A0A3Q0KIH7_SCHMA Loading...

Let1/narf-related

AlphaFold DB , UniProt , Accession A0A3Q0KIH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 593 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	33.5	Very low	31	Very low	246 Å²	246	149.1 Å²	149.1	100%	1.212	82%	0.824	S	S	*	*				0	133.2	0	-81.5	174.6	168.2	0	0	108.3
2	S	29.9	Very low	31.3	Very low	115 Å²	115	145.6 Å²	145.6	80%	0.804	82%	0.818	S	S	*	*			trans	-56.9	138.3	-179.1	145.7	0	0	0	0	113
3	A	33.4	Very low	31.6	Very low	97 Å²	97	142.9 Å²	142.9	80%	0.802	81%	0.806	S	S	*	*			trans	-147.3	87.8	143.7	0	0	0	0	0	109	S5	A3-S5 PolarHBondContact O-N 3.27Å
4	K	29.6	Very low	31.3	Very low	206 Å²	206	142.3 Å²	142.3	90%	0.896	80%	0.798	S	S	*	*			trans	-69.2	112.3	156.1	-76.6	179.1	174	-179.5	0	106.9	S6	K4-S6 PolarHBondContact O-N 3.2Å
5	S	34.6	Very low	31.1	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	78%	0.782	S	S	*	*			trans	-93.8	95.2	168.9	61	0	0	0	0	110	A3	A3-S5 PolarHBondContact O-N 3.27Å
6	S	30.5	Very low	31.4	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	78%	0.784	S	S	*	*			trans	35.2	104.6	137.2	57.5	0	0	0	0	119.6	K4 N8	K4-S6 PolarHBondContact O-N 3.2Å; S6-N8 PolarHBondContact O-N 3.04Å
7	D	28.6	Very low	31.6	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	77%	0.771	S	S	*	*			trans	-0.9	99.6	131.2	-62.3	-24.3	0	0	0	116.6	K9	D7-K9 HydrophobicContact CB-CG 4.47Å; D7-K9 PolarHBondContact O-N 2.7Å
8	N	32.7	Very low	31.7	Very low	153 Å²	153	135.5 Å²	135.5	82%	0.818	75%	0.75	S	S	*	*			trans	-83.7	95.8	153.4	-98	-19.6	0	0	0	108.6	S6 F10	S6-N8 PolarHBondContact O-N 3.04Å; N8-F10 PolarHBondContact O-N 3.36Å
9	K	28.3	Very low	31.7	Very low	189 Å²	189	132.6 Å²	132.6	82%	0.822	73%	0.732	S	S	*	*			trans	-70.8	68.1	171.1	-69.9	179.1	176.4	176.6	0	111.5	D7	D7-K9 HydrophobicContact CB-CG 4.47Å; D7-K9 PolarHBondContact O-N 2.7Å
10	F	29.9	Very low	32.1	Very low	187 Å²	187	130.2 Å²	130.2	82%	0.82	72%	0.718	S	S	*	*			trans	-91.2	123.4	157.3	-91.1	-83.9	0	0	0	108.8	N8 S12	N8-F10 PolarHBondContact O-N 3.36Å; F10-S12 PolarHBondContact O-N 3.09Å; F10-S12 VanDerWaalsContact O-N 3.16Å
11	S	30.4	Very low	32.7	Very low	95 Å²	95	126.3 Å²	126.3	66%	0.664	70%	0.696	S	S	*	*			trans	-54.4	118.1	170.5	172.6	0	0	0	0	108.8	V13	S11-V13 PolarHBondContact O-N 3.05Å; S11-V13 WeakPolarHBondContact OG-CG2 3.3Å
12	S	34.6	Very low	33	Very low	107 Å²	107	121.4 Å²	121.4	75%	0.748	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	12.4	179.9	59.1	0	0	0	0	113.8	F10	F10-S12 PolarHBondContact O-N 3.09Å; F10-S12 VanDerWaalsContact O-N 3.16Å
13	V	34.9	Very low	33.3	Very low	111 Å²	111	119.7 Å²	119.7	67%	0.673	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-19.9	-169.1	-179.9	0	0	0	0	112.8	S11	S11-V13 PolarHBondContact O-N 3.05Å; S11-V13 WeakPolarHBondContact OG-CG2 3.3Å
14	I	26.9	Very low	33.3	Very low	134 Å²	134	117.8 Å²	117.8	69%	0.687	63%	0.63	S	S	*	*			trans	-135.7	93.4	-179.5	-49.8	179.2	0	0	0	110.1
15	Q	29.1	Very low	33.4	Very low	119 Å²	119	111.9 Å²	111.9	56%	0.556	61%	0.613	S	S	*	*			trans	-98	129.1	162.8	-69.8	-175.8	-8.5	0	0	107.9	N17 T18	Q15-N17 WeakPolarHBondContact CB-OD1 3.24Å; Q15-N17 PolarHBondContact O-N 3.24Å; Q15-N17 PolarHBondContact O-OD1 2.84Å; Q15-N17 PolarHBondContact OE1-ND2 3.44Å; Q15-T18 PolarHBondContact O-N 2.45Å; Q15-T18 PolarHBondContact O-OG1 2.7Å
16	I	35.1	Very low	33.3	Very low	160 Å²	160	111.1 Å²	111.1	82%	0.821	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-56.4	-10.7	-175.7	-68.5	165.2	0	0	0	113.3	T18	I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 2.95Å
17	N	36.2	Very low	33.5	Very low	106 Å²	106	115.8 Å²	115.8	57%	0.567	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-76.3	2.2	175.7	59.8	1.2	0	0	0	115.4	Q15	Q15-N17 WeakPolarHBondContact CB-OD1 3.24Å; Q15-N17 PolarHBondContact O-N 3.24Å; Q15-N17 PolarHBondContact O-OD1 2.84Å; Q15-N17 PolarHBondContact OE1-ND2 3.44Å
18	T	32.1	Very low	33.9	Very low	62 Å²	62	112.7 Å²	112.7	38%	0.38	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-114.6	9.3	-174	37.8	0	0	0	0	116.7	Q15 I16	Q15-T18 PolarHBondContact O-N 2.45Å; Q15-T18 PolarHBondContact O-OG1 2.7Å; I16-T18 VanDerWaalsContact C-N 3.28Å; I16-T18 PolarHBondContact O-N 2.95Å
19	I	31.7	Very low	34.4	Very low	80 Å²	80	108.1 Å²	108.1	41%	0.41	59%	0.588	S	S	.	*			trans	-105.8	108.4	-178.7	-59.3	174.2	0	0	0	110.2	D21	I19-D21 HydrophobicContact CG2-CB 3.99Å
20	D	40.6	Very low	35.1	Very low	85 Å²	85	105.7 Å²	105.7	46%	0.455	58%	0.583	S	S	.	*			trans	-87.9	107.1	163.6	-143.9	-3.2	0	0	0	105.9	I585	D20-I585 HydrophobicContact CB-CB 3.81Å; D20-I585 HydrophobicContact CB-CD1 3.4Å; D20-I585 HydrophobicContact CB-CG1 3.34Å; D20-I585 HydrophobicContact CB-CG2 4.48Å; D20-I585 VanDerWaalsContact OD2-CB 3.3Å; D20-I585 WeakPolarHBondContact OD2-CB 3.28Å
21	D	44.3	Very low	35.6	Very low	48 Å²	48	100.3 Å²	100.3	26%	0.257	56%	0.559	S	S	.	*			trans	-116.2	16.9	178.4	59.9	6.3	0	0	0	113.5	I19 I23 T83 S84	I19-D21 HydrophobicContact CG2-CB 3.99Å; D21-I23 PolarHBondContact O-N 3.04Å; D21-T83 WeakPolarHBondContact OD1-CG2 3.33Å; D21-T83 WeakPolarHBondContact OD2-CA 3.41Å; D21-T83 WeakPolarHBondContact OD2-CB 3.32Å; D21-S84 PolarHBondContact OD2-N 3.43Å
22	Y	39	Very low	36.5	Very low	144 Å²	144	100.7 Å²	100.7	57%	0.565	56%	0.56	S	S	*	*			trans	-71.7	99.3	169.6	-173.3	-99.3	0	0	0	111.2	A24	Y22-A24 HydrophobicContact CE1-CB 4.43Å
23	I	36.3	Very low	37.3	Very low	79 Å²	79	96.7 Å²	96.7	41%	0.405	53%	0.53	S	S	.	.			trans	-91.8	115.9	170.1	-64.6	163.9	0	0	0	108.2	D21 A77 G80	D21-I23 PolarHBondContact O-N 3.04Å; I23-A77 WeakPolarHBondContact CB-O 3.42Å; I23-A77 HydrophobicContact CD1-CB 3.65Å; I23-A77 WeakPolarHBondContact CG2-O 3Å; I23-G80 WeakPolarHBondContact O-CA 3.48Å
24	A	33	Very low	38.5	Very low	56 Å²	56	100.5 Å²	100.5	46%	0.463	54%	0.538	S	S	.	.			trans	-59.6	139.6	174.5	0	0	0	0	0	110.4	Y22 T26	Y22-A24 HydrophobicContact CE1-CB 4.43Å; A24-T26 PolarHBondContact O-N 2.92Å
25	P	33.4	Very low	40.2	Very low	83 Å²	83	97.8 Å²	97.8	54%	0.539	52%	0.524	S	S	.	.			trans	-67.9	96.5	179.5	25.2	-31.8	0	0	0	110.3
26	T	30.8	Very low	41.9	Very low	93 Å²	93	96.1 Å²	96.1	57%	0.571	52%	0.519	S	S	*	.			trans	-80.5	141	174.1	48.6	0	0	0	0	110.8	A24 A28	A24-T26 PolarHBondContact O-N 2.92Å; T26-A28 PolarHBondContact O-N 3.33Å
27	Q	35.4	Very low	43.4	Very low	197 Å²	197	97.4 Å²	97.4	92%	0.921	52%	0.518	S	S	*	.	S	Bend	trans	-55.7	121	175.4	-66.1	-174.3	-18.6	0	0	110.2
28	A	37.9	Very low	45.1	Very low	78 Å²	78	96.5 Å²	96.5	65%	0.645	52%	0.52	S	S	*	.	S	Bend	trans	53	104.6	-175.8	0	0	0	0	0	113.3	T26 I30	T26-A28 PolarHBondContact O-N 3.33Å; A28-I30 HydrophobicContact CB-CG1 4.34Å; A28-I30 PolarHBondContact O-N 2.83Å
29	C	42.8	Very low	46.7	Very low	57 Å²	57	98.5 Å²	98.5	39%	0.385	52%	0.524	S	S	.	.			trans	-63	84.4	169.3	-173.9	0	0	0	0	110.1	K31 C78	C29-K31 PolarHBondContact O-N 3.46Å; C29-C78 HydrophobicContact CB-CB 3.38Å; C29-C78 WeakPolarHBondContact CB-SG 3.46Å; C29-C78 WeakPolarHBondContact SG-CB 3.49Å; C29-C78 CovalentContact SG-SG 2.01Å; C29-C78 PolarHBondContact SG-SG 2.63Å
30	I	41.8	Very low	48.5	Very low	139 Å²	139	96.9 Å²	96.9	71%	0.713	53%	0.527	S	S	*	.			trans	-87.5	102.7	170.4	-59.2	175.6	0	0	0	105.9	A28 P32	A28-I30 HydrophobicContact CB-CG1 4.34Å; A28-I30 PolarHBondContact O-N 2.83Å; I30-P32 WeakPolarHBondContact O-CD 3.34Å
31	K	41.5	Very low	50.1	Low	73 Å²	73	100.3 Å²	100.3	32%	0.317	54%	0.538	S	S	.	.			trans	-69.4	111	164.3	-173.1	170.7	-175.8	170.8	0	107	C29 V33 A68 S69 D74	C29-K31 PolarHBondContact O-N 3.46Å; K31-V33 PolarHBondContact O-N 3.17Å; K31-A68 HydrophobicContact CD-CB 4.39Å; K31-A68 HydrophobicContact CG-CB 4.48Å; K31-S69 PolarHBondContact NZ-O 3Å; K31-D74 VanDerWaalsContact NZ-CG 3.34Å; K31-D74 IonicContact NZ-OD1 3.34Å; K31-D74 PolarHBondContact NZ-OD1 3.19Å; K31-D74 IonicContact NZ-OD2 3.96Å; K31-D74 PolarHBondContact NZ-OD2 3.12Å
32	P	48.3	Very low	51.4	Low	104 Å²	104	99.8 Å²	99.8	68%	0.675	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-63.5	131.9	179.1	-11.9	26.3	0	0	0	108.3	I30 K34	I30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-K34 PolarHBondContact O-N 2.76Å
33	V	52.9	Low	53	Low	22 Å²	22	102.3 Å²	102.3	13%	0.133	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-60	125.2	172.3	-177.6	0	0	0	0	107.8	K31 I35 Y53 L65 Q66 A68	K31-V33 PolarHBondContact O-N 3.17Å; V33-I35 PolarHBondContact O-N 3.18Å; V33-I35 VanDerWaalsContact O-N 3.13Å; V33-Y53 HydrophobicContact CG2-CD1 4.23Å; V33-Y53 HydrophobicContact CG2-CD2 3.96Å; V33-Y53 HydrophobicContact CG2-CE1 4.36Å; V33-Y53 HydrophobicContact CG2-CE2 4.13Å; V33-Y53 HydrophobicContact CG2-CG 4.03Å; V33-L65 HydrophobicContact CB-CD1 4.31Å; V33-L65 HydrophobicContact CG1-CB 3.55Å; V33-L65 HydrophobicContact CG1-CD1 3.9Å; V33-L65 HydrophobicContact CG1-CG 4.24Å; V33-Q66 VanDerWaalsContact CG1-O 3.24Å; V33-Q66 WeakPolarHBondContact CG1-O 3.49Å; V33-A68 HydrophobicContact CG2-CB 4.42Å
34	K	58.5	Low	54.8	Low	192 Å²	192	100.8 Å²	100.8	84%	0.835	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-63.5	117.6	-179.5	-77.1	-174.6	179.2	179.4	0	108.9	P32	P32-K34 PolarHBondContact O-N 2.76Å
35	I	63.3	Low	56.7	Low	76 Å²	76	101.3 Å²	101.3	39%	0.39	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-81.5	117.5	172.6	-61.7	178.6	0	0	0	107.5	V33 K37 T42 V45 Y63	V33-I35 PolarHBondContact O-N 3.18Å; V33-I35 VanDerWaalsContact O-N 3.13Å; I35-K37 PolarHBondContact O-N 2.83Å; I35-T42 HydrophobicContact CD1-CG2 4.29Å; I35-T42 WeakPolarHBondContact CG2-OG1 3.24Å; I35-V45 HydrophobicContact CD1-CG2 4.19Å; I35-Y63 WeakPolarHBondContact CG2-OH 2.92Å
36	D	64.5	Low	58.4	Low	84 Å²	84	102.7 Å²	102.7	45%	0.449	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-67.6	121.6	171.5	-173.9	-0.8	0	0	0	109.7	S38 F39	D36-S38 PolarHBondContact O-N 2.99Å; D36-S38 VanDerWaalsContact OD1-CB 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.47Å; D36-S38 PolarHBondContact OD1-N 2.84Å; D36-S38 PolarHBondContact OD1-OG 3.13Å; D36-S38 VanDerWaalsContact OD1-OG 3.04Å; D36-S38 PolarHBondContact OD2-OG 3.44Å; D36-F39 HydrophobicContact CB-CD2 3.94Å; D36-F39 HydrophobicContact CB-CE2 4.1Å; D36-F39 WeakPolarHBondContact OD2-CE2 3.46Å
37	K	67.7	Low	60.2	Low	187 Å²	187	102.8 Å²	102.8	81%	0.813	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-75.2	-11.8	179.8	-66.2	-176.9	179.9	178.6	0	112.6	I35 F39 G40	I35-K37 PolarHBondContact O-N 2.83Å; K37-F39 PolarHBondContact O-N 3.23Å; K37-G40 PolarHBondContact O-N 2.73Å
38	S	72.1	Confident	61.9	Low	87 Å²	87	97 Å²	97	61%	0.608	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-60.6	-26.7	177.3	71	0	0	0	0	112.7	D36 G40	D36-S38 PolarHBondContact O-N 2.99Å; D36-S38 VanDerWaalsContact OD1-CB 3.3Å; D36-S38 WeakPolarHBondContact OD1-CB 3.47Å; D36-S38 PolarHBondContact OD1-N 2.84Å; D36-S38 PolarHBondContact OD1-OG 3.13Å; D36-S38 VanDerWaalsContact OD1-OG 3.04Å; D36-S38 PolarHBondContact OD2-OG 3.44Å; S38-G40 VanDerWaalsContact C-N 3.35Å
39	F	65.1	Low	63.1	Low	105 Å²	105	103.2 Å²	103.2	46%	0.461	53%	0.525	S	S	.	.	G	3₁₀ helix	trans	-88.8	9.8	179.4	-60.9	-83	0	0	0	114.3	D36 K37 T57 Y63	D36-F39 HydrophobicContact CB-CD2 3.94Å; D36-F39 HydrophobicContact CB-CE2 4.1Å; D36-F39 WeakPolarHBondContact OD2-CE2 3.46Å; K37-F39 PolarHBondContact O-N 3.23Å; F39-T57 VanDerWaalsContact O-CG2 3.24Å; F39-T57 WeakPolarHBondContact O-CG2 3.26Å; F39-Y63 HydrophobicContact CB-CD1 4.06Å; F39-Y63 HydrophobicContact CB-CE1 3.76Å; F39-Y63 HydrophobicContact CB-CE2 4.29Å; F39-Y63 HydrophobicContact CB-CG 4.48Å; F39-Y63 HydrophobicContact CD1-CD1 4.48Å; F39-Y63 HydrophobicContact CD1-CG 4.33Å; F39-Y63 AromaticContact CD2-CD2 3.89Å; F39-Y63 HydrophobicContact CD2-CD2 3.89Å; F39-Y63 AromaticContact CD2-CE2 3.84Å; F39-Y63 HydrophobicContact CD2-CE2 3.84Å; F39-Y63 HydrophobicContact CD2-CG 4.32Å; F39-Y63 HydrophobicContact CE2-CD2 4.22Å; F39-Y63 HydrophobicContact CG-CD1 4.18Å; F39-Y63 HydrophobicContact CG-CD2 4.14Å; F39-Y63 HydrophobicContact CG-CE1 4.27Å; F39-Y63 HydrophobicContact CG-CE2 4.19Å; F39-Y63 HydrophobicContact CG-CG 4.12Å
40	G	68.6	Low	64.2	Low	45 Å²	45	106.5 Å²	106.5	46%	0.464	54%	0.539	S	S	.	.			trans	84.4	-160.9	-179.4	0	0	0	0	0	114.1	K37 S38 T42	K37-G40 PolarHBondContact O-N 2.73Å; S38-G40 VanDerWaalsContact C-N 3.35Å; G40-T42 PolarHBondContact O-N 2.81Å
41	K	74.5	Confident	65	Low	157 Å²	157	102.1 Å²	102.1	68%	0.683	53%	0.528	S	S	*	.			trans	-80.1	117.6	-178.6	-75.2	-175.6	-178.4	176.4	0	111	T57 E58	K41-T57 WeakPolarHBondContact O-CA 3.46Å; K41-E58 PolarHBondContact O-N 3.14Å
42	T	71.2	Confident	66	Low	38 Å²	38	100.3 Å²	100.3	23%	0.233	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	126.9	175.2	-46.2	0	0	0	0	111.2	I35 G40 V45 A55 Y63	I35-T42 HydrophobicContact CD1-CG2 4.29Å; I35-T42 WeakPolarHBondContact CG2-OG1 3.24Å; G40-T42 PolarHBondContact O-N 2.81Å; T42-V45 HydrophobicContact CG2-CG2 4.17Å; T42-A55 HydrophobicContact CG2-CB 3.75Å; T42-Y63 PolarHBondContact OG1-OH 2.81Å
43	R	72.2	Confident	67.1	Low	196 Å²	196	99.6 Å²	99.6	74%	0.74	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	-40.2	179.4	-175.9	-176.8	-179.2	-156	0.9	112.7	V56 E58	R43-V56 WeakPolarHBondContact CA-O 3.42Å; R43-V56 WeakPolarHBondContact CB-O 3.48Å; R43-V56 PolarHBondContact N-O 3.31Å; R43-E58 HydrophobicContact CB-CG 4.31Å
44	S	75.1	Confident	68.1	Low	47 Å²	47	99.5 Å²	99.5	33%	0.329	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	154.8	177.4	54.7	0	0	0	0	112	V56	S44-V56 PolarHBondContact N-O 3.15Å; S44-V56 PolarHBondContact O-N 2.82Å
45	V	72.6	Confident	68.9	Low	67 Å²	67	90.4 Å²	90.4	41%	0.406	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.5	172.9	179.9	0	0	0	0	107.9	I35 T42 Y53 T54 A55 L65	I35-V45 HydrophobicContact CD1-CG2 4.19Å; T42-V45 HydrophobicContact CG2-CG2 4.17Å; V45-Y53 HydrophobicContact CG1-CD1 4.03Å; V45-T54 CarbonylContact C-O 3.55Å; V45-T54 WeakPolarHBondContact CA-O 3.17Å; V45-A55 HydrophobicContact CG2-CB 4.42Å; V45-L65 HydrophobicContact CG1-CD1 3.72Å; V45-L65 HydrophobicContact CG2-CD1 4.09Å
46	K	69.3	Low	69.6	Low	113 Å²	113	87.7 Å²	87.7	49%	0.491	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	149.6	177.7	-66.8	-173.3	177.4	-171.4	0	110.1	Y53 T54	K46-Y53 CarbonylContact O-C 3.41Å; K46-Y53 WeakPolarHBondContact O-CA 3.46Å; K46-T54 PolarHBondContact N-O 2.89Å; K46-T54 PolarHBondContact O-N 2.62Å
