1-CZ2 4.17Å; F385-W412 AromaticContact CE1-CH2 3.58Å; F385-W412 HydrophobicContact CE1-CH2 3.58Å; F385-W412 AromaticContact CE1-CZ2 3.91Å; F385-W412 HydrophobicContact CE1-CZ2 3.91Å; F387-W412 HydrophobicContact CE1-CE3 4.24Å; F387-W412 AromaticContact CE1-CH2 3.89Å; F387-W412 HydrophobicContact CE1-CH2 3.89Å; F387-W412 AromaticContact CE1-CZ3 3.54Å; F387-W412 HydrophobicContact CE1-CZ3 3.54Å; F387-W412 AromaticContact CZ-CH2 3.7Å; F387-W412 HydrophobicContact CZ-CH2 3.7Å; F387-W412 HydrophobicContact CZ-CZ2 4.46Å; F387-W412 AromaticContact CZ-CZ3 3.87Å; F387-W412 HydrophobicContact CZ-CZ3 3.87Å; F392-W412 AromaticContact CD1-CZ3 3.82Å; F392-W412 HydrophobicContact CD1-CZ3 3.82Å; F392-W412 AromaticContact CD2-CH2 3.94Å; F392-W412 HydrophobicContact CD2-CH2 3.94Å; F392-W412 AromaticContact CD2-CZ3 3.75Å; F392-W412 HydrophobicContact CD2-CZ3 3.75Å; F392-W412 HydrophobicContact CE1-CE3 4.37Å; F392-W412 AromaticContact CE1-CZ3 3.79Å; F392-W412 HydrophobicContact CE1-CZ3 3.79Å; F392-W412 AromaticContact CE2-CH2 3.79Å; F392-W412 HydrophobicContact CE2-CH2 3.79Å; F392-W412 AromaticContact CE2-CZ3 3.69Å; F392-W412 HydrophobicContact CE2-CZ3 3.69Å; F392-W412 HydrophobicContact CG-CH2 4.42Å; F392-W412 AromaticContact CG-CZ3 3.81Å; F392-W412 HydrophobicContact CG-CZ3 3.81Å; F392-W412 HydrophobicContact CZ-CH2 4.19Å; F392-W412 AromaticContact CZ-CZ3 3.72Å; F392-W412 HydrophobicContact CZ-CZ3 3.72Å; I408-W412 HydrophobicContact CG2-CE3 4.08Å; I408-W412 PolarHBondContact O-N 3.43Å; W412-G414 PolarHBondContact O-N 3.11Å; W412-L415 HydrophobicContact CB-CB 3.75Å; W412-L415 HydrophobicContact CB-CD2 3.85Å; W412-L415 HydrophobicContact CB-CG 4.45Å; W412-L415 HydrophobicContact CD2-CD2 4.36Å; W412-L415 HydrophobicContact CE3-CD2 4.46Å; W412-L415 HydrophobicContact CG-CD2 4.15Å; W412-L415 WeakPolarHBondContact O-CB 3.45Å; W412-L415 PolarHBondContact O-N 3.07Å; W412-F432 HydrophobicContact CD2-CZ 4.15Å; W412-F432 AromaticContact CE2-CZ 3.7Å; W412-F432 HydrophobicContact CG-CZ 4.44Å; W412-F432 HydrophobicContact CZ2-CZ 4.03Å; W412-F432 AromaticContact NE1-CE2 3.98Å; W412-F432 AromaticContact NE1-CZ 3.77Å; W412-F441 HydrophobicContact CB-CD1 4.4Å; W412-F441 HydrophobicContact CB-CE1 3.76Å; W412-F441 HydrophobicContact CB-CZ 3.82Å; W412-F441 AromaticContact CD1-CD1 3.54Å; W412-F441 AromaticContact CD1-CE1 3.79Å; W412-F441 AromaticContact CD1-CG 3.94Å; W412-F441 HydrophobicContact CG-CD1 4.35Å; W412-F441 HydrophobicContact CG-CE1 4.18Å; W412-F441 HydrophobicContact CG-CZ 4.47Å; W412-E443 PolarHBondContact NE1-O 3.32Å; W412-E443 VanDerWaalsContact NE1-O 3.13Å
413	R	76.3	Confident	79.2	Confident	109 Å²	109	29.7 Å²	29.7	41%	0.411	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	136.9	173.4	-63.6	-174.5	-177.4	170.6	-0	109.6	L248 W283 L415 F441	L248-R413 HydrophobicContact CD1-CB 4.42Å; L248-R413 WeakPolarHBondContact CD1-O 3.48Å; W283-R413 HydrophobicContact CB-CB 4.32Å; W283-R413 HydrophobicContact CB-CG 4.04Å; W283-R413 HydrophobicContact CG-CB 4.43Å; R413-L415 VanDerWaalsContact C-N 3.3Å; R413-F441 WeakPolarHBondContact O-CE1 3.22Å; R413-F441 WeakPolarHBondContact O-CZ 3.44Å
414	G	79.3	Confident	80.7	Confident	8 Å²	8	27.2 Å²	27.2	8%	0.082	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-15.2	-176.4	0	0	0	0	0	115.2	W283 W412 W439	W283-G414 VanDerWaalsContact CH2-C 3.44Å; W412-G414 PolarHBondContact O-N 3.11Å; G414-W439 PolarHBondContact O-NE1 2.65Å
415	L	84.3	Confident	81.7	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.			trans	-83	134.1	178.2	-166.7	68.5	0	0	0	110	W283 I408 W412 R413 I419 F432 W439 F441	W283-L415 WeakPolarHBondContact CZ3-O 3.42Å; I408-L415 HydrophobicContact CG2-CB 4.18Å; I408-L415 HydrophobicContact CG2-CD2 3.58Å; I408-L415 HydrophobicContact CG2-CG 4.06Å; W412-L415 HydrophobicContact CB-CB 3.75Å; W412-L415 HydrophobicContact CB-CD2 3.85Å; W412-L415 HydrophobicContact CB-CG 4.45Å; W412-L415 HydrophobicContact CD2-CD2 4.36Å; W412-L415 HydrophobicContact CE3-CD2 4.46Å; W412-L415 HydrophobicContact CG-CD2 4.15Å; W412-L415 WeakPolarHBondContact O-CB 3.45Å; W412-L415 PolarHBondContact O-N 3.07Å; R413-L415 VanDerWaalsContact C-N 3.3Å; L415-I419 HydrophobicContact CD1-CG2 4.11Å; L415-I419 HydrophobicContact CD2-CG2 4.12Å; L415-I419 HydrophobicContact CG-CG2 4.05Å; L415-F432 HydrophobicContact CD1-CB 3.47Å; L415-F432 VanDerWaalsContact CD1-CB 3.47Å; L415-F432 HydrophobicContact CD1-CD1 4.38Å; L415-F432 HydrophobicContact CD1-CD2 4.04Å; L415-F432 HydrophobicContact CD1-CG 3.73Å; L415-F432 HydrophobicContact CD2-CB 4.41Å; L415-F432 HydrophobicContact CD2-CD1 3.8Å; L415-F432 HydrophobicContact CD2-CD2 4.14Å; L415-F432 HydrophobicContact CD2-CE1 4.02Å; L415-F432 HydrophobicContact CD2-CE2 4.32Å; L415-F432 HydrophobicContact CD2-CG 3.86Å; L415-F432 HydrophobicContact CD2-CZ 4.27Å; L415-W439 HydrophobicContact CD1-CB 3.91Å; L415-W439 HydrophobicContact CD1-CD2 4.01Å; L415-W439 HydrophobicContact CD1-CE3 4.4Å; L415-W439 HydrophobicContact CD1-CG 3.79Å; L415-F441 HydrophobicContact CB-CE2 4.03Å; L415-F441 HydrophobicContact CB-CZ 3.88Å; L415-F441 HydrophobicContact CD1-CE2 3.85Å; L415-F441 HydrophobicContact CG-CE2 4.39Å
416	P	86.8	Confident	82.3	Confident	12 Å²	12	30.4 Å²	30.4	8%	0.078	15%	0.154	C	C	.	.			trans	-59.8	160	178.8	24.8	-34.9	0	0	0	111.5	D418 I419 K434 W439	P416-D418 PolarHBondContact O-N 3.36Å; P416-I419 HydrophobicContact CG-CG2 4.41Å; P416-K434 HydrophobicContact CG-CB 4.01Å; P416-K434 HydrophobicContact CG-CG 4.01Å; P416-W439 VanDerWaalsContact CD-CE2 3.46Å; P416-W439 VanDerWaalsContact CD-CZ2 3.48Å; P416-W439 HydrophobicContact CG-CH2 3.84Å; P416-W439 HydrophobicContact CG-CZ2 3.8Å; P416-W439 HydrophobicContact CG-CZ3 4.27Å
417	S	77.3	Confident	83	Confident	55 Å²	55	32.1 Å²	32.1	39%	0.385	16%	0.164	S	C	.	.	S	Bend	trans	-68.8	-1.5	-177.7	61.7	0	0	0	0	114.4	G389 R390	G389-S417 CarbonylContact C-O 3.51Å; R390-S417 WeakPolarHBondContact CA-O 3.46Å; R390-S417 PolarHBondContact N-O 2.82Å
418	D	86.8	Confident	83.4	Confident	54 Å²	54	33.4 Å²	33.4	29%	0.289	18%	0.177	S	C	.	.			trans	-156.3	143.8	173.7	63.3	-34.1	0	0	0	108.9	P416 K434	P416-D418 PolarHBondContact O-N 3.36Å; D418-K434 VanDerWaalsContact CG-CE 3.48Å; D418-K434 VanDerWaalsContact O-CD 3.24Å; D418-K434 WeakPolarHBondContact O-CD 3.38Å; D418-K434 VanDerWaalsContact O-CE 3.29Å; D418-K434 WeakPolarHBondContact O-CE 3.33Å; D418-K434 WeakPolarHBondContact O-CG 3.4Å; D418-K434 WeakPolarHBondContact OD1-CE 3.11Å; D418-K434 IonicContact OD1-NZ 3.21Å; D418-K434 PolarHBondContact OD1-NZ 3.06Å; D418-K434 WeakPolarHBondContact OD2-CE 3.37Å; D418-K434 IonicContact OD2-NZ 3.48Å; D418-K434 PolarHBondContact OD2-NZ 3.18Å
419	I	93.3	Very high	83.8	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.015	19%	0.192	C	C	.	.			trans	-131	150.4	-173.6	56.3	164.5	0	0	0	109.9	T376 F387 L415 P416 A422 F432	T376-I419 HydrophobicContact CG2-CD1 3.67Å; T376-I419 HydrophobicContact CG2-CG1 3.77Å; F387-I419 HydrophobicContact CB-CD1 4.22Å; F387-I419 HydrophobicContact CB-CG1 4.16Å; F387-I419 HydrophobicContact CD1-CD1 3.61Å; F387-I419 HydrophobicContact CD1-CG1 4.11Å; F387-I419 HydrophobicContact CD2-CD1 3.86Å; F387-I419 HydrophobicContact CE1-CD1 3.81Å; F387-I419 HydrophobicContact CE2-CD1 4.04Å; F387-I419 HydrophobicContact CG-CD1 3.63Å; F387-I419 HydrophobicContact CG-CG1 4.09Å; F387-I419 HydrophobicContact CZ-CD1 4.03Å; L415-I419 HydrophobicContact CD1-CG2 4.11Å; L415-I419 HydrophobicContact CD2-CG2 4.12Å; L415-I419 HydrophobicContact CG-CG2 4.05Å; P416-I419 HydrophobicContact CG-CG2 4.41Å; I419-A422 HydrophobicContact CD1-CB 4.12Å; I419-F432 HydrophobicContact CD1-CD1 3.59Å; I419-F432 HydrophobicContact CD1-CE1 4.05Å
420	S	93.5	Very high	85	Confident	23 Å²	23	36.8 Å²	36.8	16%	0.161	19%	0.186	C	C	.	.	S	Bend	trans	-95.6	-33.3	-179.1	61.8	0	0	0	0	113.2	F433 I466 D467	S420-F433 PolarHBondContact N-O 2.78Å; S420-F433 PolarHBondContact OG-O 3.03Å; S420-F433 VanDerWaalsContact OG-O 3.14Å; S420-I466 WeakPolarHBondContact CB-O 3.38Å; S420-I466 PolarHBondContact OG-O 2.84Å; S420-D467 VanDerWaalsContact O-O 3.08Å
421	A	95.1	Very high	86.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.4	178	0	0	0	0	0	110.6	F433 I466 A469	A421-F433 HydrophobicContact CB-CB 4.32Å; A421-F433 HydrophobicContact CB-CD2 4Å; A421-F433 PolarHBondContact N-O 3.03Å; A421-F433 PolarHBondContact O-N 2.73Å; A421-I466 HydrophobicContact CB-CG2 4Å; A421-A469 HydrophobicContact CB-CB 4.28Å
422	A	95.3	Very high	87.5	Confident	2 Å²	2	30.8 Å²	30.8	2%	0.017	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146	173	0	0	0	0	0	110.1	A378 I419 V431 F432	A378-A422 HydrophobicContact CB-CB 3.97Å; A378-A422 VanDerWaalsContact CB-O 3.23Å; A378-A422 WeakPolarHBondContact CB-O 3.13Å; I419-A422 HydrophobicContact CD1-CB 4.12Å; A422-V431 VanDerWaalsContact CA-O 3.28Å; A422-V431 WeakPolarHBondContact CA-O 3.4Å; A422-F432 HydrophobicContact CB-CD1 3.57Å; A422-F432 HydrophobicContact CB-CE1 3.78Å; A422-F432 HydrophobicContact CB-CG 4.49Å
423	Y	94.4	Very high	88.3	Confident	7 Å²	7	30.8 Å²	30.8	3%	0.027	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	165.1	170.6	77.9	-70.4	0	0	0	111.3	R425 V431 F433 Y457 A469 W471 T478 F480 E491	Y423-R425 HydrophobicContact CE2-CG 3.88Å; Y423-V431 HydrophobicContact CD1-CB 3.97Å; Y423-V431 HydrophobicContact CE1-CB 3.55Å; Y423-V431 HydrophobicContact CE1-CG1 3.95Å; Y423-V431 HydrophobicContact CE1-CG2 3.95Å; Y423-V431 PolarHBondContact N-O 2.93Å; Y423-V431 VanDerWaalsContact N-O 3.09Å; Y423-V431 PolarHBondContact O-N 3.04Å; Y423-F433 AromaticContact CD1-CE2 3.83Å; Y423-F433 HydrophobicContact CD1-CE2 3.83Å; Y423-F433 AromaticContact CE1-CE2 3.52Å; Y423-F433 HydrophobicContact CE1-CE2 3.52Å; Y423-F433 AromaticContact CE1-CZ 3.86Å; Y423-F433 HydrophobicContact CE1-CZ 3.86Å; Y423-Y457 PolarHBondContact OH-OH 3.09Å; Y423-A469 HydrophobicContact CD1-CB 3.49Å; Y423-A469 VanDerWaalsContact CD1-CB 3.49Å; Y423-A469 HydrophobicContact CE1-CB 4.01Å; Y423-A469 HydrophobicContact CG-CB 4.08Å; Y423-W471 HydrophobicContact CD2-CB 3.85Å; Y423-W471 HydrophobicContact CE2-CB 4.07Å; Y423-T478 HydrophobicContact CD2-CG2 4.35Å; Y423-T478 HydrophobicContact CE1-CG2 4.3Å; Y423-T478 HydrophobicContact CE2-CG2 3.62Å; Y423-F480 HydrophobicContact CE1-CE1 4.15Å; Y423-E491 PolarHBondContact OH-OE1 2.68Å
424	E	89.8	Confident	89.2	Confident	53 Å²	53	28.8 Å²	28.8	25%	0.248	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.3	173.6	-178.2	173.1	-171.5	0	0	110.2	L380 R381 F430 W471	L380-E424 HydrophobicContact CD2-CB 4.02Å; R381-E424 PolarHBondContact N-OE2 2.85Å; E424-F430 HydrophobicContact CB-CD1 4.22Å; E424-F430 HydrophobicContact CG-CD1 4.1Å; E424-F430 HydrophobicContact CG-CE1 4.15Å; E424-W471 WeakPolarHBondContact O-CB 3.23Å
425	R	90	Very high	89.7	Confident	24 Å²	24	29.8 Å²	29.8	9%	0.091	16%	0.164	C	C	.	.			trans	-79.9	165	174.1	-77.8	176.9	171.4	-171.3	0.5	111.2	Y423 D427 G428 R429 V431 Y457 E491	Y423-R425 HydrophobicContact CE2-CG 3.88Å; R425-D427 WeakPolarHBondContact CB-OD1 3.32Å; R425-D427 PolarHBondContact O-N 3.13Å; R425-D427 VanDerWaalsContact O-N 3.08Å; R425-G428 PolarHBondContact O-N 2.94Å; R425-R429 PolarHBondContact N-O 2.86Å; R425-V431 HydrophobicContact CG-CG2 3.67Å; R425-Y457 PolarHBondContact NE-OH 3.1Å; R425-Y457 PolarHBondContact NH2-OH 3Å; R425-E491 IonicContact CZ-OE2 2.82Å; R425-E491 IonicContact NE-OE2 2.63Å; R425-E491 PolarHBondContact NE-OE2 2.91Å; R425-E491 IonicContact NH2-OE2 2.82Å
426	Q	86	Confident	90.1	Very high	100 Å²	100	33.9 Å²	33.9	47%	0.467	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-22.8	175.2	67	177.5	-6	0	0	114.9	G428 W471	Q426-G428 VanDerWaalsContact C-N 3.29Å; Q426-W471 HydrophobicContact CB-CH2 4.31Å; Q426-W471 HydrophobicContact CB-CZ2 3.71Å
427	D	84.6	Confident	90.4	Very high	77 Å²	77	38.5 Å²	38.5	41%	0.412	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	4.5	177.4	63.6	-2.2	0	0	0	113.2	R425 R429	R425-D427 WeakPolarHBondContact CB-OD1 3.32Å; R425-D427 PolarHBondContact O-N 3.13Å; R425-D427 VanDerWaalsContact O-N 3.08Å; D427-R429 VanDerWaalsContact C-N 3.29Å; D427-R429 PolarHBondContact O-N 2.84Å; D427-R429 WeakPolarHBondContact OD1-CB 3.44Å; D427-R429 PolarHBondContact OD1-N 2.9Å; D427-R429 VanDerWaalsContact OD1-N 3.11Å; D427-R429 IonicContact OD1-NE 3.88Å; D427-R429 IonicContact OD2-CZ 2.81Å; D427-R429 IonicContact OD2-NE 3.93Å; D427-R429 PolarHBondContact OD2-NE 3.48Å; D427-R429 IonicContact OD2-NH2 3.51Å; D427-R429 PolarHBondContact OD2-NH2 3.42Å
428	G	80.3	Confident	91.3	Very high	31 Å²	31	36.3 Å²	36.3	32%	0.32	19%	0.185	S	C	.	.	S	Bend	trans	77.5	7.8	-179	0	0	0	0	0	114.4	R425 Q426	R425-G428 PolarHBondContact O-N 2.94Å; Q426-G428 VanDerWaalsContact C-N 3.29Å
429	R	86.1	Confident	91.7	Very high	80 Å²	80	34.6 Å²	34.6	30%	0.302	18%	0.175	S	C	.	.			trans	-84.8	144.7	173.8	-69.4	-172.7	-78.8	-165.7	-7	111.2	R425 D427 L440 F441 E447	R425-R429 PolarHBondContact N-O 2.86Å; D427-R429 VanDerWaalsContact C-N 3.29Å; D427-R429 PolarHBondContact O-N 2.84Å; D427-R429 WeakPolarHBondContact OD1-CB 3.44Å; D427-R429 PolarHBondContact OD1-N 2.9Å; D427-R429 VanDerWaalsContact OD1-N 3.11Å; D427-R429 IonicContact OD1-NE 3.88Å; D427-R429 IonicContact OD2-CZ 2.81Å; D427-R429 IonicContact OD2-NE 3.93Å; D427-R429 PolarHBondContact OD2-NE 3.48Å; D427-R429 IonicContact OD2-NH2 3.51Å; D427-R429 PolarHBondContact OD2-NH2 3.42Å; R429-L440 HydrophobicContact CB-CD1 3.75Å; R429-L440 HydrophobicContact CB-CG 4.31Å; R429-F441 WeakPolarHBondContact CA-O 3.37Å; R429-E447 IonicContact NH1-OE2 2.97Å
430	F	91.3	Very high	91.6	Very high	7 Å²	7	34.6 Å²	34.6	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.1	178.2	-50.8	-25.4	0	0	0	109.6	L380 R381 E424 F432 L440 F441 E443	L380-F430 HydrophobicContact CB-CD1 4.33Å; L380-F430 HydrophobicContact CB-CE1 4.02Å; L380-F430 HydrophobicContact CB-CE2 4.48Å; L380-F430 HydrophobicContact CB-CZ 4.09Å; L380-F430 HydrophobicContact CD1-CD2 4.28Å; L380-F430 HydrophobicContact CD1-CG 4.34Å; L380-F430 HydrophobicContact CD2-CB 4.48Å; L380-F430 HydrophobicContact CD2-CD1 3.96Å; L380-F430 HydrophobicContact CD2-CE1 4.46Å; L380-F430 HydrophobicContact CD2-CG 4.21Å; R381-F430 HydrophobicContact CG-CE1 3.84Å; R381-F430 HydrophobicContact CG-CZ 3.63Å; E424-F430 HydrophobicContact CB-CD1 4.22Å; E424-F430 HydrophobicContact CG-CD1 4.1Å; E424-F430 HydrophobicContact CG-CE1 4.15Å; F430-F432 HydrophobicContact CB-CD2 4.41Å; F430-F432 HydrophobicContact CB-CE2 3.71Å; F430-F432 HydrophobicContact CB-CZ 4.17Å; F430-L440 WeakPolarHBondContact O-CA 3.42Å; F430-F441 HydrophobicContact CB-CB 4.28Å; F430-F441 PolarHBondContact N-O 3.45Å; F430-F441 PolarHBondContact O-N 3.17Å; F430-E443 VanDerWaalsContact CD2-O 3.22Å; F430-E443 WeakPolarHBondContact CD2-O 3.14Å; F430-E443 VanDerWaalsContact CE2-O 3.3Å; F430-E443 WeakPolarHBondContact CE2-O 3.32Å
431	V	94.6	Very high	91.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.3	175.2	-174	0	0	0	0	108.1	A422 Y423 R425 F433 Y438 W439 L440 Y457	A422-V431 VanDerWaalsContact CA-O 3.28Å; A422-V431 WeakPolarHBondContact CA-O 3.4Å; Y423-V431 HydrophobicContact CD1-CB 3.97Å; Y423-V431 HydrophobicContact CE1-CB 3.55Å; Y423-V431 HydrophobicContact CE1-CG1 3.95Å; Y423-V431 HydrophobicContact CE1-CG2 3.95Å; Y423-V431 PolarHBondContact N-O 2.93Å; Y423-V431 VanDerWaalsContact N-O 3.09Å; Y423-V431 PolarHBondContact O-N 3.04Å; R425-V431 HydrophobicContact CG-CG2 3.67Å; V431-F433 HydrophobicContact CB-CE2 4.4Å; V431-F433 HydrophobicContact CB-CZ 4.44Å; V431-F433 HydrophobicContact CG1-CD1 4.48Å; V431-F433 HydrophobicContact CG1-CD2 4.32Å; V431-F433 HydrophobicContact CG1-CE1 3.83Å; V431-F433 HydrophobicContact CG1-CE2 3.67Å; V431-F433 HydrophobicContact CG1-CZ 3.38Å; V431-Y438 HydrophobicContact CG1-CD2 4.23Å; V431-W439 WeakPolarHBondContact CA-O 3.43Å; V431-L440 HydrophobicContact CG2-CD1 3.73Å; V431-Y457 HydrophobicContact CG1-CE2 3.77Å; V431-Y457 HydrophobicContact CG2-CE2 4.42Å
432	F	95	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.8	173.5	-61.2	-87.7	0	0	0	109.7	L380 F387 W412 L415 I419 A422 F430 Y438 W439 F441	L380-F432 HydrophobicContact CD1-CE1 4.48Å; L380-F432 HydrophobicContact CD1-CZ 4.23Å; F387-F432 HydrophobicContact CE1-CE1 4.34Å; F387-F432 AromaticContact CZ-CE1 3.84Å; F387-F432 HydrophobicContact CZ-CE1 3.84Å; W412-F432 HydrophobicContact CD2-CZ 4.15Å; W412-F432 AromaticContact CE2-CZ 3.7Å; W412-F432 HydrophobicContact CG-CZ 4.44Å; W412-F432 HydrophobicContact CZ2-CZ 4.03Å; W412-F432 AromaticContact NE1-CE2 3.98Å; W412-F432 AromaticContact NE1-CZ 3.77Å; L415-F432 HydrophobicContact CD1-CB 3.47Å; L415-F432 VanDerWaalsContact CD1-CB 3.47Å; L415-F432 HydrophobicContact CD1-CD1 4.38Å; L415-F432 HydrophobicContact CD1-CD2 4.04Å; L415-F432 HydrophobicContact CD1-CG 3.73Å; L415-F432 HydrophobicContact CD2-CB 4.41Å; L415-F432 HydrophobicContact CD2-CD1 3.8Å; L415-F432 HydrophobicContact CD2-CD2 4.14Å; L415-F432 HydrophobicContact CD2-CE1 4.02Å; L415-F432 HydrophobicContact CD2-CE2 4.32Å; L415-F432 HydrophobicContact CD2-CG 3.86Å; L415-F432 HydrophobicContact CD2-CZ 4.27Å; I419-F432 HydrophobicContact CD1-CD1 3.59Å; I419-F432 HydrophobicContact CD1-CE1 4.05Å; A422-F432 HydrophobicContact CB-CD1 3.57Å; A422-F432 HydrophobicContact CB-CE1 3.78Å; A422-F432 HydrophobicContact CB-CG 4.49Å; F430-F432 HydrophobicContact CB-CD2 4.41Å; F430-F432 HydrophobicContact CB-CE2 3.71Å; F430-F432 HydrophobicContact CB-CZ 4.17Å; F432-Y438 CarbonylContact O-C 3.54Å; F432-Y438 WeakPolarHBondContact O-CA 3.38Å; F432-Y438 WeakPolarHBondContact O-CB 3.18Å; F432-W439 HydrophobicContact CB-CB 4.4Å; F432-W439 PolarHBondContact N-O 3.48Å; F432-W439 PolarHBondContact O-N 3.48Å; F432-F441 AromaticContact CD2-CD2 3.58Å; F432-F441 HydrophobicContact CD2-CD2 3.58Å; F432-F441 HydrophobicContact CD2-CE2 4.12Å; F432-F441 HydrophobicContact CD2-CG 4.34Å; F432-F441 HydrophobicContact CE2-CB 4.11Å; F432-F441 AromaticContact CE2-CD2 3.76Å; F432-F441 HydrophobicContact CE2-CD2 3.76Å; F432-F441 HydrophobicContact CE2-CE2 4.44Å; F432-F441 HydrophobicContact CE2-CG 4.09Å