47	V	68.6	Low	70.3	Confident	95 Å²	95	83.9 Å²	83.9	58%	0.576	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	119.7	169.2	-174.5	0	0	0	0	106.5	S52 Y53	V47-S52 WeakPolarHBondContact CA-O 3.47Å; V47-Y53 HydrophobicContact CG2-CD1 3.87Å; V47-Y53 HydrophobicContact CG2-CE1 3.58Å
48	E	70.4	Confident	70.9	Confident	74 Å²	74	81.5 Å²	81.5	35%	0.346	43%	0.427	S	S	.	.			trans	-81.3	167	177.5	-57.8	-65.9	169.7	0	0	110.4	D50 G51 S52 T54	E48-D50 WeakPolarHBondContact CB-OD1 3.37Å; E48-D50 PolarHBondContact O-N 2.9Å; E48-D50 VanDerWaalsContact O-N 3.17Å; E48-G51 PolarHBondContact O-N 3.13Å; E48-S52 PolarHBondContact N-O 2.59Å; E48-T54 HydrophobicContact CG-CG2 3.79Å; E48-T54 PolarHBondContact OE1-OG1 3.17Å
49	E	64	Low	71.3	Confident	209 Å²	209	83.6 Å²	83.6	98%	0.977	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.3	-177.3	-66.8	-177.7	171.9	0	0	113.7	G51	E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.34Å
50	D	66.3	Low	71.9	Confident	127 Å²	127	80.9 Å²	80.9	68%	0.679	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	1.1	175.6	70.5	-8.4	0	0	0	113.7	E48 S52	E48-D50 WeakPolarHBondContact CB-OD1 3.37Å; E48-D50 PolarHBondContact O-N 2.9Å; E48-D50 VanDerWaalsContact O-N 3.17Å; D50-S52 VanDerWaalsContact C-N 3.28Å; D50-S52 PolarHBondContact O-N 2.99Å; D50-S52 WeakPolarHBondContact OD1-CB 3.36Å; D50-S52 PolarHBondContact OD1-N 3.4Å; D50-S52 PolarHBondContact OD1-OG 2.92Å; D50-S52 PolarHBondContact OD2-OG 3.39Å
51	G	58.6	Low	72.4	Confident	46 Å²	46	81.5 Å²	81.5	47%	0.474	43%	0.43	S	S	.	.	S	Bend	trans	77.9	6.4	-177.3	0	0	0	0	0	114.5	E48 E49	E48-G51 PolarHBondContact O-N 3.13Å; E49-G51 VanDerWaalsContact C-N 3.27Å; E49-G51 PolarHBondContact O-N 3.34Å
52	S	62.3	Low	72.8	Confident	35 Å²	35	80.9 Å²	80.9	25%	0.245	43%	0.428	C	S	.	.			trans	-74.8	156.1	170	72.4	0	0	0	0	111.2	V47 E48 D50	V47-S52 WeakPolarHBondContact CA-O 3.47Å; E48-S52 PolarHBondContact N-O 2.59Å; D50-S52 VanDerWaalsContact C-N 3.28Å; D50-S52 PolarHBondContact O-N 2.99Å; D50-S52 WeakPolarHBondContact OD1-CB 3.36Å; D50-S52 PolarHBondContact OD1-N 3.4Å; D50-S52 PolarHBondContact OD1-OG 2.92Å; D50-S52 PolarHBondContact OD2-OG 3.39Å
53	Y	70.6	Confident	73.2	Confident	90 Å²	90	80.2 Å²	80.2	35%	0.353	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.6	177.1	-68.1	-97.1	0	0	0	109.3	V33 V45 K46 V47 L65	V33-Y53 HydrophobicContact CG2-CD1 4.23Å; V33-Y53 HydrophobicContact CG2-CD2 3.96Å; V33-Y53 HydrophobicContact CG2-CE1 4.36Å; V33-Y53 HydrophobicContact CG2-CE2 4.13Å; V33-Y53 HydrophobicContact CG2-CG 4.03Å; V45-Y53 HydrophobicContact CG1-CD1 4.03Å; K46-Y53 CarbonylContact O-C 3.41Å; K46-Y53 WeakPolarHBondContact O-CA 3.46Å; V47-Y53 HydrophobicContact CG2-CD1 3.87Å; V47-Y53 HydrophobicContact CG2-CE1 3.58Å; Y53-L65 PolarHBondContact O-N 3.35Å
54	T	74.7	Confident	73.4	Confident	20 Å²	20	75 Å²	75	12%	0.123	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.1	174.3	46.7	0	0	0	0	110.1	V45 K46 E48 Y63	V45-T54 CarbonylContact C-O 3.55Å; V45-T54 WeakPolarHBondContact CA-O 3.17Å; K46-T54 PolarHBondContact N-O 2.89Å; K46-T54 PolarHBondContact O-N 2.62Å; E48-T54 HydrophobicContact CG-CG2 3.79Å; E48-T54 PolarHBondContact OE1-OG1 3.17Å; T54-Y63 WeakPolarHBondContact CA-O 3.47Å
55	A	75.5	Confident	72.9	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.6	175.1	0	0	0	0	0	110.1	T42 V45 K62 Y63 L65	T42-A55 HydrophobicContact CG2-CB 3.75Å; V45-A55 HydrophobicContact CG2-CB 4.42Å; A55-K62 WeakPolarHBondContact O-CA 3.4Å; A55-Y63 HydrophobicContact CB-CD1 4.03Å; A55-Y63 HydrophobicContact CB-CD2 4.19Å; A55-Y63 HydrophobicContact CB-CE1 3.5Å; A55-Y63 HydrophobicContact CB-CE2 3.73Å; A55-Y63 HydrophobicContact CB-CG 4.35Å; A55-Y63 PolarHBondContact N-O 3.2Å; A55-Y63 PolarHBondContact O-N 3.24Å; A55-L65 HydrophobicContact CB-CD1 4.05Å; A55-L65 HydrophobicContact CB-CD2 3.99Å; A55-L65 HydrophobicContact CB-CG 3.92Å
56	V	78.5	Confident	72.4	Confident	19 Å²	19	78.5 Å²	78.5	12%	0.115	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.3	172.6	-167.5	0	0	0	0	108.2	R43 S44 S61 K62	R43-V56 WeakPolarHBondContact CA-O 3.42Å; R43-V56 WeakPolarHBondContact CB-O 3.48Å; R43-V56 PolarHBondContact N-O 3.31Å; S44-V56 PolarHBondContact N-O 3.15Å; S44-V56 PolarHBondContact O-N 2.82Å; V56-S61 WeakPolarHBondContact CA-O 3.39Å; V56-K62 HydrophobicContact CG1-CG 4.49Å; V56-K62 HydrophobicContact CG2-CG 4.16Å
57	T	79.2	Confident	71.7	Confident	4 Å²	4	82.4 Å²	82.4	3%	0.025	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	171.3	174.1	53	0	0	0	0	112	F39 K41 D59 G60 S61 Y63	F39-T57 VanDerWaalsContact O-CG2 3.24Å; F39-T57 WeakPolarHBondContact O-CG2 3.26Å; K41-T57 WeakPolarHBondContact O-CA 3.46Å; T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 WeakPolarHBondContact CB-OD1 3.43Å; T57-D59 PolarHBondContact O-N 2.76Å; T57-D59 PolarHBondContact OG1-OD1 3.48Å; T57-G60 PolarHBondContact O-N 3.21Å; T57-S61 PolarHBondContact N-O 2.95Å; T57-S61 PolarHBondContact OG1-N 3.46Å; T57-S61 VanDerWaalsContact OG1-N 3.09Å; T57-S61 PolarHBondContact OG1-O 3.18Å; T57-S61 PolarHBondContact OG1-OG 3.03Å; T57-Y63 HydrophobicContact CG2-CD1 4.17Å; T57-Y63 HydrophobicContact CG2-CE1 3.71Å
58	E	79.3	Confident	70.8	Confident	137 Å²	137	79.6 Å²	79.6	64%	0.64	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	173.6	-75	-178.8	173.4	0	0	113.6	K41 R43 G60	K41-E58 PolarHBondContact O-N 3.14Å; R43-E58 HydrophobicContact CB-CG 4.31Å; E58-G60 PolarHBondContact O-N 2.89Å
59	D	80.7	Confident	69.7	Low	132 Å²	132	80.6 Å²	80.6	71%	0.706	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-2	177.5	68.6	4.1	0	0	0	113.8	T57 S61	T57-D59 VanDerWaalsContact C-N 3.29Å; T57-D59 WeakPolarHBondContact CB-OD1 3.43Å; T57-D59 PolarHBondContact O-N 2.76Å; T57-D59 PolarHBondContact OG1-OD1 3.48Å; D59-S61 WeakPolarHBondContact OD1-CB 3.25Å; D59-S61 PolarHBondContact OD1-N 3.49Å; D59-S61 PolarHBondContact OD1-OG 2.7Å
60	G	78.1	Confident	68.7	Low	48 Å²	48	75.8 Å²	75.8	50%	0.495	42%	0.42	S	S	.	.	S	Bend	trans	87.2	-0.8	177.8	0	0	0	0	0	114.9	T57 E58	T57-G60 PolarHBondContact O-N 3.21Å; E58-G60 PolarHBondContact O-N 2.89Å
61	S	79.8	Confident	67.9	Low	58 Å²	58	72 Å²	72	41%	0.406	40%	0.404	S	S	.	.			trans	-68.4	144.1	172.9	62.6	0	0	0	0	111.8	V56 T57 D59	V56-S61 WeakPolarHBondContact CA-O 3.39Å; T57-S61 PolarHBondContact N-O 2.95Å; T57-S61 PolarHBondContact OG1-N 3.46Å; T57-S61 VanDerWaalsContact OG1-N 3.09Å; T57-S61 PolarHBondContact OG1-O 3.18Å; T57-S61 PolarHBondContact OG1-OG 3.03Å; D59-S61 WeakPolarHBondContact OD1-CB 3.25Å; D59-S61 PolarHBondContact OD1-N 3.49Å; D59-S61 PolarHBondContact OD1-OG 2.7Å
62	K	81.4	Confident	67.4	Low	143 Å²	143	72.4 Å²	72.4	62%	0.622	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.8	-178.1	-62.2	-169.6	-179.3	178.1	0	110.5	A55 V56	A55-K62 WeakPolarHBondContact O-CA 3.4Å; V56-K62 HydrophobicContact CG1-CG 4.49Å; V56-K62 HydrophobicContact CG2-CG 4.16Å
63	Y	80.5	Confident	66.7	Low	24 Å²	24	74.7 Å²	74.7	9%	0.094	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.3	173	62.7	-79.5	0	0	0	111.2	I35 F39 T42 T54 A55 T57 L65	I35-Y63 WeakPolarHBondContact CG2-OH 2.92Å; F39-Y63 HydrophobicContact CB-CD1 4.06Å; F39-Y63 HydrophobicContact CB-CE1 3.76Å; F39-Y63 HydrophobicContact CB-CE2 4.29Å; F39-Y63 HydrophobicContact CB-CG 4.48Å; F39-Y63 HydrophobicContact CD1-CD1 4.48Å; F39-Y63 HydrophobicContact CD1-CG 4.33Å; F39-Y63 AromaticContact CD2-CD2 3.89Å; F39-Y63 HydrophobicContact CD2-CD2 3.89Å; F39-Y63 AromaticContact CD2-CE2 3.84Å; F39-Y63 HydrophobicContact CD2-CE2 3.84Å; F39-Y63 HydrophobicContact CD2-CG 4.32Å; F39-Y63 HydrophobicContact CE2-CD2 4.22Å; F39-Y63 HydrophobicContact CG-CD1 4.18Å; F39-Y63 HydrophobicContact CG-CD2 4.14Å; F39-Y63 HydrophobicContact CG-CE1 4.27Å; F39-Y63 HydrophobicContact CG-CE2 4.19Å; F39-Y63 HydrophobicContact CG-CG 4.12Å; T42-Y63 PolarHBondContact OG1-OH 2.81Å; T54-Y63 WeakPolarHBondContact CA-O 3.47Å; A55-Y63 HydrophobicContact CB-CD1 4.03Å; A55-Y63 HydrophobicContact CB-CD2 4.19Å; A55-Y63 HydrophobicContact CB-CE1 3.5Å; A55-Y63 HydrophobicContact CB-CE2 3.73Å; A55-Y63 HydrophobicContact CB-CG 4.35Å; A55-Y63 PolarHBondContact N-O 3.2Å; A55-Y63 PolarHBondContact O-N 3.24Å; T57-Y63 HydrophobicContact CG2-CD1 4.17Å; T57-Y63 HydrophobicContact CG2-CE1 3.71Å; Y63-L65 HydrophobicContact CD2-CD2 4.2Å; Y63-L65 HydrophobicContact CE2-CD2 3.61Å
64	S	75.2	Confident	65.5	Low	87 Å²	87	72.4 Å²	72.4	61%	0.608	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	132.2	178.6	-174.7	0	0	0	0	110.1
65	L	65.7	Low	64.4	Low	12 Å²	12	75 Å²	75	6%	0.063	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	140.1	176.2	-64.8	173	0	0	0	110.1	V33 V45 Y53 A55 Y63 K67	V33-L65 HydrophobicContact CB-CD1 4.31Å; V33-L65 HydrophobicContact CG1-CB 3.55Å; V33-L65 HydrophobicContact CG1-CD1 3.9Å; V33-L65 HydrophobicContact CG1-CG 4.24Å; V45-L65 HydrophobicContact CG1-CD1 3.72Å; V45-L65 HydrophobicContact CG2-CD1 4.09Å; Y53-L65 PolarHBondContact O-N 3.35Å; A55-L65 HydrophobicContact CB-CD1 4.05Å; A55-L65 HydrophobicContact CB-CD2 3.99Å; A55-L65 HydrophobicContact CB-CG 3.92Å; Y63-L65 HydrophobicContact CD2-CD2 4.2Å; Y63-L65 HydrophobicContact CE2-CD2 3.61Å; L65-K67 PolarHBondContact O-N 3.23Å
66	Q	61.9	Low	63	Low	176 Å²	176	76.2 Å²	76.2	82%	0.822	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-62.3	134.8	175.2	-71.4	-176.1	-14.6	0	0	110.9	V33 A68	V33-Q66 VanDerWaalsContact CG1-O 3.24Å; V33-Q66 WeakPolarHBondContact CG1-O 3.49Å; Q66-A68 PolarHBondContact O-N 3.16Å
67	K	55.5	Low	61.3	Low	195 Å²	195	76.6 Å²	76.6	85%	0.848	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.6	124.5	174.4	-168	173.5	-176.2	174.4	0	109.2	L65 S69	L65-K67 PolarHBondContact O-N 3.23Å; K67-S69 PolarHBondContact O-N 2.69Å; K67-S69 VanDerWaalsContact O-N 3.15Å
68	A	48.8	Very low	59.5	Low	35 Å²	35	77.9 Å²	77.9	29%	0.289	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-62.9	118.5	176.1	0	0	0	0	0	109.3	K31 V33 Q66 I70	K31-A68 HydrophobicContact CD-CB 4.39Å; K31-A68 HydrophobicContact CG-CB 4.48Å; V33-A68 HydrophobicContact CG2-CB 4.42Å; Q66-A68 PolarHBondContact O-N 3.16Å; A68-I70 PolarHBondContact O-N 3.3Å
69	S	46.2	Very low	57.9	Low	95 Å²	95	74.5 Å²	74.5	66%	0.664	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-76.3	121.7	165.9	59.2	0	0	0	0	108.3	K31 K67	K31-S69 PolarHBondContact NZ-O 3Å; K67-S69 PolarHBondContact O-N 2.69Å; K67-S69 VanDerWaalsContact O-N 3.15Å
70	I	44.8	Very low	56.4	Low	108 Å²	108	69.2 Å²	69.2	55%	0.554	41%	0.405	S	S	*	.			trans	-88.6	110.3	171.2	-61.4	172.1	0	0	0	105.6	A68 D74	A68-I70 PolarHBondContact O-N 3.3Å; I70-D74 HydrophobicContact CG2-CB 4Å
71	S	48.4	Very low	55.3	Low	49 Å²	49	68.4 Å²	68.4	34%	0.343	39%	0.392	S	S	.	.			trans	-78.5	160.9	171	66.8	0	0	0	0	110	N73 D74 C75	S71-N73 PolarHBondContact O-N 3.42Å; S71-D74 WeakPolarHBondContact CB-OD2 3.36Å; S71-D74 PolarHBondContact N-OD2 2.73Å; S71-D74 WeakPolarHBondContact O-CB 3.37Å; S71-D74 PolarHBondContact O-N 3.4Å; S71-D74 VanDerWaalsContact OG-CG 3.31Å; S71-D74 PolarHBondContact OG-N 3.48Å; S71-D74 PolarHBondContact OG-OD2 2.97Å; S71-C75 PolarHBondContact O-N 2.81Å
72	L	47.8	Very low	54.2	Low	53 Å²	53	66.4 Å²	66.4	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-52.7	-37.1	172.7	-155.9	88.9	0	0	0	111	D74 C75 L76 I90 F279	L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.73Å; L72-C75 PolarHBondContact O-N 3.33Å; L72-L76 HydrophobicContact CB-CD1 4.41Å; L72-L76 HydrophobicContact CD2-CD1 3.46Å; L72-L76 VanDerWaalsContact CD2-CD1 3.46Å; L72-L76 HydrophobicContact CG-CD1 3.5Å; L72-L76 VanDerWaalsContact CG-CD1 3.5Å; L72-L76 HydrophobicContact CG-CG 4.26Å; L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 WeakPolarHBondContact O-CD1 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.75Å; L72-I90 HydrophobicContact CD2-CG2 3.5Å; L72-F279 HydrophobicContact CD1-CD1 3.9Å; L72-F279 HydrophobicContact CD1-CD2 3.87Å; L72-F279 HydrophobicContact CD1-CE1 3.67Å; L72-F279 HydrophobicContact CD1-CE2 3.63Å; L72-F279 HydrophobicContact CD1-CG 3.99Å; L72-F279 HydrophobicContact CD1-CZ 3.53Å; L72-F279 HydrophobicContact CD2-CD1 4.36Å
73	N	48.6	Very low	53.2	Low	83 Å²	83	61 Å²	61	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-42.1	176.4	-54.5	2.8	0	0	0	111.3	S71 A77 T87	S71-N73 PolarHBondContact O-N 3.42Å; N73-A77 WeakPolarHBondContact O-CB 3.19Å; N73-A77 PolarHBondContact O-N 3.05Å; N73-T87 WeakPolarHBondContact OD1-CG2 3.19Å
74	D	45.9	Very low	52.4	Low	43 Å²	43	62.8 Å²	62.8	23%	0.23	37%	0.371	C	S	.	.	H	α-helix	trans	-68.5	-40.3	-179.6	-58.7	-65	0	0	0	111.8	K31 I70 S71 L72 C78	K31-D74 VanDerWaalsContact NZ-CG 3.34Å; K31-D74 IonicContact NZ-OD1 3.34Å; K31-D74 PolarHBondContact NZ-OD1 3.19Å; K31-D74 IonicContact NZ-OD2 3.96Å; K31-D74 PolarHBondContact NZ-OD2 3.12Å; I70-D74 HydrophobicContact CG2-CB 4Å; S71-D74 WeakPolarHBondContact CB-OD2 3.36Å; S71-D74 PolarHBondContact N-OD2 2.73Å; S71-D74 WeakPolarHBondContact O-CB 3.37Å; S71-D74 PolarHBondContact O-N 3.4Å; S71-D74 VanDerWaalsContact OG-CG 3.31Å; S71-D74 PolarHBondContact OG-N 3.48Å; S71-D74 PolarHBondContact OG-OD2 2.97Å; L72-D74 VanDerWaalsContact C-N 3.3Å; L72-D74 PolarHBondContact O-N 2.73Å; D74-C78 WeakPolarHBondContact O-CB 3.49Å; D74-C78 PolarHBondContact O-N 3.39Å; D74-C78 PolarHBondContact O-SG 2.95Å
75	C	50.7	Low	51.9	Low	75 Å²	75	61.6 Å²	61.6	51%	0.507	37%	0.367	S	S	.	.	H	α-helix	trans	-68.7	-41.6	178.6	-96.8	0	0	0	0	113	S71 L72	S71-C75 PolarHBondContact O-N 2.81Å; L72-C75 PolarHBondContact O-N 3.33Å
76	L	45	Very low	51.9	Low	25 Å²	25	62.7 Å²	62.7	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-79.7	-34.7	-175.3	-64.8	166.9	0	0	0	112	L72 I82 I90	L72-L76 HydrophobicContact CB-CD1 4.41Å; L72-L76 HydrophobicContact CD2-CD1 3.46Å; L72-L76 VanDerWaalsContact CD2-CD1 3.46Å; L72-L76 HydrophobicContact CG-CD1 3.5Å; L72-L76 VanDerWaalsContact CG-CD1 3.5Å; L72-L76 HydrophobicContact CG-CG 4.26Å; L72-L76 WeakPolarHBondContact O-CB 3.4Å; L72-L76 WeakPolarHBondContact O-CD1 3.35Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 2.75Å; L76-I82 HydrophobicContact CB-CB 3.97Å; L76-I82 HydrophobicContact CB-CD1 3.64Å; L76-I82 HydrophobicContact CB-CG1 3.86Å; L76-I82 HydrophobicContact CD1-CD1 3.74Å; L76-I82 HydrophobicContact CD2-CD1 3.27Å; L76-I82 HydrophobicContact CD2-CG1 4.25Å; L76-I82 HydrophobicContact CG-CD1 3.66Å; L76-I82 HydrophobicContact CG-CG1 4.44Å; L76-I90 HydrophobicContact CD1-CD1 3.93Å
77	A	43	Very low	52.3	Low	27 Å²	27	55.6 Å²	55.6	22%	0.223	34%	0.34	C	S	.	.	H	α-helix	trans	-64.5	-42.8	173.1	0	0	0	0	0	112.2	I23 N73 S79 G80	I23-A77 WeakPolarHBondContact CB-O 3.42Å; I23-A77 HydrophobicContact CD1-CB 3.65Å; I23-A77 WeakPolarHBondContact CG2-O 3Å; N73-A77 WeakPolarHBondContact O-CB 3.19Å; N73-A77 PolarHBondContact O-N 3.05Å; A77-S79 PolarHBondContact O-N 3.5Å; A77-G80 PolarHBondContact O-N 2.77Å
78	C	41.3	Very low	53.2	Low	30 Å²	30	51.2 Å²	51.2	20%	0.203	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-21.5	-176.6	-91.5	0	0	0	0	115.3	C29 D74	C29-C78 HydrophobicContact CB-CB 3.38Å; C29-C78 WeakPolarHBondContact CB-SG 3.46Å; C29-C78 WeakPolarHBondContact SG-CB 3.49Å; C29-C78 CovalentContact SG-SG 2.01Å; C29-C78 PolarHBondContact SG-SG 2.63Å; D74-C78 WeakPolarHBondContact O-CB 3.49Å; D74-C78 PolarHBondContact O-N 3.39Å; D74-C78 PolarHBondContact O-SG 2.95Å
79	S	47.6	Very low	54.4	Low	67 Å²	67	52.6 Å²	52.6	47%	0.469	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.2	173.7	-60.5	0	0	0	0	113.1	A77 C81	A77-S79 PolarHBondContact O-N 3.5Å; S79-C81 PolarHBondContact O-N 3.14Å; S79-C81 PolarHBondContact O-SG 3.44Å
80	G	48.7	Very low	56	Low	21 Å²	21	48.3 Å²	48.3	22%	0.216	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.2	-175.2	0	0	0	0	0	114.3	I23 A77	I23-G80 WeakPolarHBondContact O-CA 3.48Å; A77-G80 PolarHBondContact O-N 2.77Å
81	C	53.6	Low	57.8	Low	31 Å²	31	46.6 Å²	46.6	21%	0.209	29%	0.294	C	S	.	.			trans	-91.4	-26.7	-172.4	-64.6	0	0	0	0	113.3	S79 K226	S79-C81 PolarHBondContact O-N 3.14Å; S79-C81 PolarHBondContact O-SG 3.44Å; C81-K226 PolarHBondContact O-NZ 3.48Å
82	I	57.2	Low	59.6	Low	16 Å²	16	49.5 Å²	49.5	8%	0.082	30%	0.302	C	S	.	.			trans	-129.9	133.2	-162.8	-44.1	-161.9	0	0	0	113	L76 E86 I90 L283	L76-I82 HydrophobicContact CB-CB 3.97Å; L76-I82 HydrophobicContact CB-CD1 3.64Å; L76-I82 HydrophobicContact CB-CG1 3.86Å; L76-I82 HydrophobicContact CD1-CD1 3.74Å; L76-I82 HydrophobicContact CD2-CD1 3.27Å; L76-I82 HydrophobicContact CD2-CG1 4.25Å; L76-I82 HydrophobicContact CG-CD1 3.66Å; L76-I82 HydrophobicContact CG-CG1 4.44Å; I82-E86 WeakPolarHBondContact CA-OE2 3.32Å; I82-E86 HydrophobicContact CG2-CB 3.36Å; I82-E86 HydrophobicContact CG2-CG 4.41Å; I82-E86 WeakPolarHBondContact CG2-OE2 3.48Å; I82-I90 HydrophobicContact CD1-CD1 4.18Å; I82-I90 HydrophobicContact CG2-CD1 4.07Å; I82-L283 HydrophobicContact CD1-CD1 4.02Å; I82-L283 HydrophobicContact CG2-CD1 4.22Å
83	T	61.7	Low	61.8	Low	30 Å²	30	47.6 Å²	47.6	18%	0.184	29%	0.292	C	S	.	.			trans	-85.1	166	179.5	65.3	0	0	0	0	112.5	D21 A85 E86 T87	D21-T83 WeakPolarHBondContact OD1-CG2 3.33Å; D21-T83 WeakPolarHBondContact OD2-CA 3.41Å; D21-T83 WeakPolarHBondContact OD2-CB 3.32Å; T83-A85 VanDerWaalsContact C-N 3.26Å; T83-A85 PolarHBondContact O-N 3.4Å; T83-E86 PolarHBondContact N-OE2 3.44Å; T83-E86 PolarHBondContact O-N 3.04Å; T83-E86 VanDerWaalsContact OG1-CB 3.29Å; T83-E86 WeakPolarHBondContact OG1-CB 3.41Å; T83-E86 VanDerWaalsContact OG1-CD 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.37Å; T83-E86 PolarHBondContact OG1-N 3.44Å; T83-E86 PolarHBondContact OG1-OE2 2.92Å; T83-T87 PolarHBondContact O-N 3.32Å; T83-T87 PolarHBondContact O-OG1 3.38Å
84	S	63.1	Low	63.9	Low	61 Å²	61	44.8 Å²	44.8	43%	0.427	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-36.4	172.8	-62.8	0	0	0	0	111.7	D21 T87 I88	D21-S84 PolarHBondContact OD2-N 3.43Å; S84-T87 WeakPolarHBondContact O-CB 3.12Å; S84-T87 PolarHBondContact O-N 3.34Å; S84-I88 PolarHBondContact O-N 3.16Å
85	A	64.1	Low	66.2	Low	62 Å²	62	44.2 Å²	44.2	51%	0.512	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-44.5	174.7	0	0	0	0	0	111.7	T83 T87 I88 L89	T83-A85 VanDerWaalsContact C-N 3.26Å; T83-A85 PolarHBondContact O-N 3.4Å; A85-T87 PolarHBondContact O-N 3.06Å; A85-I88 WeakPolarHBondContact O-CB 3.18Å; A85-I88 PolarHBondContact O-N 2.82Å; A85-I88 VanDerWaalsContact O-N 3.13Å; A85-L89 PolarHBondContact O-N 2.95Å; A85-L89 VanDerWaalsContact O-N 3.1Å
86	E	66.9	Low	68.3	Low	35 Å²	35	45 Å²	45	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-62.4	-31.9	175.4	-74.7	164.2	-177.7	0	0	111.5	I82 T83 L89 I90 K226 L283	I82-E86 WeakPolarHBondContact CA-OE2 3.32Å; I82-E86 HydrophobicContact CG2-CB 3.36Å; I82-E86 HydrophobicContact CG2-CG 4.41Å; I82-E86 WeakPolarHBondContact CG2-OE2 3.48Å; T83-E86 PolarHBondContact N-OE2 3.44Å; T83-E86 PolarHBondContact O-N 3.04Å; T83-E86 VanDerWaalsContact OG1-CB 3.29Å; T83-E86 WeakPolarHBondContact OG1-CB 3.41Å; T83-E86 VanDerWaalsContact OG1-CD 3.23Å; T83-E86 WeakPolarHBondContact OG1-CG 3.37Å; T83-E86 PolarHBondContact OG1-N 3.44Å; T83-E86 PolarHBondContact OG1-OE2 2.92Å; E86-L89 PolarHBondContact O-N 3.12Å; E86-I90 VanDerWaalsContact O-CG1 3.26Å; E86-I90 WeakPolarHBondContact O-CG1 3.22Å; E86-I90 PolarHBondContact O-N 3.24Å; E86-K226 VanDerWaalsContact OE1-CE 3.23Å; E86-K226 WeakPolarHBondContact OE1-CE 3.32Å; E86-K226 IonicContact OE1-NZ 2.7Å; E86-K226 PolarHBondContact OE1-NZ 2.98Å; E86-K226 IonicContact OE2-NZ 2.91Å; E86-K226 PolarHBondContact OE2-NZ 2.8Å; E86-L283 HydrophobicContact CB-CD1 4.34Å; E86-L283 HydrophobicContact CB-CD2 3.59Å; E86-L283 HydrophobicContact CG-CD2 3.94Å; E86-L283 WeakPolarHBondContact O-CD2 3.49Å
87	T	69.2	Low	70.7	Confident	27 Å²	27	45.8 Å²	45.8	17%	0.166	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-40.9	173.2	-59.2	0	0	0	0	112.5	N73 T83 S84 A85 I90 S91	N73-T87 WeakPolarHBondContact OD1-CG2 3.19Å; T83-T87 PolarHBondContact O-N 3.32Å; T83-T87 PolarHBondContact O-OG1 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.12Å; S84-T87 PolarHBondContact O-N 3.34Å; A85-T87 PolarHBondContact O-N 3.06Å; T87-I90 PolarHBondContact O-N 3.4Å; T87-S91 PolarHBondContact O-N 3.1Å
88	I	74.6	Confident	73.2	Confident	103 Å²	103	44.6 Å²	44.6	53%	0.528	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-48.2	175.3	-65.6	167.9	0	0	0	109.8	S84 A85 I90 S91 E92	S84-I88 PolarHBondContact O-N 3.16Å; A85-I88 WeakPolarHBondContact O-CB 3.18Å; A85-I88 PolarHBondContact O-N 2.82Å; A85-I88 VanDerWaalsContact O-N 3.13Å; I88-I90 VanDerWaalsContact C-N 3.28Å; I88-I90 PolarHBondContact O-N 3.22Å; I88-S91 WeakPolarHBondContact O-CA 3.49Å; I88-S91 WeakPolarHBondContact O-CB 3.3Å; I88-S91 PolarHBondContact O-N 3.31Å; I88-S91 PolarHBondContact O-OG 3.45Å; I88-E92 PolarHBondContact O-N 3.37Å; I88-E92 VanDerWaalsContact O-N 3.13Å
89	L	75.1	Confident	75.7	Confident	64 Å²	64	45.1 Å²	45.1	34%	0.335	28%	0.28	S	S	.	.	H	α-helix	trans	-57.8	-40.3	176.6	-65.3	175.8	0	0	0	112.1	A85 E86 S91 E92 H93 L283	A85-L89 PolarHBondContact O-N 2.95Å; A85-L89 VanDerWaalsContact O-N 3.1Å; E86-L89 PolarHBondContact O-N 3.12Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 3.23Å; L89-E92 PolarHBondContact O-N 3.03Å; L89-H93 PolarHBondContact O-CD2 3.03Å; L89-H93 VanDerWaalsContact O-CD2 3.29Å; L89-L283 HydrophobicContact CB-CD2 4.36Å
90	I	78.5	Confident	77.9	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-37.9	174.3	-73.3	164.7	0	0	0	111.7	L72 L76 I82 E86 T87 I88 E92 H93 K282 L283	L72-I90 HydrophobicContact CD2-CG2 3.5Å; L76-I90 HydrophobicContact CD1-CD1 3.93Å; I82-I90 HydrophobicContact CD1-CD1 4.18Å; I82-I90 HydrophobicContact CG2-CD1 4.07Å; E86-I90 VanDerWaalsContact O-CG1 3.26Å; E86-I90 WeakPolarHBondContact O-CG1 3.22Å; E86-I90 PolarHBondContact O-N 3.24Å; T87-I90 PolarHBondContact O-N 3.4Å; I88-I90 VanDerWaalsContact C-N 3.28Å; I88-I90 PolarHBondContact O-N 3.22Å; I90-E92 VanDerWaalsContact C-N 3.35Å; I90-H93 CarbonylContact O-C 3.59Å; I90-H93 PolarHBondContact O-N 3.44Å; I90-H93 VanDerWaalsContact O-N 3.12Å; I90-K282 HydrophobicContact CB-CD 4.48Å; I90-K282 HydrophobicContact CG1-CB 4.3Å; I90-K282 HydrophobicContact CG2-CD 3.81Å; I90-L283 HydrophobicContact CD1-CD1 4.06Å; I90-L283 HydrophobicContact CD1-CD2 3.86Å; I90-L283 HydrophobicContact CD1-CG 3.83Å; I90-L283 HydrophobicContact CG1-CD2 3.61Å; I90-L283 HydrophobicContact CG1-CG 3.77Å
91	S	82.5	Confident	80.1	Confident	72 Å²	72	45.8 Å²	45.8	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-71	-28.5	-178.5	74.6	0	0	0	0	113.7	T87 I88 L89 H93 S94	T87-S91 PolarHBondContact O-N 3.1Å; I88-S91 WeakPolarHBondContact O-CA 3.49Å; I88-S91 WeakPolarHBondContact O-CB 3.3Å; I88-S91 PolarHBondContact O-N 3.31Å; I88-S91 PolarHBondContact O-OG 3.45Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 3.23Å; S91-H93 PolarHBondContact O-N 2.92Å; S91-S94 PolarHBondContact O-OG 3.35Å
92	E	87.5	Confident	82	Confident	109 Å²	109	44.5 Å²	44.5	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-18.8	170.7	-66.6	-180	168.3	0	0	112	I88 L89 I90 V97	I88-E92 PolarHBondContact O-N 3.37Å; I88-E92 VanDerWaalsContact O-N 3.13Å; L89-E92 PolarHBondContact O-N 3.03Å; I90-E92 VanDerWaalsContact C-N 3.35Å; E92-V97 WeakPolarHBondContact O-CG1 3.36Å
93	H	93	Very high	83.7	Confident	14 Å²	14	48.5 Å²	48.5	7%	0.065	29%	0.286	C	S	.	.	S	Bend	trans	-103	87.6	173.5	-71.3	-113.9	0	0	0	110.2	L89 I90 S91 K282 S286 L307 V308	L89-H93 PolarHBondContact O-CD2 3.03Å; L89-H93 VanDerWaalsContact O-CD2 3.29Å; I90-H93 CarbonylContact O-C 3.59Å; I90-H93 PolarHBondContact O-N 3.44Å; I90-H93 VanDerWaalsContact O-N 3.12Å; S91-H93 PolarHBondContact O-N 2.92Å; H93-K282 HydrophobicContact CB-CB 3.87Å; H93-K282 HydrophobicContact CB-CD 3.73Å; H93-K282 HydrophobicContact CB-CG 3.63Å; H93-K282 WeakPolarHBondContact O-CE 3.23Å; H93-K282 PolarHBondContact O-NZ 3.46Å; H93-S286 PolarHBondContact NE2-OG 3.23Å; H93-L307 HydrophobicContact CB-CD1 4.36Å; H93-V308 WeakPolarHBondContact CB-O 3.44Å; H93-V308 PolarHBondContact ND1-N 3.02Å
94	S	94	Very high	85.2	Confident	24 Å²	24	52.6 Å²	52.6	17%	0.168	30%	0.303	C	S	.	.	S	Bend	trans	-145.6	165	-177.5	65.9	0	0	0	0	113.5	S91 T96 V97 F98 L309	S91-S94 PolarHBondContact O-OG 3.35Å; S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; S94-V97 PolarHBondContact O-N 3.43Å; S94-V97 WeakPolarHBondContact OG-CG2 3.37Å; S94-V97 PolarHBondContact OG-N 3.07Å; S94-F98 PolarHBondContact O-N 3.44Å; S94-L309 WeakPolarHBondContact O-CD2 3.04Å
95	S	93.9	Very high	86.7	Confident	31 Å²	31	50.2 Å²	50.2	22%	0.217	29%	0.285	C	S	.	.	H	α-helix	trans	-64	-33.3	176	53.2	0	0	0	0	112.4	F98 S99	S95-F98 WeakPolarHBondContact O-CB 3.48Å; S95-F98 PolarHBondContact O-N 3.5Å; S95-S99 PolarHBondContact O-N 2.95Å; S95-S99 PolarHBondContact O-OG 3.42Å
96	T	93.9	Very high	87.9	Confident	90 Å²	90	50.6 Å²	50.6	55%	0.552	28%	0.275	S	S	*	.	H	α-helix	trans	-61.8	-48.8	172.7	-55.5	0	0	0	0	111.1	S94 F98 S99 D100	S94-T96 VanDerWaalsContact C-N 3.28Å; S94-T96 PolarHBondContact O-N 3.1Å; T96-F98 PolarHBondContact O-N 3.3Å; T96-S99 WeakPolarHBondContact O-CB 3.33Å; T96-S99 PolarHBondContact O-N 2.99Å; T96-S99 VanDerWaalsContact O-N 3.17Å; T96-D100 PolarHBondContact O-N 3.46Å
97	V	95.3	Very high	89.2	Confident	43 Å²	43	53.6 Å²	53.6	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-38	175.5	173.4	0	0	0	0	110.6	E92 S94 D100 I101 L307	E92-V97 WeakPolarHBondContact O-CG1 3.36Å; S94-V97 PolarHBondContact O-N 3.43Å; S94-V97 WeakPolarHBondContact OG-CG2 3.37Å; S94-V97 PolarHBondContact OG-N 3.07Å; V97-D100 PolarHBondContact O-N 3.23Å; V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.37Å; V97-I101 VanDerWaalsContact O-CD1 3.31Å; V97-I101 WeakPolarHBondContact O-CD1 3.5Å; V97-I101 VanDerWaalsContact O-CG1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.27Å; V97-I101 PolarHBondContact O-N 3.28Å; V97-L307 HydrophobicContact CB-CD1 4.32Å; V97-L307 HydrophobicContact CG1-CD1 3.88Å
98	F	96.1	Very high	90.3	Very high	1 Å²	1	56.5 Å²	56.5	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-48.2	175	-168.7	-151.1	0	0	0	112.5	S94 S95 T96 D100 I101 L102 I116 V118 L169 I172 V174 V273 L307 L309 F317	S94-F98 PolarHBondContact O-N 3.44Å; S95-F98 WeakPolarHBondContact O-CB 3.48Å; S95-F98 PolarHBondContact O-N 3.5Å; T96-F98 PolarHBondContact O-N 3.3Å; F98-D100 VanDerWaalsContact C-N 3.31Å; F98-D100 PolarHBondContact O-N 3.37Å; F98-I101 PolarHBondContact O-N 3.43Å; F98-L102 HydrophobicContact CD1-CD1 4.37Å; F98-L102 HydrophobicContact CD2-CD1 4.17Å; F98-L102 HydrophobicContact CD2-CG 4.15Å; F98-L102 HydrophobicContact CE1-CD1 4.19Å; F98-L102 HydrophobicContact CE2-CD1 3.96Å; F98-L102 HydrophobicContact CE2-CD2 3.99Å; F98-L102 HydrophobicContact CE2-CG 3.93Å; F98-L102 HydrophobicContact CG-CD1 4.36Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.35Å; F98-L102 HydrophobicContact CZ-CG 4.4Å; F98-L102 WeakPolarHBondContact O-CG 2.95Å; F98-L102 PolarHBondContact O-N 3.16Å; F98-I116 HydrophobicContact CE2-CG2 4.34Å; F98-V118 HydrophobicContact CZ-CG2 4.44Å; F98-L169 HydrophobicContact CE1-CD2 4.43Å; F98-I172 HydrophobicContact CE1-CD1 3.91Å; F98-I172 HydrophobicContact CZ-CD1 4.25Å; F98-V174 HydrophobicContact CZ-CG2 3.9Å; F98-V273 HydrophobicContact CD2-CG2 4.25Å; F98-V273 HydrophobicContact CE2-CG2 3.88Å; F98-L307 HydrophobicContact CB-CD2 3.52Å; F98-L307 HydrophobicContact CD2-CD2 3.85Å; F98-L307 HydrophobicContact CG-CD2 3.89Å; F98-L309 HydrophobicContact CB-CD1 4.39Å; F98-L309 HydrophobicContact CD1-CD1 3.75Å; F98-L309 HydrophobicContact CE1-CD1 4.38Å; F98-L309 HydrophobicContact CG-CD1 4.31Å; F98-F317 HydrophobicContact CD1-CD1 4.31Å; F98-F317 AromaticContact CD1-CE1 3.69Å; F98-F317 HydrophobicContact CD1-CE1 3.69Å; F98-F317 AromaticContact CD1-CZ 3.84Å; F98-F317 HydrophobicContact CD1-CZ 3.84Å; F98-F317 AromaticContact CE1-CE1 3.77Å; F98-F317 HydrophobicContact CE1-CE1 3.77Å; F98-F317 HydrophobicContact CE1-CZ 4.21Å
99	S	93.8	Very high	91.3	Very high	41 Å²	41	59.3 Å²	59.3	29%	0.287	32%	0.318	S	S	.	.	H	α-helix	trans	-55.8	-46.4	174.4	-70.3	0	0	0	0	111.9	S95 T96 I101 L102 L103 F317	S95-S99 PolarHBondContact O-N 2.95Å; S95-S99 PolarHBondContact O-OG 3.42Å; T96-S99 WeakPolarHBondContact O-CB 3.33Å; T96-S99 PolarHBondContact O-N 2.99Å; T96-S99 VanDerWaalsContact O-N 3.17Å; S99-I101 VanDerWaalsContact C-N 3.34Å; S99-I101 PolarHBondContact O-N 3.13Å; S99-L102 PolarHBondContact O-N 3.45Å; S99-L103 WeakPolarHBondContact O-CG 3.15Å; S99-L103 PolarHBondContact O-N 2.81Å; S99-F317 WeakPolarHBondContact OG-CE2 3.47Å