433	F	95.3	Very high	89.4	Confident	1 Å²	1	45.8 Å²	45.8	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.1	177.2	-59.5	-78.8	0	0	0	110.8	S420 A421 Y423 V431 Y438 L454 Y457 I466 A469 F480	S420-F433 PolarHBondContact N-O 2.78Å; S420-F433 PolarHBondContact OG-O 3.03Å; S420-F433 VanDerWaalsContact OG-O 3.14Å; A421-F433 HydrophobicContact CB-CB 4.32Å; A421-F433 HydrophobicContact CB-CD2 4Å; A421-F433 PolarHBondContact N-O 3.03Å; A421-F433 PolarHBondContact O-N 2.73Å; Y423-F433 AromaticContact CD1-CE2 3.83Å; Y423-F433 HydrophobicContact CD1-CE2 3.83Å; Y423-F433 AromaticContact CE1-CE2 3.52Å; Y423-F433 HydrophobicContact CE1-CE2 3.52Å; Y423-F433 AromaticContact CE1-CZ 3.86Å; Y423-F433 HydrophobicContact CE1-CZ 3.86Å; V431-F433 HydrophobicContact CB-CE2 4.4Å; V431-F433 HydrophobicContact CB-CZ 4.44Å; V431-F433 HydrophobicContact CG1-CD1 4.48Å; V431-F433 HydrophobicContact CG1-CD2 4.32Å; V431-F433 HydrophobicContact CG1-CE1 3.83Å; V431-F433 HydrophobicContact CG1-CE2 3.67Å; V431-F433 HydrophobicContact CG1-CZ 3.38Å; F433-Y438 HydrophobicContact CE1-CG 4.45Å; F433-L454 HydrophobicContact CD1-CD1 3.85Å; F433-L454 HydrophobicContact CE1-CD1 3.68Å; F433-Y457 HydrophobicContact CE1-CD2 4.14Å; F433-Y457 HydrophobicContact CE1-CE2 4.19Å; F433-Y457 HydrophobicContact CZ-CD2 4.5Å; F433-Y457 HydrophobicContact CZ-CE2 4.11Å; F433-I466 HydrophobicContact CB-CB 4.4Å; F433-I466 HydrophobicContact CD1-CD1 3.74Å; F433-I466 HydrophobicContact CD2-CB 4.49Å; F433-I466 HydrophobicContact CD2-CD1 4.36Å; F433-I466 HydrophobicContact CD2-CG2 4.37Å; F433-I466 HydrophobicContact CE1-CD1 3.61Å; F433-I466 HydrophobicContact CE2-CD1 4.21Å; F433-I466 HydrophobicContact CG-CB 4.28Å; F433-I466 HydrophobicContact CG-CD1 4.11Å; F433-I466 HydrophobicContact CZ-CD1 3.84Å; F433-A469 HydrophobicContact CD2-CB 4.25Å; F433-A469 HydrophobicContact CE2-CB 3.81Å; F433-F480 AromaticContact CE2-CE1 3.9Å; F433-F480 HydrophobicContact CE2-CE1 3.9Å; F433-F480 AromaticContact CZ-CE1 3.7Å; F433-F480 HydrophobicContact CZ-CE1 3.7Å; F433-F480 HydrophobicContact CZ-CZ 4.18Å
434	K	93.6	Very high	88.2	Confident	66 Å²	66	47 Å²	47	29%	0.287	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	114.9	170.6	177	57.3	165	-178.7	0	109.3	P416 D418 D436 R437 W439	P416-K434 HydrophobicContact CG-CB 4.01Å; P416-K434 HydrophobicContact CG-CG 4.01Å; D418-K434 VanDerWaalsContact CG-CE 3.48Å; D418-K434 VanDerWaalsContact O-CD 3.24Å; D418-K434 WeakPolarHBondContact O-CD 3.38Å; D418-K434 VanDerWaalsContact O-CE 3.29Å; D418-K434 WeakPolarHBondContact O-CE 3.33Å; D418-K434 WeakPolarHBondContact O-CG 3.4Å; D418-K434 WeakPolarHBondContact OD1-CE 3.11Å; D418-K434 IonicContact OD1-NZ 3.21Å; D418-K434 PolarHBondContact OD1-NZ 3.06Å; D418-K434 WeakPolarHBondContact OD2-CE 3.37Å; D418-K434 IonicContact OD2-NZ 3.48Å; D418-K434 PolarHBondContact OD2-NZ 3.18Å; K434-D436 PolarHBondContact O-N 3.48Å; K434-R437 PolarHBondContact N-O 3.22Å; K434-R437 PolarHBondContact O-N 3.13Å; K434-W439 HydrophobicContact CB-CH2 4.01Å; K434-W439 HydrophobicContact CB-CZ3 3.64Å
435	G	91.3	Very high	87.3	Confident	30 Å²	30	49.8 Å²	49.8	31%	0.309	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-132.8	-175.9	0	0	0	0	0	110.9	R437 D464 R465	G435-R437 PolarHBondContact O-N 2.89Å; G435-D464 CarbonylContact C-O 3.59Å; G435-R465 WeakPolarHBondContact O-CA 3.4Å
436	D	92.3	Very high	86.9	Confident	86 Å²	86	50.1 Å²	50.1	46%	0.46	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	14.7	-177.9	69.2	-27.3	0	0	0	113.2	K434 P453 L454 D464	K434-D436 PolarHBondContact O-N 3.48Å; D436-P453 CarbonylContact O-C 3.47Å; D436-P453 WeakPolarHBondContact O-CA 3.16Å; D436-L454 WeakPolarHBondContact O-CB 3.47Å; D436-L454 PolarHBondContact O-N 3.39Å; D436-D464 WeakPolarHBondContact CA-O 3.46Å; D436-D464 PolarHBondContact N-O 2.9Å; D436-D464 VanDerWaalsContact N-O 3.11Å
437	R	93.6	Very high	86.9	Confident	109 Å²	109	47.7 Å²	47.7	41%	0.411	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	155.9	-176.1	-70.5	178	-173.9	-92.5	-0.8	112.4	K434 G435 W439 P451 Q452	K434-R437 PolarHBondContact N-O 3.22Å; K434-R437 PolarHBondContact O-N 3.13Å; G435-R437 PolarHBondContact O-N 2.89Å; R437-W439 HydrophobicContact CB-CH2 3.58Å; R437-W439 HydrophobicContact CB-CZ2 4.47Å; R437-W439 HydrophobicContact CB-CZ3 3.61Å; R437-W439 WeakPolarHBondContact O-CZ3 3.45Å; R437-P451 HydrophobicContact CB-CB 4.42Å; R437-Q452 WeakPolarHBondContact CA-O 3.49Å
438	Y	94.9	Very high	86.9	Confident	9 Å²	9	49.4 Å²	49.4	4%	0.035	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	153	171.7	78.5	-79.1	0	0	0	112	V431 F432 F433 Y450 P451 Q452 P453 Y457	V431-Y438 HydrophobicContact CG1-CD2 4.23Å; F432-Y438 CarbonylContact O-C 3.54Å; F432-Y438 WeakPolarHBondContact O-CA 3.38Å; F432-Y438 WeakPolarHBondContact O-CB 3.18Å; F433-Y438 HydrophobicContact CE1-CG 4.45Å; Y438-Y450 HydrophobicContact CD2-CD1 4.3Å; Y438-Y450 AromaticContact CD2-CE1 3.88Å; Y438-Y450 HydrophobicContact CD2-CE1 3.88Å; Y438-Y450 HydrophobicContact CE1-CE1 4.43Å; Y438-Y450 HydrophobicContact CE2-CD1 4.01Å; Y438-Y450 AromaticContact CE2-CE1 3.18Å; Y438-Y450 HydrophobicContact CE2-CE1 3.18Å; Y438-Y450 AromaticContact CE2-CZ 3.97Å; Y438-Y450 AromaticContact CZ-CE1 3.5Å; Y438-P451 WeakPolarHBondContact O-CA 3.45Å; Y438-Q452 HydrophobicContact CD1-CB 4.12Å; Y438-Q452 VanDerWaalsContact CD1-O 3.27Å; Y438-Q452 WeakPolarHBondContact CD1-O 3.3Å; Y438-Q452 HydrophobicContact CE1-CB 3.44Å; Y438-Q452 VanDerWaalsContact CE1-CB 3.44Å; Y438-Q452 PolarHBondContact N-O 3.16Å; Y438-Q452 PolarHBondContact O-N 3.47Å; Y438-Q452 VanDerWaalsContact O-N 3.09Å; Y438-P453 WeakPolarHBondContact CE1-O 3.23Å; Y438-Y457 AromaticContact CD1-CD2 3.91Å; Y438-Y457 HydrophobicContact CD1-CD2 3.91Å; Y438-Y457 HydrophobicContact CD1-CG 4.48Å; Y438-Y457 AromaticContact CD2-CD2 3.45Å; Y438-Y457 HydrophobicContact CD2-CD2 3.45Å; Y438-Y457 VanDerWaalsContact CD2-CD2 3.45Å; Y438-Y457 AromaticContact CD2-CE2 3.85Å; Y438-Y457 HydrophobicContact CD2-CE2 3.85Å; Y438-Y457 AromaticContact CE1-CD2 3.87Å; Y438-Y457 HydrophobicContact CE1-CD2 3.87Å; Y438-Y457 HydrophobicContact CE1-CG 4.34Å; Y438-Y457 AromaticContact CE2-CD2 3.36Å; Y438-Y457 HydrophobicContact CE2-CD2 3.36Å; Y438-Y457 AromaticContact CE2-CE2 3.86Å; Y438-Y457 HydrophobicContact CE2-CE2 3.86Å; Y438-Y457 HydrophobicContact CE2-CG 4.46Å; Y438-Y457 AromaticContact CG-CD2 3.7Å; Y438-Y457 HydrophobicContact CG-CD2 3.7Å; Y438-Y457 HydrophobicContact CG-CE2 4.41Å; Y438-Y457 AromaticContact CZ-CD2 3.61Å
439	W	94.5	Very high	87	Confident	19 Å²	19	50.4 Å²	50.4	7%	0.072	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136	177	-65.3	-113	0	0	0	108.4	G414 L415 P416 V431 F432 K434 R437 F441 L446 P451	G414-W439 PolarHBondContact O-NE1 2.65Å; L415-W439 HydrophobicContact CD1-CB 3.91Å; L415-W439 HydrophobicContact CD1-CD2 4.01Å; L415-W439 HydrophobicContact CD1-CE3 4.4Å; L415-W439 HydrophobicContact CD1-CG 3.79Å; P416-W439 VanDerWaalsContact CD-CE2 3.46Å; P416-W439 VanDerWaalsContact CD-CZ2 3.48Å; P416-W439 HydrophobicContact CG-CH2 3.84Å; P416-W439 HydrophobicContact CG-CZ2 3.8Å; P416-W439 HydrophobicContact CG-CZ3 4.27Å; V431-W439 WeakPolarHBondContact CA-O 3.43Å; F432-W439 HydrophobicContact CB-CB 4.4Å; F432-W439 PolarHBondContact N-O 3.48Å; F432-W439 PolarHBondContact O-N 3.48Å; K434-W439 HydrophobicContact CB-CH2 4.01Å; K434-W439 HydrophobicContact CB-CZ3 3.64Å; R437-W439 HydrophobicContact CB-CH2 3.58Å; R437-W439 HydrophobicContact CB-CZ2 4.47Å; R437-W439 HydrophobicContact CB-CZ3 3.61Å; R437-W439 WeakPolarHBondContact O-CZ3 3.45Å; W439-F441 HydrophobicContact CB-CD2 4.01Å; W439-F441 HydrophobicContact CB-CE2 3.67Å; W439-F441 HydrophobicContact CG-CE2 4.28Å; W439-L446 HydrophobicContact CB-CD1 3.95Å; W439-L446 HydrophobicContact CG-CD1 4.26Å; W439-P451 HydrophobicContact CD2-CB 3.85Å; W439-P451 VanDerWaalsContact CE2-CB 3.44Å; W439-P451 HydrophobicContact CE3-CB 4.48Å; W439-P451 HydrophobicContact CG-CB 4.18Å; W439-P451 HydrophobicContact CH2-CB 4.27Å; W439-P451 HydrophobicContact CZ2-CB 3.68Å; W439-P451 HydrophobicContact CZ2-CG 3.91Å
440	L	92.9	Very high	87.1	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	122.2	174.4	-171.1	68.5	0	0	0	108.7	R429 F430 V431 E447 Y450	R429-L440 HydrophobicContact CB-CD1 3.75Å; R429-L440 HydrophobicContact CB-CG 4.31Å; F430-L440 WeakPolarHBondContact O-CA 3.42Å; V431-L440 HydrophobicContact CG2-CD1 3.73Å; L440-E447 HydrophobicContact CB-CB 4.39Å; L440-E447 HydrophobicContact CB-CG 4.42Å; L440-E447 HydrophobicContact CD2-CG 4.19Å; L440-E447 HydrophobicContact CG-CG 4.12Å; L440-E447 WeakPolarHBondContact O-CB 3.37Å; L440-E447 PolarHBondContact O-N 3.38Å; L440-Y450 HydrophobicContact CB-CD1 4.05Å; L440-Y450 HydrophobicContact CB-CD2 3.87Å; L440-Y450 HydrophobicContact CB-CE1 3.77Å; L440-Y450 HydrophobicContact CB-CE2 3.52Å; L440-Y450 HydrophobicContact CB-CG 4.1Å; L440-Y450 VanDerWaalsContact CB-CZ 3.45Å; L440-Y450 HydrophobicContact CD2-CE2 3.84Å; L440-Y450 WeakPolarHBondContact CD2-OH 3.3Å; L440-Y450 HydrophobicContact CG-CE2 4.31Å
441	F	85.6	Confident	87.1	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.6	179.1	-81.2	-99.5	0	0	0	110.7	W412 R413 L415 R429 F430 F432 W439 A444 N445 L446	W412-F441 HydrophobicContact CB-CD1 4.4Å; W412-F441 HydrophobicContact CB-CE1 3.76Å; W412-F441 HydrophobicContact CB-CZ 3.82Å; W412-F441 AromaticContact CD1-CD1 3.54Å; W412-F441 AromaticContact CD1-CE1 3.79Å; W412-F441 AromaticContact CD1-CG 3.94Å; W412-F441 HydrophobicContact CG-CD1 4.35Å; W412-F441 HydrophobicContact CG-CE1 4.18Å; W412-F441 HydrophobicContact CG-CZ 4.47Å; R413-F441 WeakPolarHBondContact O-CE1 3.22Å; R413-F441 WeakPolarHBondContact O-CZ 3.44Å; L415-F441 HydrophobicContact CB-CE2 4.03Å; L415-F441 HydrophobicContact CB-CZ 3.88Å; L415-F441 HydrophobicContact CD1-CE2 3.85Å; L415-F441 HydrophobicContact CG-CE2 4.39Å; R429-F441 WeakPolarHBondContact CA-O 3.37Å; F430-F441 HydrophobicContact CB-CB 4.28Å; F430-F441 PolarHBondContact N-O 3.45Å; F430-F441 PolarHBondContact O-N 3.17Å; F432-F441 AromaticContact CD2-CD2 3.58Å; F432-F441 HydrophobicContact CD2-CD2 3.58Å; F432-F441 HydrophobicContact CD2-CE2 4.12Å; F432-F441 HydrophobicContact CD2-CG 4.34Å; F432-F441 HydrophobicContact CE2-CB 4.11Å; F432-F441 AromaticContact CE2-CD2 3.76Å; F432-F441 HydrophobicContact CE2-CD2 3.76Å; F432-F441 HydrophobicContact CE2-CE2 4.44Å; F432-F441 HydrophobicContact CE2-CG 4.09Å; W439-F441 HydrophobicContact CB-CD2 4.01Å; W439-F441 HydrophobicContact CB-CE2 3.67Å; W439-F441 HydrophobicContact CG-CE2 4.28Å; F441-A444 WeakPolarHBondContact CD1-O 3.03Å; F441-N445 CarbonylContact C-O 3.54Å; F441-N445 VanDerWaalsContact CA-O 3.28Å; F441-N445 WeakPolarHBondContact CA-O 3.34Å; F441-N445 WeakPolarHBondContact CD1-O 3.17Å; F441-L446 HydrophobicContact CD1-CB 4.18Å; F441-L446 VanDerWaalsContact CD1-N 3.34Å; F441-L446 HydrophobicContact CD2-CD1 3.81Å; F441-L446 HydrophobicContact CE1-CB 3.67Å; F441-L446 HydrophobicContact CE1-CD1 4.18Å; F441-L446 HydrophobicContact CE2-CB 4.44Å; F441-L446 HydrophobicContact CE2-CD1 3.39Å; F441-L446 HydrophobicContact CE2-CG 4.49Å; F441-L446 HydrophobicContact CG-CD1 4.4Å; F441-L446 HydrophobicContact CZ-CB 3.82Å; F441-L446 HydrophobicContact CZ-CD1 3.58Å; F441-L446 HydrophobicContact CZ-CG 4.24Å
442	R	78.3	Confident	87	Confident	167 Å²	167	53.4 Å²	53.4	63%	0.63	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	99.7	162	-173.3	177.3	179.8	-177.2	-0.7	107.4	A444 N445	R442-A444 PolarHBondContact O-N 3.2Å; R442-N445 PolarHBondContact N-O 3.16Å; R442-N445 PolarHBondContact O-N 3.06Å
443	E	72.6	Confident	86.9	Confident	93 Å²	93	55.6 Å²	55.6	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.2	-101.2	-171.7	-51.2	-178.6	149.5	0	0	112.5	R381 W412 F430	R381-E443 IonicContact CZ-OE1 3.54Å; R381-E443 IonicContact NH1-OE1 2.8Å; R381-E443 PolarHBondContact NH1-OE1 2.95Å; R381-E443 IonicContact NH1-OE2 2.7Å; R381-E443 IonicContact NH2-OE1 3.89Å; W412-E443 PolarHBondContact NE1-O 3.32Å; W412-E443 VanDerWaalsContact NE1-O 3.13Å; F430-E443 VanDerWaalsContact CD2-O 3.22Å; F430-E443 WeakPolarHBondContact CD2-O 3.14Å; F430-E443 VanDerWaalsContact CE2-O 3.3Å; F430-E443 WeakPolarHBondContact CE2-O 3.32Å
444	A	69	Low	86.7	Confident	32 Å²	32	55.6 Å²	55.6	26%	0.264	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-10.2	178.1	0	0	0	0	0	113.1	F411 F441 R442	F411-A444 HydrophobicContact CD1-CB 4.21Å; F411-A444 HydrophobicContact CE1-CB 3.88Å; F411-A444 HydrophobicContact CZ-CB 4.32Å; F441-A444 WeakPolarHBondContact CD1-O 3.03Å; R442-A444 PolarHBondContact O-N 3.2Å
445	N	71.9	Confident	86.6	Confident	113 Å²	113	56.9 Å²	56.9	60%	0.604	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.2	-174.4	-62.3	-46.5	0	0	0	111.2	F441 R442	F441-N445 CarbonylContact C-O 3.54Å; F441-N445 VanDerWaalsContact CA-O 3.28Å; F441-N445 WeakPolarHBondContact CA-O 3.34Å; F441-N445 WeakPolarHBondContact CD1-O 3.17Å; R442-N445 PolarHBondContact N-O 3.16Å; R442-N445 PolarHBondContact O-N 3.06Å
446	L	81.8	Confident	86.5	Confident	31 Å²	31	58 Å²	58	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131	173.8	-176.1	67.1	0	0	0	109.2	L248 W439 F441	L248-L446 HydrophobicContact CD1-CB 3.75Å; L248-L446 HydrophobicContact CD1-CD2 3.46Å; L248-L446 VanDerWaalsContact CD1-CD2 3.46Å; L248-L446 HydrophobicContact CD1-CG 4.23Å; W439-L446 HydrophobicContact CB-CD1 3.95Å; W439-L446 HydrophobicContact CG-CD1 4.26Å; F441-L446 HydrophobicContact CD1-CB 4.18Å; F441-L446 VanDerWaalsContact CD1-N 3.34Å; F441-L446 HydrophobicContact CD2-CD1 3.81Å; F441-L446 HydrophobicContact CE1-CB 3.67Å; F441-L446 HydrophobicContact CE1-CD1 4.18Å; F441-L446 HydrophobicContact CE2-CB 4.44Å; F441-L446 HydrophobicContact CE2-CD1 3.39Å; F441-L446 HydrophobicContact CE2-CG 4.49Å; F441-L446 HydrophobicContact CG-CD1 4.4Å; F441-L446 HydrophobicContact CZ-CB 3.82Å; F441-L446 HydrophobicContact CZ-CD1 3.58Å; F441-L446 HydrophobicContact CZ-CG 4.24Å
447	E	86.3	Confident	86.5	Confident	48 Å²	48	53.9 Å²	53.9	22%	0.224	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-68.4	147.7	176	-71.1	-81.3	105.8	0	0	110.6	R429 L440 G449 Y450	R429-E447 IonicContact NH1-OE2 2.97Å; L440-E447 HydrophobicContact CB-CB 4.39Å; L440-E447 HydrophobicContact CB-CG 4.42Å; L440-E447 HydrophobicContact CD2-CG 4.19Å; L440-E447 HydrophobicContact CG-CG 4.12Å; L440-E447 WeakPolarHBondContact O-CB 3.37Å; L440-E447 PolarHBondContact O-N 3.38Å; E447-G449 PolarHBondContact O-N 3.39Å; E447-Y450 HydrophobicContact CB-CD2 3.59Å; E447-Y450 HydrophobicContact CB-CE2 3.74Å; E447-Y450 WeakPolarHBondContact O-CD2 3.31Å; E447-Y450 PolarHBondContact O-N 2.94Å
448	P	83.9	Confident	86.2	Confident	113 Å²	113	49.2 Å²	49.2	73%	0.734	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	139.8	178.3	-24.3	34.3	0	0	0	112.5
449	G	83.3	Confident	85.9	Confident	52 Å²	52	54 Å²	54	54%	0.536	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	1.2	177.8	0	0	0	0	0	114.9	E447 Q452	E447-G449 PolarHBondContact O-N 3.39Å; G449-Q452 WeakPolarHBondContact O-CG 3.45Å; G449-Q452 PolarHBondContact O-NE2 2.96Å
450	Y	87	Confident	85.5	Confident	43 Å²	43	55.5 Å²	55.5	17%	0.169	32%	0.324	C	S	.	.			trans	-94.1	154	173.3	-70.5	-80.4	0	0	0	112	Y438 L440 E447 Q452	Y438-Y450 HydrophobicContact CD2-CD1 4.3Å; Y438-Y450 AromaticContact CD2-CE1 3.88Å; Y438-Y450 HydrophobicContact CD2-CE1 3.88Å; Y438-Y450 HydrophobicContact CE1-CE1 4.43Å; Y438-Y450 HydrophobicContact CE2-CD1 4.01Å; Y438-Y450 AromaticContact CE2-CE1 3.18Å; Y438-Y450 HydrophobicContact CE2-CE1 3.18Å; Y438-Y450 AromaticContact CE2-CZ 3.97Å; Y438-Y450 AromaticContact CZ-CE1 3.5Å; L440-Y450 HydrophobicContact CB-CD1 4.05Å; L440-Y450 HydrophobicContact CB-CD2 3.87Å; L440-Y450 HydrophobicContact CB-CE1 3.77Å; L440-Y450 HydrophobicContact CB-CE2 3.52Å; L440-Y450 HydrophobicContact CB-CG 4.1Å; L440-Y450 VanDerWaalsContact CB-CZ 3.45Å; L440-Y450 HydrophobicContact CD2-CE2 3.84Å; L440-Y450 WeakPolarHBondContact CD2-OH 3.3Å; L440-Y450 HydrophobicContact CG-CE2 4.31Å; E447-Y450 HydrophobicContact CB-CD2 3.59Å; E447-Y450 HydrophobicContact CB-CE2 3.74Å; E447-Y450 WeakPolarHBondContact O-CD2 3.31Å; E447-Y450 PolarHBondContact O-N 2.94Å; Y450-Q452 HydrophobicContact CD1-CB 4.04Å; Y450-Q452 HydrophobicContact CD1-CG 3.84Å; Y450-Q452 HydrophobicContact CE1-CB 4.01Å; Y450-Q452 HydrophobicContact CE1-CG 3.8Å
451	P	91.8	Very high	85.4	Confident	35 Å²	35	56.4 Å²	56.4	23%	0.227	33%	0.328	C	S	.	.	S	Bend	cis	-73.7	150	0.6	27.3	-32.5	0	0	0	114.7	R437 Y438 W439	R437-P451 HydrophobicContact CB-CB 4.42Å; Y438-P451 WeakPolarHBondContact O-CA 3.45Å; W439-P451 HydrophobicContact CD2-CB 3.85Å; W439-P451 VanDerWaalsContact CE2-CB 3.44Å; W439-P451 HydrophobicContact CE3-CB 4.48Å; W439-P451 HydrophobicContact CG-CB 4.18Å; W439-P451 HydrophobicContact CH2-CB 4.27Å; W439-P451 HydrophobicContact CZ2-CB 3.68Å; W439-P451 HydrophobicContact CZ2-CG 3.91Å
452	Q	91.8	Very high	85.5	Confident	72 Å²	72	56.7 Å²	56.7	34%	0.336	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152	175.8	-74.3	-71.3	-25.3	0	0	110.1	R437 Y438 G449 Y450	R437-Q452 WeakPolarHBondContact CA-O 3.49Å; Y438-Q452 HydrophobicContact CD1-CB 4.12Å; Y438-Q452 VanDerWaalsContact CD1-O 3.27Å; Y438-Q452 WeakPolarHBondContact CD1-O 3.3Å; Y438-Q452 HydrophobicContact CE1-CB 3.44Å; Y438-Q452 VanDerWaalsContact CE1-CB 3.44Å; Y438-Q452 PolarHBondContact N-O 3.16Å; Y438-Q452 PolarHBondContact O-N 3.47Å; Y438-Q452 VanDerWaalsContact O-N 3.09Å; G449-Q452 WeakPolarHBondContact O-CG 3.45Å; G449-Q452 PolarHBondContact O-NE2 2.96Å; Y450-Q452 HydrophobicContact CD1-CB 4.04Å; Y450-Q452 HydrophobicContact CD1-CG 3.84Å; Y450-Q452 HydrophobicContact CE1-CB 4.01Å; Y450-Q452 HydrophobicContact CE1-CG 3.8Å
453	P	92.9	Very high	85.9	Confident	46 Å²	46	57.2 Å²	57.2	30%	0.299	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	146.4	175.4	29.9	-33.7	0	0	0	110.3	D436 Y438 T455 S456	D436-P453 CarbonylContact O-C 3.47Å; D436-P453 WeakPolarHBondContact O-CA 3.16Å; Y438-P453 WeakPolarHBondContact CE1-O 3.23Å; P453-T455 PolarHBondContact O-N 3.46Å; P453-T455 VanDerWaalsContact O-N 3.11Å; P453-S456 PolarHBondContact O-N 3.4Å; P453-S456 PolarHBondContact O-OG 2.89Å