100	D	94.1	Very high	92.2	Very high	74 Å²	74	58.8 Å²	58.8	40%	0.396	32%	0.318	S	S	.	.	H	α-helix	trans	-62.2	-42.3	-179.8	-68.4	-22.1	0	0	0	111.3	T96 V97 F98 L102 L103 Q104	T96-D100 PolarHBondContact O-N 3.46Å; V97-D100 PolarHBondContact O-N 3.23Å; F98-D100 VanDerWaalsContact C-N 3.31Å; F98-D100 PolarHBondContact O-N 3.37Å; D100-L102 PolarHBondContact O-N 3.24Å; D100-L103 PolarHBondContact O-N 3.35Å; D100-Q104 VanDerWaalsContact O-CB 3.3Å; D100-Q104 WeakPolarHBondContact O-CB 3.01Å; D100-Q104 WeakPolarHBondContact O-CG 2.97Å; D100-Q104 PolarHBondContact O-N 3.28Å
101	I	93.8	Very high	92.9	Very high	28 Å²	28	63.9 Å²	63.9	14%	0.144	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-42.2	176.2	-69.1	155.2	0	0	0	111.2	V97 F98 S99 Q104 N105 F271 L307	V97-I101 HydrophobicContact CG1-CD1 3.66Å; V97-I101 HydrophobicContact CG1-CG1 4.37Å; V97-I101 VanDerWaalsContact O-CD1 3.31Å; V97-I101 WeakPolarHBondContact O-CD1 3.5Å; V97-I101 VanDerWaalsContact O-CG1 3.27Å; V97-I101 WeakPolarHBondContact O-CG1 3.27Å; V97-I101 PolarHBondContact O-N 3.28Å; F98-I101 PolarHBondContact O-N 3.43Å; S99-I101 VanDerWaalsContact C-N 3.34Å; S99-I101 PolarHBondContact O-N 3.13Å; I101-Q104 PolarHBondContact O-N 2.94Å; I101-N105 WeakPolarHBondContact O-CB 2.87Å; I101-N105 PolarHBondContact O-N 3.43Å; I101-F271 HydrophobicContact CD1-CE1 3.75Å; I101-F271 HydrophobicContact CD1-CE2 4.17Å; I101-F271 HydrophobicContact CD1-CZ 3.31Å; I101-F271 HydrophobicContact CG1-CZ 4.12Å; I101-F271 HydrophobicContact CG2-CD1 4.21Å; I101-F271 HydrophobicContact CG2-CE1 4Å; I101-F271 HydrophobicContact CG2-CE2 4.33Å; I101-F271 HydrophobicContact CG2-CG 4.48Å; I101-F271 HydrophobicContact CG2-CZ 4.08Å; I101-L307 HydrophobicContact CD1-CD2 4.22Å
102	L	93.5	Very high	93.4	Very high	5 Å²	5	65 Å²	65	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-62.9	-43.1	177.9	-67.9	167.5	0	0	0	111.4	F98 S99 D100 K106 I116 I172 F317	F98-L102 HydrophobicContact CD1-CD1 4.37Å; F98-L102 HydrophobicContact CD2-CD1 4.17Å; F98-L102 HydrophobicContact CD2-CG 4.15Å; F98-L102 HydrophobicContact CE1-CD1 4.19Å; F98-L102 HydrophobicContact CE2-CD1 3.96Å; F98-L102 HydrophobicContact CE2-CD2 3.99Å; F98-L102 HydrophobicContact CE2-CG 3.93Å; F98-L102 HydrophobicContact CG-CD1 4.36Å; F98-L102 HydrophobicContact CZ-CD1 3.98Å; F98-L102 HydrophobicContact CZ-CD2 4.35Å; F98-L102 HydrophobicContact CZ-CG 4.4Å; F98-L102 WeakPolarHBondContact O-CG 2.95Å; F98-L102 PolarHBondContact O-N 3.16Å; S99-L102 PolarHBondContact O-N 3.45Å; D100-L102 PolarHBondContact O-N 3.24Å; L102-K106 WeakPolarHBondContact O-CB 3.37Å; L102-K106 PolarHBondContact O-N 3.05Å; L102-I116 HydrophobicContact CD2-CD1 3.52Å; L102-I172 HydrophobicContact CD1-CB 4.37Å; L102-I172 HydrophobicContact CD1-CD1 3.7Å; L102-I172 HydrophobicContact CD1-CG1 3.98Å; L102-I172 WeakPolarHBondContact CD2-O 3.5Å; L102-F317 HydrophobicContact CD1-CZ 4.5Å
103	L	92.8	Very high	93.8	Very high	100 Å²	100	60.9 Å²	60.9	52%	0.524	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-46.9	176.2	-70	171.1	0	0	0	111.9	S99 D100 N105 K106 S107	S99-L103 WeakPolarHBondContact O-CG 3.15Å; S99-L103 PolarHBondContact O-N 2.81Å; D100-L103 PolarHBondContact O-N 3.35Å; L103-N105 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 2.82Å; L103-S107 PolarHBondContact O-N 3.44Å
104	Q	93.3	Very high	93.9	Very high	116 Å²	116	61.5 Å²	61.5	54%	0.542	33%	0.331	S	S	.	.	H	α-helix	trans	-60.1	-46.6	176.8	-74.6	174.8	20.2	0	0	110.9	D100 I101 K106 S107 K108	D100-Q104 VanDerWaalsContact O-CB 3.3Å; D100-Q104 WeakPolarHBondContact O-CB 3.01Å; D100-Q104 WeakPolarHBondContact O-CG 2.97Å; D100-Q104 PolarHBondContact O-N 3.28Å; I101-Q104 PolarHBondContact O-N 2.94Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 3.49Å; Q104-S107 PolarHBondContact O-N 3.38Å; Q104-S107 VanDerWaalsContact O-N 3.13Å; Q104-S107 PolarHBondContact O-OG 3.06Å; Q104-K108 PolarHBondContact O-N 2.81Å
105	N	94.4	Very high	94.1	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.053	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-42.3	179	-161.8	48.3	0	0	0	111.5	I101 L103 S107 K108 R113 S114 I116	I101-N105 WeakPolarHBondContact O-CB 2.87Å; I101-N105 PolarHBondContact O-N 3.43Å; L103-N105 PolarHBondContact O-N 3Å; N105-S107 VanDerWaalsContact C-N 3.29Å; N105-S107 PolarHBondContact O-N 3.03Å; N105-K108 PolarHBondContact O-N 3.25Å; N105-R113 WeakPolarHBondContact O-CG 3.41Å; N105-R113 WeakPolarHBondContact OD1-CA 3.46Å; N105-S114 PolarHBondContact ND2-O 3.23Å; N105-S114 PolarHBondContact OD1-N 3.44Å; N105-I116 HydrophobicContact CB-CD1 4.2Å
106	K	90.7	Very high	94.2	Very high	70 Å²	70	58.9 Å²	58.9	30%	0.304	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-38.5	174.3	176.7	170.5	171.4	174.4	0	112.4	L102 L103 Q104 K108 R113 A334 E335 H336	L102-K106 WeakPolarHBondContact O-CB 3.37Å; L102-K106 PolarHBondContact O-N 3.05Å; L103-K106 PolarHBondContact O-N 2.82Å; Q104-K106 VanDerWaalsContact C-N 3.34Å; Q104-K106 PolarHBondContact O-N 3.49Å; K106-K108 VanDerWaalsContact C-N 3.3Å; K106-K108 PolarHBondContact O-N 3.37Å; K106-R113 PolarHBondContact O-NH2 3.28Å; K106-A334 PolarHBondContact NZ-O 3.49Å; K106-E335 PolarHBondContact NZ-O 3.27Å; K106-H336 WeakPolarHBondContact CD-ND1 3.45Å
107	S	92.3	Very high	94.4	Very high	98 Å²	98	54.6 Å²	54.6	69%	0.685	29%	0.287	S	S	*	.	H	α-helix	trans	-71.8	-18.2	-179.1	77.2	0	0	0	0	114.6	L103 Q104 N105	L103-S107 PolarHBondContact O-N 3.44Å; Q104-S107 PolarHBondContact O-N 3.38Å; Q104-S107 VanDerWaalsContact O-N 3.13Å; Q104-S107 PolarHBondContact O-OG 3.06Å; N105-S107 VanDerWaalsContact C-N 3.29Å; N105-S107 PolarHBondContact O-N 3.03Å
108	K	93.7	Very high	94.6	Very high	88 Å²	88	52.6 Å²	52.6	38%	0.383	27%	0.274	S	S	.	.	S	Bend	trans	-70.2	153.4	175.9	-67.7	177.8	-173.2	177.4	0	111.2	Q104 N105 K106 D112 R113	Q104-K108 PolarHBondContact O-N 2.81Å; N105-K108 PolarHBondContact O-N 3.25Å; K106-K108 VanDerWaalsContact C-N 3.3Å; K106-K108 PolarHBondContact O-N 3.37Å; K108-D112 HydrophobicContact CB-CB 4.34Å; K108-D112 WeakPolarHBondContact CD-O 3.07Å; K108-R113 HydrophobicContact CB-CG 4.08Å; K108-R113 PolarHBondContact O-NE 3.33Å; K108-R113 VanDerWaalsContact O-NE 3.16Å
109	K	94.5	Very high	94.7	Very high	162 Å²	162	52.5 Å²	52.5	70%	0.704	27%	0.274	S	S	*	.			trans	-55.9	144.6	165.5	-64.6	179	-179	175.6	0	109.1	N111 D112 R113	K109-N111 PolarHBondContact O-N 2.98Å; K109-D112 PolarHBondContact O-N 3.43Å; K109-R113 PolarHBondContact O-N 2.96Å
110	V	93.9	Very high	94.9	Very high	54 Å²	54	50.6 Å²	50.6	33%	0.327	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-49.3	-41.1	-175.3	178.3	0	0	0	0	112.6	D112 R113 G341	V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 3.17Å; V110-R113 PolarHBondContact O-N 3.32Å; V110-G341 PolarHBondContact O-N 3.29Å
111	N	94.1	Very high	95.1	Very high	111 Å²	111	47.1 Å²	47.1	59%	0.594	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-72.5	-16.7	179.7	-66.9	-20	0	0	0	115.1	K109 G341 Q344	K109-N111 PolarHBondContact O-N 2.98Å; N111-G341 WeakPolarHBondContact OD1-CA 3.44Å; N111-Q344 PolarHBondContact O-NE2 2.78Å
112	D	93.4	Very high	95.3	Very high	95 Å²	95	45.8 Å²	45.8	51%	0.508	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-102.8	-2	-178.3	-58.9	-37.6	0	0	0	112.4	K108 K109 V110	K108-D112 HydrophobicContact CB-CB 4.34Å; K108-D112 WeakPolarHBondContact CD-O 3.07Å; K109-D112 PolarHBondContact O-N 3.43Å; V110-D112 VanDerWaalsContact C-N 3.31Å; V110-D112 PolarHBondContact O-N 3.17Å
113	R	95.2	Very high	95.6	Very high	24 Å²	24	46 Å²	46	9%	0.091	24%	0.236	C	C	.	.			trans	-68.1	145.2	177.8	-65.5	-179.4	179	167.6	-4.8	111.2	N105 K106 K108 K109 V110 T337 E339 V340 Q344	N105-R113 WeakPolarHBondContact O-CG 3.41Å; N105-R113 WeakPolarHBondContact OD1-CA 3.46Å; K106-R113 PolarHBondContact O-NH2 3.28Å; K108-R113 HydrophobicContact CB-CG 4.08Å; K108-R113 PolarHBondContact O-NE 3.33Å; K108-R113 VanDerWaalsContact O-NE 3.16Å; K109-R113 PolarHBondContact O-N 2.96Å; V110-R113 PolarHBondContact O-N 3.32Å; R113-T337 PolarHBondContact NH1-OG1 3.46Å; R113-E339 WeakPolarHBondContact CD-O 3.21Å; R113-E339 PolarHBondContact NH1-O 3.25Å; R113-V340 HydrophobicContact CB-CG1 4.27Å; R113-Q344 WeakPolarHBondContact O-CG 3.28Å; R113-Q344 PolarHBondContact O-NE2 2.96Å
114	S	95.5	Very high	95.8	Very high	26 Å²	26	41.3 Å²	41.3	18%	0.182	21%	0.211	C	C	.	.			trans	-88.9	148.2	171.2	-58.5	0	0	0	0	110.4	N105 I116 K269	N105-S114 PolarHBondContact ND2-O 3.23Å; N105-S114 PolarHBondContact OD1-N 3.44Å; S114-I116 PolarHBondContact O-N 3.02Å; S114-K269 CarbonylContact C-O 3.58Å; S114-K269 WeakPolarHBondContact CA-O 3.44Å
115	I	97.1	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.4	169.7	-55.1	169.9	0	0	0	107.3	V117 H175 K269 C270 F271 Q344 I347 L348	I115-V117 HydrophobicContact CG2-CG2 4.05Å; I115-H175 HydrophobicContact CG2-CB 3.91Å; I115-K269 HydrophobicContact CD1-CB 4.41Å; I115-K269 PolarHBondContact N-O 3.44Å; I115-C270 CarbonylContact O-C 3.53Å; I115-C270 WeakPolarHBondContact O-CA 3.45Å; I115-F271 PolarHBondContact O-N 2.94Å; I115-Q344 HydrophobicContact CD1-CB 3.97Å; I115-Q344 HydrophobicContact CD1-CG 4.37Å; I115-Q344 VanDerWaalsContact CD1-O 3.28Å; I115-Q344 WeakPolarHBondContact CD1-O 3.38Å; I115-Q344 HydrophobicContact CG1-CB 3.84Å; I115-Q344 HydrophobicContact CG1-CG 4.07Å; I115-I347 HydrophobicContact CD1-CB 3.75Å; I115-I347 HydrophobicContact CD1-CG2 3.47Å; I115-I347 VanDerWaalsContact CD1-CG2 3.47Å; I115-L348 HydrophobicContact CD1-CB 4.45Å; I115-L348 HydrophobicContact CG2-CD1 3.96Å
116	I	97.4	Very high	96.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.9	-178.8	-56.7	178.9	0	0	0	109	F98 L102 N105 S114 V174 H175 L176 F271 V273	F98-I116 HydrophobicContact CE2-CG2 4.34Å; L102-I116 HydrophobicContact CD2-CD1 3.52Å; N105-I116 HydrophobicContact CB-CD1 4.2Å; S114-I116 PolarHBondContact O-N 3.02Å; I116-V174 HydrophobicContact CG2-CG2 4.2Å; I116-H175 PolarHBondContact N-ND1 3.17Å; I116-H175 WeakPolarHBondContact O-CB 3.44Å; I116-H175 PolarHBondContact O-N 2.85Å; I116-L176 PolarHBondContact O-N 3.14Å; I116-F271 WeakPolarHBondContact CA-O 3.12Å; I116-V273 HydrophobicContact CG2-CG2 4.44Å
117	V	98.1	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	126.7	-178.4	-174.2	0	0	0	0	109.5	I115 L176 I262 F271 H272 V273	I115-V117 HydrophobicContact CG2-CG2 4.05Å; V117-L176 CarbonylContact C-O 3.48Å; V117-L176 WeakPolarHBondContact CA-O 3.11Å; V117-L176 HydrophobicContact CB-CB 4.47Å; V117-L176 HydrophobicContact CG1-CB 4.07Å; V117-L176 HydrophobicContact CG1-CD2 3.86Å; V117-L176 HydrophobicContact CG1-CG 3.97Å; V117-L176 HydrophobicContact CG2-CB 4.18Å; V117-L176 HydrophobicContact CG2-CD2 4.37Å; V117-I262 HydrophobicContact CB-CG2 4.1Å; V117-I262 HydrophobicContact CG1-CD1 3.88Å; V117-I262 HydrophobicContact CG1-CG2 4.06Å; V117-I262 HydrophobicContact CG2-CG2 4.04Å; V117-F271 PolarHBondContact N-O 2.77Å; V117-H272 WeakPolarHBondContact O-CA 3.1Å; V117-V273 PolarHBondContact O-N 3.23Å
118	V	98.6	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.6	176.3	178.5	0	0	0	0	110.4	F98 L120 L169 V174 L176 V177 T178 V273 I275	F98-V118 HydrophobicContact CZ-CG2 4.44Å; V118-L120 HydrophobicContact CG1-CD2 4.41Å; V118-L169 HydrophobicContact CB-CD1 4.32Å; V118-L169 HydrophobicContact CG1-CD1 3.89Å; V118-L169 HydrophobicContact CG2-CD1 4.49Å; V118-V174 HydrophobicContact CB-CG1 4.1Å; V118-V174 HydrophobicContact CG2-CB 4.28Å; V118-V174 HydrophobicContact CG2-CG1 3.55Å; V118-V174 HydrophobicContact CG2-CG2 3.68Å; V118-L176 PolarHBondContact N-O 3.39Å; V118-V177 HydrophobicContact CB-CG2 4.49Å; V118-V177 CarbonylContact O-C 3.56Å; V118-V177 WeakPolarHBondContact O-CA 3.37Å; V118-T178 PolarHBondContact O-N 3.48Å; V118-V273 CarbonylContact C-O 3.51Å; V118-V273 VanDerWaalsContact CA-O 3.27Å; V118-V273 WeakPolarHBondContact CA-O 3.36Å; V118-V273 HydrophobicContact CG2-CB 4.05Å; V118-I275 HydrophobicContact CG1-CD1 4.24Å; V118-I275 HydrophobicContact CG1-CG1 3.69Å
119	S	98.6	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.4	169.2	-60.7	0	0	0	0	111.5	T178 H272 V273 I275	S119-T178 WeakPolarHBondContact CA-O 3.37Å; S119-T178 VanDerWaalsContact OG-CG2 3.23Å; S119-T178 WeakPolarHBondContact OG-CG2 3.35Å; S119-H272 PolarHBondContact OG-NE2 3.32Å; S119-V273 PolarHBondContact N-O 3.2Å; S119-I275 PolarHBondContact O-N 3.45Å
120	L	98.6	Very high	97.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	135.5	179.4	-63.7	163.7	0	0	0	111.7	V118 I125 R162 I165 L169 V177 T178 D179 V180 I275 L314	V118-L120 HydrophobicContact CG1-CD2 4.41Å; L120-I125 HydrophobicContact CD1-CD1 4.21Å; L120-I125 HydrophobicContact CD2-CD1 4.46Å; L120-R162 HydrophobicContact CD1-CG 4.45Å; L120-I165 HydrophobicContact CD1-CG2 4.33Å; L120-I165 HydrophobicContact CD2-CG2 4.23Å; L120-L169 HydrophobicContact CD2-CD1 4.38Å; L120-V177 HydrophobicContact CD1-CG1 3.45Å; L120-V177 VanDerWaalsContact CD1-CG1 3.45Å; L120-V177 HydrophobicContact CG-CG1 4.1Å; L120-T178 PolarHBondContact N-O 3.44Å; L120-D179 CarbonylContact O-C 3.53Å; L120-D179 WeakPolarHBondContact O-CA 3.41Å; L120-D179 WeakPolarHBondContact O-CB 3.37Å; L120-V180 PolarHBondContact O-N 3.37Å; L120-V180 VanDerWaalsContact O-N 3.13Å; L120-I275 HydrophobicContact CD2-CB 4.02Å; L120-I275 HydrophobicContact CD2-CG1 3.83Å; L120-L314 HydrophobicContact CD2-CD2 4.34Å
121	S	98.3	Very high	97.5	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.007	7%	0.074	C	C	.	.			trans	-79	143.1	166.1	77.4	0	0	0	0	111.8	Q123 T124 I125 I275 P277	S121-Q123 PolarHBondContact O-N 2.96Å; S121-T124 WeakPolarHBondContact O-CB 3.41Å; S121-T124 PolarHBondContact O-N 3.17Å; S121-T124 VanDerWaalsContact O-N 3.15Å; S121-T124 WeakPolarHBondContact OG-CB 3.33Å; S121-T124 PolarHBondContact OG-N 2.66Å; S121-T124 VanDerWaalsContact OG-N 3.09Å; S121-T124 PolarHBondContact OG-OG1 3.25Å; S121-I125 PolarHBondContact O-N 3.36Å; S121-I275 WeakPolarHBondContact CB-O 3.32Å; S121-I275 PolarHBondContact N-O 3.04Å; S121-I275 VanDerWaalsContact N-O 3.08Å; S121-I275 PolarHBondContact OG-O 3.28Å; S121-P277 WeakPolarHBondContact OG-CD 3.43Å
122	P	98.2	Very high	97.6	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-60	-31.5	174.2	-23.2	32.1	0	0	0	113.8	I125 A126 M158 T181 M381 Y542 L545	P122-I125 PolarHBondContact O-N 2.01Å; P122-A126 PolarHBondContact O-N 3.26Å; P122-M158 WeakPolarHBondContact O-CE 3.44Å; P122-T181 HydrophobicContact CG-CG2 3.53Å; P122-M381 WeakPolarHBondContact CA-SD 3.38Å; P122-M381 HydrophobicContact CB-CE 4.3Å; P122-M381 HydrophobicContact CB-CG 3.96Å; P122-M381 HydrophobicContact CB-SD 3.61Å; P122-M381 HydrophobicContact CG-CE 4.19Å; P122-M381 HydrophobicContact CG-CG 3.9Å; P122-M381 HydrophobicContact CG-SD 3.98Å; P122-Y542 HydrophobicContact CB-CD2 4.14Å; P122-Y542 HydrophobicContact CB-CE2 3.94Å; P122-L545 HydrophobicContact CB-CD1 3.77Å