454	L	92.1	Very high	86.7	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-27.3	-178	-172.4	57.9	0	0	0	112.2	F433 D436 S456 Y457 I461 P462 I466	F433-L454 HydrophobicContact CD1-CD1 3.85Å; F433-L454 HydrophobicContact CE1-CD1 3.68Å; D436-L454 WeakPolarHBondContact O-CB 3.47Å; D436-L454 PolarHBondContact O-N 3.39Å; L454-S456 PolarHBondContact O-N 3.06Å; L454-Y457 HydrophobicContact CD1-CG 4.43Å; L454-Y457 WeakPolarHBondContact O-CB 3.45Å; L454-Y457 PolarHBondContact O-N 3.49Å; L454-I461 HydrophobicContact CD1-CD1 3.97Å; L454-I461 HydrophobicContact CG-CD1 4.25Å; L454-P462 WeakPolarHBondContact CD2-O 3.41Å; L454-P462 WeakPolarHBondContact CG-O 3.33Å; L454-I466 HydrophobicContact CD1-CD1 3.77Å; L454-I466 HydrophobicContact CD2-CD1 4.01Å; L454-I466 HydrophobicContact CD2-CG1 4.08Å; L454-I466 HydrophobicContact CG-CD1 4.49Å
455	T	90.1	Very high	87.8	Confident	93 Å²	93	58.3 Å²	58.3	57%	0.571	33%	0.331	S	S	*	.	H	α-helix	trans	-62.4	-24.4	174.1	54.1	0	0	0	0	114	P453	P453-T455 PolarHBondContact O-N 3.46Å; P453-T455 VanDerWaalsContact O-N 3.11Å
456	S	91.1	Very high	88.9	Confident	53 Å²	53	53 Å²	53	37%	0.371	30%	0.302	S	S	.	.	H	α-helix	trans	-88.8	-11.3	175.1	74	0	0	0	0	113.2	P453 L454	P453-S456 PolarHBondContact O-N 3.4Å; P453-S456 PolarHBondContact O-OG 2.89Å; L454-S456 PolarHBondContact O-N 3.06Å
457	Y	90.5	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.4	-42.7	178.5	-171.5	-85.8	0	0	0	111.5	Y423 R425 V431 F433 Y438 L454 I461 F480 F489 E491 Q494	Y423-Y457 PolarHBondContact OH-OH 3.09Å; R425-Y457 PolarHBondContact NE-OH 3.1Å; R425-Y457 PolarHBondContact NH2-OH 3Å; V431-Y457 HydrophobicContact CG1-CE2 3.77Å; V431-Y457 HydrophobicContact CG2-CE2 4.42Å; F433-Y457 HydrophobicContact CE1-CD2 4.14Å; F433-Y457 HydrophobicContact CE1-CE2 4.19Å; F433-Y457 HydrophobicContact CZ-CD2 4.5Å; F433-Y457 HydrophobicContact CZ-CE2 4.11Å; Y438-Y457 AromaticContact CD1-CD2 3.91Å; Y438-Y457 HydrophobicContact CD1-CD2 3.91Å; Y438-Y457 HydrophobicContact CD1-CG 4.48Å; Y438-Y457 AromaticContact CD2-CD2 3.45Å; Y438-Y457 HydrophobicContact CD2-CD2 3.45Å; Y438-Y457 VanDerWaalsContact CD2-CD2 3.45Å; Y438-Y457 AromaticContact CD2-CE2 3.85Å; Y438-Y457 HydrophobicContact CD2-CE2 3.85Å; Y438-Y457 AromaticContact CE1-CD2 3.87Å; Y438-Y457 HydrophobicContact CE1-CD2 3.87Å; Y438-Y457 HydrophobicContact CE1-CG 4.34Å; Y438-Y457 AromaticContact CE2-CD2 3.36Å; Y438-Y457 HydrophobicContact CE2-CD2 3.36Å; Y438-Y457 AromaticContact CE2-CE2 3.86Å; Y438-Y457 HydrophobicContact CE2-CE2 3.86Å; Y438-Y457 HydrophobicContact CE2-CG 4.46Å; Y438-Y457 AromaticContact CG-CD2 3.7Å; Y438-Y457 HydrophobicContact CG-CD2 3.7Å; Y438-Y457 HydrophobicContact CG-CE2 4.41Å; Y438-Y457 AromaticContact CZ-CD2 3.61Å; L454-Y457 HydrophobicContact CD1-CG 4.43Å; L454-Y457 WeakPolarHBondContact O-CB 3.45Å; L454-Y457 PolarHBondContact O-N 3.49Å; Y457-I461 HydrophobicContact CD1-CD1 3.72Å; Y457-I461 HydrophobicContact CG-CD1 4.2Å; Y457-F480 HydrophobicContact CD1-CZ 4.43Å; Y457-F480 HydrophobicContact CE1-CE2 4.28Å; Y457-F480 AromaticContact CE1-CZ 3.75Å; Y457-F480 HydrophobicContact CE1-CZ 3.75Å; Y457-F489 HydrophobicContact CD1-CE1 4.07Å; Y457-F489 HydrophobicContact CD1-CE2 4.44Å; Y457-F489 AromaticContact CD1-CZ 3.83Å; Y457-F489 HydrophobicContact CD1-CZ 3.83Å; Y457-F489 HydrophobicContact CE1-CD1 4.07Å; Y457-F489 AromaticContact CE1-CE1 3.46Å; Y457-F489 HydrophobicContact CE1-CE1 3.46Å; Y457-F489 VanDerWaalsContact CE1-CE1 3.46Å; Y457-F489 AromaticContact CE1-CZ 3.71Å; Y457-F489 HydrophobicContact CE1-CZ 3.71Å; Y457-E491 PolarHBondContact OH-OE1 2.77Å; Y457-E491 PolarHBondContact OH-OE2 3.3Å; Y457-Q494 PolarHBondContact O-NE2 2.57Å; Y457-Q494 VanDerWaalsContact O-NE2 3.16Å
458	G	87.8	Confident	89.9	Confident	11 Å²	11	49.6 Å²	49.6	11%	0.113	29%	0.286	C	S	.	.			trans	175.5	165.8	177.3	0	0	0	0	0	112.4	Q494	G458-Q494 WeakPolarHBondContact CA-O 3.37Å
459	L	88.4	Confident	90.4	Very high	109 Å²	109	44.4 Å²	44.4	57%	0.571	25%	0.252	S	S	*	.	B	Isolated β-bridge	trans	-88.3	146.4	179.2	-63.3	169.8	0	0	0	110.5	Q494 R495 G496	L459-Q494 PolarHBondContact N-O 2.66Å; L459-Q494 VanDerWaalsContact N-O 3.13Å; L459-R495 HydrophobicContact CB-CG 4.36Å; L459-R495 CarbonylContact O-C 3.55Å; L459-R495 WeakPolarHBondContact O-CA 3.31Å; L459-G496 PolarHBondContact O-N 2.91Å
460	G	86.4	Confident	90.9	Very high	52 Å²	52	42.3 Å²	42.3	54%	0.536	23%	0.229	S	C	.	.	S	Bend	trans	78.3	29.8	174.3	0	0	0	0	0	114.7
461	I	91.1	Very high	91.2	Very high	20 Å²	20	43.5 Å²	43.5	10%	0.103	23%	0.233	C	C	.	.	S	Bend	trans	-122.4	169.4	171.9	64.1	170.5	0	0	0	109.8	L454 Y457 F480 F489	L454-I461 HydrophobicContact CD1-CD1 3.97Å; L454-I461 HydrophobicContact CG-CD1 4.25Å; Y457-I461 HydrophobicContact CD1-CD1 3.72Å; Y457-I461 HydrophobicContact CG-CD1 4.2Å; I461-F480 HydrophobicContact CB-CD2 4.29Å; I461-F480 HydrophobicContact CG2-CD2 3.82Å; I461-F480 HydrophobicContact CG2-CE2 3.84Å; I461-F489 HydrophobicContact CG2-CB 4.38Å; I461-F489 HydrophobicContact CG2-CD2 3.38Å; I461-F489 HydrophobicContact CG2-CE2 3.9Å; I461-F489 HydrophobicContact CG2-CG 4.15Å
462	P	87.9	Confident	91.1	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.039	23%	0.226	C	C	.	.			trans	-53.3	140.3	170.8	-27.1	37.2	0	0	0	112	L454 R465 I466 Q482 W487	L454-P462 WeakPolarHBondContact CD2-O 3.41Å; L454-P462 WeakPolarHBondContact CG-O 3.33Å; P462-R465 WeakPolarHBondContact CB-O 3.33Å; P462-I466 HydrophobicContact CB-CG1 4.49Å; P462-Q482 HydrophobicContact CG-CB 4.35Å; P462-W487 HydrophobicContact CG-CD2 3.73Å; P462-W487 HydrophobicContact CG-CE3 3.7Å; P462-W487 HydrophobicContact CG-CH2 3.81Å; P462-W487 HydrophobicContact CG-CZ2 3.78Å; P462-W487 HydrophobicContact CG-CZ3 3.79Å
463	Y	86.8	Confident	90.8	Very high	178 Å²	178	44.8 Å²	44.8	70%	0.698	24%	0.235	S	C	*	.	S	Bend	trans	-99.9	-16.1	-179.4	61.6	-93.2	0	0	0	113.4
464	D	88	Confident	90.4	Very high	54 Å²	54	46 Å²	46	29%	0.289	24%	0.243	S	C	.	.	S	Bend	trans	-102.5	-47.7	-171.3	66.2	-44.7	0	0	0	113.1	G435 D436 Q482	G435-D464 CarbonylContact C-O 3.59Å; D436-D464 WeakPolarHBondContact CA-O 3.46Å; D436-D464 PolarHBondContact N-O 2.9Å; D436-D464 VanDerWaalsContact N-O 3.11Å; D464-Q482 PolarHBondContact OD1-NE2 3.29Å; D464-Q482 PolarHBondContact OD2-NE2 2.9Å
465	R	92.5	Very high	90.2	Very high	95 Å²	95	48.7 Å²	48.7	36%	0.358	26%	0.259	S	S	.	.			trans	-163.9	161.5	175.6	67.5	177.9	-173.3	-91.4	-4.5	112.9	G435 P462 D467 Q482 E483	G435-R465 WeakPolarHBondContact O-CA 3.4Å; P462-R465 WeakPolarHBondContact CB-O 3.33Å; R465-D467 IonicContact NE-OD1 2.67Å; R465-Q482 PolarHBondContact O-NE2 2.56Å; R465-E483 IonicContact NH2-OE1 2.83Å; R465-E483 PolarHBondContact NH2-OE1 3.33Å; R465-E483 VanDerWaalsContact NH2-OE1 3.07Å
466	I	94.9	Very high	90.1	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.249	C	C	.	.			trans	-121.6	125.4	171.8	-67.4	166.7	0	0	0	108.6	S420 A421 F433 L454 P462 T468 A469 F480	S420-I466 WeakPolarHBondContact CB-O 3.38Å; S420-I466 PolarHBondContact OG-O 2.84Å; A421-I466 HydrophobicContact CB-CG2 4Å; F433-I466 HydrophobicContact CB-CB 4.4Å; F433-I466 HydrophobicContact CD1-CD1 3.74Å; F433-I466 HydrophobicContact CD2-CB 4.49Å; F433-I466 HydrophobicContact CD2-CD1 4.36Å; F433-I466 HydrophobicContact CD2-CG2 4.37Å; F433-I466 HydrophobicContact CE1-CD1 3.61Å; F433-I466 HydrophobicContact CE2-CD1 4.21Å; F433-I466 HydrophobicContact CG-CB 4.28Å; F433-I466 HydrophobicContact CG-CD1 4.11Å; F433-I466 HydrophobicContact CZ-CD1 3.84Å; L454-I466 HydrophobicContact CD1-CD1 3.77Å; L454-I466 HydrophobicContact CD2-CD1 4.01Å; L454-I466 HydrophobicContact CD2-CG1 4.08Å; L454-I466 HydrophobicContact CG-CD1 4.49Å; P462-I466 HydrophobicContact CB-CG1 4.49Å; I466-T468 WeakPolarHBondContact CG2-O 3.28Å; I466-A469 HydrophobicContact CG2-CB 4.21Å; I466-F480 HydrophobicContact CD1-CD1 3.73Å; I466-F480 HydrophobicContact CD1-CE1 3.98Å; I466-F480 HydrophobicContact CD1-CG 4.05Å; I466-F480 HydrophobicContact CG1-CD1 4.4Å; I466-F480 HydrophobicContact CG2-CB 4.36Å; I466-F480 HydrophobicContact CG2-CD1 3.93Å
467	D	93.5	Very high	90.2	Very high	9 Å²	9	45 Å²	45	5%	0.048	24%	0.239	C	C	.	.	S	Bend	trans	-86	-32.3	-179.5	-67	-25.6	0	0	0	112	S420 R465 F481 E483 S513	S420-D467 VanDerWaalsContact O-O 3.08Å; R465-D467 IonicContact NE-OD1 2.67Å; D467-F481 WeakPolarHBondContact CB-O 3.47Å; D467-F481 PolarHBondContact N-O 3.18Å; D467-E483 PolarHBondContact OD2-N 2.96Å; D467-S513 PolarHBondContact OD2-OG 2.94Å
468	T	95.3	Very high	90.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.7	176	-71.5	0	0	0	0	109.4	I466 F481 P514 K515 G516 A517	I466-T468 WeakPolarHBondContact CG2-O 3.28Å; T468-F481 HydrophobicContact CG2-CD2 4.1Å; T468-F481 PolarHBondContact N-O 3.33Å; T468-F481 PolarHBondContact O-N 2.94Å; T468-P514 HydrophobicContact CG2-CG 4.38Å; T468-P514 PolarHBondContact OG1-O 3.3Å; T468-K515 VanDerWaalsContact OG1-C 3.22Å; T468-G516 PolarHBondContact OG1-N 2.96Å; T468-A517 HydrophobicContact CG2-CB 3.52Å
469	A	95.3	Very high	90.7	Very high	3 Å²	3	44.8 Å²	44.8	3%	0.025	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.2	176.1	0	0	0	0	0	109.3	A421 Y423 F433 I466 F479 F480	A421-A469 HydrophobicContact CB-CB 4.28Å; Y423-A469 HydrophobicContact CD1-CB 3.49Å; Y423-A469 VanDerWaalsContact CD1-CB 3.49Å; Y423-A469 HydrophobicContact CE1-CB 4.01Å; Y423-A469 HydrophobicContact CG-CB 4.08Å; F433-A469 HydrophobicContact CD2-CB 4.25Å; F433-A469 HydrophobicContact CE2-CB 3.81Å; I466-A469 HydrophobicContact CG2-CB 4.21Å; A469-F479 WeakPolarHBondContact CA-O 3.5Å; A469-F480 HydrophobicContact CB-CD1 3.7Å; A469-F480 HydrophobicContact CB-CE1 3.82Å
470	I	94.3	Very high	91	Very high	9 Å²	9	39.6 Å²	39.6	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	134.4	173.1	-169.4	175	0	0	0	109.8	T478 F479 F481 A517 L519 T526	I470-T478 CarbonylContact O-C 3.58Å; I470-T478 WeakPolarHBondContact O-CA 3.29Å; I470-F479 HydrophobicContact CG2-CB 4.04Å; I470-F479 PolarHBondContact N-O 2.83Å; I470-F479 PolarHBondContact O-N 2.92Å; I470-F481 HydrophobicContact CG2-CE2 4.1Å; I470-A517 HydrophobicContact CB-CB 4.12Å; I470-A517 HydrophobicContact CD1-CB 3.97Å; I470-A517 HydrophobicContact CG2-CB 4.3Å; I470-L519 HydrophobicContact CD1-CG 4Å; I470-T526 HydrophobicContact CD1-CG2 3.86Å
471	W	92.2	Very high	91.4	Very high	67 Å²	67	37.2 Å²	37.2	25%	0.254	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	116.8	165.3	179.6	64.3	0	0	0	108.7	Y423 E424 Q426 E473 G476 L519	Y423-W471 HydrophobicContact CD2-CB 3.85Å; Y423-W471 HydrophobicContact CE2-CB 4.07Å; E424-W471 WeakPolarHBondContact O-CB 3.23Å; Q426-W471 HydrophobicContact CB-CH2 4.31Å; Q426-W471 HydrophobicContact CB-CZ2 3.71Å; W471-E473 HydrophobicContact CH2-CB 4.43Å; W471-E473 HydrophobicContact CH2-CG 4.26Å; W471-E473 HydrophobicContact CZ3-CB 4.24Å; W471-E473 HydrophobicContact CZ3-CG 4.37Å; W471-E473 PolarHBondContact O-N 3.19Å; W471-G476 PolarHBondContact NE1-O 2.82Å; W471-L519 WeakPolarHBondContact O-CD1 3.25Å
472	W	90.2	Very high	91.6	Very high	22 Å²	22	36.7 Å²	36.7	8%	0.083	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	89.1	-171.3	-156.6	49.3	0	0	0	110.7	P474 T475 G476 H477 F479 W507 T526 N539 L542	W472-P474 VanDerWaalsContact C-N 3.31Å; W472-P474 VanDerWaalsContact O-N 3.15Å; W472-T475 HydrophobicContact CE3-CG2 3.43Å; W472-T475 VanDerWaalsContact CE3-CG2 3.43Å; W472-T475 HydrophobicContact CH2-CG2 4.44Å; W472-T475 HydrophobicContact CZ3-CG2 3.39Å; W472-T475 PolarHBondContact O-N 2.96Å; W472-T475 PolarHBondContact O-OG1 2.86Å; W472-G476 PolarHBondContact O-N 2.93Å; W472-H477 WeakPolarHBondContact CB-O 3.32Å; W472-H477 PolarHBondContact N-O 3.31Å; W472-F479 HydrophobicContact CB-CD2 3.52Å; W472-F479 HydrophobicContact CB-CE2 3.68Å; W472-F479 HydrophobicContact CD2-CD2 4.49Å; W472-F479 HydrophobicContact CD2-CE2 4.08Å; W472-F479 HydrophobicContact CD2-CZ 4.43Å; W472-F479 HydrophobicContact CE3-CD2 4.29Å; W472-F479 HydrophobicContact CE3-CE1 4.4Å; W472-F479 AromaticContact CE3-CE2 3.47Å; W472-F479 HydrophobicContact CE3-CE2 3.47Å; W472-F479 VanDerWaalsContact CE3-CE2 3.47Å; W472-F479 AromaticContact CE3-CZ 3.52Å; W472-F479 HydrophobicContact CE3-CZ 3.52Å; W472-F479 HydrophobicContact CG-CD2 4.23Å; W472-F479 HydrophobicContact CG-CE2 4.19Å; W472-F479 HydrophobicContact CZ3-CE2 4.41Å; W472-F479 HydrophobicContact CZ3-CZ 4.03Å; W472-W507 HydrophobicContact CD2-CH2 4.37Å; W472-W507 HydrophobicContact CH2-CH2 4.32Å; W472-W507 HydrophobicContact CZ2-CH2 4.11Å; W472-W507 HydrophobicContact CZ2-CZ3 4.24Å; W472-T526 PolarHBondContact NE1-OG1 3.39Å; W472-N539 HydrophobicContact CZ2-CB 3.96Å; W472-L542 HydrophobicContact CH2-CD2 4.21Å
473	E	85.8	Confident	91.7	Very high	112 Å²	112	40.4 Å²	40.4	52%	0.523	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-44.3	-43.6	-177.3	-171.9	-179.9	166.4	0	0	114.3	W471 T475 G476 L519 A523	W471-E473 HydrophobicContact CH2-CB 4.43Å; W471-E473 HydrophobicContact CH2-CG 4.26Å; W471-E473 HydrophobicContact CZ3-CB 4.24Å; W471-E473 HydrophobicContact CZ3-CG 4.37Å; W471-E473 PolarHBondContact O-N 3.19Å; E473-T475 PolarHBondContact O-N 2.92Å; E473-G476 PolarHBondContact O-N 2.92Å; E473-L519 HydrophobicContact CB-CD1 3.92Å; E473-A523 HydrophobicContact CB-CB 4.23Å; E473-A523 HydrophobicContact CG-CB 4.5Å
474	P	85.3	Confident	91.9	Very high	72 Å²	72	35.6 Å²	35.6	47%	0.468	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-58.1	-23.7	-178.9	-26.8	36.3	0	0	0	115	W472 A523	W472-P474 VanDerWaalsContact C-N 3.31Å; W472-P474 VanDerWaalsContact O-N 3.15Å; P474-A523 HydrophobicContact CG-CB 4.46Å
475	T	86.4	Confident	92.1	Very high	57 Å²	57	37.1 Å²	37.1	35%	0.35	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-117.7	-8.8	179.5	63.9	0	0	0	0	113.6	W472 E473 H477	W472-T475 HydrophobicContact CE3-CG2 3.43Å; W472-T475 VanDerWaalsContact CE3-CG2 3.43Å; W472-T475 HydrophobicContact CH2-CG2 4.44Å; W472-T475 HydrophobicContact CZ3-CG2 3.39Å; W472-T475 PolarHBondContact O-N 2.96Å; W472-T475 PolarHBondContact O-OG1 2.86Å; E473-T475 PolarHBondContact O-N 2.92Å; T475-H477 PolarHBondContact O-CD2 3.49Å; T475-H477 PolarHBondContact O-N 2.79Å; T475-H477 PolarHBondContact OG1-N 3.03Å
476	G	88.4	Confident	92.2	Very high	34 Å²	34	33 Å²	33	35%	0.351	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.7	-173.2	0	0	0	0	0	115	W471 W472 E473	W471-G476 PolarHBondContact NE1-O 2.82Å; W472-G476 PolarHBondContact O-N 2.93Å; E473-G476 PolarHBondContact O-N 2.92Å
477	H	93.1	Very high	92.2	Very high	35 Å²	35	34 Å²	34	16%	0.162	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	151	-179.7	-69.2	-78.2	0	0	0	112.2	W472 T475 F479 R488 F489 D497	W472-H477 WeakPolarHBondContact CB-O 3.32Å; W472-H477 PolarHBondContact N-O 3.31Å; T475-H477 PolarHBondContact O-CD2 3.49Å; T475-H477 PolarHBondContact O-N 2.79Å; T475-H477 PolarHBondContact OG1-N 3.03Å; H477-F479 HydrophobicContact CB-CD2 4.44Å; H477-F479 HydrophobicContact CB-CE2 3.86Å; H477-F479 WeakPolarHBondContact O-CD2 3.34Å; H477-R488 HydrophobicContact CB-CG 3.65Å; H477-F489 WeakPolarHBondContact CB-O 3.45Å; H477-F489 PolarHBondContact ND1-O 2.81Å; H477-D497 IonicContact CE1-OD2 3.58Å
478	T	94.8	Very high	92.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	135.4	170.3	-58.8	0	0	0	0	109.9	Y423 I470 F480 F489 E491	Y423-T478 HydrophobicContact CD2-CG2 4.35Å; Y423-T478 HydrophobicContact CE1-CG2 4.3Å; Y423-T478 HydrophobicContact CE2-CG2 3.62Å; I470-T478 CarbonylContact O-C 3.58Å; I470-T478 WeakPolarHBondContact O-CA 3.29Å; T478-F480 HydrophobicContact CG2-CD1 4.21Å; T478-F480 HydrophobicContact CG2-CE1 3.58Å; T478-F480 HydrophobicContact CG2-CE2 4.17Å; T478-F480 HydrophobicContact CG2-CZ 3.55Å; T478-F489 PolarHBondContact N-O 2.94Å; T478-F489 WeakPolarHBondContact O-CB 3.45Å; T478-F489 PolarHBondContact O-N 2.91Å; T478-E491 WeakPolarHBondContact CB-OE1 3.42Å; T478-E491 WeakPolarHBondContact OG1-CG 3.28Å; T478-E491 PolarHBondContact OG1-OE1 2.83Å
479	F	94.5	Very high	92.3	Very high	7 Å²	7	37.2 Å²	37.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.1	177.5	-73.5	-110.7	0	0	0	109.8	A469 I470 W472 H477 F481 Y486 W487 R488 W507	A469-F479 WeakPolarHBondContact CA-O 3.5Å; I470-F479 HydrophobicContact CG2-CB 4.04Å; I470-F479 PolarHBondContact N-O 2.83Å; I470-F479 PolarHBondContact O-N 2.92Å; W472-F479 HydrophobicContact CB-CD2 3.52Å; W472-F479 HydrophobicContact CB-CE2 3.68Å; W472-F479 HydrophobicContact CD2-CD2 4.49Å; W472-F479 HydrophobicContact CD2-CE2 4.08Å; W472-F479 HydrophobicContact CD2-CZ 4.43Å; W472-F479 HydrophobicContact CE3-CD2 4.29Å; W472-F479 HydrophobicContact CE3-CE1 4.4Å; W472-F479 AromaticContact CE3-CE2 3.47Å; W472-F479 HydrophobicContact CE3-CE2 3.47Å; W472-F479 VanDerWaalsContact CE3-CE2 3.47Å; W472-F479 AromaticContact CE3-CZ 3.52Å; W472-F479 HydrophobicContact CE3-CZ 3.52Å; W472-F479 HydrophobicContact CG-CD2 4.23Å; W472-F479 HydrophobicContact CG-CE2 4.19Å; W472-F479 HydrophobicContact CZ3-CE2 4.41Å; W472-F479 HydrophobicContact CZ3-CZ 4.03Å; H477-F479 HydrophobicContact CB-CD2 4.44Å; H477-F479 HydrophobicContact CB-CE2 3.86Å; H477-F479 WeakPolarHBondContact O-CD2 3.34Å; F479-F481 HydrophobicContact CB-CE2 3.81Å; F479-F481 HydrophobicContact CB-CZ 4.18Å; F479-Y486 AromaticContact CD1-CD2 3.75Å; F479-Y486 HydrophobicContact CD1-CD2 3.75Å; F479-Y486 AromaticContact CD1-CE2 3.91Å; F479-Y486 HydrophobicContact CD1-CE2 3.91Å; F479-Y486 HydrophobicContact CE1-CD2 4.16Å; F479-Y486 AromaticContact CE1-CE2 3.83Å; F479-Y486 HydrophobicContact CE1-CE2 3.83Å; F479-W487 WeakPolarHBondContact CA-O 3.38Å; F479-R488 HydrophobicContact CE1-CB 4.26Å; F479-R488 HydrophobicContact CE1-CG 4.16Å; F479-R488 HydrophobicContact CE2-CG 4.03Å; F479-R488 HydrophobicContact CZ-CB 4.37Å; F479-R488 HydrophobicContact CZ-CG 3.77Å; F479-W507 HydrophobicContact CD1-CH2 4.39Å; F479-W507 AromaticContact CD1-CZ2 3.67Å; F479-W507 HydrophobicContact CD1-CZ2 3.67Å; F479-W507 HydrophobicContact CE1-CH2 4.47Å; F479-W507 AromaticContact CE1-CZ2 3.82Å; F479-W507 HydrophobicContact CE1-CZ2 3.82Å; F479-W507 HydrophobicContact CG-CZ2 4.46Å
480	F	95.4	Very high	92.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.9	173.4	-58.4	-58.7	0	0	0	109.6	Y423 F433 Y457 I461 I466 A469 T478 Y486 W487 F489	Y423-F480 HydrophobicContact CE1-CE1 4.15Å; F433-F480 AromaticContact CE2-CE1 3.9Å; F433-F480 HydrophobicContact CE2-CE1 3.9Å; F433-F480 AromaticContact CZ-CE1 3.7Å; F433-F480 HydrophobicContact CZ-CE1 3.7Å; F433-F480 HydrophobicContact CZ-CZ 4.18Å; Y457-F480 HydrophobicContact CD1-CZ 4.43Å; Y457-F480 HydrophobicContact CE1-CE2 4.28Å; Y457-F480 AromaticContact CE1-CZ 3.75Å; Y457-F480 HydrophobicContact CE1-CZ 3.75Å; I461-F480 HydrophobicContact CB-CD2 4.29Å; I461-F480 HydrophobicContact CG2-CD2 3.82Å; I461-F480 HydrophobicContact CG2-CE2 3.84Å; I466-F480 HydrophobicContact CD1-CD1 3.73Å; I466-F480 HydrophobicContact CD1-CE1 3.98Å; I466-F480 HydrophobicContact CD1-CG 4.05Å; I466-F480 HydrophobicContact CG1-CD1 4.4Å; I466-F480 HydrophobicContact CG2-CB 4.36Å; I466-F480 HydrophobicContact CG2-CD1 3.93Å; A469-F480 HydrophobicContact CB-CD1 3.7Å; A469-F480 HydrophobicContact CB-CE1 3.82Å; T478-F480 HydrophobicContact CG2-CD1 4.21Å; T478-F480 HydrophobicContact CG2-CE1 3.58Å; T478-F480 HydrophobicContact CG2-CE2 4.17Å; T478-F480 HydrophobicContact CG2-CZ 3.55Å; F480-Y486 CarbonylContact O-C 2.9Å; F480-Y486 WeakPolarHBondContact O-CA 3.43Å; F480-Y486 WeakPolarHBondContact O-CB 3.36Å; F480-W487 HydrophobicContact CB-CB 4.37Å; F480-W487 PolarHBondContact N-O 2.79Å; F480-W487 PolarHBondContact O-N 3.14Å; F480-F489 HydrophobicContact CD2-CB 3.98Å; F480-F489 HydrophobicContact CD2-CG 4.49Å; F480-F489 HydrophobicContact CE2-CB 3.53Å; F480-F489 AromaticContact CE2-CD1 3.98Å; F480-F489 HydrophobicContact CE2-CD1 3.98Å; F480-F489 HydrophobicContact CE2-CD2 4.2Å; F480-F489 AromaticContact CE2-CG 3.65Å; F480-F489 HydrophobicContact CE2-CG 3.65Å; F480-F489 HydrophobicContact CZ-CB 4.47Å; F480-F489 HydrophobicContact CZ-CD1 4.33Å; F480-F489 HydrophobicContact CZ-CG 4.44Å
481	F	94.5	Very high	91.9	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	136.3	177	-60.2	-95.2	0	0	0	109.3	D467 T468 I470 F479 Y486 I504 W507 P514 F528	D467-F481 WeakPolarHBondContact CB-O 3.47Å; D467-F481 PolarHBondContact N-O 3.18Å; T468-F481 HydrophobicContact CG2-CD2 4.1Å; T468-F481 PolarHBondContact N-O 3.33Å; T468-F481 PolarHBondContact O-N 2.94Å; I470-F481 HydrophobicContact CG2-CE2 4.1Å; F479-F481 HydrophobicContact CB-CE2 3.81Å; F479-F481 HydrophobicContact CB-CZ 4.18Å; F481-Y486 HydrophobicContact CE1-CG 4.3Å; F481-I504 HydrophobicContact CD1-CD1 3.8Å; F481-I504 HydrophobicContact CD1-CG1 4.24Å; F481-I504 HydrophobicContact CE1-CD1 4.24Å; F481-I504 HydrophobicContact CE1-CG1 4.33Å; F481-W507 HydrophobicContact CE1-CD2 4.47Å; F481-W507 AromaticContact CE1-CE2 3.97Å; F481-W507 HydrophobicContact CE1-CZ2 4.4Å; F481-W507 AromaticContact CE1-NE1 3.75Å; F481-W507 AromaticContact CZ-CE2 3.95Å; F481-W507 HydrophobicContact CZ-CH2 4.5Å; F481-W507 AromaticContact CZ-CZ2 3.93Å; F481-W507 HydrophobicContact CZ-CZ2 3.93Å; F481-P514 HydrophobicContact CB-CG 4.14Å; F481-P514 HydrophobicContact CD1-CG 4.41Å; F481-P514 HydrophobicContact CG-CG 4.18Å; F481-F528 HydrophobicContact CE1-CE1 4.1Å; F481-F528 AromaticContact CE2-CE1 3.98Å; F481-F528 HydrophobicContact CE2-CE1 3.98Å; F481-F528 AromaticContact CZ-CE1 3.67Å; F481-F528 HydrophobicContact CZ-CE1 3.67Å; F481-F528 AromaticContact CZ-CZ 3.99Å; F481-F528 HydrophobicContact CZ-CZ 3.99Å
482	Q	93.7	Very high	91.8	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	121.9	175.2	-172.8	-169.3	21	0	0	107.9	P462 D464 R465 D484 R485 W487	P462-Q482 HydrophobicContact CG-CB 4.35Å; D464-Q482 PolarHBondContact OD1-NE2 3.29Å; D464-Q482 PolarHBondContact OD2-NE2 2.9Å; R465-Q482 PolarHBondContact O-NE2 2.56Å; Q482-D484 PolarHBondContact O-N 3.11Å; Q482-R485 PolarHBondContact N-O 3.41Å; Q482-R485 PolarHBondContact O-N 2.99Å; Q482-R485 VanDerWaalsContact O-O 3.05Å; Q482-W487 HydrophobicContact CB-CH2 3.99Å; Q482-W487 HydrophobicContact CB-CZ3 3.61Å
483	E	90.4	Very high	91.8	Very high	84 Å²	84	46.1 Å²	46.1	39%	0.393	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-119.6	-179.3	-61.5	176.9	174.4	0	0	112.3	R465 D467 R485 S513	R465-E483 IonicContact NH2-OE1 2.83Å; R465-E483 PolarHBondContact NH2-OE1 3.33Å; R465-E483 VanDerWaalsContact NH2-OE1 3.07Å; D467-E483 PolarHBondContact OD2-N 2.96Å; E483-R485 IonicContact OE2-NH2 3.53Å; E483-S513 WeakPolarHBondContact O-CA 3.36Å; E483-S513 PolarHBondContact O-N 2.92Å
484	D	91.1	Very high	92	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	9.7	-179.9	69.8	-28.4	0	0	0	113.5	Q482 S503 I504	Q482-D484 PolarHBondContact O-N 3.11Å; D484-S503 WeakPolarHBondContact O-CA 3.49Å; D484-I504 PolarHBondContact O-N 2.94Å
485	R	93.5	Very high	92.3	Very high	86 Å²	86	48.9 Å²	48.9	33%	0.325	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	155.6	-173.9	-69.7	-177.1	-56.1	-81.8	4.6	112.3	Q482 E483 W487 P501 K502	Q482-R485 PolarHBondContact N-O 3.41Å; Q482-R485 PolarHBondContact O-N 2.99Å; Q482-R485 VanDerWaalsContact O-O 3.05Å; E483-R485 IonicContact OE2-NH2 3.53Å; R485-W487 HydrophobicContact CB-CH2 3.62Å; R485-W487 HydrophobicContact CB-CZ3 3.61Å; R485-P501 HydrophobicContact CB-CB 3.95Å; R485-P501 HydrophobicContact CG-CB 4.26Å; R485-K502 CarbonylContact C-O 3.54Å; R485-K502 VanDerWaalsContact CA-O 3.29Å; R485-K502 WeakPolarHBondContact CA-O 3.47Å
486	Y	94.2	Very high	92.6	Very high	10 Å²	10	47 Å²	47	4%	0.039	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.4	171.7	80.4	-81	0	0	0	112	F479 F480 F481 Y500 P501 K502 S503 I506 W507	F479-Y486 AromaticContact CD1-CD2 3.75Å; F479-Y486 HydrophobicContact CD1-CD2 3.75Å; F479-Y486 AromaticContact CD1-CE2 3.91Å; F479-Y486 HydrophobicContact CD1-CE2 3.91Å; F479-Y486 HydrophobicContact CE1-CD2 4.16Å; F479-Y486 AromaticContact CE1-CE2 3.83Å; F479-Y486 HydrophobicContact CE1-CE2 3.83Å; F480-Y486 CarbonylContact O-C 2.9Å; F480-Y486 WeakPolarHBondContact O-CA 3.43Å; F480-Y486 WeakPolarHBondContact O-CB 3.36Å; F481-Y486 HydrophobicContact CE1-CG 4.3Å; Y486-Y500 HydrophobicContact CD2-CD1 4.42Å; Y486-Y500 HydrophobicContact CD2-CE1 4.06Å; Y486-Y500 HydrophobicContact CE2-CD1 4.16Å; Y486-Y500 AromaticContact CE2-CE1 3.41Å; Y486-Y500 HydrophobicContact CE2-CE1 3.41Å; Y486-Y500 VanDerWaalsContact CE2-CE1 3.41Å; Y486-Y500 AromaticContact CZ-CE1 3.75Å; Y486-P501 VanDerWaalsContact O-CA 3.3Å; Y486-P501 WeakPolarHBondContact O-CA 3.38Å; Y486-K502 HydrophobicContact CD1-CB 4.1Å; Y486-K502 VanDerWaalsContact CD1-O 3.24Å; Y486-K502 WeakPolarHBondContact CD1-O 3.35Å; Y486-K502 HydrophobicContact CE1-CB 3.46Å; Y486-K502 VanDerWaalsContact CE1-CB 3.46Å; Y486-K502 PolarHBondContact N-O 3.29Å; Y486-K502 PolarHBondContact O-N 3.46Å; Y486-S503 WeakPolarHBondContact CE1-O 3.4Å; Y486-I506 HydrophobicContact CE1-CB 4.26Å; Y486-I506 HydrophobicContact CE1-CD1 4.05Å; Y486-I506 WeakPolarHBondContact OH-CD1 3.47Å; Y486-W507 AromaticContact CD1-CD1 4Å; Y486-W507 AromaticContact CD1-NE1 3.67Å; Y486-W507 AromaticContact CD2-NE1 3.73Å; Y486-W507 AromaticContact CE1-CD1 4Å; Y486-W507 AromaticContact CE1-NE1 3.67Å; Y486-W507 AromaticContact CE2-NE1 3.68Å; Y486-W507 AromaticContact CG-NE1 3.71Å; Y486-W507 AromaticContact CZ-NE1 3.69Å
487	W	94.9	Very high	92.8	Very high	19 Å²	19	46.8 Å²	46.8	7%	0.072	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.3	179.5	-67.9	-107.2	0	0	0	109.1	P462 F479 F480 Q482 R485 P501	P462-W487 HydrophobicContact CG-CD2 3.73Å; P462-W487 HydrophobicContact CG-CE3 3.7Å; P462-W487 HydrophobicContact CG-CH2 3.81Å; P462-W487 HydrophobicContact CG-CZ2 3.78Å; P462-W487 HydrophobicContact CG-CZ3 3.79Å; F479-W487 WeakPolarHBondContact CA-O 3.38Å; F480-W487 HydrophobicContact CB-CB 4.37Å; F480-W487 PolarHBondContact N-O 2.79Å; F480-W487 PolarHBondContact O-N 3.14Å; Q482-W487 HydrophobicContact CB-CH2 3.99Å; Q482-W487 HydrophobicContact CB-CZ3 3.61Å; R485-W487 HydrophobicContact CB-CH2 3.62Å; R485-W487 HydrophobicContact CB-CZ3 3.61Å; W487-P501 HydrophobicContact CD2-CB 3.88Å; W487-P501 VanDerWaalsContact CE2-CB 3.45Å; W487-P501 HydrophobicContact CE3-CB 4.34Å; W487-P501 HydrophobicContact CG-CB 4.42Å; W487-P501 HydrophobicContact CH2-CB 3.98Å; W487-P501 HydrophobicContact CH2-CG 4.42Å; W487-P501 HydrophobicContact CZ2-CB 3.53Å; W487-P501 HydrophobicContact CZ2-CG 3.66Å; W487-P501 HydrophobicContact CZ3-CB 4.34Å
488	R	94.6	Very high	92.6	Very high	77 Å²	77	51 Å²	51	29%	0.291	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.8	169.5	-171.5	172	70.9	-179.2	8.3	108.6	H477 F479 G496 D497 Y500	H477-R488 HydrophobicContact CB-CG 3.65Å; F479-R488 HydrophobicContact CE1-CB 4.26Å; F479-R488 HydrophobicContact CE1-CG 4.16Å; F479-R488 HydrophobicContact CE2-CG 4.03Å; F479-R488 HydrophobicContact CZ-CB 4.37Å; F479-R488 HydrophobicContact CZ-CG 3.77Å; R488-G496 WeakPolarHBondContact O-CA 3.14Å; R488-D497 IonicContact CZ-OD2 3.07Å; R488-D497 IonicContact NE-OD2 3.5Å; R488-D497 PolarHBondContact NE-OD2 3.45Å; R488-D497 IonicContact NH2-OD2 2.73Å; R488-D497 PolarHBondContact NH2-OD2 3.04Å; R488-D497 PolarHBondContact O-N 2.86Å; R488-Y500 HydrophobicContact CB-CD1 4.18Å; R488-Y500 HydrophobicContact CB-CD2 4.03Å; R488-Y500 HydrophobicContact CB-CE1 3.79Å; R488-Y500 HydrophobicContact CB-CE2 3.61Å; R488-Y500 HydrophobicContact CB-CG 4.29Å; R488-Y500 VanDerWaalsContact CB-CZ 3.46Å
489	F	94.7	Very high	92.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133	-173.4	-176.3	-104.1	0	0	0	110.5	Y457 I461 H477 T478 F480 E491 Q494	Y457-F489 HydrophobicContact CD1-CE1 4.07Å; Y457-F489 HydrophobicContact CD1-CE2 4.44Å; Y457-F489 AromaticContact CD1-CZ 3.83Å; Y457-F489 HydrophobicContact CD1-CZ 3.83Å; Y457-F489 HydrophobicContact CE1-CD1 4.07Å; Y457-F489 AromaticContact CE1-CE1 3.46Å; Y457-F489 HydrophobicContact CE1-CE1 3.46Å; Y457-F489 VanDerWaalsContact CE1-CE1 3.46Å; Y457-F489 AromaticContact CE1-CZ 3.71Å; Y457-F489 HydrophobicContact CE1-CZ 3.71Å; I461-F489 HydrophobicContact CG2-CB 4.38Å; I461-F489 HydrophobicContact CG2-CD2 3.38Å; I461-F489 HydrophobicContact CG2-CE2 3.9Å; I461-F489 HydrophobicContact CG2-CG 4.15Å; H477-F489 WeakPolarHBondContact CB-O 3.45Å; H477-F489 PolarHBondContact ND1-O 2.81Å; T478-F489 PolarHBondContact N-O 2.94Å; T478-F489 WeakPolarHBondContact O-CB 3.45Å; T478-F489 PolarHBondContact O-N 2.91Å; F480-F489 HydrophobicContact CD2-CB 3.98Å; F480-F489 HydrophobicContact CD2-CG 4.49Å; F480-F489 HydrophobicContact CE2-CB 3.53Å; F480-F489 AromaticContact CE2-CD1 3.98Å; F480-F489 HydrophobicContact CE2-CD1 3.98Å; F480-F489 HydrophobicContact CE2-CD2 4.2Å; F480-F489 AromaticContact CE2-CG 3.65Å; F480-F489 HydrophobicContact CE2-CG 3.65Å; F480-F489 HydrophobicContact CZ-CB 4.47Å; F480-F489 HydrophobicContact CZ-CD1 4.33Å; F480-F489 HydrophobicContact CZ-CG 4.44Å; F489-E491 HydrophobicContact CD1-CG 4.29Å; F489-E491 HydrophobicContact CE1-CG 4.41Å; F489-Q494 VanDerWaalsContact CZ-C 3.49Å; F489-Q494 VanDerWaalsContact CZ-CA 3.46Å; F489-Q494 HydrophobicContact CZ-CB 4.11Å
490	N	92.6	Very high	92.1	Very high	34 Å²	34	55.3 Å²	55.3	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.2	173.8	-179.3	-45	0	0	0	108.9	E492 T493 Q494 R495	N490-E492 VanDerWaalsContact C-N 3.33Å; N490-E492 PolarHBondContact O-N 2.81Å; N490-E492 WeakPolarHBondContact OD1-CB 3.34Å; N490-E492 PolarHBondContact OD1-N 3.47Å; N490-T493 WeakPolarHBondContact CB-OG1 3.44Å; N490-T493 VanDerWaalsContact CG-OG1 3.28Å; N490-T493 PolarHBondContact OD1-N 2.98Å; N490-T493 PolarHBondContact OD1-OG1 2.84Å; N490-Q494 VanDerWaalsContact O-CA 3.31Å; N490-Q494 WeakPolarHBondContact O-CA 3.18Å; N490-Q494 PolarHBondContact O-N 2.92Å; N490-R495 PolarHBondContact N-O 2.6Å; N490-R495 PolarHBondContact O-N 3.06Å
491	E	90.4	Very high	92	Very high	21 Å²	21	58.2 Å²	58.2	10%	0.098	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.7	-178.2	-68.4	-70	168.7	0	0	113	Y423 R425 Y457 T478 F489	Y423-E491 PolarHBondContact OH-OE1 2.68Å; R425-E491 IonicContact CZ-OE2 2.82Å; R425-E491 IonicContact NE-OE2 2.63Å; R425-E491 PolarHBondContact NE-OE2 2.91Å; R425-E491 IonicContact NH2-OE2 2.82Å; Y457-E491 PolarHBondContact OH-OE1 2.77Å; Y457-E491 PolarHBondContact OH-OE2 3.3Å; T478-E491 WeakPolarHBondContact CB-OE1 3.42Å; T478-E491 WeakPolarHBondContact OG1-CG 3.28Å; T478-E491 PolarHBondContact OG1-OE1 2.83Å; F489-E491 HydrophobicContact CD1-CG 4.29Å; F489-E491 HydrophobicContact CE1-CG 4.41Å
492	E	88.4	Confident	92	Very high	155 Å²	155	62 Å²	62	72%	0.724	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-42	-178.8	-59.2	-177.3	164.4	0	0	111.9	N490	N490-E492 VanDerWaalsContact C-N 3.33Å; N490-E492 PolarHBondContact O-N 2.81Å; N490-E492 WeakPolarHBondContact OD1-CB 3.34Å; N490-E492 PolarHBondContact OD1-N 3.47Å
493	T	90.5	Very high	92	Very high	78 Å²	78	64.2 Å²	64.2	48%	0.479	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-8.7	179.6	62.2	0	0	0	0	113.2	N490 R495	N490-T493 WeakPolarHBondContact CB-OG1 3.44Å; N490-T493 VanDerWaalsContact CG-OG1 3.28Å; N490-T493 PolarHBondContact OD1-N 2.98Å; N490-T493 PolarHBondContact OD1-OG1 2.84Å; T493-R495 WeakPolarHBondContact O-CG 3.36Å; T493-R495 PolarHBondContact O-N 3.19Å
494	Q	90.7	Very high	92	Very high	93 Å²	93	60.5 Å²	60.5	44%	0.435	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	41.3	-171	-60.1	-169	-79.7	0	0	113.4	Y457 G458 L459 F489 N490	Y457-Q494 PolarHBondContact O-NE2 2.57Å; Y457-Q494 VanDerWaalsContact O-NE2 3.16Å; G458-Q494 WeakPolarHBondContact CA-O 3.37Å; L459-Q494 PolarHBondContact N-O 2.66Å; L459-Q494 VanDerWaalsContact N-O 3.13Å; F489-Q494 VanDerWaalsContact CZ-C 3.49Å; F489-Q494 VanDerWaalsContact CZ-CA 3.46Å; F489-Q494 HydrophobicContact CZ-CB 4.11Å; N490-Q494 VanDerWaalsContact O-CA 3.31Å; N490-Q494 WeakPolarHBondContact O-CA 3.18Å; N490-Q494 PolarHBondContact O-N 2.92Å
495	R	91.8	Very high	91.9	Very high	150 Å²	150	61.2 Å²	61.2	57%	0.566	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	142	-177.8	-70.6	-179.3	-177.7	-156	-0.3	112.1	L459 N490 T493	L459-R495 HydrophobicContact CB-CG 4.36Å; L459-R495 CarbonylContact O-C 3.55Å; L459-R495 WeakPolarHBondContact O-CA 3.31Å; N490-R495 PolarHBondContact N-O 2.6Å; N490-R495 PolarHBondContact O-N 3.06Å; T493-R495 WeakPolarHBondContact O-CG 3.36Å; T493-R495 PolarHBondContact O-N 3.19Å
496	G	92.3	Very high	91.6	Very high	16 Å²	16	61.2 Å²	61.2	17%	0.165	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.7	165.2	0	0	0	0	0	110.4	L459 R488	L459-G496 PolarHBondContact O-N 2.91Å; R488-G496 WeakPolarHBondContact O-CA 3.14Å
497	D	91.7	Very high	91.4	Very high	30 Å²	30	61.3 Å²	61.3	16%	0.16	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.4	-177.9	-81.8	-5.3	0	0	0	112.1	H477 R488 G499 Y500	H477-D497 IonicContact CE1-OD2 3.58Å; R488-D497 IonicContact CZ-OD2 3.07Å; R488-D497 IonicContact NE-OD2 3.5Å; R488-D497 PolarHBondContact NE-OD2 3.45Å; R488-D497 IonicContact NH2-OD2 2.73Å; R488-D497 PolarHBondContact NH2-OD2 3.04Å; R488-D497 PolarHBondContact O-N 2.86Å; D497-G499 PolarHBondContact O-N 2.67Å; D497-Y500 HydrophobicContact CB-CD2 3.71Å; D497-Y500 HydrophobicContact CB-CE2 3.84Å; D497-Y500 WeakPolarHBondContact O-CD2 3.38Å; D497-Y500 PolarHBondContact O-N 2.89Å
498	P	90	Very high	91.1	Very high	125 Å²	125	66.3 Å²	66.3	81%	0.812	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	138.7	174	-23.1	33.4	0	0	0	112.2
499	G	88.4	Confident	90.7	Very high	59 Å²	59	64.7 Å²	64.7	61%	0.608	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	11.3	179.9	0	0	0	0	0	115	D497 K502	D497-G499 PolarHBondContact O-N 2.67Å; G499-K502 VanDerWaalsContact O-CE 3.29Å; G499-K502 WeakPolarHBondContact O-CE 3.35Å; G499-K502 WeakPolarHBondContact O-CG 3.46Å
500	Y	91.2	Very high	90.6	Very high	37 Å²	37	65.5 Å²	65.5	15%	0.145	37%	0.37	C	S	.	.			trans	-105.7	152.9	165.4	-69.7	-87.8	0	0	0	110.6	Y486 R488 D497 K502	Y486-Y500 HydrophobicContact CD2-CD1 4.42Å; Y486-Y500 HydrophobicContact CD2-CE1 4.06Å; Y486-Y500 HydrophobicContact CE2-CD1 4.16Å; Y486-Y500 AromaticContact CE2-CE1 3.41Å; Y486-Y500 HydrophobicContact CE2-CE1 3.41Å; Y486-Y500 VanDerWaalsContact CE2-CE1 3.41Å; Y486-Y500 AromaticContact CZ-CE1 3.75Å; R488-Y500 HydrophobicContact CB-CD1 4.18Å; R488-Y500 HydrophobicContact CB-CD2 4.03Å; R488-Y500 HydrophobicContact CB-CE1 3.79Å; R488-Y500 HydrophobicContact CB-CE2 3.61Å; R488-Y500 HydrophobicContact CB-CG 4.29Å; R488-Y500 VanDerWaalsContact CB-CZ 3.46Å; D497-Y500 HydrophobicContact CB-CD2 3.71Å; D497-Y500 HydrophobicContact CB-CE2 3.84Å; D497-Y500 WeakPolarHBondContact O-CD2 3.38Å; D497-Y500 PolarHBondContact O-N 2.89Å; Y500-K502 HydrophobicContact CD1-CB 4.15Å; Y500-K502 HydrophobicContact CD1-CD 4.16Å; Y500-K502 HydrophobicContact CD1-CG 3.83Å; Y500-K502 HydrophobicContact CE1-CB 4.23Å; Y500-K502 HydrophobicContact CE1-CD 3.72Å; Y500-K502 HydrophobicContact CE1-CG 3.9Å; Y500-K502 HydrophobicContact CG-CG 4.46Å
501	P	93.3	Very high	90.5	Very high	61 Å²	61	65 Å²	65	40%	0.396	37%	0.369	S	S	.	.	S	Bend	cis	-69.2	151	3.4	22.5	-29.1	0	0	0	114.7	R485 Y486 W487	R485-P501 HydrophobicContact CB-CB 3.95Å; R485-P501 HydrophobicContact CG-CB 4.26Å; Y486-P501 VanDerWaalsContact O-CA 3.3Å; Y486-P501 WeakPolarHBondContact O-CA 3.38Å; W487-P501 HydrophobicContact CD2-CB 3.88Å; W487-P501 VanDerWaalsContact CE2-CB 3.45Å; W487-P501 HydrophobicContact CE3-CB 4.34Å; W487-P501 HydrophobicContact CG-CB 4.42Å; W487-P501 HydrophobicContact CH2-CB 3.98Å; W487-P501 HydrophobicContact CH2-CG 4.42Å; W487-P501 HydrophobicContact CZ2-CB 3.53Å; W487-P501 HydrophobicContact CZ2-CG 3.66Å; W487-P501 HydrophobicContact CZ3-CB 4.34Å
502	K	93.2	Very high	90.4	Very high	82 Å²	82	66.1 Å²	66.1	36%	0.357	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	157.9	169.3	-68.5	-174.5	-177.5	179.5	0	110.5	R485 Y486 G499 Y500 I506	R485-K502 CarbonylContact C-O 3.54Å; R485-K502 VanDerWaalsContact CA-O 3.29Å; R485-K502 WeakPolarHBondContact CA-O 3.47Å; Y486-K502 HydrophobicContact CD1-CB 4.1Å; Y486-K502 VanDerWaalsContact CD1-O 3.24Å; Y486-K502 WeakPolarHBondContact CD1-O 3.35Å; Y486-K502 HydrophobicContact CE1-CB 3.46Å; Y486-K502 VanDerWaalsContact CE1-CB 3.46Å; Y486-K502 PolarHBondContact N-O 3.29Å; Y486-K502 PolarHBondContact O-N 3.46Å; G499-K502 VanDerWaalsContact O-CE 3.29Å; G499-K502 WeakPolarHBondContact O-CE 3.35Å; G499-K502 WeakPolarHBondContact O-CG 3.46Å; Y500-K502 HydrophobicContact CD1-CB 4.15Å; Y500-K502 HydrophobicContact CD1-CD 4.16Å; Y500-K502 HydrophobicContact CD1-CG 3.83Å; Y500-K502 HydrophobicContact CE1-CB 4.23Å; Y500-K502 HydrophobicContact CE1-CD 3.72Å; Y500-K502 HydrophobicContact CE1-CG 3.9Å; Y500-K502 HydrophobicContact CG-CG 4.46Å; K502-I506 HydrophobicContact CB-CD1 3.93Å; K502-I506 HydrophobicContact CD-CD1 3.79Å; K502-I506 HydrophobicContact CG-CD1 4.42Å