123	Q	98	Very high	97.8	Very high	11 Å²	11	8.9 Å²	8.9	5%	0.051	5%	0.051	C	C	.	.	H	α-helix	trans	-64.7	-39.7	176.2	-60.7	86.5	-11.9	0	0	111.6	S121 I125 A126 N127 P277 G388 C524 L525 Q530 Y542	S121-Q123 PolarHBondContact O-N 2.96Å; Q123-I125 PolarHBondContact O-N 3.47Å; Q123-A126 PolarHBondContact O-N 3.29Å; Q123-N127 VanDerWaalsContact O-CB 3.26Å; Q123-N127 WeakPolarHBondContact O-CB 3.02Å; Q123-N127 PolarHBondContact O-N 3.41Å; Q123-P277 HydrophobicContact CB-CB 4.02Å; Q123-P277 HydrophobicContact CB-CG 3.99Å; Q123-P277 HydrophobicContact CG-CG 4.49Å; Q123-G388 PolarHBondContact NE2-O 3Å; Q123-C524 HydrophobicContact CG-CB 4.39Å; Q123-L525 HydrophobicContact CB-CD2 4.37Å; Q123-L525 HydrophobicContact CG-CD2 3.79Å; Q123-Q530 PolarHBondContact O-OE1 3.35Å; Q123-Y542 HydrophobicContact CG-CD2 4.22Å; Q123-Y542 HydrophobicContact CG-CE2 4.22Å
124	T	98.5	Very high	97.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.6	-49.5	174	-65.7	0	0	0	0	110.7	S121 A126 N127 L128 I275 T311 L314	S121-T124 WeakPolarHBondContact O-CB 3.41Å; S121-T124 PolarHBondContact O-N 3.17Å; S121-T124 VanDerWaalsContact O-N 3.15Å; S121-T124 WeakPolarHBondContact OG-CB 3.33Å; S121-T124 PolarHBondContact OG-N 2.66Å; S121-T124 VanDerWaalsContact OG-N 3.09Å; S121-T124 PolarHBondContact OG-OG1 3.25Å; T124-A126 PolarHBondContact O-N 3.26Å; T124-N127 PolarHBondContact O-N 3.23Å; T124-L128 HydrophobicContact CG2-CD1 3.97Å; T124-L128 HydrophobicContact CG2-CG 4.37Å; T124-L128 WeakPolarHBondContact O-CB 3.32Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 3.44Å; T124-I275 HydrophobicContact CG2-CG2 3.67Å; T124-T311 HydrophobicContact CG2-CG2 3.94Å; T124-T311 PolarHBondContact OG1-OG1 2.96Å; T124-L314 HydrophobicContact CG2-CD2 4.13Å
125	I	98.5	Very high	97.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.8	-44.1	-179.1	-61.5	-52.5	0	0	0	111	L120 S121 P122 Q123 N127 L129 M158 F161 R162 I165 M381	L120-I125 HydrophobicContact CD1-CD1 4.21Å; L120-I125 HydrophobicContact CD2-CD1 4.46Å; S121-I125 PolarHBondContact O-N 3.36Å; P122-I125 PolarHBondContact O-N 2.01Å; Q123-I125 PolarHBondContact O-N 3.47Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.86Å; I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 PolarHBondContact O-N 3.36Å; I125-M158 HydrophobicContact CB-CE 3.87Å; I125-M158 HydrophobicContact CB-SD 4.47Å; I125-M158 HydrophobicContact CG2-CE 3.65Å; I125-M158 HydrophobicContact CG2-SD 3.79Å; I125-F161 HydrophobicContact CG2-CD1 4.06Å; I125-R162 HydrophobicContact CD1-CB 4.48Å; I125-R162 HydrophobicContact CG1-CB 4.4Å; I125-R162 HydrophobicContact CG2-CB 4.17Å; I125-I165 HydrophobicContact CD1-CB 4.39Å; I125-I165 HydrophobicContact CD1-CG1 4.24Å; I125-I165 HydrophobicContact CD1-CG2 4.42Å; I125-M381 HydrophobicContact CB-SD 4.29Å; I125-M381 HydrophobicContact CG1-CE 3.93Å; I125-M381 HydrophobicContact CG1-SD 4.25Å
126	A	98.4	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-40.2	177.3	0	0	0	0	0	112.3	P122 Q123 T124 S130 M158 T538 L541	P122-A126 PolarHBondContact O-N 3.26Å; Q123-A126 PolarHBondContact O-N 3.29Å; T124-A126 PolarHBondContact O-N 3.26Å; A126-S130 WeakPolarHBondContact O-CB 3.49Å; A126-S130 PolarHBondContact O-N 3.25Å; A126-S130 PolarHBondContact O-OG 2.99Å; A126-M158 VanDerWaalsContact CA-SD 3.52Å; A126-M158 HydrophobicContact CB-CE 3.82Å; A126-M158 HydrophobicContact CB-SD 3.88Å; A126-T538 HydrophobicContact CB-CG2 4.12Å; A126-L541 HydrophobicContact CB-CB 4Å; A126-L541 WeakPolarHBondContact O-CD1 3.38Å
127	N	98.4	Very high	97.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-70.4	-46.3	-179.6	-176.8	-115.3	0	0	0	112.2	Q123 T124 I125 S130 H131 T311 Q530 V531 I534 M535 T538	Q123-N127 VanDerWaalsContact O-CB 3.26Å; Q123-N127 WeakPolarHBondContact O-CB 3.02Å; Q123-N127 PolarHBondContact O-N 3.41Å; T124-N127 PolarHBondContact O-N 3.23Å; I125-N127 VanDerWaalsContact C-N 3.33Å; I125-N127 PolarHBondContact O-N 2.86Å; N127-S130 WeakPolarHBondContact O-CB 3.42Å; N127-S130 PolarHBondContact O-N 3.27Å; N127-H131 PolarHBondContact O-N 2.87Å; N127-T311 HydrophobicContact CB-CG2 4.13Å; N127-T311 WeakPolarHBondContact OD1-CG2 3.33Å; N127-Q530 HydrophobicContact CB-CG 4.4Å; N127-V531 PolarHBondContact ND2-O 3.34Å; N127-V531 VanDerWaalsContact ND2-O 3.13Å; N127-V531 PolarHBondContact OD1-N 2.64Å; N127-I534 WeakPolarHBondContact O-CD1 3.33Å; N127-M535 WeakPolarHBondContact ND2-CE 3.19Å; N127-T538 WeakPolarHBondContact CA-OG1 3.39Å; N127-T538 HydrophobicContact CB-CG2 3.83Å; N127-T538 PolarHBondContact ND2-OG1 3.2Å; N127-T538 VanDerWaalsContact ND2-OG1 3.14Å
128	L	98.6	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68	-37.1	178.2	-67.2	-174.3	0	0	0	112	T124 S130 H131 V132 F161 T311 L314 L315	T124-L128 HydrophobicContact CG2-CD1 3.97Å; T124-L128 HydrophobicContact CG2-CG 4.37Å; T124-L128 WeakPolarHBondContact O-CB 3.32Å; T124-L128 WeakPolarHBondContact O-CG 3.39Å; T124-L128 PolarHBondContact O-N 3.44Å; L128-S130 VanDerWaalsContact C-N 3.35Å; L128-H131 WeakPolarHBondContact O-CB 3.3Å; L128-H131 PolarHBondContact O-N 3.47Å; L128-H131 VanDerWaalsContact O-N 3.17Å; L128-V132 PolarHBondContact O-N 2.78Å; L128-F161 HydrophobicContact CB-CE1 3.51Å; L128-F161 HydrophobicContact CB-CZ 3.87Å; L128-T311 HydrophobicContact CD1-CG2 4.49Å; L128-T311 HydrophobicContact CD2-CG2 3.75Å; L128-T311 HydrophobicContact CG-CG2 3.81Å; L128-L314 HydrophobicContact CD1-CD2 3.96Å; L128-L314 HydrophobicContact CD1-CG 4.37Å; L128-L315 HydrophobicContact CD2-CB 3.74Å; L128-L315 HydrophobicContact CD2-CD1 4.37Å; L128-L315 HydrophobicContact CD2-CD2 4.46Å; L128-L315 HydrophobicContact CD2-CG 4.42Å
129	L	98.4	Very high	97.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-40.6	172.9	179.8	54.9	0	0	0	111.5	I125 H131 V132 T133 F144 M158 F161 L541	I125-L129 WeakPolarHBondContact O-CB 3.47Å; I125-L129 PolarHBondContact O-N 3.36Å; L129-H131 VanDerWaalsContact C-N 3.26Å; L129-H131 PolarHBondContact O-N 3.37Å; L129-V132 HydrophobicContact CD1-CG2 4.03Å; L129-V132 WeakPolarHBondContact O-CG2 3.4Å; L129-T133 WeakPolarHBondContact O-CB 3.38Å; L129-T133 PolarHBondContact O-N 3.04Å; L129-T133 VanDerWaalsContact O-N 3.08Å; L129-T133 PolarHBondContact O-OG1 2.74Å; L129-F144 HydrophobicContact CD1-CE1 4.22Å; L129-M158 HydrophobicContact CD2-CG 4.43Å; L129-M158 HydrophobicContact CD2-SD 4.16Å; L129-F161 HydrophobicContact CB-CB 4.37Å; L129-F161 HydrophobicContact CB-CD1 3.77Å; L129-F161 HydrophobicContact CB-CE1 4.21Å; L129-F161 HydrophobicContact CB-CG 3.96Å; L129-F161 HydrophobicContact CD1-CB 4.02Å; L129-F161 HydrophobicContact CD1-CD2 3.94Å; L129-F161 HydrophobicContact CD1-CG 3.91Å; L129-F161 HydrophobicContact CD2-CB 4.15Å; L129-F161 HydrophobicContact CG-CB 4.41Å; L129-F161 HydrophobicContact CG-CG 4.37Å; L129-L541 HydrophobicContact CB-CD1 3.88Å; L129-L541 HydrophobicContact CD2-CD1 3.89Å; L129-L541 HydrophobicContact CD2-CD2 3.95Å; L129-L541 HydrophobicContact CG-CD1 3.67Å
130	S	98.1	Very high	97	Very high	4 Å²	4	27 Å²	27	3%	0.028	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-40.5	171.8	-59.9	0	0	0	0	111.5	A126 N127 L128 T133 A134 T538 L541	A126-S130 WeakPolarHBondContact O-CB 3.49Å; A126-S130 PolarHBondContact O-N 3.25Å; A126-S130 PolarHBondContact O-OG 2.99Å; N127-S130 WeakPolarHBondContact O-CB 3.42Å; N127-S130 PolarHBondContact O-N 3.27Å; L128-S130 VanDerWaalsContact C-N 3.35Å; S130-T133 PolarHBondContact O-N 3.24Å; S130-A134 WeakPolarHBondContact O-CB 3.49Å; S130-A134 PolarHBondContact O-N 3.09Å; S130-T538 VanDerWaalsContact OG-CA 3.23Å; S130-T538 WeakPolarHBondContact OG-CA 3.43Å; S130-T538 PolarHBondContact OG-N 3.39Å; S130-T538 PolarHBondContact OG-OG1 3.31Å; S130-L541 WeakPolarHBondContact OG-CD1 3.43Å
131	H	97.6	Very high	96.8	Very high	16 Å²	16	27.2 Å²	27.2	7%	0.074	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-51.6	-178.7	174	79	0	0	0	111.4	N127 L128 L129 T133 A134 L135 I534	N127-H131 PolarHBondContact O-N 2.87Å; L128-H131 WeakPolarHBondContact O-CB 3.3Å; L128-H131 PolarHBondContact O-N 3.47Å; L128-H131 VanDerWaalsContact O-N 3.17Å; L129-H131 VanDerWaalsContact C-N 3.26Å; L129-H131 PolarHBondContact O-N 3.37Å; H131-T133 PolarHBondContact O-N 2.99Å; H131-A134 PolarHBondContact O-N 3.35Å; H131-L135 PolarHBondContact O-N 2.74Å; H131-I534 HydrophobicContact CB-CD1 3.58Å
132	V	96.9	Very high	96.6	Very high	8 Å²	8	30.7 Å²	30.7	5%	0.048	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-25.3	180	-60	0	0	0	0	112.8	L128 L129 L135 L140 A141 F144 F161	L128-V132 PolarHBondContact O-N 2.78Å; L129-V132 HydrophobicContact CD1-CG2 4.03Å; L129-V132 WeakPolarHBondContact O-CG2 3.4Å; V132-L135 CarbonylContact O-C 3.57Å; V132-L140 HydrophobicContact CG1-CB 4Å; V132-L140 HydrophobicContact CG1-CD2 3.85Å; V132-L140 HydrophobicContact CG1-CG 3.83Å; V132-A141 HydrophobicContact CB-CB 3.69Å; V132-A141 HydrophobicContact CG1-CB 4.13Å; V132-A141 WeakPolarHBondContact O-CB 3.04Å; V132-F144 HydrophobicContact CG2-CD1 4.3Å; V132-F161 HydrophobicContact CG1-CE2 4.11Å; V132-F161 HydrophobicContact CG1-CZ 4.19Å; V132-F161 HydrophobicContact CG2-CD2 4.28Å; V132-F161 HydrophobicContact CG2-CE2 3.68Å; V132-F161 HydrophobicContact CG2-CZ 4.19Å
133	T	96.5	Very high	96.3	Very high	94 Å²	94	30.7 Å²	30.7	58%	0.577	17%	0.165	S	C	*	.	H	α-helix	trans	-74	-40.9	173.5	-56	0	0	0	0	111.4	L129 S130 H131	L129-T133 WeakPolarHBondContact O-CB 3.38Å; L129-T133 PolarHBondContact O-N 3.04Å; L129-T133 VanDerWaalsContact O-N 3.08Å; L129-T133 PolarHBondContact O-OG1 2.74Å; S130-T133 PolarHBondContact O-N 3.24Å; H131-T133 PolarHBondContact O-N 2.99Å
134	A	96.3	Very high	96.1	Very high	53 Å²	53	30.5 Å²	30.5	44%	0.438	16%	0.164	S	C	.	.	H	α-helix	trans	-75.2	-30.7	179	0	0	0	0	0	113.1	S130 H131 P136 I534	S130-A134 WeakPolarHBondContact O-CB 3.49Å; S130-A134 PolarHBondContact O-N 3.09Å; H131-A134 PolarHBondContact O-N 3.35Å; A134-P136 WeakPolarHBondContact O-CD 3.49Å; A134-I534 HydrophobicContact CB-CG2 4Å
135	L	96.1	Very high	95.8	Very high	96 Å²	96	35.7 Å²	35.7	50%	0.503	18%	0.184	S	C	.	.			trans	-122.9	74.6	-178.8	-65.3	176	0	0	0	110.5	H131 V132 E137 S138 A141	H131-L135 PolarHBondContact O-N 2.74Å; V132-L135 CarbonylContact O-C 3.57Å; L135-E137 PolarHBondContact O-N 3.49Å; L135-E137 VanDerWaalsContact O-N 3.1Å; L135-S138 VanDerWaalsContact O-CB 3.32Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 2.89Å; L135-S138 PolarHBondContact O-OG 3.49Å; L135-A141 WeakPolarHBondContact O-CB 3.47Å
136	P	94.2	Very high	95.5	Very high	52 Å²	52	37.8 Å²	37.8	34%	0.338	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	-174.4	26.7	-36.1	0	0	0	114.7	A134 R145	A134-P136 WeakPolarHBondContact O-CD 3.49Å; P136-R145 PolarHBondContact O-NH1 3.22Å; P136-R145 PolarHBondContact O-NH2 2.89Å; P136-R145 VanDerWaalsContact O-NH2 3.07Å
137	E	93.9	Very high	95.1	Very high	139 Å²	139	37.8 Å²	37.8	65%	0.65	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.8	177.3	-56.9	-49.9	139.2	0	0	113.6	L135 R142	L135-E137 PolarHBondContact O-N 3.49Å; L135-E137 VanDerWaalsContact O-N 3.1Å; E137-R142 PolarHBondContact O-NE 2.96Å
138	S	94.3	Very high	94.8	Very high	19 Å²	19	39.3 Å²	39.3	13%	0.133	21%	0.205	C	C	.	.	S	Bend	trans	-57.2	151.3	174.9	63.7	0	0	0	0	110.8	L135 L140 A141 R142 E319	L135-S138 VanDerWaalsContact O-CB 3.32Å; L135-S138 WeakPolarHBondContact O-CB 3.31Å; L135-S138 PolarHBondContact O-N 2.89Å; L135-S138 PolarHBondContact O-OG 3.49Å; S138-L140 PolarHBondContact O-N 3.24Å; S138-A141 PolarHBondContact O-N 3.25Å; S138-A141 VanDerWaalsContact O-N 3.12Å; S138-A141 WeakPolarHBondContact OG-CB 3.27Å; S138-A141 PolarHBondContact OG-N 3.32Å; S138-R142 PolarHBondContact O-N 3.37Å; S138-E319 WeakPolarHBondContact CB-OE1 3.49Å
139	K	93.8	Very high	94.4	Very high	74 Å²	74	44.5 Å²	44.5	32%	0.322	24%	0.237	S	C	.	.	H	α-helix	trans	-57.4	-44.8	-178.8	-59.8	-159.3	165.6	-171.8	0	110.2	A141 R142 A143 E319 I322 E324	K139-A141 PolarHBondContact O-N 2.91Å; K139-R142 PolarHBondContact O-N 3.38Å; K139-A143 WeakPolarHBondContact O-CB 3.33Å; K139-A143 PolarHBondContact O-N 3.27Å; K139-E319 HydrophobicContact CB-CB 4.26Å; K139-E319 HydrophobicContact CB-CG 4.06Å; K139-E319 HydrophobicContact CD-CB 4.44Å; K139-E319 WeakPolarHBondContact CD-O 3.06Å; K139-E319 PolarHBondContact N-OE1 3.4Å; K139-I322 HydrophobicContact CB-CB 4.19Å; K139-I322 HydrophobicContact CB-CD1 4.09Å; K139-I322 HydrophobicContact CB-CG2 4.06Å; K139-I322 HydrophobicContact CD-CB 4.33Å; K139-I322 HydrophobicContact CD-CG2 4.43Å; K139-I322 PolarHBondContact NZ-O 3.03Å; K139-E324 HydrophobicContact CD-CG 4.46Å; K139-E324 VanDerWaalsContact CG-OE1 3.26Å; K139-E324 WeakPolarHBondContact CG-OE1 3.31Å
140	L	94.9	Very high	93.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.5	-37.7	179.5	-168.5	66.6	0	0	0	112.5	V132 S138 F144 F161 F164 L315 L318 E319 I322	V132-L140 HydrophobicContact CG1-CB 4Å; V132-L140 HydrophobicContact CG1-CD2 3.85Å; V132-L140 HydrophobicContact CG1-CG 3.83Å; S138-L140 PolarHBondContact O-N 3.24Å; L140-F144 WeakPolarHBondContact O-CB 2.93Å; L140-F144 PolarHBondContact O-N 2.87Å; L140-F161 HydrophobicContact CD2-CZ 4.26Å; L140-F164 HydrophobicContact CD1-CE1 3.64Å; L140-F164 HydrophobicContact CD1-CZ 3.92Å; L140-F164 HydrophobicContact CG-CE1 4.21Å; L140-L315 HydrophobicContact CB-CD1 4.18Å; L140-L315 HydrophobicContact CD2-CD1 3.54Å; L140-L315 HydrophobicContact CG-CD1 4.49Å; L140-L318 HydrophobicContact CD1-CB 3.97Å; L140-L318 HydrophobicContact CD1-CD1 4.15Å; L140-E319 HydrophobicContact CB-CG 3.99Å; L140-E319 PolarHBondContact N-OE1 2.94Å; L140-I322 HydrophobicContact CB-CD1 4.5Å; L140-I322 HydrophobicContact CD1-CD1 4.19Å
141	A	95.1	Very high	93.5	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-43	177	0	0	0	0	0	112.4	V132 L135 S138 K139 F144 R145	V132-A141 HydrophobicContact CB-CB 3.69Å; V132-A141 HydrophobicContact CG1-CB 4.13Å; V132-A141 WeakPolarHBondContact O-CB 3.04Å; L135-A141 WeakPolarHBondContact O-CB 3.47Å; S138-A141 PolarHBondContact O-N 3.25Å; S138-A141 VanDerWaalsContact O-N 3.12Å; S138-A141 WeakPolarHBondContact OG-CB 3.27Å; S138-A141 PolarHBondContact OG-N 3.32Å; K139-A141 PolarHBondContact O-N 2.91Å; A141-F144 PolarHBondContact O-N 3.03Å; A141-R145 WeakPolarHBondContact O-CB 3.48Å; A141-R145 PolarHBondContact O-N 3.01Å
142	R	93	Very high	93.1	Very high	73 Å²	73	53.1 Å²	53.1	28%	0.275	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-44.3	175.9	-70.4	-169.5	-84	152.8	-11.5	111.5	E137 S138 K139 F144 R145 C146 E324 V329	E137-R142 PolarHBondContact O-NE 2.96Å; S138-R142 PolarHBondContact O-N 3.37Å; K139-R142 PolarHBondContact O-N 3.38Å; R142-F144 PolarHBondContact O-N 3.08Å; R142-R145 WeakPolarHBondContact O-CB 3.26Å; R142-R145 PolarHBondContact O-N 2.86Å; R142-C146 PolarHBondContact O-N 3.17Å; R142-C146 PolarHBondContact O-SG 3.29Å; R142-C146 VanDerWaalsContact O-SG 3.35Å; R142-E324 IonicContact CZ-OE1 3.73Å; R142-E324 IonicContact CZ-OE2 2.73Å; R142-E324 IonicContact NE-OE1 2.73Å; R142-E324 VanDerWaalsContact NH1-CD 3.34Å; R142-E324 IonicContact NH1-OE1 2.92Å; R142-E324 PolarHBondContact NH1-OE1 3.43Å; R142-E324 IonicContact NH1-OE2 3.46Å; R142-E324 PolarHBondContact NH1-OE2 2.72Å; R142-E324 IonicContact NH2-OE1 2.91Å; R142-E324 PolarHBondContact NH2-OE1 2.73Å; R142-E324 IonicContact NH2-OE2 2.72Å; R142-E324 PolarHBondContact NH2-OE2 3.46Å; R142-V329 HydrophobicContact CB-CG2 4.05Å
143	A	92.6	Very high	92.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-56.8	-45.8	173.1	0	0	0	0	0	112.8	K139 R145 C146 F147 F164 I322 V329 F371	K139-A143 WeakPolarHBondContact O-CB 3.33Å; K139-A143 PolarHBondContact O-N 3.27Å; A143-R145 PolarHBondContact O-N 3Å; A143-C146 PolarHBondContact O-N 3.23Å; A143-F147 PolarHBondContact O-N 3.33Å; A143-F164 HydrophobicContact CB-CE2 4.32Å; A143-F164 HydrophobicContact CB-CZ 3.86Å; A143-I322 HydrophobicContact CB-CD1 3.55Å; A143-I322 HydrophobicContact CB-CG1 4.2Å; A143-V329 HydrophobicContact CB-CG1 4Å; A143-F371 HydrophobicContact CB-CE1 3.58Å; A143-F371 HydrophobicContact CB-CE2 4.01Å; A143-F371 HydrophobicContact CB-CZ 3.21Å
144	F	94.4	Very high	91.9	Very high	7 Å²	7	56 Å²	56	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-42.6	177.1	-179.8	-131.6	0	0	0	111.9	L129 V132 L140 A141 R142 C146 F147 Q148 P156 T160 F161 F164	L129-F144 HydrophobicContact CD1-CE1 4.22Å; V132-F144 HydrophobicContact CG2-CD1 4.3Å; L140-F144 WeakPolarHBondContact O-CB 2.93Å; L140-F144 PolarHBondContact O-N 2.87Å; A141-F144 PolarHBondContact O-N 3.03Å; R142-F144 PolarHBondContact O-N 3.08Å; F144-C146 PolarHBondContact O-N 2.85Å; F144-F147 HydrophobicContact CD2-CD1 4.39Å; F144-F147 HydrophobicContact CE2-CD1 4.44Å; F144-F147 WeakPolarHBondContact O-CB 3.33Å; F144-F147 PolarHBondContact O-N 3.2Å; F144-Q148 HydrophobicContact CD2-CG 4.21Å; F144-Q148 HydrophobicContact CE1-CG 4.39Å; F144-Q148 HydrophobicContact CE2-CG 3.84Å; F144-Q148 HydrophobicContact CZ-CG 3.93Å; F144-Q148 WeakPolarHBondContact O-CG 3.49Å; F144-Q148 PolarHBondContact O-N 2.79Å; F144-P156 HydrophobicContact CE1-CB 3.94Å; F144-P156 HydrophobicContact CZ-CB 4.46Å; F144-T160 HydrophobicContact CE2-CG2 4.03Å; F144-T160 HydrophobicContact CZ-CG2 4.04Å; F144-F161 HydrophobicContact CB-CE2 4.34Å; F144-F161 AromaticContact CD1-CD2 3.74Å; F144-F161 HydrophobicContact CD1-CD2 3.74Å; F144-F161 HydrophobicContact CD1-CE2 4.09Å; F144-F161 AromaticContact CD2-CD2 3.81Å; F144-F161 HydrophobicContact CD2-CD2 3.81Å; F144-F161 HydrophobicContact CD2-CE2 4.31Å; F144-F161 AromaticContact CE1-CD2 3.72Å; F144-F161 HydrophobicContact CE1-CD2 3.72Å; F144-F161 HydrophobicContact CE1-CE2 4.49Å; F144-F161 HydrophobicContact CE2-CB 4.29Å; F144-F161 AromaticContact CE2-CD2 3.79Å; F144-F161 HydrophobicContact CE2-CD2 3.79Å; F144-F161 AromaticContact CG-CD2 3.79Å; F144-F161 HydrophobicContact CG-CD2 3.79Å; F144-F161 AromaticContact CG-CE2 3.99Å; F144-F161 HydrophobicContact CG-CE2 3.99Å; F144-F161 HydrophobicContact CZ-CB 4.03Å; F144-F161 AromaticContact CZ-CD2 3.75Å; F144-F161 HydrophobicContact CZ-CD2 3.75Å; F144-F161 HydrophobicContact CZ-CG 4.4Å; F144-F164 HydrophobicContact CB-CD1 4Å; F144-F164 HydrophobicContact CB-CE1 3.77Å; F144-F164 HydrophobicContact CB-CE2 4.5Å; F144-F164 HydrophobicContact CB-CG 4.47Å; F144-F164 HydrophobicContact CB-CZ 4.03Å; F144-F164 HydrophobicContact CD2-CB 3.66Å; F144-F164 AromaticContact CD2-CD1 3.58Å; F144-F164 HydrophobicContact CD2-CD1 3.58Å; F144-F164 HydrophobicContact CD2-CD2 4.16Å; F144-F164 HydrophobicContact CD2-CE1 4.24Å; F144-F164 AromaticContact CD2-CG 3.53Å; F144-F164 HydrophobicContact CD2-CG 3.53Å; F144-F164 HydrophobicContact CE2-CB 3.86Å; F144-F164 HydrophobicContact CE2-CD1 4.43Å; F144-F164 HydrophobicContact CE2-CG 4.25Å; F144-F164 HydrophobicContact CG-CD1 4.1Å; F144-F164 HydrophobicContact CG-CE1 4.36Å; F144-F164 HydrophobicContact CG-CG 4.41Å
145	R	92.6	Very high	91.4	Very high	109 Å²	109	60 Å²	60	41%	0.411	32%	0.324	S	S	.	.	H	α-helix	trans	-60.6	-45	175.2	-171.3	-176.8	-60.7	110.7	3.2	111.6	P136 A141 R142 A143 Q148 V149	P136-R145 PolarHBondContact O-NH1 3.22Å; P136-R145 PolarHBondContact O-NH2 2.89Å; P136-R145 VanDerWaalsContact O-NH2 3.07Å; A141-R145 WeakPolarHBondContact O-CB 3.48Å; A141-R145 PolarHBondContact O-N 3.01Å; R142-R145 WeakPolarHBondContact O-CB 3.26Å; R142-R145 PolarHBondContact O-N 2.86Å; A143-R145 PolarHBondContact O-N 3Å; R145-Q148 PolarHBondContact O-N 3.34Å; R145-V149 WeakPolarHBondContact O-CG2 3.25Å; R145-V149 PolarHBondContact O-N 3.42Å
146	C	90.6	Very high	91.2	Very high	45 Å²	45	59 Å²	59	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-58.6	-47.7	174.2	-70.4	0	0	0	0	111.2	R142 A143 F144 Q148 V149 S150 F371	R142-C146 PolarHBondContact O-N 3.17Å; R142-C146 PolarHBondContact O-SG 3.29Å; R142-C146 VanDerWaalsContact O-SG 3.35Å; A143-C146 PolarHBondContact O-N 3.23Å; F144-C146 PolarHBondContact O-N 2.85Å; C146-Q148 VanDerWaalsContact C-N 3.33Å; C146-Q148 PolarHBondContact O-N 3.38Å; C146-V149 PolarHBondContact O-N 2.97Å; C146-S150 WeakPolarHBondContact O-CB 3.42Å; C146-S150 PolarHBondContact O-N 3.16Å; C146-S150 PolarHBondContact O-OG 3.22Å; C146-S150 VanDerWaalsContact O-OG 3.08Å; C146-F371 HydrophobicContact CB-CD2 3.89Å; C146-F371 HydrophobicContact CB-CE2 4.02Å
147	F	91	Very high	91.2	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-43.6	175.4	174.9	-96.3	0	0	0	112.8	A143 F144 N151 L153 T163 F164 F371 L373	A143-F147 PolarHBondContact O-N 3.33Å; F144-F147 HydrophobicContact CD2-CD1 4.39Å; F144-F147 HydrophobicContact CE2-CD1 4.44Å; F144-F147 WeakPolarHBondContact O-CB 3.33Å; F144-F147 PolarHBondContact O-N 3.2Å; F147-N151 WeakPolarHBondContact CD2-ND2 3.47Å; F147-N151 WeakPolarHBondContact O-CB 3.41Å; F147-N151 PolarHBondContact O-N 3.34Å; F147-N151 VanDerWaalsContact O-N 3.11Å; F147-N151 PolarHBondContact O-ND2 3.47Å; F147-L153 HydrophobicContact CD1-CD1 4.14Å; F147-L153 HydrophobicContact CE1-CD1 3.51Å; F147-L153 HydrophobicContact CZ-CD1 4.15Å; F147-T163 HydrophobicContact CZ-CG2 4.24Å; F147-F164 HydrophobicContact CB-CD2 3.55Å; F147-F164 HydrophobicContact CB-CE2 3.94Å; F147-F164 HydrophobicContact CD1-CB 3.67Å; F147-F164 AromaticContact CD1-CD2 3.88Å; F147-F164 HydrophobicContact CD1-CD2 3.88Å; F147-F164 HydrophobicContact CD1-CG 4.17Å; F147-F164 AromaticContact CD2-CD2 3.99Å; F147-F164 HydrophobicContact CD2-CD2 3.99Å; F147-F164 HydrophobicContact CE1-CB 3.72Å; F147-F164 HydrophobicContact CG-CB 4.2Å; F147-F164 AromaticContact CG-CD2 3.54Å; F147-F164 HydrophobicContact CG-CD2 3.54Å; F147-F164 HydrophobicContact CG-CE2 4.38Å; F147-F164 HydrophobicContact CG-CG 4.29Å; F147-F164 HydrophobicContact CZ-CB 4.29Å; F147-F371 HydrophobicContact CB-CB 3.86Å; F147-F371 HydrophobicContact CB-CG 4.28Å; F147-F371 HydrophobicContact CD2-CB 3.83Å; F147-F371 HydrophobicContact CG-CB 4.36Å; F147-L373 HydrophobicContact CE2-CB 4.44Å; F147-L373 HydrophobicContact CE2-CD1 4.29Å; F147-L373 HydrophobicContact CZ-CD1 3.8Å
148	Q	92.6	Very high	91.3	Very high	31 Å²	31	53.2 Å²	53.2	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-46.2	177.3	-73.8	-176.9	-83	0	0	112	F144 R145 C146 N151 S152 L153 T160	F144-Q148 HydrophobicContact CD2-CG 4.21Å; F144-Q148 HydrophobicContact CE1-CG 4.39Å; F144-Q148 HydrophobicContact CE2-CG 3.84Å; F144-Q148 HydrophobicContact CZ-CG 3.93Å; F144-Q148 WeakPolarHBondContact O-CG 3.49Å; F144-Q148 PolarHBondContact O-N 2.79Å; R145-Q148 PolarHBondContact O-N 3.34Å; C146-Q148 VanDerWaalsContact C-N 3.33Å; C146-Q148 PolarHBondContact O-N 3.38Å; Q148-N151 PolarHBondContact O-N 3.34Å; Q148-S152 PolarHBondContact O-N 2.83Å; Q148-L153 HydrophobicContact CB-CB 4.47Å; Q148-L153 WeakPolarHBondContact CB-O 3.05Å; Q148-L153 HydrophobicContact CG-CB 4.45Å; Q148-L153 PolarHBondContact NE2-O 2.9Å; Q148-L153 PolarHBondContact O-N 3.06Å; Q148-T160 HydrophobicContact CG-CG2 4.39Å
149	V	90.3	Very high	91.4	Very high	109 Å²	109	55.6 Å²	55.6	66%	0.661	31%	0.31	S	S	*	.	H	α-helix	trans	-64.6	-50.5	179	173.1	0	0	0	0	110.8	R145 C146 N151 S152	R145-V149 WeakPolarHBondContact O-CG2 3.25Å; R145-V149 PolarHBondContact O-N 3.42Å; C146-V149 PolarHBondContact O-N 2.97Å; V149-N151 PolarHBondContact O-N 3.1Å; V149-S152 PolarHBondContact O-N 3.2Å
150	S	87.9	Confident	91.5	Very high	48 Å²	48	53 Å²	53	34%	0.336	30%	0.3	S	S	.	.	H	α-helix	trans	-60.1	-29.2	-179	-63	0	0	0	0	113.2	C146	C146-S150 WeakPolarHBondContact O-CB 3.42Å; C146-S150 PolarHBondContact O-N 3.16Å; C146-S150 PolarHBondContact O-OG 3.22Å; C146-S150 VanDerWaalsContact O-OG 3.08Å
151	N	88.3	Confident	91.6	Very high	40 Å²	40	53 Å²	53	21%	0.214	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	11.8	-177	-61.2	-78.8	0	0	0	113.4	F147 Q148 V149 L153 F371 L373	F147-N151 WeakPolarHBondContact CD2-ND2 3.47Å; F147-N151 WeakPolarHBondContact O-CB 3.41Å; F147-N151 PolarHBondContact O-N 3.34Å; F147-N151 VanDerWaalsContact O-N 3.11Å; F147-N151 PolarHBondContact O-ND2 3.47Å; Q148-N151 PolarHBondContact O-N 3.34Å; V149-N151 PolarHBondContact O-N 3.1Å; N151-L153 VanDerWaalsContact C-N 3.31Å; N151-L153 HydrophobicContact CB-CD1 3.96Å; N151-L153 HydrophobicContact CB-CG 3.99Å; N151-L153 PolarHBondContact O-N 3.41Å; N151-F371 PolarHBondContact ND2-O 3.02Å; N151-F371 VanDerWaalsContact ND2-O 3.09Å; N151-L373 WeakPolarHBondContact OD1-CB 3.38Å; N151-L373 PolarHBondContact OD1-N 3.01Å
152	S	89	Confident	91.6	Very high	114 Å²	114	53.1 Å²	53.1	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	39.3	179	-58.9	0	0	0	0	114.5	Q148 V149	Q148-S152 PolarHBondContact O-N 2.83Å; V149-S152 PolarHBondContact O-N 3.2Å
153	L	88.3	Confident	91.7	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.277	30%	0.295	S	S	.	.			trans	-99.1	113.7	-177.9	-56.3	173.5	0	0	0	110.8	F147 Q148 N151 T160	F147-L153 HydrophobicContact CD1-CD1 4.14Å; F147-L153 HydrophobicContact CE1-CD1 3.51Å; F147-L153 HydrophobicContact CZ-CD1 4.15Å; Q148-L153 HydrophobicContact CB-CB 4.47Å; Q148-L153 WeakPolarHBondContact CB-O 3.05Å; Q148-L153 HydrophobicContact CG-CB 4.45Å; Q148-L153 PolarHBondContact NE2-O 2.9Å; Q148-L153 PolarHBondContact O-N 3.06Å; N151-L153 VanDerWaalsContact C-N 3.31Å; N151-L153 HydrophobicContact CB-CD1 3.96Å; N151-L153 HydrophobicContact CB-CG 3.99Å; N151-L153 PolarHBondContact O-N 3.41Å; L153-T160 HydrophobicContact CB-CG2 4Å; L153-T160 HydrophobicContact CD1-CG2 3.91Å
154	S	79.9	Confident	91.8	Very high	111 Å²	111	50.9 Å²	50.9	78%	0.776	30%	0.295	S	S	*	.			trans	-88	-16.3	-169.6	57.4	0	0	0	0	116
155	K	86.6	Confident	91.9	Very high	136 Å²	136	50.6 Å²	50.6	59%	0.591	29%	0.293	S	S	*	.			trans	-114.9	122.7	-172.9	-66.4	-175.6	-179.2	-180	0	112	D157 T160	K155-D157 HydrophobicContact CB-CB 4.49Å; K155-D157 PolarHBondContact O-N 3.29Å; K155-T160 VanDerWaalsContact O-CB 3.3Å; K155-T160 WeakPolarHBondContact O-CB 3.38Å; K155-T160 WeakPolarHBondContact O-CG2 3.45Å; K155-T160 PolarHBondContact O-OG1 3.04Å
156	P	91.7	Very high	92	Very high	75 Å²	75	45.4 Å²	45.4	49%	0.487	27%	0.274	S	S	.	.			trans	-80	60.7	171.4	34.8	-35	0	0	0	110.4	F144	F144-P156 HydrophobicContact CE1-CB 3.94Å; F144-P156 HydrophobicContact CZ-CB 4.46Å
157	D	95.1	Very high	92.1	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	26%	0.26	S	S	.	.			trans	-97.5	171.7	179.8	68.3	21.3	0	0	0	112.9	K155 S159 T160 F161	K155-D157 HydrophobicContact CB-CB 4.49Å; K155-D157 PolarHBondContact O-N 3.29Å; D157-S159 PolarHBondContact O-N 3.33Å; D157-S159 PolarHBondContact OD1-N 3.13Å; D157-T160 PolarHBondContact O-N 2.96Å; D157-T160 VanDerWaalsContact OD1-CB 3.26Å; D157-T160 WeakPolarHBondContact OD1-CB 3.15Å; D157-T160 PolarHBondContact OD1-N 3.31Å; D157-T160 PolarHBondContact OD1-OG1 3.13Å; D157-F161 WeakPolarHBondContact O-CB 3.34Å; D157-F161 PolarHBondContact O-N 2.66Å
158	M	96.5	Very high	92.1	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-54.8	-37.3	179.5	-73.8	-69.7	-73.4	0	0	113.2	P122 I125 A126 L129 R162 M381 L541 L545	P122-M158 WeakPolarHBondContact O-CE 3.44Å; I125-M158 HydrophobicContact CB-CE 3.87Å; I125-M158 HydrophobicContact CB-SD 4.47Å; I125-M158 HydrophobicContact CG2-CE 3.65Å; I125-M158 HydrophobicContact CG2-SD 3.79Å; A126-M158 VanDerWaalsContact CA-SD 3.52Å; A126-M158 HydrophobicContact CB-CE 3.82Å; A126-M158 HydrophobicContact CB-SD 3.88Å; L129-M158 HydrophobicContact CD2-CG 4.43Å; L129-M158 HydrophobicContact CD2-SD 4.16Å; M158-R162 VanDerWaalsContact O-CB 3.23Å; M158-R162 WeakPolarHBondContact O-CB 3.19Å; M158-R162 PolarHBondContact O-N 2.98Å; M158-M381 HydrophobicContact CE-SD 4.14Å; M158-L541 HydrophobicContact SD-CB 4.1Å; M158-L545 HydrophobicContact CB-CD2 3.88Å; M158-L545 HydrophobicContact CE-CD1 3.94Å; M158-L545 HydrophobicContact CE-CD2 3.92Å; M158-L545 HydrophobicContact CE-CG 4.07Å; M158-L545 HydrophobicContact CG-CD2 4.04Å; M158-L545 HydrophobicContact CG-CG 4.5Å
159	S	95.3	Very high	92.2	Very high	69 Å²	69	42.1 Å²	42.1	48%	0.483	26%	0.255	S	S	.	.	H	α-helix	trans	-72.4	-46	-177.7	-174.2	0	0	0	0	111.4	D157 R162 T163	D157-S159 PolarHBondContact O-N 3.33Å; D157-S159 PolarHBondContact OD1-N 3.13Å; S159-R162 PolarHBondContact O-N 3.46Å; S159-T163 WeakPolarHBondContact O-CB 3.35Å; S159-T163 PolarHBondContact O-N 3.03Å; S159-T163 PolarHBondContact O-OG1 3.03Å