503	S	93.1	Very high	90.4	Very high	54 Å²	54	59.9 Å²	59.9	38%	0.378	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.6	175.5	177.2	0	0	0	0	111	D484 Y486 S505 I506	D484-S503 WeakPolarHBondContact O-CA 3.49Å; Y486-S503 WeakPolarHBondContact CE1-O 3.4Å; S503-S505 PolarHBondContact O-N 3.48Å; S503-S505 VanDerWaalsContact O-N 3.1Å; S503-S505 PolarHBondContact OG-N 2.7Å; S503-S505 PolarHBondContact OG-OG 3.33Å; S503-I506 PolarHBondContact O-N 3.2Å
504	I	91.6	Very high	90.5	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.036	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.8	-15.8	176.1	-160.6	170.8	0	0	0	112.7	F481 D484 I506 W507 A512	F481-I504 HydrophobicContact CD1-CD1 3.8Å; F481-I504 HydrophobicContact CD1-CG1 4.24Å; F481-I504 HydrophobicContact CE1-CD1 4.24Å; F481-I504 HydrophobicContact CE1-CG1 4.33Å; D484-I504 PolarHBondContact O-N 2.94Å; I504-I506 PolarHBondContact O-N 3.36Å; I504-W507 HydrophobicContact CG1-CB 4.41Å; I504-W507 HydrophobicContact CG1-CG 4.43Å; I504-W507 WeakPolarHBondContact O-CA 3.34Å; I504-W507 VanDerWaalsContact O-CB 3.3Å; I504-W507 WeakPolarHBondContact O-CB 3.45Å; I504-W507 PolarHBondContact O-N 3.35Å; I504-A512 HydrophobicContact CG2-CB 4.26Å
505	S	88.9	Confident	90.6	Very high	92 Å²	92	55.6 Å²	55.6	64%	0.643	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58	-17	176.3	-57.5	0	0	0	0	114.4	S503 W507	S503-S505 PolarHBondContact O-N 3.48Å; S503-S505 VanDerWaalsContact O-N 3.1Å; S503-S505 PolarHBondContact OG-N 2.7Å; S503-S505 PolarHBondContact OG-OG 3.33Å; S505-W507 PolarHBondContact O-N 2.73Å
506	I	88	Confident	90.6	Very high	86 Å²	86	48.5 Å²	48.5	44%	0.441	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.3	-33.9	169.8	-64	177.9	0	0	0	111	Y486 K502 S503 I504 Q508	Y486-I506 HydrophobicContact CE1-CB 4.26Å; Y486-I506 HydrophobicContact CE1-CD1 4.05Å; Y486-I506 WeakPolarHBondContact OH-CD1 3.47Å; K502-I506 HydrophobicContact CB-CD1 3.93Å; K502-I506 HydrophobicContact CD-CD1 3.79Å; K502-I506 HydrophobicContact CG-CD1 4.42Å; S503-I506 PolarHBondContact O-N 3.2Å; I504-I506 PolarHBondContact O-N 3.36Å; I506-Q508 VanDerWaalsContact C-N 3.28Å; I506-Q508 PolarHBondContact O-N 2.75Å
507	W	88.3	Confident	90.7	Very high	11 Å²	11	48 Å²	48	4%	0.042	30%	0.297	C	S	.	.	S	Bend	trans	-79.8	75.8	172.5	-57.6	84.1	0	0	0	109.4	W472 F479 F481 Y486 I504 S505 G509 I510 F528 F537	W472-W507 HydrophobicContact CD2-CH2 4.37Å; W472-W507 HydrophobicContact CH2-CH2 4.32Å; W472-W507 HydrophobicContact CZ2-CH2 4.11Å; W472-W507 HydrophobicContact CZ2-CZ3 4.24Å; F479-W507 HydrophobicContact CD1-CH2 4.39Å; F479-W507 AromaticContact CD1-CZ2 3.67Å; F479-W507 HydrophobicContact CD1-CZ2 3.67Å; F479-W507 HydrophobicContact CE1-CH2 4.47Å; F479-W507 AromaticContact CE1-CZ2 3.82Å; F479-W507 HydrophobicContact CE1-CZ2 3.82Å; F479-W507 HydrophobicContact CG-CZ2 4.46Å; F481-W507 HydrophobicContact CE1-CD2 4.47Å; F481-W507 AromaticContact CE1-CE2 3.97Å; F481-W507 HydrophobicContact CE1-CZ2 4.4Å; F481-W507 AromaticContact CE1-NE1 3.75Å; F481-W507 AromaticContact CZ-CE2 3.95Å; F481-W507 HydrophobicContact CZ-CH2 4.5Å; F481-W507 AromaticContact CZ-CZ2 3.93Å; F481-W507 HydrophobicContact CZ-CZ2 3.93Å; Y486-W507 AromaticContact CD1-CD1 4Å; Y486-W507 AromaticContact CD1-NE1 3.67Å; Y486-W507 AromaticContact CD2-NE1 3.73Å; Y486-W507 AromaticContact CE1-CD1 4Å; Y486-W507 AromaticContact CE1-NE1 3.67Å; Y486-W507 AromaticContact CE2-NE1 3.68Å; Y486-W507 AromaticContact CG-NE1 3.71Å; Y486-W507 AromaticContact CZ-NE1 3.69Å; I504-W507 HydrophobicContact CG1-CB 4.41Å; I504-W507 HydrophobicContact CG1-CG 4.43Å; I504-W507 WeakPolarHBondContact O-CA 3.34Å; I504-W507 VanDerWaalsContact O-CB 3.3Å; I504-W507 WeakPolarHBondContact O-CB 3.45Å; I504-W507 PolarHBondContact O-N 3.35Å; S505-W507 PolarHBondContact O-N 2.73Å; W507-G509 PolarHBondContact O-N 2.9Å; W507-G509 VanDerWaalsContact O-N 3.13Å; W507-I510 HydrophobicContact CB-CB 3.96Å; W507-I510 HydrophobicContact CB-CG1 3.91Å; W507-I510 WeakPolarHBondContact O-CB 3.41Å; W507-I510 PolarHBondContact O-N 3.28Å; W507-F528 HydrophobicContact CD2-CZ 4.27Å; W507-F528 AromaticContact CE3-CE2 3.91Å; W507-F528 HydrophobicContact CE3-CE2 3.91Å; W507-F528 AromaticContact CE3-CZ 3.72Å; W507-F528 HydrophobicContact CE3-CZ 3.72Å; W507-F528 HydrophobicContact CH2-CZ 4.48Å; W507-F528 HydrophobicContact CZ3-CE2 4.16Å; W507-F528 AromaticContact CZ3-CZ 3.84Å; W507-F528 HydrophobicContact CZ3-CZ 3.84Å; W507-F537 HydrophobicContact CB-CE2 4.23Å; W507-F537 HydrophobicContact CD2-CZ 4.34Å; W507-F537 AromaticContact CE3-CD1 3.8Å; W507-F537 HydrophobicContact CE3-CD1 3.8Å; W507-F537 HydrophobicContact CE3-CD2 4.3Å; W507-F537 AromaticContact CE3-CE1 3.44Å; W507-F537 HydrophobicContact CE3-CE1 3.44Å; W507-F537 VanDerWaalsContact CE3-CE1 3.44Å; W507-F537 AromaticContact CE3-CE2 3.98Å; W507-F537 HydrophobicContact CE3-CE2 3.98Å; W507-F537 HydrophobicContact CE3-CG 4.21Å; W507-F537 AromaticContact CE3-CZ 3.51Å; W507-F537 HydrophobicContact CE3-CZ 3.51Å; W507-F537 AromaticContact CZ3-CD1 3.8Å; W507-F537 HydrophobicContact CZ3-CD1 3.8Å; W507-F537 AromaticContact CZ3-CE1 3.52Å; W507-F537 HydrophobicContact CZ3-CE1 3.52Å; W507-F537 HydrophobicContact CZ3-CZ 4.08Å
508	Q	88.7	Confident	90.8	Very high	124 Å²	124	46.9 Å²	46.9	58%	0.579	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-56.3	119.1	-170.7	-62.8	-175.1	15.5	0	0	112.1	I506 R543 M544	I506-Q508 VanDerWaalsContact C-N 3.28Å; I506-Q508 PolarHBondContact O-N 2.75Å; Q508-R543 HydrophobicContact CB-CB 4.32Å; Q508-M544 WeakPolarHBondContact O-CB 3.38Å; Q508-M544 PolarHBondContact O-N 3.11Å
509	G	86.4	Confident	90.9	Very high	43 Å²	43	42.2 Å²	42.2	44%	0.443	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	1.4	178.2	0	0	0	0	0	115.4	W507 W535	W507-G509 PolarHBondContact O-N 2.9Å; W507-G509 VanDerWaalsContact O-N 3.13Å; G509-W535 VanDerWaalsContact O-CD1 3.28Å
510	I	92.2	Very high	90.9	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.087	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-90.1	138.2	175.3	-57.4	-52	0	0	0	110.4	W507 F528 W535 F537 M544	W507-I510 HydrophobicContact CB-CB 3.96Å; W507-I510 HydrophobicContact CB-CG1 3.91Å; W507-I510 WeakPolarHBondContact O-CB 3.41Å; W507-I510 PolarHBondContact O-N 3.28Å; I510-F528 HydrophobicContact CD1-CD2 3.63Å; I510-F528 HydrophobicContact CD1-CE2 4.22Å; I510-F528 HydrophobicContact CD1-CG 4.33Å; I510-F528 HydrophobicContact CG1-CD2 3.88Å; I510-F528 HydrophobicContact CG1-CE2 4.07Å; I510-F528 HydrophobicContact CG2-CB 4.01Å; I510-F528 HydrophobicContact CG2-CD1 3.97Å; I510-F528 HydrophobicContact CG2-CD2 3.85Å; I510-F528 HydrophobicContact CG2-CE1 4.41Å; I510-F528 HydrophobicContact CG2-CE2 4.29Å; I510-F528 HydrophobicContact CG2-CG 3.66Å; I510-W535 HydrophobicContact CD1-CB 3.65Å; I510-W535 HydrophobicContact CD1-CG 4.34Å; I510-F537 HydrophobicContact CD1-CB 4.09Å; I510-F537 HydrophobicContact CD1-CD2 3.93Å; I510-F537 HydrophobicContact CD1-CG 4.43Å; I510-F537 HydrophobicContact CG1-CD2 3.71Å; I510-F537 HydrophobicContact CG1-CE2 4.31Å; I510-F537 HydrophobicContact CG1-CG 4.44Å; I510-M544 HydrophobicContact CD1-CB 4.39Å
511	P	90.7	Very high	90.6	Very high	25 Å²	25	46.3 Å²	46.3	16%	0.162	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.9	147.7	177.9	30.2	-37.8	0	0	0	111.6	K530 W535	P511-K530 HydrophobicContact CB-CD 3.93Å; P511-K530 HydrophobicContact CG-CB 4.22Å; P511-K530 HydrophobicContact CG-CD 4.15Å; P511-W535 HydrophobicContact CB-CH2 4.38Å; P511-W535 HydrophobicContact CB-CZ2 4.2Å; P511-W535 HydrophobicContact CG-CD2 3.84Å; P511-W535 HydrophobicContact CG-CE3 3.76Å; P511-W535 HydrophobicContact CG-CH2 3.8Å; P511-W535 HydrophobicContact CG-CZ2 3.82Å; P511-W535 HydrophobicContact CG-CZ3 3.77Å
512	A	88.8	Confident	90.3	Very high	44 Å²	44	48.7 Å²	48.7	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-59.9	146.5	167.9	0	0	0	0	0	111.2	I504 K530	I504-A512 HydrophobicContact CG2-CB 4.26Å; A512-K530 PolarHBondContact O-NZ 3.23Å
513	S	88.1	Confident	90.1	Very high	24 Å²	24	45.3 Å²	45.3	17%	0.168	27%	0.267	C	S	.	.	S	Bend	trans	46.6	69	-178.6	-169.9	0	0	0	0	112.4	D467 E483 K530	D467-S513 PolarHBondContact OD2-OG 2.94Å; E483-S513 WeakPolarHBondContact O-CA 3.36Å; E483-S513 PolarHBondContact O-N 2.92Å; S513-K530 WeakPolarHBondContact O-CD 3.07Å; S513-K530 WeakPolarHBondContact O-CE 3.48Å
514	P	93.3	Very high	90	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.262	C	S	.	.			trans	-58.6	154.7	165.2	28.1	-33.3	0	0	0	109.6	T468 F481 F528 Y529	T468-P514 HydrophobicContact CG2-CG 4.38Å; T468-P514 PolarHBondContact OG1-O 3.3Å; F481-P514 HydrophobicContact CB-CG 4.14Å; F481-P514 HydrophobicContact CD1-CG 4.41Å; F481-P514 HydrophobicContact CG-CG 4.18Å; P514-F528 HydrophobicContact CB-CB 4.43Å; P514-F528 HydrophobicContact CB-CD1 3.98Å; P514-F528 HydrophobicContact CG-CD1 3.97Å; P514-F528 HydrophobicContact CG-CE1 4.49Å; P514-Y529 CarbonylContact C-O 3.55Å; P514-Y529 WeakPolarHBondContact CA-O 3.48Å
515	K	92.1	Very high	90.1	Very high	80 Å²	80	47 Å²	47	35%	0.348	27%	0.272	S	S	.	.	S	Bend	trans	-103	-6.2	175.1	-71	-64.6	-174.1	-178.3	0	112.7	T376 T468 Y529	T376-K515 WeakPolarHBondContact CA-O 3.47Å; T376-K515 PolarHBondContact OG1-O 3.25Å; T468-K515 VanDerWaalsContact OG1-C 3.22Å; K515-Y529 HydrophobicContact CB-CD1 3.92Å; K515-Y529 HydrophobicContact CB-CE1 3.97Å; K515-Y529 PolarHBondContact N-O 2.6Å
516	G	92.7	Very high	90.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	152.5	173.2	0	0	0	0	0	110.2	T468 Y529	T468-G516 PolarHBondContact OG1-N 2.96Å; G516-Y529 PolarHBondContact N-O 2.71Å; G516-Y529 PolarHBondContact O-N 2.82Å
517	A	94.3	Very high	90.6	Very high	6 Å²	6	40.3 Å²	40.3	5%	0.05	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.2	173.5	0	0	0	0	0	110.1	T468 I470 Y527 F528	T468-A517 HydrophobicContact CG2-CB 3.52Å; I470-A517 HydrophobicContact CB-CB 4.12Å; I470-A517 HydrophobicContact CD1-CB 3.97Å; I470-A517 HydrophobicContact CG2-CB 4.3Å; A517-Y527 WeakPolarHBondContact CA-O 3.49Å; A517-F528 HydrophobicContact CB-CD1 3.85Å; A517-F528 HydrophobicContact CB-CE1 3.93Å
518	F	92.9	Very high	91	Very high	7 Å²	7	39.8 Å²	39.8	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	152.5	176.9	56.2	-89.1	0	0	0	110.9	V377 M379 M384 Y527 F556	V377-F518 HydrophobicContact CG1-CD1 4.15Å; V377-F518 HydrophobicContact CG1-CE1 4.03Å; M379-F518 HydrophobicContact CB-CB 3.98Å; M379-F518 HydrophobicContact CE-CD2 4.25Å; M384-F518 HydrophobicContact CE-CD1 4.44Å; M384-F518 HydrophobicContact CE-CD2 4.28Å; M384-F518 HydrophobicContact CE-CE1 3.86Å; M384-F518 HydrophobicContact CE-CE2 3.66Å; M384-F518 HydrophobicContact CE-CZ 3.43Å; M384-F518 VanDerWaalsContact CE-CZ 3.43Å; F518-Y527 AromaticContact CD2-CD2 3.83Å; F518-Y527 HydrophobicContact CD2-CD2 3.83Å; F518-Y527 HydrophobicContact CD2-CG 4.3Å; F518-Y527 AromaticContact CE2-CD2 3.5Å; F518-Y527 HydrophobicContact CE2-CD2 3.5Å; F518-Y527 VanDerWaalsContact CE2-CD2 3.5Å; F518-Y527 HydrophobicContact CE2-CE2 4.41Å; F518-Y527 AromaticContact CE2-CG 3.73Å; F518-Y527 HydrophobicContact CE2-CG 3.73Å; F518-Y527 HydrophobicContact CZ-CD2 4.32Å; F518-Y527 HydrophobicContact CZ-CG 4.09Å; F518-Y527 PolarHBondContact N-O 2.63Å; F518-Y527 PolarHBondContact O-N 2.99Å; F518-F556 AromaticContact CE2-CE1 3.86Å; F518-F556 HydrophobicContact CE2-CE1 3.86Å; F518-F556 AromaticContact CE2-CZ 3.9Å; F518-F556 HydrophobicContact CE2-CZ 3.9Å; F518-F556 AromaticContact CZ-CE1 3.88Å; F518-F556 HydrophobicContact CZ-CE1 3.88Å; F518-F556 HydrophobicContact CZ-CE2 4.29Å; F518-F556 AromaticContact CZ-CZ 3.74Å; F518-F556 HydrophobicContact CZ-CZ 3.74Å
519	L	91.9	Very high	91.3	Very high	27 Å²	27	33.9 Å²	33.9	14%	0.141	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	154	179.1	-74	167.3	0	0	0	111.5	I470 W471 E473 A523 T526	I470-L519 HydrophobicContact CD1-CG 4Å; W471-L519 WeakPolarHBondContact O-CD1 3.25Å; E473-L519 HydrophobicContact CB-CD1 3.92Å; L519-A523 HydrophobicContact CD1-CB 4.47Å; L519-T526 WeakPolarHBondContact CD2-OG1 3.16Å
520	S	90.1	Very high	91.6	Very high	16 Å²	16	35.5 Å²	35.5	11%	0.112	19%	0.193	C	C	.	.			trans	-66.9	159.6	161	57.7	0	0	0	0	110.7	D522 A523 A524 Y525	S520-D522 WeakPolarHBondContact CB-OD1 3.21Å; S520-D522 PolarHBondContact O-N 2.9Å; S520-D522 VanDerWaalsContact O-N 3.11Å; S520-D522 PolarHBondContact OG-OD1 3.15Å; S520-A523 WeakPolarHBondContact O-CA 3.49Å; S520-A523 PolarHBondContact O-N 2.97Å; S520-A524 PolarHBondContact OG-N 3.47Å; S520-Y525 PolarHBondContact N-O 2.91Å; S520-Y525 PolarHBondContact OG-N 3Å; S520-Y525 PolarHBondContact OG-O 3.25Å
521	N	84.3	Confident	91.4	Very high	166 Å²	166	35.9 Å²	35.9	89%	0.888	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	-178.5	-64.9	-7.3	0	0	0	113.9
522	D	87.3	Confident	91.4	Very high	111 Å²	111	38.1 Å²	38.1	59%	0.594	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.2	177.4	60.1	-12.2	0	0	0	113	S520 A524	S520-D522 WeakPolarHBondContact CB-OD1 3.21Å; S520-D522 PolarHBondContact O-N 2.9Å; S520-D522 VanDerWaalsContact O-N 3.11Å; S520-D522 PolarHBondContact OG-OD1 3.15Å; D522-A524 PolarHBondContact O-N 2.9Å; D522-A524 PolarHBondContact OD1-N 3.43Å; D522-A524 WeakPolarHBondContact OD2-CB 3.39Å
523	A	87.6	Confident	91.6	Very high	11 Å²	11	41 Å²	41	9%	0.091	22%	0.219	C	C	.	.	S	Bend	trans	53.2	12.7	-174.5	0	0	0	0	0	115.5	E473 P474 L519 S520 Y525 N539	E473-A523 HydrophobicContact CB-CB 4.23Å; E473-A523 HydrophobicContact CG-CB 4.5Å; P474-A523 HydrophobicContact CG-CB 4.46Å; L519-A523 HydrophobicContact CD1-CB 4.47Å; S520-A523 WeakPolarHBondContact O-CA 3.49Å; S520-A523 PolarHBondContact O-N 2.97Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; A523-N539 PolarHBondContact O-ND2 2.7Å
524	A	91.6	Very high	92	Very high	34 Å²	34	40.3 Å²	40.3	28%	0.281	21%	0.213	S	C	.	.	S	Bend	trans	-72.2	-28.5	178.7	0	0	0	0	0	112.3	S520 D522 N539	S520-A524 PolarHBondContact OG-N 3.47Å; D522-A524 PolarHBondContact O-N 2.9Å; D522-A524 PolarHBondContact OD1-N 3.43Å; D522-A524 WeakPolarHBondContact OD2-CB 3.39Å; A524-N539 WeakPolarHBondContact O-CB 3.4Å; A524-N539 PolarHBondContact O-N 2.84Å; A524-N539 VanDerWaalsContact O-N 3.15Å
525	Y	93.3	Very high	92.1	Very high	61 Å²	61	41.9 Å²	41.9	24%	0.239	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.1	-178.3	-56.1	-80.1	0	0	0	112.1	S520 A523 K536 F537 D538 E545	S520-Y525 PolarHBondContact N-O 2.91Å; S520-Y525 PolarHBondContact OG-N 3Å; S520-Y525 PolarHBondContact OG-O 3.25Å; A523-Y525 VanDerWaalsContact C-N 3.33Å; Y525-K536 HydrophobicContact CD1-CD 4.2Å; Y525-K536 HydrophobicContact CD1-CG 4Å; Y525-K536 VanDerWaalsContact CD2-CE 3.46Å; Y525-K536 VanDerWaalsContact CE1-CE 3.49Å; Y525-K536 HydrophobicContact CG-CD 4.35Å; Y525-K536 HydrophobicContact CG-CG 4.21Å; Y525-F537 CarbonylContact C-O 3.53Å; Y525-F537 WeakPolarHBondContact CA-O 3.46Å; Y525-D538 HydrophobicContact CD1-CB 4.33Å; Y525-D538 HydrophobicContact CE1-CB 4.28Å; Y525-E545 HydrophobicContact CE1-CG 4.12Å
526	T	94.2	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.1	168.7	-53	0	0	0	0	109.4	I470 W472 L519 F528 F537 N539	I470-T526 HydrophobicContact CD1-CG2 3.86Å; W472-T526 PolarHBondContact NE1-OG1 3.39Å; L519-T526 WeakPolarHBondContact CD2-OG1 3.16Å; T526-F528 HydrophobicContact CG2-CD2 4.16Å; T526-F528 HydrophobicContact CG2-CE1 4.47Å; T526-F528 HydrophobicContact CG2-CE2 3.58Å; T526-F528 HydrophobicContact CG2-CZ 3.76Å; T526-F537 PolarHBondContact N-O 3.43Å; T526-F537 WeakPolarHBondContact O-CA 3.49Å; T526-F537 VanDerWaalsContact O-CB 3.25Å; T526-F537 WeakPolarHBondContact O-CB 3.34Å; T526-F537 PolarHBondContact O-N 3.01Å; T526-N539 WeakPolarHBondContact CB-OD1 3.47Å; T526-N539 PolarHBondContact N-OD1 3.46Å; T526-N539 PolarHBondContact OG1-ND2 2.8Å; T526-N539 PolarHBondContact OG1-OD1 2.84Å
527	Y	94.6	Very high	92.3	Very high	38 Å²	38	39.7 Å²	39.7	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	125.5	174.5	-61.6	-79.1	0	0	0	109.8	A517 F518 Y534 W535 K536 F556	A517-Y527 WeakPolarHBondContact CA-O 3.49Å; F518-Y527 AromaticContact CD2-CD2 3.83Å; F518-Y527 HydrophobicContact CD2-CD2 3.83Å; F518-Y527 HydrophobicContact CD2-CG 4.3Å; F518-Y527 AromaticContact CE2-CD2 3.5Å; F518-Y527 HydrophobicContact CE2-CD2 3.5Å; F518-Y527 VanDerWaalsContact CE2-CD2 3.5Å; F518-Y527 HydrophobicContact CE2-CE2 4.41Å; F518-Y527 AromaticContact CE2-CG 3.73Å; F518-Y527 HydrophobicContact CE2-CG 3.73Å; F518-Y527 HydrophobicContact CZ-CD2 4.32Å; F518-Y527 HydrophobicContact CZ-CG 4.09Å; F518-Y527 PolarHBondContact N-O 2.63Å; F518-Y527 PolarHBondContact O-N 2.99Å; Y527-Y534 AromaticContact CD1-CD2 3.77Å; Y527-Y534 HydrophobicContact CD1-CD2 3.77Å; Y527-Y534 AromaticContact CD1-CE2 3.82Å; Y527-Y534 HydrophobicContact CD1-CE2 3.82Å; Y527-Y534 HydrophobicContact CE1-CD2 4.45Å; Y527-Y534 HydrophobicContact CE1-CE2 4.03Å; Y527-W535 CarbonylContact C-O 2.93Å; Y527-W535 WeakPolarHBondContact CA-O 3.3Å; Y527-K536 HydrophobicContact CD1-CB 4.05Å; Y527-K536 HydrophobicContact CD1-CG 4.13Å; Y527-K536 HydrophobicContact CE1-CB 3.87Å; Y527-K536 HydrophobicContact CE1-CD 3.85Å; Y527-K536 HydrophobicContact CE1-CG 3.59Å; Y527-F556 HydrophobicContact CD1-CZ 4.49Å
528	F	95.4	Very high	92.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.8	172.8	-68.5	-87.2	0	0	0	110	F481 W507 I510 P514 A517 T526 Y534 W535 F537	F481-F528 HydrophobicContact CE1-CE1 4.1Å; F481-F528 AromaticContact CE2-CE1 3.98Å; F481-F528 HydrophobicContact CE2-CE1 3.98Å; F481-F528 AromaticContact CZ-CE1 3.67Å; F481-F528 HydrophobicContact CZ-CE1 3.67Å; F481-F528 AromaticContact CZ-CZ 3.99Å; F481-F528 HydrophobicContact CZ-CZ 3.99Å; W507-F528 HydrophobicContact CD2-CZ 4.27Å; W507-F528 AromaticContact CE3-CE2 3.91Å; W507-F528 HydrophobicContact CE3-CE2 3.91Å; W507-F528 AromaticContact CE3-CZ 3.72Å; W507-F528 HydrophobicContact CE3-CZ 3.72Å; W507-F528 HydrophobicContact CH2-CZ 4.48Å; W507-F528 HydrophobicContact CZ3-CE2 4.16Å; W507-F528 AromaticContact CZ3-CZ 3.84Å; W507-F528 HydrophobicContact CZ3-CZ 3.84Å; I510-F528 HydrophobicContact CD1-CD2 3.63Å; I510-F528 HydrophobicContact CD1-CE2 4.22Å; I510-F528 HydrophobicContact CD1-CG 4.33Å; I510-F528 HydrophobicContact CG1-CD2 3.88Å; I510-F528 HydrophobicContact CG1-CE2 4.07Å; I510-F528 HydrophobicContact CG2-CB 4.01Å; I510-F528 HydrophobicContact CG2-CD1 3.97Å; I510-F528 HydrophobicContact CG2-CD2 3.85Å; I510-F528 HydrophobicContact CG2-CE1 4.41Å; I510-F528 HydrophobicContact CG2-CE2 4.29Å; I510-F528 HydrophobicContact CG2-CG 3.66Å; P514-F528 HydrophobicContact CB-CB 4.43Å; P514-F528 HydrophobicContact CB-CD1 3.98Å; P514-F528 HydrophobicContact CG-CD1 3.97Å; P514-F528 HydrophobicContact CG-CE1 4.49Å; A517-F528 HydrophobicContact CB-CD1 3.85Å; A517-F528 HydrophobicContact CB-CE1 3.93Å; T526-F528 HydrophobicContact CG2-CD2 4.16Å; T526-F528 HydrophobicContact CG2-CE1 4.47Å; T526-F528 HydrophobicContact CG2-CE2 3.58Å; T526-F528 HydrophobicContact CG2-CZ 3.76Å; F528-Y534 CarbonylContact O-C 3.6Å; F528-Y534 WeakPolarHBondContact O-CA 3.42Å; F528-Y534 WeakPolarHBondContact O-CB 3.39Å; F528-W535 HydrophobicContact CB-CB 4.47Å; F528-W535 PolarHBondContact N-O 2.99Å; F528-W535 PolarHBondContact O-N 2.73Å; F528-F537 HydrophobicContact CD2-CB 4.15Å; F528-F537 HydrophobicContact CE2-CB 3.93Å; F528-F537 HydrophobicContact CE2-CG 4.24Å