160	T	95.2	Very high	92.2	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.117	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-45.9	178.5	-56.7	0	0	0	0	110.4	F144 Q148 L153 K155 D157 T163 F164	F144-T160 HydrophobicContact CE2-CG2 4.03Å; F144-T160 HydrophobicContact CZ-CG2 4.04Å; Q148-T160 HydrophobicContact CG-CG2 4.39Å; L153-T160 HydrophobicContact CB-CG2 4Å; L153-T160 HydrophobicContact CD1-CG2 3.91Å; K155-T160 VanDerWaalsContact O-CB 3.3Å; K155-T160 WeakPolarHBondContact O-CB 3.38Å; K155-T160 WeakPolarHBondContact O-CG2 3.45Å; K155-T160 PolarHBondContact O-OG1 3.04Å; D157-T160 PolarHBondContact O-N 2.96Å; D157-T160 VanDerWaalsContact OD1-CB 3.26Å; D157-T160 WeakPolarHBondContact OD1-CB 3.15Å; D157-T160 PolarHBondContact OD1-N 3.31Å; D157-T160 PolarHBondContact OD1-OG1 3.13Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 2.94Å; T160-F164 PolarHBondContact O-N 3.33Å
161	F	97.1	Very high	92.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-66.4	-40.6	178.3	-167.2	-103.9	0	0	0	112.5	I125 L128 L129 V132 L140 F144 D157 T163 F164 I165	I125-F161 HydrophobicContact CG2-CD1 4.06Å; L128-F161 HydrophobicContact CB-CE1 3.51Å; L128-F161 HydrophobicContact CB-CZ 3.87Å; L129-F161 HydrophobicContact CB-CB 4.37Å; L129-F161 HydrophobicContact CB-CD1 3.77Å; L129-F161 HydrophobicContact CB-CE1 4.21Å; L129-F161 HydrophobicContact CB-CG 3.96Å; L129-F161 HydrophobicContact CD1-CB 4.02Å; L129-F161 HydrophobicContact CD1-CD2 3.94Å; L129-F161 HydrophobicContact CD1-CG 3.91Å; L129-F161 HydrophobicContact CD2-CB 4.15Å; L129-F161 HydrophobicContact CG-CB 4.41Å; L129-F161 HydrophobicContact CG-CG 4.37Å; V132-F161 HydrophobicContact CG1-CE2 4.11Å; V132-F161 HydrophobicContact CG1-CZ 4.19Å; V132-F161 HydrophobicContact CG2-CD2 4.28Å; V132-F161 HydrophobicContact CG2-CE2 3.68Å; V132-F161 HydrophobicContact CG2-CZ 4.19Å; L140-F161 HydrophobicContact CD2-CZ 4.26Å; F144-F161 HydrophobicContact CB-CE2 4.34Å; F144-F161 AromaticContact CD1-CD2 3.74Å; F144-F161 HydrophobicContact CD1-CD2 3.74Å; F144-F161 HydrophobicContact CD1-CE2 4.09Å; F144-F161 AromaticContact CD2-CD2 3.81Å; F144-F161 HydrophobicContact CD2-CD2 3.81Å; F144-F161 HydrophobicContact CD2-CE2 4.31Å; F144-F161 AromaticContact CE1-CD2 3.72Å; F144-F161 HydrophobicContact CE1-CD2 3.72Å; F144-F161 HydrophobicContact CE1-CE2 4.49Å; F144-F161 HydrophobicContact CE2-CB 4.29Å; F144-F161 AromaticContact CE2-CD2 3.79Å; F144-F161 HydrophobicContact CE2-CD2 3.79Å; F144-F161 AromaticContact CG-CD2 3.79Å; F144-F161 HydrophobicContact CG-CD2 3.79Å; F144-F161 AromaticContact CG-CE2 3.99Å; F144-F161 HydrophobicContact CG-CE2 3.99Å; F144-F161 HydrophobicContact CZ-CB 4.03Å; F144-F161 AromaticContact CZ-CD2 3.75Å; F144-F161 HydrophobicContact CZ-CD2 3.75Å; F144-F161 HydrophobicContact CZ-CG 4.4Å; D157-F161 WeakPolarHBondContact O-CB 3.34Å; D157-F161 PolarHBondContact O-N 2.66Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.94Å; F161-F164 HydrophobicContact CD2-CD1 4.12Å; F161-F164 AromaticContact CE2-CD1 3.9Å; F161-F164 HydrophobicContact CE2-CD1 3.9Å; F161-F164 HydrophobicContact CE2-CE1 4.2Å; F161-F164 WeakPolarHBondContact O-CB 3.28Å; F161-F164 PolarHBondContact O-N 2.94Å; F161-I165 HydrophobicContact CD1-CG1 4.09Å; F161-I165 HydrophobicContact CE1-CD1 3.93Å; F161-I165 HydrophobicContact CE1-CG1 3.73Å; F161-I165 HydrophobicContact CZ-CD1 3.88Å; F161-I165 HydrophobicContact CZ-CG1 4.12Å; F161-I165 WeakPolarHBondContact O-CG1 3.3Å; F161-I165 PolarHBondContact O-N 3.42Å
162	R	96.7	Very high	92.3	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.026	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-40.8	172.2	175.2	174.6	171.5	-112.9	16.4	112.1	L120 I125 M158 S159 F164 I165 A166 D179 L379	L120-R162 HydrophobicContact CD1-CG 4.45Å; I125-R162 HydrophobicContact CD1-CB 4.48Å; I125-R162 HydrophobicContact CG1-CB 4.4Å; I125-R162 HydrophobicContact CG2-CB 4.17Å; M158-R162 VanDerWaalsContact O-CB 3.23Å; M158-R162 WeakPolarHBondContact O-CB 3.19Å; M158-R162 PolarHBondContact O-N 2.98Å; S159-R162 PolarHBondContact O-N 3.46Å; R162-F164 VanDerWaalsContact C-N 3.35Å; R162-I165 PolarHBondContact O-N 3.43Å; R162-A166 WeakPolarHBondContact O-CB 3.31Å; R162-A166 PolarHBondContact O-N 3.12Å; R162-D179 IonicContact CZ-OD2 3.6Å; R162-D179 IonicContact NE-OD2 3.33Å; R162-D179 IonicContact NH2-OD2 2.73Å; R162-D179 PolarHBondContact NH2-OD2 3.48Å; R162-L379 PolarHBondContact NH1-O 2.8Å; R162-L379 PolarHBondContact NH2-O 2.82Å; R162-L379 VanDerWaalsContact NH2-O 3.1Å
163	T	94.8	Very high	92.3	Very high	26 Å²	26	29.7 Å²	29.7	16%	0.16	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-39.2	178.8	-56.8	0	0	0	0	111.6	F147 S159 T160 F161 S167 L373 V375	F147-T163 HydrophobicContact CZ-CG2 4.24Å; S159-T163 WeakPolarHBondContact O-CB 3.35Å; S159-T163 PolarHBondContact O-N 3.03Å; S159-T163 PolarHBondContact O-OG1 3.03Å; T160-T163 WeakPolarHBondContact O-CB 3.34Å; T160-T163 PolarHBondContact O-N 2.94Å; F161-T163 VanDerWaalsContact C-N 3.28Å; F161-T163 PolarHBondContact O-N 2.94Å; T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.12Å; T163-S167 PolarHBondContact O-OG 3.4Å; T163-L373 HydrophobicContact CG2-CD1 3.42Å; T163-L373 VanDerWaalsContact CG2-CD1 3.42Å; T163-V375 HydrophobicContact CG2-CG1 3.97Å
164	F	94.5	Very high	92.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-51.7	171.7	165.8	-114	0	0	0	112	L140 A143 F144 F147 T160 F161 R162 A166 S167 C168 F371	L140-F164 HydrophobicContact CD1-CE1 3.64Å; L140-F164 HydrophobicContact CD1-CZ 3.92Å; L140-F164 HydrophobicContact CG-CE1 4.21Å; A143-F164 HydrophobicContact CB-CE2 4.32Å; A143-F164 HydrophobicContact CB-CZ 3.86Å; F144-F164 HydrophobicContact CB-CD1 4Å; F144-F164 HydrophobicContact CB-CE1 3.77Å; F144-F164 HydrophobicContact CB-CE2 4.5Å; F144-F164 HydrophobicContact CB-CG 4.47Å; F144-F164 HydrophobicContact CB-CZ 4.03Å; F144-F164 HydrophobicContact CD2-CB 3.66Å; F144-F164 AromaticContact CD2-CD1 3.58Å; F144-F164 HydrophobicContact CD2-CD1 3.58Å; F144-F164 HydrophobicContact CD2-CD2 4.16Å; F144-F164 HydrophobicContact CD2-CE1 4.24Å; F144-F164 AromaticContact CD2-CG 3.53Å; F144-F164 HydrophobicContact CD2-CG 3.53Å; F144-F164 HydrophobicContact CE2-CB 3.86Å; F144-F164 HydrophobicContact CE2-CD1 4.43Å; F144-F164 HydrophobicContact CE2-CG 4.25Å; F144-F164 HydrophobicContact CG-CD1 4.1Å; F144-F164 HydrophobicContact CG-CE1 4.36Å; F144-F164 HydrophobicContact CG-CG 4.41Å; F147-F164 HydrophobicContact CB-CD2 3.55Å; F147-F164 HydrophobicContact CB-CE2 3.94Å; F147-F164 HydrophobicContact CD1-CB 3.67Å; F147-F164 AromaticContact CD1-CD2 3.88Å; F147-F164 HydrophobicContact CD1-CD2 3.88Å; F147-F164 HydrophobicContact CD1-CG 4.17Å; F147-F164 AromaticContact CD2-CD2 3.99Å; F147-F164 HydrophobicContact CD2-CD2 3.99Å; F147-F164 HydrophobicContact CE1-CB 3.72Å; F147-F164 HydrophobicContact CG-CB 4.2Å; F147-F164 AromaticContact CG-CD2 3.54Å; F147-F164 HydrophobicContact CG-CD2 3.54Å; F147-F164 HydrophobicContact CG-CE2 4.38Å; F147-F164 HydrophobicContact CG-CG 4.29Å; F147-F164 HydrophobicContact CZ-CB 4.29Å; T160-F164 PolarHBondContact O-N 3.33Å; F161-F164 HydrophobicContact CD2-CD1 4.12Å; F161-F164 AromaticContact CE2-CD1 3.9Å; F161-F164 HydrophobicContact CE2-CD1 3.9Å; F161-F164 HydrophobicContact CE2-CE1 4.2Å; F161-F164 WeakPolarHBondContact O-CB 3.28Å; F161-F164 PolarHBondContact O-N 2.94Å; R162-F164 VanDerWaalsContact C-N 3.35Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 3.29Å; F164-S167 PolarHBondContact O-N 3.09Å; F164-S167 VanDerWaalsContact O-N 3.13Å; F164-C168 VanDerWaalsContact CE2-SG 3.52Å; F164-C168 PolarHBondContact O-N 2.95Å; F164-C168 PolarHBondContact O-SG 2.84Å; F164-F371 AromaticContact CE2-CD1 3.79Å; F164-F371 HydrophobicContact CE2-CD1 3.79Å; F164-F371 AromaticContact CE2-CE1 3.89Å; F164-F371 HydrophobicContact CE2-CE1 3.89Å; F164-F371 HydrophobicContact CZ-CE1 4.42Å
165	I	95.9	Very high	93.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.9	-43.8	178.4	-63.3	-64.7	0	0	0	110.9	L120 I125 F161 R162 S167 C168 L169 L314 L318	L120-I165 HydrophobicContact CD1-CG2 4.33Å; L120-I165 HydrophobicContact CD2-CG2 4.23Å; I125-I165 HydrophobicContact CD1-CB 4.39Å; I125-I165 HydrophobicContact CD1-CG1 4.24Å; I125-I165 HydrophobicContact CD1-CG2 4.42Å; F161-I165 HydrophobicContact CD1-CG1 4.09Å; F161-I165 HydrophobicContact CE1-CD1 3.93Å; F161-I165 HydrophobicContact CE1-CG1 3.73Å; F161-I165 HydrophobicContact CZ-CD1 3.88Å; F161-I165 HydrophobicContact CZ-CG1 4.12Å; F161-I165 WeakPolarHBondContact O-CG1 3.3Å; F161-I165 PolarHBondContact O-N 3.42Å; R162-I165 PolarHBondContact O-N 3.43Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.15Å; I165-C168 WeakPolarHBondContact O-CB 3.3Å; I165-C168 PolarHBondContact O-N 3.18Å; I165-L169 HydrophobicContact CG2-CD1 4.14Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.92Å; I165-L314 HydrophobicContact CG2-CD2 4.31Å; I165-L318 HydrophobicContact CD1-CD1 3.54Å
166	A	95.4	Very high	93.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-43.9	175.6	0	0	0	0	0	111.7	R162 F164 C168 L169 F170 V177 V375 M378	R162-A166 WeakPolarHBondContact O-CB 3.31Å; R162-A166 PolarHBondContact O-N 3.12Å; F164-A166 VanDerWaalsContact C-N 3.32Å; F164-A166 PolarHBondContact O-N 3.29Å; A166-C168 VanDerWaalsContact C-N 3.33Å; A166-C168 PolarHBondContact O-N 2.78Å; A166-L169 PolarHBondContact O-N 3.16Å; A166-L169 VanDerWaalsContact O-N 3.17Å; A166-F170 VanDerWaalsContact C-CD2 3.5Å; A166-F170 HydrophobicContact CB-CD2 4.35Å; A166-F170 HydrophobicContact CB-CE2 3.92Å; A166-F170 WeakPolarHBondContact O-CD2 2.94Å; A166-F170 WeakPolarHBondContact O-CG 3.36Å; A166-F170 PolarHBondContact O-N 3.12Å; A166-V177 HydrophobicContact CB-CB 4.04Å; A166-V177 HydrophobicContact CB-CG1 3.92Å; A166-V177 HydrophobicContact CB-CG2 4.2Å; A166-V375 HydrophobicContact CB-CG1 4.31Å; A166-M378 HydrophobicContact CB-CE 4.44Å; A166-M378 HydrophobicContact CB-SD 3.97Å
167	S	92	Very high	94.1	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177.6	-59.2	0	0	0	0	112.6	T163 F164 I165 S171 R374	T163-S167 WeakPolarHBondContact O-CB 3.37Å; T163-S167 PolarHBondContact O-N 3.12Å; T163-S167 PolarHBondContact O-OG 3.4Å; F164-S167 PolarHBondContact O-N 3.09Å; F164-S167 VanDerWaalsContact O-N 3.13Å; I165-S167 VanDerWaalsContact C-N 3.34Å; I165-S167 PolarHBondContact O-N 3.15Å; S167-S171 PolarHBondContact O-N 3.13Å; S167-S171 VanDerWaalsContact O-N 3.12Å; S167-S171 PolarHBondContact O-OG 3.04Å; S167-R374 PolarHBondContact OG-N 3.37Å
168	C	92	Very high	94.2	Very high	4 Å²	4	9.5 Å²	9.5	3%	0.027	6%	0.061	C	C	.	.	H	α-helix	trans	-61	-48.9	171.4	-62.7	0	0	0	0	110.8	F164 I165 A166 F170 S171 I172 L318 F331	F164-C168 VanDerWaalsContact CE2-SG 3.52Å; F164-C168 PolarHBondContact O-N 2.95Å; F164-C168 PolarHBondContact O-SG 2.84Å; I165-C168 WeakPolarHBondContact O-CB 3.3Å; I165-C168 PolarHBondContact O-N 3.18Å; A166-C168 VanDerWaalsContact C-N 3.33Å; A166-C168 PolarHBondContact O-N 2.78Å; C168-F170 PolarHBondContact O-N 2.66Å; C168-S171 WeakPolarHBondContact O-CB 3.44Å; C168-S171 PolarHBondContact O-N 2.88Å; C168-S171 VanDerWaalsContact O-N 3.13Å; C168-I172 WeakPolarHBondContact O-CG2 3.35Å; C168-I172 PolarHBondContact O-N 3.05Å; C168-L318 HydrophobicContact CB-CD2 3.89Å; C168-F331 HydrophobicContact CB-CE1 3.96Å; C168-F331 HydrophobicContact CB-CE2 4.5Å; C168-F331 HydrophobicContact CB-CZ 3.69Å; C168-F331 VanDerWaalsContact SG-CZ 3.58Å
169	L	93.4	Very high	94.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-41.1	179.3	-69.3	172.4	0	0	0	112.8	F98 V118 L120 I165 A166 S171 I172 V174 V177 L314	F98-L169 HydrophobicContact CE1-CD2 4.43Å; V118-L169 HydrophobicContact CB-CD1 4.32Å; V118-L169 HydrophobicContact CG1-CD1 3.89Å; V118-L169 HydrophobicContact CG2-CD1 4.49Å; L120-L169 HydrophobicContact CD2-CD1 4.38Å; I165-L169 HydrophobicContact CG2-CD1 4.14Å; I165-L169 WeakPolarHBondContact O-CG 3.49Å; I165-L169 PolarHBondContact O-N 2.92Å; A166-L169 PolarHBondContact O-N 3.16Å; A166-L169 VanDerWaalsContact O-N 3.17Å; L169-S171 PolarHBondContact O-N 3.35Å; L169-I172 HydrophobicContact CD2-CD1 4.18Å; L169-I172 WeakPolarHBondContact O-CG1 3.36Å; L169-I172 PolarHBondContact O-N 2.99Å; L169-V174 HydrophobicContact CB-CB 4.14Å; L169-V174 HydrophobicContact CB-CG2 3.99Å; L169-V174 HydrophobicContact CD2-CG2 4.39Å; L169-V174 WeakPolarHBondContact O-CB 3.34Å; L169-V174 WeakPolarHBondContact O-CG2 3.39Å; L169-V174 PolarHBondContact O-N 3.39Å; L169-V174 VanDerWaalsContact O-N 3.16Å; L169-V177 HydrophobicContact CB-CG2 3.95Å; L169-V177 HydrophobicContact CD1-CG1 4.4Å; L169-V177 HydrophobicContact CD1-CG2 4.02Å; L169-L314 HydrophobicContact CD2-CD1 4.35Å
170	F	91.5	Very high	94.3	Very high	16 Å²	16	6.3 Å²	6.3	7%	0.07	4%	0.039	C	C	.	.	H	α-helix	trans	-61.5	-35.8	174.5	-69.3	-55.9	0	0	0	111.9	A166 C168 I172 G173 V174 H175 V177 M359 R374 V375	A166-F170 VanDerWaalsContact C-CD2 3.5Å; A166-F170 HydrophobicContact CB-CD2 4.35Å; A166-F170 HydrophobicContact CB-CE2 3.92Å; A166-F170 WeakPolarHBondContact O-CD2 2.94Å; A166-F170 WeakPolarHBondContact O-CG 3.36Å; A166-F170 PolarHBondContact O-N 3.12Å; C168-F170 PolarHBondContact O-N 2.66Å; F170-I172 PolarHBondContact O-N 3.2Å; F170-G173 PolarHBondContact O-N 3.26Å; F170-V174 WeakPolarHBondContact CD1-O 3.35Å; F170-H175 WeakPolarHBondContact CE1-O 3.21Å; F170-V177 HydrophobicContact CD1-CG2 4.42Å; F170-V177 HydrophobicContact CE1-CB 4.43Å; F170-V177 HydrophobicContact CE1-CG2 3.95Å; F170-V177 HydrophobicContact CE2-CB 4.32Å; F170-V177 HydrophobicContact CE2-CG2 4.11Å; F170-V177 HydrophobicContact CZ-CB 3.88Å; F170-V177 HydrophobicContact CZ-CG2 3.77Å; F170-M359 HydrophobicContact CD1-CE 3.79Å; F170-M359 HydrophobicContact CD2-CE 4.14Å; F170-M359 HydrophobicContact CE1-CE 3.91Å; F170-M359 HydrophobicContact CE1-SD 4.12Å; F170-M359 HydrophobicContact CE2-CE 4.26Å; F170-M359 HydrophobicContact CE2-SD 4.37Å; F170-M359 HydrophobicContact CG-CE 3.94Å; F170-M359 HydrophobicContact CZ-CE 4.15Å; F170-M359 HydrophobicContact CZ-SD 4.01Å; F170-R374 HydrophobicContact CB-CB 3.93Å; F170-R374 HydrophobicContact CB-CG 4.17Å; F170-R374 HydrophobicContact CD2-CB 4Å; F170-R374 HydrophobicContact CG-CB 4.31Å; F170-V375 HydrophobicContact CD2-CB 4.36Å; F170-V375 HydrophobicContact CD2-CG1 4.48Å; F170-V375 HydrophobicContact CE2-CB 3.79Å; F170-V375 HydrophobicContact CE2-CG1 3.98Å; F170-V375 HydrophobicContact CE2-CG2 4.31Å