529	Y	94.6	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.8	-179.1	165.5	-110.4	0	0	0	111.4	F374 V377 P514 K515 G516 G531 K533 I552	F374-Y529 HydrophobicContact CB-CE1 3.89Å; F374-Y529 HydrophobicContact CD2-CE1 4.11Å; F374-Y529 HydrophobicContact CD2-CE2 4.18Å; F374-Y529 AromaticContact CD2-CZ 3.62Å; F374-Y529 WeakPolarHBondContact CD2-OH 3.36Å; F374-Y529 HydrophobicContact CG-CE1 4.49Å; F374-Y529 PolarHBondContact N-OH 3.34Å; V377-Y529 HydrophobicContact CB-CD1 4.44Å; V377-Y529 HydrophobicContact CG2-CD1 3.79Å; V377-Y529 HydrophobicContact CG2-CE1 4.05Å; V377-Y529 HydrophobicContact CG2-CG 4.25Å; P514-Y529 CarbonylContact C-O 3.55Å; P514-Y529 WeakPolarHBondContact CA-O 3.48Å; K515-Y529 HydrophobicContact CB-CD1 3.92Å; K515-Y529 HydrophobicContact CB-CE1 3.97Å; K515-Y529 PolarHBondContact N-O 2.6Å; G516-Y529 PolarHBondContact N-O 2.71Å; G516-Y529 PolarHBondContact O-N 2.82Å; Y529-G531 WeakPolarHBondContact CE2-O 3.43Å; Y529-G531 PolarHBondContact OH-O 2.78Å; Y529-K533 WeakPolarHBondContact CD2-O 3.47Å; Y529-I552 HydrophobicContact CD2-CB 4.27Å; Y529-I552 HydrophobicContact CD2-CD1 3.46Å; Y529-I552 VanDerWaalsContact CD2-CD1 3.46Å; Y529-I552 HydrophobicContact CD2-CG1 4.44Å; Y529-I552 HydrophobicContact CD2-CG2 3.96Å; Y529-I552 HydrophobicContact CE2-CB 4.46Å; Y529-I552 HydrophobicContact CE2-CD1 4.06Å; Y529-I552 HydrophobicContact CE2-CG2 3.66Å; Y529-I552 HydrophobicContact CG-CD1 3.95Å
530	K	92.9	Very high	92	Very high	78 Å²	78	47.6 Å²	47.6	34%	0.339	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	125.6	169.8	-167.7	177.8	-177.5	176.1	0	111.4	P511 A512 S513 T532 K533 W535	P511-K530 HydrophobicContact CB-CD 3.93Å; P511-K530 HydrophobicContact CG-CB 4.22Å; P511-K530 HydrophobicContact CG-CD 4.15Å; A512-K530 PolarHBondContact O-NZ 3.23Å; S513-K530 WeakPolarHBondContact O-CD 3.07Å; S513-K530 WeakPolarHBondContact O-CE 3.48Å; K530-T532 PolarHBondContact O-N 3.03Å; K530-K533 PolarHBondContact N-O 2.63Å; K530-K533 PolarHBondContact O-N 2.72Å; K530-K533 VanDerWaalsContact O-N 3.15Å; K530-W535 HydrophobicContact CB-CH2 4Å; K530-W535 HydrophobicContact CB-CZ3 3.64Å
531	G	89.5	Confident	92	Very high	25 Å²	25	53.7 Å²	53.7	26%	0.258	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	-112	177.6	0	0	0	0	0	112.3	Y529	Y529-G531 WeakPolarHBondContact CE2-O 3.43Å; Y529-G531 PolarHBondContact OH-O 2.78Å
532	T	90.2	Very high	92.2	Very high	72 Å²	72	50 Å²	50	44%	0.442	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	6.8	174.8	55.2	0	0	0	0	112.8	K530 S551 I552 L553	K530-T532 PolarHBondContact O-N 3.03Å; T532-S551 WeakPolarHBondContact O-CA 3.43Å; T532-I552 PolarHBondContact O-N 3.19Å; T532-I552 VanDerWaalsContact O-N 3.16Å; T532-L553 HydrophobicContact CG2-CD1 4.34Å
533	K	93.4	Very high	92.4	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153.4	-167.8	-70.9	179.8	-176.5	-179.1	0	111.7	Y529 K530 W535 P549 K550	Y529-K533 WeakPolarHBondContact CD2-O 3.47Å; K530-K533 PolarHBondContact N-O 2.63Å; K530-K533 PolarHBondContact O-N 2.72Å; K530-K533 VanDerWaalsContact O-N 3.15Å; K533-W535 HydrophobicContact CB-CH2 3.62Å; K533-W535 HydrophobicContact CB-CZ2 4.33Å; K533-W535 HydrophobicContact CB-CZ3 3.74Å; K533-W535 WeakPolarHBondContact O-CZ3 3.22Å; K533-P549 HydrophobicContact CB-CB 3.98Å; K533-P549 HydrophobicContact CD-CB 4.08Å; K533-P549 HydrophobicContact CD-CG 3.94Å; K533-P549 HydrophobicContact CG-CB 4.35Å; K533-K550 CarbonylContact C-O 3.55Å; K533-K550 VanDerWaalsContact CA-O 3.23Å; K533-K550 WeakPolarHBondContact CA-O 3.37Å
534	Y	95	Very high	92.7	Very high	10 Å²	10	52.2 Å²	52.2	4%	0.039	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151	169.3	78.9	-80	0	0	0	111.4	Y527 F528 Y548 P549 K550 I552 D555 F556	Y527-Y534 AromaticContact CD1-CD2 3.77Å; Y527-Y534 HydrophobicContact CD1-CD2 3.77Å; Y527-Y534 AromaticContact CD1-CE2 3.82Å; Y527-Y534 HydrophobicContact CD1-CE2 3.82Å; Y527-Y534 HydrophobicContact CE1-CD2 4.45Å; Y527-Y534 HydrophobicContact CE1-CE2 4.03Å; F528-Y534 CarbonylContact O-C 3.6Å; F528-Y534 WeakPolarHBondContact O-CA 3.42Å; F528-Y534 WeakPolarHBondContact O-CB 3.39Å; Y534-Y548 HydrophobicContact CD2-CD1 4.38Å; Y534-Y548 HydrophobicContact CD2-CE1 4.11Å; Y534-Y548 HydrophobicContact CE2-CD1 4.03Å; Y534-Y548 AromaticContact CE2-CE1 3.34Å; Y534-Y548 HydrophobicContact CE2-CE1 3.34Å; Y534-Y548 AromaticContact CZ-CE1 3.61Å; Y534-P549 VanDerWaalsContact O-CA 3.24Å; Y534-P549 WeakPolarHBondContact O-CA 3.36Å; Y534-P549 WeakPolarHBondContact O-CB 3.42Å; Y534-K550 HydrophobicContact CD1-CB 4.1Å; Y534-K550 VanDerWaalsContact CD1-O 3.23Å; Y534-K550 WeakPolarHBondContact CD1-O 3.21Å; Y534-K550 HydrophobicContact CE1-CB 3.4Å; Y534-K550 VanDerWaalsContact CE1-CB 3.4Å; Y534-K550 PolarHBondContact N-O 3Å; Y534-K550 PolarHBondContact O-N 3.08Å; Y534-I552 HydrophobicContact CD1-CB 4.06Å; Y534-D555 HydrophobicContact CE1-CB 3.87Å; Y534-D555 WeakPolarHBondContact CE1-OD2 3.48Å; Y534-D555 PolarHBondContact OH-OD2 3.28Å; Y534-F556 HydrophobicContact CD1-CD2 4.32Å; Y534-F556 HydrophobicContact CD1-CE2 4.06Å; Y534-F556 AromaticContact CD2-CE2 3.8Å; Y534-F556 HydrophobicContact CD2-CE2 3.8Å; Y534-F556 HydrophobicContact CE1-CD2 4.21Å; Y534-F556 AromaticContact CE1-CE2 3.9Å; Y534-F556 HydrophobicContact CE1-CE2 3.9Å; Y534-F556 AromaticContact CE2-CE2 3.6Å; Y534-F556 HydrophobicContact CE2-CE2 3.6Å; Y534-F556 HydrophobicContact CE2-CZ 4.26Å; Y534-F556 HydrophobicContact CG-CE2 4.02Å; Y534-F556 AromaticContact CZ-CE2 3.68Å
535	W	95.5	Very high	92.8	Very high	32 Å²	32	52.3 Å²	52.3	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.6	-179.7	-67.3	-107.5	0	0	0	108.7	G509 I510 P511 Y527 F528 K530 K533 P549	G509-W535 VanDerWaalsContact O-CD1 3.28Å; I510-W535 HydrophobicContact CD1-CB 3.65Å; I510-W535 HydrophobicContact CD1-CG 4.34Å; P511-W535 HydrophobicContact CB-CH2 4.38Å; P511-W535 HydrophobicContact CB-CZ2 4.2Å; P511-W535 HydrophobicContact CG-CD2 3.84Å; P511-W535 HydrophobicContact CG-CE3 3.76Å; P511-W535 HydrophobicContact CG-CH2 3.8Å; P511-W535 HydrophobicContact CG-CZ2 3.82Å; P511-W535 HydrophobicContact CG-CZ3 3.77Å; Y527-W535 CarbonylContact C-O 2.93Å; Y527-W535 WeakPolarHBondContact CA-O 3.3Å; F528-W535 HydrophobicContact CB-CB 4.47Å; F528-W535 PolarHBondContact N-O 2.99Å; F528-W535 PolarHBondContact O-N 2.73Å; K530-W535 HydrophobicContact CB-CH2 4Å; K530-W535 HydrophobicContact CB-CZ3 3.64Å; K533-W535 HydrophobicContact CB-CH2 3.62Å; K533-W535 HydrophobicContact CB-CZ2 4.33Å; K533-W535 HydrophobicContact CB-CZ3 3.74Å; K533-W535 WeakPolarHBondContact O-CZ3 3.22Å; W535-P549 HydrophobicContact CD2-CB 3.9Å; W535-P549 HydrophobicContact CG-CB 4.22Å; W535-P549 HydrophobicContact CH2-CB 4.42Å; W535-P549 HydrophobicContact CZ2-CB 3.84Å; W535-P549 HydrophobicContact CZ2-CG 3.97Å
536	K	95.3	Very high	92.7	Very high	34 Å²	34	54.3 Å²	54.3	15%	0.148	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118.1	174.1	-175.4	178.1	-179.5	-173.4	0	108.8	Y525 Y527 M544 E545 Y548	Y525-K536 HydrophobicContact CD1-CD 4.2Å; Y525-K536 HydrophobicContact CD1-CG 4Å; Y525-K536 VanDerWaalsContact CD2-CE 3.46Å; Y525-K536 VanDerWaalsContact CE1-CE 3.49Å; Y525-K536 HydrophobicContact CG-CD 4.35Å; Y525-K536 HydrophobicContact CG-CG 4.21Å; Y527-K536 HydrophobicContact CD1-CB 4.05Å; Y527-K536 HydrophobicContact CD1-CG 4.13Å; Y527-K536 HydrophobicContact CE1-CB 3.87Å; Y527-K536 HydrophobicContact CE1-CD 3.85Å; Y527-K536 HydrophobicContact CE1-CG 3.59Å; K536-M544 WeakPolarHBondContact O-CA 3.43Å; K536-E545 HydrophobicContact CB-CB 4.49Å; K536-E545 HydrophobicContact CG-CB 4.49Å; K536-E545 PolarHBondContact O-N 3.46Å; K536-Y548 HydrophobicContact CB-CD1 3.77Å; K536-Y548 HydrophobicContact CB-CD2 3.75Å; K536-Y548 HydrophobicContact CB-CE1 3.58Å; K536-Y548 HydrophobicContact CB-CE2 3.55Å; K536-Y548 HydrophobicContact CB-CG 3.85Å; K536-Y548 VanDerWaalsContact CB-CZ 3.46Å; K536-Y548 HydrophobicContact CD-CE2 3.74Å; K536-Y548 WeakPolarHBondContact CD-OH 3.49Å; K536-Y548 HydrophobicContact CG-CE2 4.24Å
537	F	94.6	Very high	92.4	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.7	178.9	-171	-100.9	0	0	0	109.7	W507 I510 Y525 T526 F528 L542	W507-F537 HydrophobicContact CB-CE2 4.23Å; W507-F537 HydrophobicContact CD2-CZ 4.34Å; W507-F537 AromaticContact CE3-CD1 3.8Å; W507-F537 HydrophobicContact CE3-CD1 3.8Å; W507-F537 HydrophobicContact CE3-CD2 4.3Å; W507-F537 AromaticContact CE3-CE1 3.44Å; W507-F537 HydrophobicContact CE3-CE1 3.44Å; W507-F537 VanDerWaalsContact CE3-CE1 3.44Å; W507-F537 AromaticContact CE3-CE2 3.98Å; W507-F537 HydrophobicContact CE3-CE2 3.98Å; W507-F537 HydrophobicContact CE3-CG 4.21Å; W507-F537 AromaticContact CE3-CZ 3.51Å; W507-F537 HydrophobicContact CE3-CZ 3.51Å; W507-F537 AromaticContact CZ3-CD1 3.8Å; W507-F537 HydrophobicContact CZ3-CD1 3.8Å; W507-F537 AromaticContact CZ3-CE1 3.52Å; W507-F537 HydrophobicContact CZ3-CE1 3.52Å; W507-F537 HydrophobicContact CZ3-CZ 4.08Å; I510-F537 HydrophobicContact CD1-CB 4.09Å; I510-F537 HydrophobicContact CD1-CD2 3.93Å; I510-F537 HydrophobicContact CD1-CG 4.43Å; I510-F537 HydrophobicContact CG1-CD2 3.71Å; I510-F537 HydrophobicContact CG1-CE2 4.31Å; I510-F537 HydrophobicContact CG1-CG 4.44Å; Y525-F537 CarbonylContact C-O 3.53Å; Y525-F537 WeakPolarHBondContact CA-O 3.46Å; T526-F537 PolarHBondContact N-O 3.43Å; T526-F537 WeakPolarHBondContact O-CA 3.49Å; T526-F537 VanDerWaalsContact O-CB 3.25Å; T526-F537 WeakPolarHBondContact O-CB 3.34Å; T526-F537 PolarHBondContact O-N 3.01Å; F528-F537 HydrophobicContact CD2-CB 4.15Å; F528-F537 HydrophobicContact CE2-CB 3.93Å; F528-F537 HydrophobicContact CE2-CG 4.24Å; F537-L542 HydrophobicContact CE1-CD2 4.05Å; F537-L542 VanDerWaalsContact CE2-C 3.45Å; F537-L542 HydrophobicContact CZ-CB 4.11Å; F537-L542 HydrophobicContact CZ-CD2 4.21Å
538	D	93.1	Very high	92.3	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.059	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.3	173.4	-176.6	-39.9	0	0	0	109	Y525 E540 R541 L542 R543 E545	Y525-D538 HydrophobicContact CD1-CB 4.33Å; Y525-D538 HydrophobicContact CE1-CB 4.28Å; D538-E540 VanDerWaalsContact C-N 3.31Å; D538-E540 PolarHBondContact O-N 3.02Å; D538-E540 PolarHBondContact OD1-N 3.26Å; D538-R541 HydrophobicContact CB-CB 4.16Å; D538-R541 PolarHBondContact OD1-N 3.14Å; D538-R541 WeakPolarHBondContact OD2-CD 3.1Å; D538-R541 IonicContact OD2-NE 3.54Å; D538-L542 WeakPolarHBondContact O-CA 3.39Å; D538-L542 PolarHBondContact O-N 3.24Å; D538-R543 PolarHBondContact N-O 3.49Å; D538-E545 HydrophobicContact CB-CG 4.2Å
539	N	90.8	Very high	92.2	Very high	16 Å²	16	59.8 Å²	59.8	9%	0.086	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.1	-175	-67.9	-18.5	0	0	0	112.6	W472 A523 A524 T526 L542	W472-N539 HydrophobicContact CZ2-CB 3.96Å; A523-N539 PolarHBondContact O-ND2 2.7Å; A524-N539 WeakPolarHBondContact O-CB 3.4Å; A524-N539 PolarHBondContact O-N 2.84Å; A524-N539 VanDerWaalsContact O-N 3.15Å; T526-N539 WeakPolarHBondContact CB-OD1 3.47Å; T526-N539 PolarHBondContact N-OD1 3.46Å; T526-N539 PolarHBondContact OG1-ND2 2.8Å; T526-N539 PolarHBondContact OG1-OD1 2.84Å; N539-L542 WeakPolarHBondContact O-CD2 3.46Å
540	E	88.9	Confident	92.1	Very high	179 Å²	179	63.3 Å²	63.3	84%	0.836	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-45.5	177.7	-64.2	-170.7	161.1	0	0	111.5	D538 L542	D538-E540 VanDerWaalsContact C-N 3.31Å; D538-E540 PolarHBondContact O-N 3.02Å; D538-E540 PolarHBondContact OD1-N 3.26Å; E540-L542 VanDerWaalsContact C-N 3.3Å
541	R	89.7	Confident	92.1	Very high	145 Å²	145	61.5 Å²	61.5	55%	0.547	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.2	-178.4	-62.5	-178.3	174.8	161	-2.2	113.5	D538 R543 E545	D538-R541 HydrophobicContact CB-CB 4.16Å; D538-R541 PolarHBondContact OD1-N 3.14Å; D538-R541 WeakPolarHBondContact OD2-CD 3.1Å; D538-R541 IonicContact OD2-NE 3.54Å; R541-R543 HydrophobicContact CB-CG 3.94Å; R541-R543 PolarHBondContact O-N 3.46Å; R541-E545 IonicContact NH1-OE1 2.6Å
542	L	89.2	Confident	92.2	Very high	89 Å²	89	60.3 Å²	60.3	47%	0.466	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	40.5	-177.4	-60.7	176.2	0	0	0	113.2	W472 F537 D538 N539 E540	W472-L542 HydrophobicContact CH2-CD2 4.21Å; F537-L542 HydrophobicContact CE1-CD2 4.05Å; F537-L542 VanDerWaalsContact CE2-C 3.45Å; F537-L542 HydrophobicContact CZ-CB 4.11Å; F537-L542 HydrophobicContact CZ-CD2 4.21Å; D538-L542 WeakPolarHBondContact O-CA 3.39Å; D538-L542 PolarHBondContact O-N 3.24Å; N539-L542 WeakPolarHBondContact O-CD2 3.46Å; E540-L542 VanDerWaalsContact C-N 3.3Å
543	R	92	Very high	92.2	Very high	116 Å²	116	58 Å²	58	44%	0.438	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	155.9	178.5	70.6	-176.4	-173.7	-179.1	-0.8	111.5	Q508 D538 R541	Q508-R543 HydrophobicContact CB-CB 4.32Å; D538-R543 PolarHBondContact N-O 3.49Å; R541-R543 HydrophobicContact CB-CG 3.94Å; R541-R543 PolarHBondContact O-N 3.46Å
544	M	93.7	Very high	92	Very high	52 Å²	52	59.7 Å²	59.7	26%	0.256	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	136.1	171.9	179.4	-96.5	-65.6	0	0	111.5	Q508 I510 K536	Q508-M544 WeakPolarHBondContact O-CB 3.38Å; Q508-M544 PolarHBondContact O-N 3.11Å; I510-M544 HydrophobicContact CD1-CB 4.39Å; K536-M544 WeakPolarHBondContact O-CA 3.43Å
545	E	93.9	Very high	91.6	Very high	36 Å²	36	61.1 Å²	61.1	17%	0.168	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.2	139.7	179.2	-87.3	-70.7	98.9	0	0	111.7	Y525 K536 D538 R541 Y548	Y525-E545 HydrophobicContact CE1-CG 4.12Å; K536-E545 HydrophobicContact CB-CB 4.49Å; K536-E545 HydrophobicContact CG-CB 4.49Å; K536-E545 PolarHBondContact O-N 3.46Å; D538-E545 HydrophobicContact CB-CG 4.2Å; R541-E545 IonicContact NH1-OE1 2.6Å; E545-Y548 HydrophobicContact CB-CD2 4.01Å; E545-Y548 HydrophobicContact CB-CE2 4.23Å; E545-Y548 WeakPolarHBondContact O-CD2 3.31Å; E545-Y548 PolarHBondContact O-N 2.93Å
546	P	90.6	Very high	91.3	Very high	103 Å²	103	60.9 Å²	60.9	67%	0.669	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	141.5	177.1	-24.1	33.6	0	0	0	112.9
547	G	88.5	Confident	91	Very high	61 Å²	61	59.6 Å²	59.6	63%	0.629	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	10.7	180	0	0	0	0	0	115	K550	G547-K550 VanDerWaalsContact O-CE 3.31Å; G547-K550 WeakPolarHBondContact O-CE 3.46Å
548	Y	91.4	Very high	90.4	Very high	37 Å²	37	61.8 Å²	61.8	15%	0.145	32%	0.322	C	S	.	.			trans	-108.8	152.1	168.6	-71.4	-90	0	0	0	110.5	Y534 K536 E545 K550	Y534-Y548 HydrophobicContact CD2-CD1 4.38Å; Y534-Y548 HydrophobicContact CD2-CE1 4.11Å; Y534-Y548 HydrophobicContact CE2-CD1 4.03Å; Y534-Y548 AromaticContact CE2-CE1 3.34Å; Y534-Y548 HydrophobicContact CE2-CE1 3.34Å; Y534-Y548 AromaticContact CZ-CE1 3.61Å; K536-Y548 HydrophobicContact CB-CD1 3.77Å; K536-Y548 HydrophobicContact CB-CD2 3.75Å; K536-Y548 HydrophobicContact CB-CE1 3.58Å; K536-Y548 HydrophobicContact CB-CE2 3.55Å; K536-Y548 HydrophobicContact CB-CG 3.85Å; K536-Y548 VanDerWaalsContact CB-CZ 3.46Å; K536-Y548 HydrophobicContact CD-CE2 3.74Å; K536-Y548 WeakPolarHBondContact CD-OH 3.49Å; K536-Y548 HydrophobicContact CG-CE2 4.24Å; E545-Y548 HydrophobicContact CB-CD2 4.01Å; E545-Y548 HydrophobicContact CB-CE2 4.23Å; E545-Y548 WeakPolarHBondContact O-CD2 3.31Å; E545-Y548 PolarHBondContact O-N 2.93Å; Y548-K550 HydrophobicContact CD1-CB 4.17Å; Y548-K550 HydrophobicContact CD1-CD 4.17Å; Y548-K550 HydrophobicContact CD1-CG 3.92Å; Y548-K550 HydrophobicContact CE1-CB 4.16Å; Y548-K550 HydrophobicContact CE1-CD 3.65Å; Y548-K550 HydrophobicContact CE1-CG 3.9Å
549	P	92.9	Very high	90.1	Very high	54 Å²	54	62.1 Å²	62.1	35%	0.351	33%	0.325	S	S	.	.			cis	-77.9	152.9	8.5	27.6	-33	0	0	0	116.1	K533 Y534 W535	K533-P549 HydrophobicContact CB-CB 3.98Å; K533-P549 HydrophobicContact CD-CB 4.08Å; K533-P549 HydrophobicContact CD-CG 3.94Å; K533-P549 HydrophobicContact CG-CB 4.35Å; Y534-P549 VanDerWaalsContact O-CA 3.24Å; Y534-P549 WeakPolarHBondContact O-CA 3.36Å; Y534-P549 WeakPolarHBondContact O-CB 3.42Å; W535-P549 HydrophobicContact CD2-CB 3.9Å; W535-P549 HydrophobicContact CG-CB 4.22Å; W535-P549 HydrophobicContact CH2-CB 4.42Å; W535-P549 HydrophobicContact CZ2-CB 3.84Å; W535-P549 HydrophobicContact CZ2-CG 3.97Å
550	K	93.3	Very high	89.3	Confident	75 Å²	75	70.1 Å²	70.1	33%	0.326	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	168.2	172.9	-69.3	-177.4	-174.1	171.4	0	111.4	K533 Y534 G547 Y548	K533-K550 CarbonylContact C-O 3.55Å; K533-K550 VanDerWaalsContact CA-O 3.23Å; K533-K550 WeakPolarHBondContact CA-O 3.37Å; Y534-K550 HydrophobicContact CD1-CB 4.1Å; Y534-K550 VanDerWaalsContact CD1-O 3.23Å; Y534-K550 WeakPolarHBondContact CD1-O 3.21Å; Y534-K550 HydrophobicContact CE1-CB 3.4Å; Y534-K550 VanDerWaalsContact CE1-CB 3.4Å; Y534-K550 PolarHBondContact N-O 3Å; Y534-K550 PolarHBondContact O-N 3.08Å; G547-K550 VanDerWaalsContact O-CE 3.31Å; G547-K550 WeakPolarHBondContact O-CE 3.46Å; Y548-K550 HydrophobicContact CD1-CB 4.17Å; Y548-K550 HydrophobicContact CD1-CD 4.17Å; Y548-K550 HydrophobicContact CD1-CG 3.92Å; Y548-K550 HydrophobicContact CE1-CB 4.16Å; Y548-K550 HydrophobicContact CE1-CD 3.65Å; Y548-K550 HydrophobicContact CE1-CG 3.9Å
551	S	92.7	Very high	87.7	Confident	40 Å²	40	69.2 Å²	69.2	28%	0.28	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	121	-179.9	176.6	0	0	0	0	111.1	T532 L553 R554 D555	T532-S551 WeakPolarHBondContact O-CA 3.43Å; S551-L553 VanDerWaalsContact C-N 3.25Å; S551-L553 PolarHBondContact O-N 3.06Å; S551-L553 PolarHBondContact OG-N 2.97Å; S551-R554 PolarHBondContact OG-N 2.96Å; S551-D555 PolarHBondContact O-N 2.74Å
552	I	91.6	Very high	85.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-31.1	176.6	-162.8	172.3	0	0	0	111	F374 V377 Y529 T532 Y534 R554 F556 M557	F374-I552 HydrophobicContact CE2-CG2 4.29Å; V377-I552 HydrophobicContact CG2-CD1 4.49Å; Y529-I552 HydrophobicContact CD2-CB 4.27Å; Y529-I552 HydrophobicContact CD2-CD1 3.46Å; Y529-I552 VanDerWaalsContact CD2-CD1 3.46Å; Y529-I552 HydrophobicContact CD2-CG1 4.44Å; Y529-I552 HydrophobicContact CD2-CG2 3.96Å; Y529-I552 HydrophobicContact CE2-CB 4.46Å; Y529-I552 HydrophobicContact CE2-CD1 4.06Å; Y529-I552 HydrophobicContact CE2-CG2 3.66Å; Y529-I552 HydrophobicContact CG-CD1 3.95Å; T532-I552 PolarHBondContact O-N 3.19Å; T532-I552 VanDerWaalsContact O-N 3.16Å; Y534-I552 HydrophobicContact CD1-CB 4.06Å; I552-R554 VanDerWaalsContact C-N 3.34Å; I552-R554 PolarHBondContact O-N 3.46Å; I552-F556 HydrophobicContact CG1-CB 4.08Å; I552-F556 HydrophobicContact CG1-CD2 3.71Å; I552-F556 HydrophobicContact CG1-CG 4.2Å; I552-F556 WeakPolarHBondContact O-CA 3.38Å; I552-F556 WeakPolarHBondContact O-CB 3.36Å; I552-F556 PolarHBondContact O-N 3.28Å; I552-M557 HydrophobicContact CD1-CE 3.98Å; I552-M557 HydrophobicContact CG1-CE 3.95Å; I552-M557 PolarHBondContact O-N 2.99Å
553	L	91.1	Very high	83	Confident	23 Å²	23	72.3 Å²	72.3	12%	0.12	38%	0.383	C	S	.	.	H	α-helix	trans	-65.7	-40.1	-178.1	-59	179.7	0	0	0	111.6	F374 T532 S551 M557 G558 C559	F374-L553 HydrophobicContact CE2-CD2 3.97Å; F374-L553 HydrophobicContact CZ-CD2 3.77Å; T532-L553 HydrophobicContact CG2-CD1 4.34Å; S551-L553 VanDerWaalsContact C-N 3.25Å; S551-L553 PolarHBondContact O-N 3.06Å; S551-L553 PolarHBondContact OG-N 2.97Å; L553-M557 HydrophobicContact CD2-CG 4.08Å; L553-M557 CarbonylContact O-C 3.58Å; L553-M557 WeakPolarHBondContact O-CA 3.32Å; L553-M557 WeakPolarHBondContact O-CB 3.37Å; L553-M557 PolarHBondContact O-N 2.85Å; L553-G558 PolarHBondContact O-N 2.7Å; L553-C559 HydrophobicContact CB-CB 4.22Å; L553-C559 WeakPolarHBondContact O-CB 3.14Å; L553-C559 PolarHBondContact O-N 2.52Å
554	R	87.8	Confident	80.2	Confident	139 Å²	139	74.7 Å²	74.7	53%	0.525	40%	0.399	S	S	.	.	H	α-helix	trans	-77	-49.6	179	-172.9	-173.9	66.1	-162.3	-0.9	111.7	S551 I552	S551-R554 PolarHBondContact OG-N 2.96Å; I552-R554 VanDerWaalsContact C-N 3.34Å; I552-R554 PolarHBondContact O-N 3.46Å
555	D	87.6	Confident	77.3	Confident	40 Å²	40	77.7 Å²	77.7	21%	0.214	42%	0.422	C	S	.	.	H	α-helix	trans	-82.4	-28.4	-167.6	-63.9	2.6	0	0	0	112.3	N398 Y534 S551	N398-D555 PolarHBondContact ND2-O 2.91Å; N398-D555 VanDerWaalsContact ND2-O 3.17Å; N398-D555 PolarHBondContact OD1-O 3.39Å; Y534-D555 HydrophobicContact CE1-CB 3.87Å; Y534-D555 WeakPolarHBondContact CE1-OD2 3.48Å; Y534-D555 PolarHBondContact OH-OD2 3.28Å; S551-D555 PolarHBondContact O-N 2.74Å
556	F	88.1	Confident	74.5	Confident	28 Å²	28	78.4 Å²	78.4	12%	0.123	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-37.8	-179.8	-68.5	-89.1	0	0	0	114.2	M384 V395 N398 F518 Y527 Y534 I552	M384-F556 HydrophobicContact CE-CD1 3.44Å; M384-F556 VanDerWaalsContact CE-CD1 3.44Å; M384-F556 HydrophobicContact CE-CE1 3.74Å; M384-F556 HydrophobicContact CE-CG 4.17Å; M384-F556 HydrophobicContact SD-CB 4.3Å; M384-F556 HydrophobicContact SD-CD1 4.17Å; M384-F556 HydrophobicContact SD-CG 4.49Å; V395-F556 WeakPolarHBondContact CG1-O 3.41Å; N398-F556 CarbonylContact C-O 3.53Å; N398-F556 VanDerWaalsContact C-O 3.26Å; N398-F556 WeakPolarHBondContact CA-O 3.43Å; F518-F556 AromaticContact CE2-CE1 3.86Å; F518-F556 HydrophobicContact CE2-CE1 3.86Å; F518-F556 AromaticContact CE2-CZ 3.9Å; F518-F556 HydrophobicContact CE2-CZ 3.9Å; F518-F556 AromaticContact CZ-CE1 3.88Å; F518-F556 HydrophobicContact CZ-CE1 3.88Å; F518-F556 HydrophobicContact CZ-CE2 4.29Å; F518-F556 AromaticContact CZ-CZ 3.74Å; F518-F556 HydrophobicContact CZ-CZ 3.74Å; Y527-F556 HydrophobicContact CD1-CZ 4.49Å; Y534-F556 HydrophobicContact CD1-CD2 4.32Å; Y534-F556 HydrophobicContact CD1-CE2 4.06Å; Y534-F556 AromaticContact CD2-CE2 3.8Å; Y534-F556 HydrophobicContact CD2-CE2 3.8Å; Y534-F556 HydrophobicContact CE1-CD2 4.21Å; Y534-F556 AromaticContact CE1-CE2 3.9Å; Y534-F556 HydrophobicContact CE1-CE2 3.9Å; Y534-F556 AromaticContact CE2-CE2 3.6Å; Y534-F556 HydrophobicContact CE2-CE2 3.6Å; Y534-F556 HydrophobicContact CE2-CZ 4.26Å; Y534-F556 HydrophobicContact CG-CE2 4.02Å; Y534-F556 AromaticContact CZ-CE2 3.68Å; I552-F556 HydrophobicContact CG1-CB 4.08Å; I552-F556 HydrophobicContact CG1-CD2 3.71Å; I552-F556 HydrophobicContact CG1-CG 4.2Å; I552-F556 WeakPolarHBondContact O-CA 3.38Å; I552-F556 WeakPolarHBondContact O-CB 3.36Å; I552-F556 PolarHBondContact O-N 3.28Å
557	M	89.3	Confident	72	Confident	6 Å²	6	79 Å²	79	3%	0.03	44%	0.443	C	S	.	.	S	Bend	trans	-87.8	-6.6	-174.4	-49.1	-57.2	158.7	0	0	113.5	I369 F374 M384 V386 V395 I552 L553 C559	I369-M557 HydrophobicContact CD1-CB 4.22Å; I369-M557 HydrophobicContact CD1-CG 4.18Å; I369-M557 HydrophobicContact CD1-SD 3.52Å; I369-M557 VanDerWaalsContact CD1-SD 3.52Å; I369-M557 HydrophobicContact CG1-CB 4.34Å; I369-M557 HydrophobicContact CG1-CG 4.24Å; I369-M557 HydrophobicContact CG1-SD 4.09Å; I369-M557 HydrophobicContact CG2-CB 4.48Å; F374-M557 HydrophobicContact CE2-CE 3.89Å; F374-M557 HydrophobicContact CE2-CG 4.28Å; F374-M557 HydrophobicContact CE2-SD 4.46Å; F374-M557 HydrophobicContact CZ-CE 4.44Å; F374-M557 HydrophobicContact CZ-CG 4.19Å; F374-M557 HydrophobicContact CZ-SD 4.45Å; M384-M557 HydrophobicContact SD-CE 3.91Å; V386-M557 HydrophobicContact CG2-CE 3.55Å; V386-M557 HydrophobicContact CG2-SD 3.96Å; V395-M557 HydrophobicContact CG2-SD 4.01Å; I552-M557 HydrophobicContact CD1-CE 3.98Å; I552-M557 HydrophobicContact CG1-CE 3.95Å; I552-M557 PolarHBondContact O-N 2.99Å; L553-M557 HydrophobicContact CD2-CG 4.08Å; L553-M557 CarbonylContact O-C 3.58Å; L553-M557 WeakPolarHBondContact O-CA 3.32Å; L553-M557 WeakPolarHBondContact O-CB 3.37Å; L553-M557 PolarHBondContact O-N 2.85Å; M557-C559 VanDerWaalsContact C-N 3.27Å; M557-C559 PolarHBondContact O-N 3.11Å
558	G	82.9	Confident	69.3	Low	48 Å²	48	87.7 Å²	87.7	50%	0.495	46%	0.457	S	S	.	.			trans	71.2	18.8	179.4	0	0	0	0	0	114.1	N398 L553	N398-G558 PolarHBondContact O-N 2.91Å; L553-G558 PolarHBondContact O-N 2.7Å
559	C	85.4	Confident	66.6	Low	17 Å²	17	96.6 Å²	96.6	12%	0.115	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-76.7	123.6	178.8	-58.3	0	0	0	0	110.4	C370 L553 M557	C370-C559 WeakPolarHBondContact CA-SG 3.49Å; C370-C559 HydrophobicContact CB-CB 3.92Å; C370-C559 WeakPolarHBondContact CB-SG 3.24Å; C370-C559 WeakPolarHBondContact SG-CB 3.48Å; C370-C559 CovalentContact SG-SG 2.04Å; C370-C559 PolarHBondContact SG-SG 2.89Å; L553-C559 HydrophobicContact CB-CB 4.22Å; L553-C559 WeakPolarHBondContact O-CB 3.14Å; L553-C559 PolarHBondContact O-N 2.52Å; M557-C559 VanDerWaalsContact C-N 3.27Å; M557-C559 PolarHBondContact O-N 3.11Å
560	Q	75.6	Confident	63.9	Low	185 Å²	185	99.2 Å²	99.2	86%	0.864	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-86.8	138.2	170.4	-68.3	-175.7	-10.5	0	0	110.1	H562	Q560-H562 PolarHBondContact O-N 3.18Å
561	E	54.2	Low	61.2	Low	160 Å²	160	103.6 Å²	103.6	75%	0.748	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-69.2	121	167.2	-78.6	-178.3	168.1	0	0	108.9	V563	E561-V563 HydrophobicContact CB-CG2 4.39Å; E561-V563 PolarHBondContact O-N 2.77Å
562	H	42.2	Very low	58.9	Low	188 Å²	188	108.6 Å²	108.6	87%	0.87	56%	0.562	S	S	*	*			trans	-65.9	92.5	153	-88.6	-78.1	0	0	0	106.9	Q560 E564	Q560-H562 PolarHBondContact O-N 3.18Å; H562-E564 PolarHBondContact O-N 2.78Å
563	V	37.7	Very low	56.6	Low	111 Å²	111	112.7 Å²	112.7	67%	0.673	60%	0.597	S	S	*	*			trans	-67	94.7	158.5	-178.1	0	0	0	0	105.1	E561 P565	E561-V563 HydrophobicContact CB-CG2 4.39Å; E561-V563 PolarHBondContact O-N 2.77Å; V563-P565 WeakPolarHBondContact O-CD 3.2Å
564	E	33.7	Very low	54	Low	166 Å²	166	123 Å²	123	78%	0.776	63%	0.634	S	S	*	*			trans	-49.6	113.6	156.1	-78.4	-91.9	146	0	0	105.7	H562 G566	H562-E564 PolarHBondContact O-N 2.78Å; E564-G566 PolarHBondContact O-N 2.84Å
565	P	33.1	Very low	51.6	Low	115 Å²	115	122.2 Å²	122.2	75%	0.747	65%	0.647	S	S	*	*			trans	-64.4	106.6	175.4	24.9	-28.7	0	0	0	106.3	V563	V563-P565 WeakPolarHBondContact O-CD 3.2Å
566	G	34.6	Very low	49.1	Very low	50 Å²	50	126.4 Å²	126.4	52%	0.515	68%	0.676	S	S	.	*			trans	-51.3	154.3	175.6	0	0	0	0	0	110.6	E564 R568	E564-G566 PolarHBondContact O-N 2.84Å; G566-R568 PolarHBondContact O-N 3.49Å
567	P	38.4	Very low	46.4	Very low	116 Å²	116	134.3 Å²	134.3	75%	0.753	71%	0.711	S	S	*	*			trans	-58.1	107	-172	-18	29.3	0	0	0	110.1	W569	P567-W569 VanDerWaalsContact C-N 3.32Å; P567-W569 PolarHBondContact O-N 3.44Å
568	R	32.3	Very low	43.9	Very low	244 Å²	244	141.1 Å²	141.1	92%	0.921	75%	0.747	S	S	*	*			trans	-69.7	94.9	166.1	-87.9	-175.5	-177.3	166.7	1.7	107.2	G566 P570	G566-R568 PolarHBondContact O-N 3.49Å; R568-P570 WeakPolarHBondContact O-CD 3.45Å
569	W	33.6	Very low	42	Very low	224 Å²	224	142.2 Å²	142.2	85%	0.848	75%	0.746	S	S	*	*			trans	-69.3	123.1	154.3	-64.4	98	0	0	0	107.2	P567 D571	P567-W569 VanDerWaalsContact C-N 3.32Å; P567-W569 PolarHBondContact O-N 3.44Å; W569-D571 PolarHBondContact O-N 3.27Å
570	P	36.7	Very low	39.5	Very low	109 Å²	109	150.7 Å²	150.7	71%	0.708	78%	0.783	S	S	*	*			trans	-72.5	119.8	172	-4.1	18.9	0	0	0	108.9	R568 V572	R568-P570 WeakPolarHBondContact O-CD 3.45Å; P570-V572 PolarHBondContact O-N 2.92Å; P570-V572 VanDerWaalsContact O-N 3.08Å
571	D	36	Very low	37.3	Very low	166 Å²	166	145.8 Å²	145.8	89%	0.888	78%	0.782	S	S	*	*			trans	-59.1	106.9	166.6	-86.9	-38.3	0	0	0	109.8	W569 A573	W569-D571 PolarHBondContact O-N 3.27Å; D571-A573 VanDerWaalsContact C-N 3.31Å; D571-A573 PolarHBondContact O-N 3.28Å; D571-A573 VanDerWaalsContact O-N 3.13Å
572	V	45.2	Very low	36.2	Very low	145 Å²	145	141.6 Å²	141.6	88%	0.879	78%	0.782	S	S	*	*			trans	-83.6	78	170.9	-172.6	0	0	0	0	108.5	P570	P570-V572 PolarHBondContact O-N 2.92Å; P570-V572 VanDerWaalsContact O-N 3.08Å
573	A	42.9	Very low	35.6	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	78%	0.784	S	S	*	*			trans	-161.8	69.3	164.2	0	0	0	0	0	112.3	D571	D571-A573 VanDerWaalsContact C-N 3.31Å; D571-A573 PolarHBondContact O-N 3.28Å; D571-A573 VanDerWaalsContact O-N 3.13Å
574	R	36.4	Very low	35.2	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.906	79%	0.791	S	S	*	*			trans	-138.6	126.2	154.2	-74.1	-169.7	178.9	-176.1	-0.7	109.9
575	P	36.9	Very low	35.7	Very low	122 Å²	122	140.7 Å²	140.7	79%	0.792	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-73	158.1	178	30.1	-31.9	0	0	0	111.3
576	P	35.8	Very low	35.5	Very low	127 Å²	127	138.3 Å²	138.3	83%	0.825	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.6	149.1	-168.9	28.9	-32.8	0	0	0	113.3
577	F	32.7	Very low	35.4	Very low	195 Å²	195	142 Å²	142	86%	0.855	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-56.3	131.9	176.4	-162.7	-99.1	0	0	0	112
578	N	35.2	Very low	35	Very low	148 Å²	148	143 Å²	143	79%	0.791	80%	0.799	S	S	*	*			trans	-106.4	120	172	-163.4	30.5	0	0	0	109.2
579	P	43.3	Very low	34.9	Very low	72 Å²	72	136.7 Å²	136.7	47%	0.468	79%	0.793	S	S	.	*			trans	-88.1	148.4	175.9	34.6	-28.7	0	0	0	110.4
580	H	32.7	Very low	34.8	Very low	194 Å²	194	130.7 Å²	130.7	90%	0.898	79%	0.791	S	S	*	*			trans	103.9	112.2	172.4	-54.2	-61.7	0	0	0	116.9
581	G	30.7	Very low	34.5	Very low	82 Å²	82	134.1 Å²	134.1	85%	0.845	80%	0.798	S	S	*	*			trans	156.6	92.4	163.9	0	0	0	0	0	111
582	G	29.6	Very low	34.2	Very low	72 Å²	72	131.4 Å²	131.4	74%	0.742	79%	0.791	S	S	*	*			trans	-90.7	-173.6	-176.1	0	0	0	0	0	115.7
583	T	29.6	Very low	33.5	Very low	150 Å²	150	131.5 Å²	131.5	92%	0.92	79%	0.787	S	S	*	*			trans	107.3	117.9	162.2	-27.5	0	0	0	0	116.6
584	E	29.4	Very low	33	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	79%	0.793	S	S	*	*			trans	-67.3	-164.8	-178.4	-61.2	-171.4	156.9	0	0	116.4
585	P	45.8	Very low	32.7	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	79%	0.794	S	S	*	*			cis	-137.4	174.9	-10.5	16.4	10.4	0	0	0	116.9
586	G	28.7	Very low	32.6	Very low	65 Å²	65	135.7 Å²	135.7	67%	0.67	80%	0.799	S	S	*	*			trans	155.8	86.9	156.8	0	0	0	0	0	115
587	V	32.1	Very low	32.3	Very low	128 Å²	128	133.5 Å²	133.5	78%	0.776	80%	0.799	S	S	*	*				75.5	115.1	100.4	172.4	0	0	0	0	111.3
588	D	29.9	Very low	32.4	Very low	137 Å²	137	132.7 Å²	132.7	73%	0.733	80%	0.804	S	S	*	*			cis	-170.9	141	49.5	-113.1	-21.6	0	0	0	114.6
589	S	30.5	Very low	32.2	Very low	111 Å²	111	129.5 Å²	129.5	78%	0.776	81%	0.806	S	S	*	*			trans	50.3	140.7	140.8	56.2	0	0	0	0	122.9
590	A	31	Very low	31.5	Very low	99 Å²	99	133.3 Å²	133.3	82%	0.818	82%	0.822	S	S	*	*			cis	-165.7	142.8	-1.8	0	0	0	0	0	110
591	E	30.6	Very low	31.4	Very low	181 Å²	181	129.1 Å²	129.1	85%	0.846	82%	0.815	S	S	*	*			trans	-90.6	165	166.5	-73.3	176.5	133.3	0	0	111.7
592	S	30	Very low	31.3	Very low	108 Å²	108	129 Å²	129	76%	0.755	81%	0.814	S	S	*	*				166.3	149.4	126.4	45.9	0	0	0	0	110
593	N	29.3	Very low	31.2	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	82%	0.822	S	S	*	*			cis	-163.5	148.7	-18	-105.9	-13.2	0	0	0	106.3
594	M	33.3	Very low	31.1	Very low	171 Å²	171	127.2 Å²	127.2	84%	0.842	81%	0.814	S	S	*	*			trans	-75.4	161.1	160.5	-65.6	172.9	176.1	0	0	109.9
595	E	29.8	Very low	31.1	Very low	198 Å²	198	123.7 Å²	123.7	93%	0.925	82%	0.815	S	S	*	*				-166.7	132.1	127.5	-109.7	170.2	-176.1	0	0	112.5
596	D	35.2	Very low	30.3	Very low	168 Å²	168	124.7 Å²	124.7	90%	0.898	81%	0.814	S	S	*	*			trans	-84.4	159	167.1	-77.2	-50.4	0	0	0	110.9
597	G	28.8	Very low	30.4	Very low	80 Å²	80	129 Å²	129	83%	0.825	81%	0.814	S	S	*	*			trans	-165.5	111.8	166.9	0	0	0	0	0	113.7
598	D	35.7	Very low	30.2	Very low	179 Å²	179	129.3 Å²	129.3	96%	0.957	81%	0.811	S	S	*	*			trans	-69.8	156.2	170.9	-93.7	-32.2	0	0	0	113.5
599	G	29.3	Very low	30.3	Very low	81 Å²	81	126.7 Å²	126.7	84%	0.835	82%	0.817	S	S	*	*			trans	175.1	130.3	165.9	0	0	0	0	0	116.4
600	D	30.2	Very low	30.3	Very low	152 Å²	152	128.4 Å²	128.4	81%	0.813	82%	0.817	S	S	*	*			trans	-85.7	163.5	-162.3	178.8	36.7	0	0	0	117.7
601	S	30	Very low	30.3	Very low	106 Å²	106	129.2 Å²	129.2	74%	0.741	82%	0.817	S	S	*	*			trans	74	136.5	147	64.1	0	0	0	0	123.5
602	G	27.6	Very low	30.2	Very low	80 Å²	80	130.7 Å²	130.7	83%	0.825	81%	0.814	S	S	*	*			trans	136.7	111	143	0	0	0	0	0	119.1
603	A	28.7	Very low	30.5	Very low	110 Å²	110	132.3 Å²	132.3	91%	0.909	82%	0.82	S	S	*	*			trans	-39.9	157.1	171.6	0	0	0	0	0	120.4
604	G	27.7	Very low	30.8	Very low	74 Å²	74	130.5 Å²	130.5	76%	0.763	81%	0.814	S	S	*	*			trans	130.5	101.1	133.8	0	0	0	0	0	119.8
605	A	28.3	Very low	31.1	Very low	100 Å²	100	128 Å²	128	83%	0.826	81%	0.808	S	S	*	*			trans	60.1	123.4	134	0	0	0	0	0	123.7
606	N	29.7	Very low	31.7	Very low	142 Å²	142	127.1 Å²	127.1	76%	0.759	80%	0.804	S	S	*	*			trans	75.8	116.7	134.6	-101.6	2.9	0	0	0	122.9
607	K	29.9	Very low	32.2	Very low	157 Å²	157	127.4 Å²	127.4	68%	0.683	80%	0.802	S	S	*	*				99.2	123.7	118.9	-89.5	-175.9	168.9	-163.9	0	121.8
608	D	29.9	Very low	33.1	Very low	134 Å²	134	132.1 Å²	132.1	72%	0.717	80%	0.802	S	S	*	*			trans	82.9	104.3	133.8	-61.3	-19.2	0	0	0	121
609	G	31.8	Very low	33.9	Very low	82 Å²	82	131 Å²	131	85%	0.845	79%	0.792	S	S	*	*				73.4	147.8	128.2	0	0	0	0	0	117.8
610	D	29.8	Very low	35	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	78%	0.782	S	S	*	*			cis	-171.7	143.7	-5.1	174	25.4	0	0	0	104.2
611	S	31.3	Very low	36.1	Very low	116 Å²	116	127.7 Å²	127.7	81%	0.811	77%	0.766	S	S	*	*			trans	175.9	84	149.6	-78.3	0	0	0	0	111.8
612	R	27.8	Very low	37.4	Very low	211 Å²	211	132.2 Å²	132.2	80%	0.796	77%	0.767	S	S	*	*				57.4	104.9	116.7	-156.1	172.7	-174.2	156.1	0.9	120	V614	R612-V614 HydrophobicContact CG-CG2 3.9Å
613	V	35.5	Very low	38.8	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	75%	0.752	S	S	*	*			trans	-121	121.8	147.3	178.1	0	0	0	0	108.2
614	V	35.9	Very low	40.3	Very low	109 Å²	109	131.1 Å²	131.1	66%	0.661	73%	0.733	S	S	*	*			trans	-98.4	118.4	-178.3	173.6	0	0	0	0	108.7	R612	R612-V614 HydrophobicContact CG-CG2 3.9Å
615	V	39.5	Very low	42.1	Very low	120 Å²	120	133 Å²	133	73%	0.727	73%	0.725	S	S	*	*			trans	-142.9	124	157.5	-175.4	0	0	0	0	110.4
616	Q	42.4	Very low	43.9	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	71%	0.708	S	S	*	*			trans	-3	114.5	168.9	-76.6	164.5	-42	0	0	119.3
617	M	45.4	Very low	45.9	Very low	173 Å²	173	129.1 Å²	129.1	85%	0.852	70%	0.696	S	S	*	*			trans	-129.7	19.8	168.4	-120.8	164.4	70.4	0	0	113.3
618	E	49.6	Very low	47.8	Very low	180 Å²	180	128 Å²	128	84%	0.841	70%	0.695	S	S	*	*	S	Bend	trans	-94.9	-18.3	-177.3	-85.1	-170.8	141.4	0	0	115.2
619	E	51.4	Low	50	Low	156 Å²	156	125.9 Å²	125.9	73%	0.729	69%	0.687	S	S	*	*	H	α-helix	trans	-88.8	-27.4	-172.6	-153.6	160.2	-160.5	0	0	113.8	T623	E619-T623 PolarHBondContact O-OG1 2.87Å
620	V	53.5	Low	52.2	Low	104 Å²	104	126.6 Å²	126.6	63%	0.63	67%	0.671	S	S	*	*	H	α-helix	trans	-79	-36	-178.8	-176.7	0	0	0	0	112.1	R622 T623 V624	V620-R622 VanDerWaalsContact C-N 3.35Å; V620-R622 PolarHBondContact O-N 2.87Å; V620-T623 WeakPolarHBondContact CA-OG1 3.38Å; V620-T623 PolarHBondContact O-OG1 3.36Å; V620-V624 HydrophobicContact CG1-CG2 4.47Å; V620-V624 VanDerWaalsContact O-CG2 3.31Å; V620-V624 WeakPolarHBondContact O-CG2 3.27Å; V620-V624 PolarHBondContact O-N 3.3Å
621	A	53.2	Low	54.5	Low	59 Å²	59	123.2 Å²	123.2	49%	0.488	66%	0.655	S	S	.	*	H	α-helix	trans	-69.3	-34.1	179.7	0	0	0	0	0	112.4	N625	A621-N625 PolarHBondContact O-N 3.36Å
622	R	56.6	Low	57	Low	200 Å²	200	121 Å²	121	76%	0.755	64%	0.638	S	S	*	*	H	α-helix	trans	-70.8	-37.9	179.5	-165.1	180	-92.2	175.5	-4.7	111.6	V620 V626	V620-R622 VanDerWaalsContact C-N 3.35Å; V620-R622 PolarHBondContact O-N 2.87Å; R622-V626 VanDerWaalsContact O-CG2 3.25Å; R622-V626 WeakPolarHBondContact O-CG2 3.48Å; R622-V626 PolarHBondContact O-N 3.31Å
623	T	56.7	Low	59.5	Low	84 Å²	84	115.7 Å²	115.7	52%	0.515	63%	0.625	S	S	.	*	H	α-helix	trans	-69.5	-41.8	177.5	30	0	0	0	0	112.3	E619 V620 N625 V626 V627	E619-T623 PolarHBondContact O-OG1 2.87Å; V620-T623 WeakPolarHBondContact CA-OG1 3.38Å; V620-T623 PolarHBondContact O-OG1 3.36Å; T623-N625 PolarHBondContact O-N 3.11Å; T623-V626 PolarHBondContact O-N 3.27Å; T623-V627 WeakPolarHBondContact O-CG2 3.35Å; T623-V627 PolarHBondContact O-N 2.82Å; T623-V627 VanDerWaalsContact O-N 3.11Å
624	V	61	Low	61.8	Low	83 Å²	83	114.1 Å²	114.1	50%	0.503	61%	0.611	S	S	.	*	H	α-helix	trans	-65.2	-40.1	178.1	178	0	0	0	0	111.9	V620 V626 V627 M628	V620-V624 HydrophobicContact CG1-CG2 4.47Å; V620-V624 VanDerWaalsContact O-CG2 3.31Å; V620-V624 WeakPolarHBondContact O-CG2 3.27Å; V620-V624 PolarHBondContact O-N 3.3Å; V624-V626 PolarHBondContact O-N 2.84Å; V624-V627 PolarHBondContact O-N 3.38Å; V624-M628 HydrophobicContact CG1-CG 4.49Å; V624-M628 WeakPolarHBondContact O-CB 3.37Å; V624-M628 VanDerWaalsContact O-CG 3.32Å; V624-M628 WeakPolarHBondContact O-CG 3.47Å; V624-M628 PolarHBondContact O-N 3.25Å; V624-M628 VanDerWaalsContact O-N 3.07Å
625	N	64	Low	64.1	Low	113 Å²	113	114.2 Å²	114.2	60%	0.604	61%	0.607	S	S	*	*	H	α-helix	trans	-67.1	-35.2	176.8	-80.9	-18.2	0	0	0	113.2	A621 T623 V629	A621-N625 PolarHBondContact O-N 3.36Å; T623-N625 PolarHBondContact O-N 3.11Å; N625-V629 WeakPolarHBondContact O-CG2 3.44Å; N625-V629 PolarHBondContact O-N 3.37Å
626	V	67.3	Low	66.5	Low	75 Å²	75	113.6 Å²	113.6	46%	0.455	60%	0.6	S	S	.	*	H	α-helix	trans	-69.4	-40.9	177.5	169.5	0	0	0	0	111.2	R622 T623 V624 V629 L630	R622-V626 VanDerWaalsContact O-CG2 3.25Å; R622-V626 WeakPolarHBondContact O-CG2 3.48Å; R622-V626 PolarHBondContact O-N 3.31Å; T623-V626 PolarHBondContact O-N 3.27Å; V624-V626 PolarHBondContact O-N 2.84Å; V626-V629 PolarHBondContact O-N 3.36Å; V626-L630 HydrophobicContact CG1-CD1 3.46Å; V626-L630 VanDerWaalsContact CG1-CD1 3.46Å; V626-L630 HydrophobicContact CG1-CG 4.2Å; V626-L630 WeakPolarHBondContact O-CB 3.24Å; V626-L630 WeakPolarHBondContact O-CG 3.43Å; V626-L630 PolarHBondContact O-N 2.88Å
627	V	70.5	Confident	68.6	Low	86 Å²	86	110.3 Å²	110.3	52%	0.521	59%	0.587	S	S	.	*	H	α-helix	trans	-65.9	-42.6	177.8	174	0	0	0	0	111.4	T623 V624 V629 L630 V631	T623-V627 WeakPolarHBondContact O-CG2 3.35Å; T623-V627 PolarHBondContact O-N 2.82Å; T623-V627 VanDerWaalsContact O-N 3.11Å; V624-V627 PolarHBondContact O-N 3.38Å; V627-V629 PolarHBondContact O-N 2.86Å; V627-L630 PolarHBondContact O-N 3.5Å; V627-V631 HydrophobicContact CG1-CG2 3.99Å; V627-V631 WeakPolarHBondContact O-CB 3.33Å; V627-V631 WeakPolarHBondContact O-CG2 3.5Å; V627-V631 PolarHBondContact O-N 2.96Å; V627-V631 VanDerWaalsContact O-N 3.15Å
628	M	70.1	Confident	70.3	Confident	134 Å²	134	105.4 Å²	105.4	66%	0.66	57%	0.569	S	S	*	*	H	α-helix	trans	-64.2	-20.6	179	-74.7	-65.7	-69.9	0	0	113.8	V624 P632	V624-M628 HydrophobicContact CG1-CG 4.49Å; V624-M628 WeakPolarHBondContact O-CB 3.37Å; V624-M628 VanDerWaalsContact O-CG 3.32Å; V624-M628 WeakPolarHBondContact O-CG 3.47Å; V624-M628 PolarHBondContact O-N 3.25Å; V624-M628 VanDerWaalsContact O-N 3.07Å; M628-P632 WeakPolarHBondContact O-CD 3.32Å; M628-P632 WeakPolarHBondContact O-CG 3.36Å
629	V	76.4	Confident	72.2	Confident	89 Å²	89	101 Å²	101	54%	0.539	56%	0.555	S	S	.	*	H	α-helix	trans	-98.7	-40.9	178.7	176.6	0	0	0	0	111.8	N625 V626 V627 P632 L633	N625-V629 WeakPolarHBondContact O-CG2 3.44Å; N625-V629 PolarHBondContact O-N 3.37Å; V626-V629 PolarHBondContact O-N 3.36Å; V627-V629 PolarHBondContact O-N 2.86Å; V629-P632 WeakPolarHBondContact O-CD 3.32Å; V629-L633 HydrophobicContact CG1-CD1 3.94Å; V629-L633 WeakPolarHBondContact O-CB 3.4Å; V629-L633 PolarHBondContact O-N 3.3Å
630	L	77.8	Confident	73.9	Confident	98 Å²	98	98.2 Å²	98.2	51%	0.513	54%	0.544	S	S	.	.	H	α-helix	trans	-71.7	-39	-176.8	-75.7	174.9	0	0	0	113	V626 V627 L633 L634	V626-L630 HydrophobicContact CG1-CD1 3.46Å; V626-L630 VanDerWaalsContact CG1-CD1 3.46Å; V626-L630 HydrophobicContact CG1-CG 4.2Å; V626-L630 WeakPolarHBondContact O-CB 3.24Å; V626-L630 WeakPolarHBondContact O-CG 3.43Å; V626-L630 PolarHBondContact O-N 2.88Å; V627-L630 PolarHBondContact O-N 3.5Å; L630-L633 PolarHBondContact O-N 2.93Å; L630-L634 WeakPolarHBondContact O-CB 3.24Å; L630-L634 PolarHBondContact O-N 2.92Å
631	V	79.4	Confident	75.5	Confident	76 Å²	76	95.2 Å²	95.2	46%	0.461	53%	0.534	S	S	.	.	H	α-helix	trans	-64.9	-47.3	-177.1	174.4	0	0	0	0	111.7	V627 L633 L634 L635	V627-V631 HydrophobicContact CG1-CG2 3.99Å; V627-V631 WeakPolarHBondContact O-CB 3.33Å; V627-V631 WeakPolarHBondContact O-CG2 3.5Å; V627-V631 PolarHBondContact O-N 2.96Å; V627-V631 VanDerWaalsContact O-N 3.15Å; V631-L633 PolarHBondContact O-N 2.9Å; V631-L634 PolarHBondContact O-N 2.89Å; V631-L635 HydrophobicContact CG1-CD1 4.26Å; V631-L635 WeakPolarHBondContact O-CG 3.48Å; V631-L635 PolarHBondContact O-N 2.86Å
632	P	83.1	Confident	77	Confident	70 Å²	70	97.8 Å²	97.8	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-37	174.7	-23.1	34.7	0	0	0	113.4	M628 V629 L635 L636	M628-P632 WeakPolarHBondContact O-CD 3.32Å; M628-P632 WeakPolarHBondContact O-CG 3.36Å; V629-P632 WeakPolarHBondContact O-CD 3.32Å; P632-L635 PolarHBondContact O-N 3.41Å; P632-L636 WeakPolarHBondContact O-CB 3.41Å; P632-L636 PolarHBondContact O-N 3.35Å
633	L	80.9	Confident	78.3	Confident	99 Å²	99	91.4 Å²	91.4	52%	0.518	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-41.9	177.2	-100.6	156.8	0	0	0	112.2	V629 L630 V631 L636 L637	V629-L633 HydrophobicContact CG1-CD1 3.94Å; V629-L633 WeakPolarHBondContact O-CB 3.4Å; V629-L633 PolarHBondContact O-N 3.3Å; L630-L633 PolarHBondContact O-N 2.93Å; V631-L633 PolarHBondContact O-N 2.9Å; L633-L636 PolarHBondContact O-N 2.99Å; L633-L637 PolarHBondContact O-N 3.38Å; L633-L637 WeakPolarHBondContact O-CG 3.46Å
634	L	83.6	Confident	79.5	Confident	110 Å²	110	94.5 Å²	94.5	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-63.8	-45.2	175.1	-107.2	155.3	0	0	0	111.7	L630 V631 L636 L637 C638	L630-L634 WeakPolarHBondContact O-CB 3.24Å; L630-L634 PolarHBondContact O-N 2.92Å; V631-L634 PolarHBondContact O-N 2.89Å; L634-L636 PolarHBondContact O-N 3.49Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L634-L637 PolarHBondContact O-N 3.4Å; L634-C638 PolarHBondContact O-N 3.12Å; L634-C638 PolarHBondContact O-SG 3.19Å; L634-C638 VanDerWaalsContact O-SG 3.37Å
635	L	84.5	Confident	80.3	Confident	110 Å²	110	92.8 Å²	92.8	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-61.4	-40	176.1	-71.7	173	0	0	0	111.8	V631 P632 C638 V639	V631-L635 HydrophobicContact CG1-CD1 4.26Å; V631-L635 WeakPolarHBondContact O-CG 3.48Å; V631-L635 PolarHBondContact O-N 2.86Å; P632-L635 PolarHBondContact O-N 3.41Å; L635-C638 WeakPolarHBondContact O-CB 3.26Å; L635-C638 PolarHBondContact O-N 2.89Å; L635-V639 WeakPolarHBondContact O-CG2 3.45Å; L635-V639 PolarHBondContact O-N 2.89Å
636	L	87.9	Confident	81.1	Confident	108 Å²	108	92.6 Å²	92.6	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-67.1	-38.9	178.4	-154.6	146.6	0	0	0	111.4	P632 L633 L634 V639 L640	P632-L636 WeakPolarHBondContact O-CB 3.41Å; P632-L636 PolarHBondContact O-N 3.35Å; L633-L636 PolarHBondContact O-N 2.99Å; L634-L636 PolarHBondContact O-N 3.49Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L636-V639 PolarHBondContact O-N 3.15Å; L636-L640 HydrophobicContact CD2-CD1 3.69Å; L636-L640 PolarHBondContact O-N 3.39Å; L636-L640 WeakPolarHBondContact O-CG 3.34Å; L636-L640 VanDerWaalsContact O-CG 3.32Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 HydrophobicContact CD2-CG 4.15Å
637	L	86.7	Confident	81.6	Confident	109 Å²	109	92.1 Å²	92.1	57%	0.571	52%	0.515	S	S	*	.	H	α-helix	trans	-64	-39.4	171.6	-74.5	172.8	0	0	0	112.6	L633 L634 L640 G641	L633-L637 PolarHBondContact O-N 3.38Å; L633-L637 WeakPolarHBondContact O-CG 3.46Å; L634-L637 PolarHBondContact O-N 3.4Å; L637-L640 PolarHBondContact O-N 2.94Å; L637-G641 PolarHBondContact O-N 2.84Å
638	C	82.3	Confident	81.7	Confident	71 Å²	71	90.8 Å²	90.8	48%	0.48	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-42.2	174.6	-71.5	0	0	0	0	111.9	L634 L635 G641 L642	L634-C638 PolarHBondContact O-N 3.12Å; L634-C638 PolarHBondContact O-SG 3.19Å; L634-C638 VanDerWaalsContact O-SG 3.37Å; L635-C638 WeakPolarHBondContact O-CB 3.26Å; L635-C638 PolarHBondContact O-N 2.89Å; C638-G641 PolarHBondContact O-N 3.07Å; C638-L642 WeakPolarHBondContact O-CB 3.36Å; C638-L642 PolarHBondContact O-N 3.5Å; C638-L642 WeakPolarHBondContact O-CG 3.17Å
639	V	88.9	Confident	81.6	Confident	88 Å²	88	90.3 Å²	90.3	53%	0.533	50%	0.501	S	S	.	.	H	α-helix	trans	-65.9	-41	176.2	174	0	0	0	0	111.2	L635 L636 G641 L642 T643	L635-V639 WeakPolarHBondContact O-CG2 3.45Å; L635-V639 PolarHBondContact O-N 2.89Å; L636-V639 PolarHBondContact O-N 3.15Å; V639-G641 VanDerWaalsContact C-N 3.34Å; V639-L642 PolarHBondContact O-N 3.06Å; V639-T643 HydrophobicContact CG1-CG2 4.44Å; V639-T643 WeakPolarHBondContact O-CB 3.31Å; V639-T643 VanDerWaalsContact O-CG2 3.32Å; V639-T643 WeakPolarHBondContact O-CG2 3.32Å; V639-T643 PolarHBondContact O-N 3.4Å; V639-T643 PolarHBondContact O-OG1 3.37Å
640	L	87.3	Confident	81.3	Confident	97 Å²	97	93.9 Å²	93.9	51%	0.508	51%	0.512	S	S	.	.	H	α-helix	trans	-64.6	-37.9	174	-72	175.4	0	0	0	112	L636 L637 T643 Y644	L636-L640 HydrophobicContact CD2-CD1 3.69Å; L636-L640 PolarHBondContact O-N 3.39Å; L636-L640 WeakPolarHBondContact O-CG 3.34Å; L636-L640 VanDerWaalsContact O-CG 3.32Å; L636-L640 WeakPolarHBondContact O-CB 3.35Å; L636-L640 HydrophobicContact CD2-CG 4.15Å; L637-L640 PolarHBondContact O-N 2.94Å; L640-T643 WeakPolarHBondContact CA-OG1 3.21Å; L640-T643 PolarHBondContact O-OG1 3.44Å; L640-Y644 VanDerWaalsContact O-CB 3.24Å; L640-Y644 WeakPolarHBondContact O-CB 3.45Å; L640-Y644 PolarHBondContact O-N 3.34Å
641	G	86.8	Confident	80.8	Confident	40 Å²	40	99 Å²	99	41%	0.412	52%	0.524	S	S	.	.	H	α-helix	trans	-64.9	-44.7	174.3	0	0	0	0	0	112.5	L637 C638 V639 Y644 A645	L637-G641 PolarHBondContact O-N 2.84Å; C638-G641 PolarHBondContact O-N 3.07Å; V639-G641 VanDerWaalsContact C-N 3.34Å; G641-Y644 PolarHBondContact O-N 2.93Å; G641-A645 WeakPolarHBondContact O-CB 3.42Å; G641-A645 PolarHBondContact O-N 2.83Å
642	L	85.7	Confident	79.9	Confident	114 Å²	114	102.4 Å²	102.4	60%	0.597	53%	0.533	S	S	*	.	H	α-helix	trans	-65.8	-42.6	176.9	-75.5	170.6	0	0	0	112	C638 V639 A645 L646	C638-L642 WeakPolarHBondContact O-CB 3.36Å; C638-L642 PolarHBondContact O-N 3.5Å; C638-L642 WeakPolarHBondContact O-CG 3.17Å; V639-L642 PolarHBondContact O-N 3.06Å; L642-A645 PolarHBondContact O-N 2.98Å; L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CB 3.47Å; L642-L646 PolarHBondContact O-N 3.03Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å
643	T	83.3	Confident	78.5	Confident	65 Å²	65	102.2 Å²	102.2	40%	0.399	54%	0.544	S	S	.	.	H	α-helix	trans	-66.3	-40.1	175.9	51.9	0	0	0	0	111.4	V639 L640 L646 V647	V639-T643 HydrophobicContact CG1-CG2 4.44Å; V639-T643 WeakPolarHBondContact O-CB 3.31Å; V639-T643 VanDerWaalsContact O-CG2 3.32Å; V639-T643 WeakPolarHBondContact O-CG2 3.32Å; V639-T643 PolarHBondContact O-N 3.4Å; V639-T643 PolarHBondContact O-OG1 3.37Å; L640-T643 WeakPolarHBondContact CA-OG1 3.21Å; L640-T643 PolarHBondContact O-OG1 3.44Å; T643-L646 PolarHBondContact O-N 3.2Å; T643-V647 WeakPolarHBondContact O-CB 3.47Å; T643-V647 VanDerWaalsContact O-CG2 3.26Å; T643-V647 WeakPolarHBondContact O-CG2 3.5Å; T643-V647 PolarHBondContact O-N 3.11Å
644	Y	83.1	Confident	77.1	Confident	150 Å²	150	101.5 Å²	101.5	59%	0.588	55%	0.552	S	S	*	*	H	α-helix	trans	-61.4	-43.2	172.2	-179.7	-94.9	0	0	0	112.1	L640 G641 V647 Q648	L640-Y644 VanDerWaalsContact O-CB 3.24Å; L640-Y644 WeakPolarHBondContact O-CB 3.45Å; L640-Y644 PolarHBondContact O-N 3.34Å; G641-Y644 PolarHBondContact O-N 2.93Å; Y644-V647 PolarHBondContact O-N 3.33Å; Y644-Q648 HydrophobicContact CE2-CG 4.39Å; Y644-Q648 PolarHBondContact OH-NE2 3.26Å; Y644-Q648 PolarHBondContact O-N 3.41Å; Y644-Q648 WeakPolarHBondContact O-CG 3.39Å; Y644-Q648 WeakPolarHBondContact O-CB 3.42Å; Y644-Q648 HydrophobicContact CE1-CG 3.62Å; Y644-Q648 HydrophobicContact CD1-CG 4.12Å
645	A	77.3	Confident	75.5	Confident	46 Å²	46	101.1 Å²	101.1	38%	0.38	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-44.2	176.5	0	0	0	0	0	111.5	G641 L642 V647 Q648 M649	G641-A645 WeakPolarHBondContact O-CB 3.42Å; G641-A645 PolarHBondContact O-N 2.83Å; L642-A645 PolarHBondContact O-N 2.98Å; A645-V647 PolarHBondContact O-N 3.48Å; A645-Q648 PolarHBondContact O-N 3Å; A645-M649 PolarHBondContact O-N 2.9Å; A645-M649 VanDerWaalsContact O-CG 3.24Å; A645-M649 WeakPolarHBondContact O-CB 3.34Å; A645-M649 WeakPolarHBondContact O-CG 3.47Å
646	L	79.4	Confident	74	Confident	110 Å²	110	107.3 Å²	107.3	58%	0.576	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-41.4	175.6	-72.5	170.4	0	0	0	111.9	L642 T643 M649 Q650	L642-L646 VanDerWaalsContact O-CG 3.27Å; L642-L646 WeakPolarHBondContact O-CB 3.47Å; L642-L646 PolarHBondContact O-N 3.03Å; L642-L646 WeakPolarHBondContact O-CG 3.49Å; T643-L646 PolarHBondContact O-N 3.2Å; L646-M649 PolarHBondContact O-N 3.47Å; L646-Q650 WeakPolarHBondContact O-CB 3.32Å; L646-Q650 WeakPolarHBondContact O-CG 3.48Å; L646-Q650 PolarHBondContact O-N 3.45Å
647	V	78.3	Confident	72.2	Confident	65 Å²	65	108.1 Å²	108.1	39%	0.394	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-37.7	175.5	171.3	0	0	0	0	111.4	T643 Y644 A645 Q650 R651	T643-V647 WeakPolarHBondContact O-CB 3.47Å; T643-V647 VanDerWaalsContact O-CG2 3.26Å; T643-V647 WeakPolarHBondContact O-CG2 3.5Å; T643-V647 PolarHBondContact O-N 3.11Å; Y644-V647 PolarHBondContact O-N 3.33Å; A645-V647 PolarHBondContact O-N 3.48Å; V647-Q650 PolarHBondContact O-N 3.49Å; V647-R651 PolarHBondContact O-N 2.97Å; V647-R651 WeakPolarHBondContact O-CG 3.25Å; V647-R651 WeakPolarHBondContact O-CB 3.35Å; V647-R651 HydrophobicContact CG1-CG 4.42Å
648	Q	72.9	Confident	70.4	Confident	57 Å²	57	110.9 Å²	110.9	27%	0.266	60%	0.595	S	S	.	*	H	α-helix	trans	-65.6	-39.6	172.5	-83.3	-73	-5.9	0	0	112	Y644 A645 Q650 R651 K652	Y644-Q648 HydrophobicContact CE2-CG 4.39Å; Y644-Q648 PolarHBondContact OH-NE2 3.26Å; Y644-Q648 PolarHBondContact O-N 3.41Å; Y644-Q648 WeakPolarHBondContact O-CG 3.39Å; Y644-Q648 WeakPolarHBondContact O-CB 3.42Å; Y644-Q648 HydrophobicContact CE1-CG 3.62Å; Y644-Q648 HydrophobicContact CD1-CG 4.12Å; A645-Q648 PolarHBondContact O-N 3Å; Q648-Q650 VanDerWaalsContact C-N 3.32Å; Q648-R651 PolarHBondContact O-N 3.22Å; Q648-K652 WeakPolarHBondContact O-CB 3.39Å; Q648-K652 PolarHBondContact O-N 3.22Å; Q648-K652 VanDerWaalsContact OE1-CE 3.3Å
649	M	69.1	Low	68.6	Low	124 Å²	124	115 Å²	115	61%	0.611	61%	0.612	S	S	*	*	H	α-helix	trans	-69.2	-29.1	175	-70.7	-137.1	70.5	0	0	112.8	A645 L646	A645-M649 PolarHBondContact O-N 2.9Å; A645-M649 VanDerWaalsContact O-CG 3.24Å; A645-M649 WeakPolarHBondContact O-CB 3.34Å; A645-M649 WeakPolarHBondContact O-CG 3.47Å; L646-M649 PolarHBondContact O-N 3.47Å
650	Q	68.4	Low	66.4	Low	164 Å²	164	121 Å²	121	77%	0.766	63%	0.626	S	S	*	*	H	α-helix	trans	-79.2	-32.7	172.6	-74.6	-177.1	-15.8	0	0	112.7	L646 V647 Q648	L646-Q650 WeakPolarHBondContact O-CB 3.32Å; L646-Q650 WeakPolarHBondContact O-CG 3.48Å; L646-Q650 PolarHBondContact O-N 3.45Å; V647-Q650 PolarHBondContact O-N 3.49Å; Q648-Q650 VanDerWaalsContact C-N 3.32Å
651	R	67.3	Low	64.6	Low	207 Å²	207	121.6 Å²	121.6	78%	0.781	64%	0.637	S	S	*	*	H	α-helix	trans	-79.3	-30.5	176.8	-76.1	-176.9	178.9	-164.8	0.6	113.3	V647 Q648	V647-R651 PolarHBondContact O-N 2.97Å; V647-R651 WeakPolarHBondContact O-CG 3.25Å; V647-R651 WeakPolarHBondContact O-CB 3.35Å; V647-R651 HydrophobicContact CG1-CG 4.42Å; Q648-R651 PolarHBondContact O-N 3.22Å
652	K	60.9	Low	62.3	Low	147 Å²	147	128.9 Å²	128.9	64%	0.639	66%	0.658	S	S	*	*	S	Bend	trans	-101.3	85	171.6	-63.7	-179.9	179.6	178.3	0	107.7	Q648	Q648-K652 WeakPolarHBondContact O-CB 3.39Å; Q648-K652 PolarHBondContact O-N 3.22Å; Q648-K652 VanDerWaalsContact OE1-CE 3.3Å
653	G	53.9	Low	60.2	Low	66 Å²	66	134 Å²	134	68%	0.68	67%	0.669	S	S	*	*			trans	-41.1	140.7	-179.3	0	0	0	0	0	113.1
654	A	51.8	Low	58.5	Low	83 Å²	83	135.6 Å²	135.6	69%	0.686	68%	0.683	S	S	*	*			trans	-49.7	131.9	-166.6	0	0	0	0	0	113.7	R656	A654-R656 PolarHBondContact O-N 3.35Å
655	P	49.1	Very low	56.6	Low	103 Å²	103	136.3 Å²	136.3	67%	0.669	70%	0.696	S	S	*	*			trans	-62.9	125.3	170.3	23.9	-29.8	0	0	0	109.8	V657	P655-V657 VanDerWaalsContact C-N 3.3Å; P655-V657 PolarHBondContact O-N 3.42Å
656	R	53.1	Low	55.1	Low	240 Å²	240	142.4 Å²	142.4	91%	0.906	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	76.1	180	-68.9	178.8	173.1	171.3	-2.6	111.8	A654	A654-R656 PolarHBondContact O-N 3.35Å
657	V	51.7	Low	53.3	Low	125 Å²	125	145.1 Å²	145.1	76%	0.758	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.2	-13	168.2	-173.1	0	0	0	0	113.5	P655 L659	P655-V657 VanDerWaalsContact C-N 3.3Å; P655-V657 PolarHBondContact O-N 3.42Å; V657-L659 PolarHBondContact O-N 3.38Å
658	L	48.1	Very low	51.4	Low	166 Å²	166	153.9 Å²	153.9	87%	0.869	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	37	179.9	-76.8	167	0	0	0	114.5
659	L	44.6	Very low	50	Low	158 Å²	158	161.1 Å²	161.1	83%	0.827	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106	-0.8	173.9	-100.9	155	0	0	0	113.9	V657	V657-L659 PolarHBondContact O-N 3.38Å
660	Y	43.5	Very low	49	Very low	213 Å²	213	163 Å²	163	84%	0.835	81%	0.81	S	S	*	*	S	Bend	trans	-98.4	-22.8	-176.3	-141.6	-94.1	0	0	0	115.1
661	C	47.9	Very low	48	Very low	110 Å²	110	162.9 Å²	162.9	74%	0.743	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-3.8	-177.5	-77.7	0	0	0	0	115.2
662	K	39.8	Very low	46.9	Very low	193 Å²	193	160.5 Å²	160.5	84%	0.839	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-0.5	-178.3	-136.7	-175.9	-177.6	-176.7	0	114.7
663	R	40.7	Very low	46.1	Very low	222 Å²	222	161.3 Å²	161.3	84%	0.838	82%	0.824	S	S	*	*	S	Bend	trans	-109.1	-6.7	-177.7	-139.6	175.6	-178.8	179	-1.3	114.9
664	S	48	Very low	45.6	Very low	99 Å²	99	167.3 Å²	167.3	69%	0.692	83%	0.833	S	S	*	*	S	Bend	trans	-97.4	-6.6	-175.6	-166.6	0	0	0	0	115.1
665	L	43.5	Very low	45.2	Very low	165 Å²	165	172.9 Å²	172.9	86%	0.864	84%	0.843	S	S	*	*	S	Bend	trans	-104	8	-174.8	-106	154.4	0	0	0	113.9
666	Q	44.9	Very low	44.9	Very low	174 Å²	174	177.9 Å²	177.9	81%	0.813	86%	0.855	S	S	*	*	S	Bend	trans	-113.5	7.2	178.1	-95.1	-178.3	-38	0	0	114.2
667	E	42.4	Very low	44.3	Very low	167 Å²	167	173.1 Å²	173.1	78%	0.78	85%	0.851	S	S	*	*	S	Bend	trans	-116.6	18.7	-178.1	-84.1	-167.9	168.6	0	0	115.7
668	W	38.4	Very low	43.7	Very low	249 Å²	249	177.1 Å²	177.1	94%	0.943	86%	0.859	S	S	*	*			trans	-126.5	73.1	167.4	-76.5	75.9	0	0	0	110.3
669	V	42.3	Very low	43.3	Very low	209 Å²	209	178.1 Å²	178.1	100%	1.267	86%	0.858	S	S	*	*			trans	-79.2	0	146.1	167.5	0	0	0	0	107.7

Retrieved 669 of 669 residues in 1083.9 ms (Link to these results)

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