171	S	87.3	Confident	94.3	Very high	28 Å²	28	5.6 Å²	5.6	20%	0.196	3%	0.034	C	C	.	.	H	α-helix	trans	-67.8	-19.2	-179.3	-58.2	0	0	0	0	113.5	S167 C168 L169	S167-S171 PolarHBondContact O-N 3.13Å; S167-S171 VanDerWaalsContact O-N 3.12Å; S167-S171 PolarHBondContact O-OG 3.04Å; C168-S171 WeakPolarHBondContact O-CB 3.44Å; C168-S171 PolarHBondContact O-N 2.88Å; C168-S171 VanDerWaalsContact O-N 3.13Å; L169-S171 PolarHBondContact O-N 3.35Å
172	I	89.1	Confident	94.3	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	5.1	179.3	73	173.4	0	0	0	113.6	F98 L102 C168 L169 F170 V174 F317 L321 F333 H336	F98-I172 HydrophobicContact CE1-CD1 3.91Å; F98-I172 HydrophobicContact CZ-CD1 4.25Å; L102-I172 HydrophobicContact CD1-CB 4.37Å; L102-I172 HydrophobicContact CD1-CD1 3.7Å; L102-I172 HydrophobicContact CD1-CG1 3.98Å; L102-I172 WeakPolarHBondContact CD2-O 3.5Å; C168-I172 WeakPolarHBondContact O-CG2 3.35Å; C168-I172 PolarHBondContact O-N 3.05Å; L169-I172 HydrophobicContact CD2-CD1 4.18Å; L169-I172 WeakPolarHBondContact O-CG1 3.36Å; L169-I172 PolarHBondContact O-N 2.99Å; F170-I172 PolarHBondContact O-N 3.2Å; I172-V174 HydrophobicContact CG1-CG2 4.28Å; I172-F317 HydrophobicContact CD1-CE1 3.46Å; I172-F317 VanDerWaalsContact CD1-CE1 3.46Å; I172-F317 HydrophobicContact CD1-CZ 3.75Å; I172-L321 HydrophobicContact CG2-CD1 3.75Å; I172-F333 HydrophobicContact CB-CD2 4.24Å; I172-F333 HydrophobicContact CB-CE2 3.65Å; I172-F333 HydrophobicContact CB-CZ 4.01Å; I172-F333 HydrophobicContact CG2-CD2 3.52Å; I172-F333 HydrophobicContact CG2-CE2 3.15Å; I172-F333 HydrophobicContact CG2-CZ 4.02Å; I172-H336 PolarHBondContact O-CD2 3.11Å
173	G	91	Very high	94.4	Very high	5 Å²	5	5.5 Å²	5.5	5%	0.052	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	12.3	178.5	0	0	0	0	0	115.4	F170 H175	F170-G173 PolarHBondContact O-N 3.26Å; G173-H175 PolarHBondContact O-CE1 2.98Å; G173-H175 PolarHBondContact O-ND1 2.99Å; G173-H175 VanDerWaalsContact O-ND1 3.12Å
174	V	94.5	Very high	94.6	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.012	3%	0.027	C	C	.	.			trans	-69.3	139.2	163.6	178.1	0	0	0	0	108.7	F98 I116 V118 L169 F170 I172 L176 V177	F98-V174 HydrophobicContact CZ-CG2 3.9Å; I116-V174 HydrophobicContact CG2-CG2 4.2Å; V118-V174 HydrophobicContact CB-CG1 4.1Å; V118-V174 HydrophobicContact CG2-CB 4.28Å; V118-V174 HydrophobicContact CG2-CG1 3.55Å; V118-V174 HydrophobicContact CG2-CG2 3.68Å; L169-V174 HydrophobicContact CB-CB 4.14Å; L169-V174 HydrophobicContact CB-CG2 3.99Å; L169-V174 HydrophobicContact CD2-CG2 4.39Å; L169-V174 WeakPolarHBondContact O-CB 3.34Å; L169-V174 WeakPolarHBondContact O-CG2 3.39Å; L169-V174 PolarHBondContact O-N 3.39Å; L169-V174 VanDerWaalsContact O-N 3.16Å; F170-V174 WeakPolarHBondContact CD1-O 3.35Å; I172-V174 HydrophobicContact CG1-CG2 4.28Å; V174-L176 WeakPolarHBondContact CG1-O 3.38Å; V174-V177 HydrophobicContact CG1-CG2 3.86Å
175	H	95	Very high	94.7	Very high	4 Å²	4	4.6 Å²	4.6	2%	0.019	3%	0.027	C	C	.	.			trans	-99.9	-32.3	-175.9	-58.7	74	0	0	0	111.8	I115 I116 F170 G173 S338 V340 L348 Y352	I115-H175 HydrophobicContact CG2-CB 3.91Å; I116-H175 PolarHBondContact N-ND1 3.17Å; I116-H175 WeakPolarHBondContact O-CB 3.44Å; I116-H175 PolarHBondContact O-N 2.85Å; F170-H175 WeakPolarHBondContact CE1-O 3.21Å; G173-H175 PolarHBondContact O-CE1 2.98Å; G173-H175 PolarHBondContact O-ND1 2.99Å; G173-H175 VanDerWaalsContact O-ND1 3.12Å; H175-S338 PolarHBondContact CD2-O 3.06Å; H175-S338 PolarHBondContact NE2-O 3.08Å; H175-V340 VanDerWaalsContact NE2-CG1 3.33Å; H175-V340 WeakPolarHBondContact NE2-CG1 3.46Å; H175-L348 HydrophobicContact CB-CD1 4.09Å; H175-L348 HydrophobicContact CB-CD2 4.12Å; H175-Y352 WeakPolarHBondContact O-CE1 2.82Å; H175-Y352 PolarHBondContact O-OH 3.28Å
176	L	96.3	Very high	94.8	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	131.5	177.6	174.2	62	0	0	0	109.9	I116 V117 V118 V174 L348 L351 Y352 F355 V357	I116-L176 PolarHBondContact O-N 3.14Å; V117-L176 CarbonylContact C-O 3.48Å; V117-L176 WeakPolarHBondContact CA-O 3.11Å; V117-L176 HydrophobicContact CB-CB 4.47Å; V117-L176 HydrophobicContact CG1-CB 4.07Å; V117-L176 HydrophobicContact CG1-CD2 3.86Å; V117-L176 HydrophobicContact CG1-CG 3.97Å; V117-L176 HydrophobicContact CG2-CB 4.18Å; V117-L176 HydrophobicContact CG2-CD2 4.37Å; V118-L176 PolarHBondContact N-O 3.39Å; V174-L176 WeakPolarHBondContact CG1-O 3.38Å; L176-L348 HydrophobicContact CB-CD1 4.31Å; L176-L351 HydrophobicContact CD2-CB 3.89Å; L176-L351 HydrophobicContact CD2-CD1 4.34Å; L176-Y352 HydrophobicContact CB-CE1 4.45Å; L176-Y352 HydrophobicContact CD1-CD1 3.9Å; L176-Y352 HydrophobicContact CD1-CE1 3.97Å; L176-F355 HydrophobicContact CD2-CD2 3.86Å; L176-F355 HydrophobicContact CD2-CE2 4.33Å; L176-V357 HydrophobicContact CD1-CB 4.24Å; L176-V357 HydrophobicContact CD1-CG1 4.43Å; L176-V357 HydrophobicContact CD1-CG2 3.72Å
177	V	97.3	Very high	95	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.5	167.7	-178.3	0	0	0	0	107.8	V118 L120 A166 L169 F170 V174 M378	V118-V177 HydrophobicContact CB-CG2 4.49Å; V118-V177 CarbonylContact O-C 3.56Å; V118-V177 WeakPolarHBondContact O-CA 3.37Å; L120-V177 HydrophobicContact CD1-CG1 3.45Å; L120-V177 VanDerWaalsContact CD1-CG1 3.45Å; L120-V177 HydrophobicContact CG-CG1 4.1Å; A166-V177 HydrophobicContact CB-CB 4.04Å; A166-V177 HydrophobicContact CB-CG1 3.92Å; A166-V177 HydrophobicContact CB-CG2 4.2Å; L169-V177 HydrophobicContact CB-CG2 3.95Å; L169-V177 HydrophobicContact CD1-CG1 4.4Å; L169-V177 HydrophobicContact CD1-CG2 4.02Å; F170-V177 HydrophobicContact CD1-CG2 4.42Å; F170-V177 HydrophobicContact CE1-CB 4.43Å; F170-V177 HydrophobicContact CE1-CG2 3.95Å; F170-V177 HydrophobicContact CE2-CB 4.32Å; F170-V177 HydrophobicContact CE2-CG2 4.11Å; F170-V177 HydrophobicContact CZ-CB 3.88Å; F170-V177 HydrophobicContact CZ-CG2 3.77Å; V174-V177 HydrophobicContact CG1-CG2 3.86Å; V177-M378 HydrophobicContact CB-CE 4.11Å; V177-M378 HydrophobicContact CG1-CE 4.1Å; V177-M378 WeakPolarHBondContact O-CE 3.46Å
178	T	96.6	Very high	95.3	Very high	7 Å²	7	4.4 Å²	4.4	4%	0.043	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	-174.6	171.8	-170.7	0	0	0	0	108.8	V118 S119 L120 W182 I262	V118-T178 PolarHBondContact O-N 3.48Å; S119-T178 WeakPolarHBondContact CA-O 3.37Å; S119-T178 VanDerWaalsContact OG-CG2 3.23Å; S119-T178 WeakPolarHBondContact OG-CG2 3.35Å; L120-T178 PolarHBondContact N-O 3.44Å; T178-W182 PolarHBondContact OG1-NE1 3.12Å; T178-I262 HydrophobicContact CG2-CD1 4.23Å
179	D	96.2	Very high	95.6	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.016	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	177.9	167.2	61.6	63.2	0	0	0	110.8	L120 R162 T181 W182 M381	L120-D179 CarbonylContact O-C 3.53Å; L120-D179 WeakPolarHBondContact O-CA 3.41Å; L120-D179 WeakPolarHBondContact O-CB 3.37Å; R162-D179 IonicContact CZ-OD2 3.6Å; R162-D179 IonicContact NE-OD2 3.33Å; R162-D179 IonicContact NH2-OD2 2.73Å; R162-D179 PolarHBondContact NH2-OD2 3.48Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 VanDerWaalsContact OD1-CG2 3.27Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.36Å; D179-T181 PolarHBondContact OD1-N 3.13Å; D179-T181 PolarHBondContact OD1-OG1 3.28Å; D179-W182 VanDerWaalsContact O-CD1 3.29Å; D179-W182 PolarHBondContact O-NE1 3.41Å; D179-M381 HydrophobicContact CB-CE 3.55Å
180	V	97.5	Very high	95.8	Very high	8 Å²	8	8 Å²	8	5%	0.048	4%	0.04	C	C	.	.	S	Bend	trans	-97.6	13	-179.3	-59.3	0	0	0	0	113.5	L120 A183 R184 P254 A258 M276	L120-V180 PolarHBondContact O-N 3.37Å; L120-V180 VanDerWaalsContact O-N 3.13Å; V180-A183 PolarHBondContact O-N 2.94Å; V180-R184 WeakPolarHBondContact O-CB 3.33Å; V180-R184 PolarHBondContact O-N 3.45Å; V180-P254 HydrophobicContact CB-CB 4.34Å; V180-A258 HydrophobicContact CG1-CB 4.22Å; V180-M276 HydrophobicContact CB-CE 4.45Å; V180-M276 HydrophobicContact CG1-CE 3.66Å; V180-M276 HydrophobicContact CG2-CE 4.27Å
181	T	97.2	Very high	96.1	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.018	4%	0.038	C	C	.	.	H	α-helix	trans	-67.7	-47.6	-176.4	61.9	0	0	0	0	111.6	P122 D179 A183 R184 D185 M381 Y382	P122-T181 HydrophobicContact CG-CG2 3.53Å; D179-T181 WeakPolarHBondContact OD1-CB 3.39Å; D179-T181 VanDerWaalsContact OD1-CG2 3.27Å; D179-T181 WeakPolarHBondContact OD1-CG2 3.36Å; D179-T181 PolarHBondContact OD1-N 3.13Å; D179-T181 PolarHBondContact OD1-OG1 3.28Å; T181-A183 VanDerWaalsContact C-N 3.31Å; T181-A183 PolarHBondContact O-N 3.24Å; T181-R184 CarbonylContact O-C 3.54Å; T181-R184 WeakPolarHBondContact O-CA 3.42Å; T181-R184 VanDerWaalsContact O-CB 3.32Å; T181-R184 WeakPolarHBondContact O-CB 2.99Å; T181-R184 PolarHBondContact O-N 3.42Å; T181-D185 PolarHBondContact O-N 3.4Å; T181-M381 HydrophobicContact CG2-CG 4.13Å; T181-Y382 HydrophobicContact CG2-CD1 4.5Å; T181-Y382 VanDerWaalsContact CG2-O 3.25Å; T181-Y382 WeakPolarHBondContact CG2-O 3.47Å; T181-Y382 WeakPolarHBondContact OG1-CE1 3.5Å
182	W	97.1	Very high	96.6	Very high	5 Å²	5	6.1 Å²	6.1	2%	0.019	3%	0.029	C	C	.	.	H	α-helix	trans	-60.8	-37.1	174.7	63.3	-91.9	0	0	0	112.8	T178 D179 R184 D185 I186 A258 V261 I262 F355 Y382 L555 V556 L559	T178-W182 PolarHBondContact OG1-NE1 3.12Å; D179-W182 VanDerWaalsContact O-CD1 3.29Å; D179-W182 PolarHBondContact O-NE1 3.41Å; W182-R184 VanDerWaalsContact C-N 3.29Å; W182-D185 WeakPolarHBondContact O-CB 3.49Å; W182-D185 PolarHBondContact O-N 2.87Å; W182-I186 HydrophobicContact CE3-CD1 4.32Å; W182-I186 HydrophobicContact CZ3-CD1 4.42Å; W182-I186 PolarHBondContact O-N 3.12Å; W182-A258 HydrophobicContact CH2-CB 4.15Å; W182-A258 HydrophobicContact CZ2-CB 3.99Å; W182-V261 HydrophobicContact CH2-CB 3.9Å; W182-V261 HydrophobicContact CH2-CG1 4Å; W182-V261 HydrophobicContact CZ3-CB 3.98Å; W182-V261 HydrophobicContact CZ3-CG1 3.89Å; W182-V261 HydrophobicContact CZ3-CG2 4.34Å; W182-I262 HydrophobicContact CZ2-CD1 4.29Å; W182-I262 HydrophobicContact CZ2-CG1 4.35Å; W182-F355 HydrophobicContact CD2-CE1 4.08Å; W182-F355 AromaticContact CE2-CE1 3.55Å; W182-F355 HydrophobicContact CH2-CE1 4.33Å; W182-F355 HydrophobicContact CH2-CZ 4.32Å; W182-F355 AromaticContact CZ2-CE1 3.7Å; W182-F355 HydrophobicContact CZ2-CE1 3.7Å; W182-F355 AromaticContact CZ2-CZ 3.92Å; W182-F355 HydrophobicContact CZ2-CZ 3.92Å; W182-F355 AromaticContact NE1-CE1 3.72Å; W182-Y382 PolarHBondContact N-OH 2.92Å; W182-L555 HydrophobicContact CB-CD2 4.5Å; W182-V556 HydrophobicContact CB-CG2 3.67Å; W182-L559 HydrophobicContact CD2-CD1 4.21Å; W182-L559 HydrophobicContact CE3-CD1 3.66Å; W182-L559 HydrophobicContact CZ3-CD1 4.03Å
183	A	97.9	Very high	97.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70	-32	176.5	0	0	0	0	0	111.2	V180 T181 C187 P254 I257 A258	V180-A183 PolarHBondContact O-N 2.94Å; T181-A183 VanDerWaalsContact C-N 3.31Å; T181-A183 PolarHBondContact O-N 3.24Å; A183-C187 WeakPolarHBondContact O-CB 3.36Å; A183-C187 PolarHBondContact O-N 3.38Å; A183-P254 HydrophobicContact CB-CB 4.41Å; A183-P254 VanDerWaalsContact CB-O 3.31Å; A183-P254 WeakPolarHBondContact CB-O 3.43Å; A183-I257 HydrophobicContact CB-CB 4.25Å; A183-I257 HydrophobicContact CB-CG2 4Å; A183-A258 HydrophobicContact CB-CB 3.82Å
184	R	98	Very high	97.4	Very high	7 Å²	7	9.6 Å²	9.6	3%	0.026	5%	0.045	C	C	.	.	H	α-helix	trans	-69	-34.1	171.6	-178.6	177.6	57.9	-166.6	-1.5	112	V180 T181 W182 C187 L188 P254 Y382 H384 Y542	V180-R184 WeakPolarHBondContact O-CB 3.33Å; V180-R184 PolarHBondContact O-N 3.45Å; T181-R184 CarbonylContact O-C 3.54Å; T181-R184 WeakPolarHBondContact O-CA 3.42Å; T181-R184 VanDerWaalsContact O-CB 3.32Å; T181-R184 WeakPolarHBondContact O-CB 2.99Å; T181-R184 PolarHBondContact O-N 3.42Å; W182-R184 VanDerWaalsContact C-N 3.29Å; R184-C187 WeakPolarHBondContact O-CB 3.46Å; R184-C187 PolarHBondContact O-N 3.47Å; R184-L188 HydrophobicContact CG-CD1 3.86Å; R184-L188 HydrophobicContact CG-CG 4.11Å; R184-L188 WeakPolarHBondContact O-CB 3.39Å; R184-L188 VanDerWaalsContact O-CG 3.26Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.5Å; R184-P254 HydrophobicContact CB-CB 3.98Å; R184-P254 HydrophobicContact CB-CG 3.79Å; R184-P254 HydrophobicContact CG-CG 4.08Å; R184-Y382 PolarHBondContact NH2-O 2.84Å; R184-H384 PolarHBondContact NE-CE1 3.46Å; R184-H384 PolarHBondContact NE-ND1 2.83Å; R184-H384 VanDerWaalsContact NE-ND1 3.11Å; R184-Y542 PolarHBondContact NH1-OH 3.19Å; R184-Y542 VanDerWaalsContact NH1-OH 3.09Å
185	D	98	Very high	97.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.2	-47.4	174.1	-65.2	13.8	0	0	0	111	T181 W182 L188 Y189 Y382 H384 V556	T181-D185 PolarHBondContact O-N 3.4Å; W182-D185 WeakPolarHBondContact O-CB 3.49Å; W182-D185 PolarHBondContact O-N 2.87Å; D185-L188 PolarHBondContact O-N 2.95Å; D185-Y189 WeakPolarHBondContact O-CB 3.44Å; D185-Y189 PolarHBondContact O-N 2.98Å; D185-Y382 VanDerWaalsContact OD1-CE2 3.23Å; D185-Y382 WeakPolarHBondContact OD1-CE2 3.33Å; D185-Y382 PolarHBondContact OD1-OH 3.38Å; D185-Y382 VanDerWaalsContact OD1-OH 3.07Å; D185-Y382 PolarHBondContact OD2-OH 2.99Å; D185-H384 IonicContact OD1-CE1 3.31Å; D185-H384 PolarHBondContact OD1-CE1 2.97Å; D185-H384 IonicContact OD1-NE2 3.31Å; D185-H384 PolarHBondContact OD1-NE2 3.25Å; D185-V556 HydrophobicContact CB-CB 4.41Å; D185-V556 HydrophobicContact CB-CG1 3.64Å; D185-V556 HydrophobicContact CB-CG2 3.99Å
186	I	98.2	Very high	97.8	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.9	-47.3	175.3	-62	176.2	0	0	0	110.1	W182 L188 Y189 E190 I257 V556 L559 Y560 I563 L573	W182-I186 HydrophobicContact CE3-CD1 4.32Å; W182-I186 HydrophobicContact CZ3-CD1 4.42Å; W182-I186 PolarHBondContact O-N 3.12Å; I186-L188 PolarHBondContact O-N 3.16Å; I186-Y189 PolarHBondContact O-N 2.82Å; I186-E190 HydrophobicContact CG2-CG 4.33Å; I186-E190 WeakPolarHBondContact O-CB 3.11Å; I186-E190 WeakPolarHBondContact O-CG 3.23Å; I186-E190 PolarHBondContact O-N 3.17Å; I186-I257 HydrophobicContact CB-CG2 4.28Å; I186-I257 HydrophobicContact CD1-CG2 4.36Å; I186-I257 HydrophobicContact CG2-CD1 4.23Å; I186-I257 HydrophobicContact CG2-CG2 4.22Å; I186-V556 HydrophobicContact CG1-CG1 3.88Å; I186-L559 HydrophobicContact CD1-CB 4.4Å; I186-Y560 HydrophobicContact CG2-CD2 4.06Å; I186-Y560 HydrophobicContact CG2-CE2 4.44Å; I186-I563 HydrophobicContact CD1-CD1 3.96Å; I186-L573 HydrophobicContact CG2-CD1 3.78Å; I186-L573 HydrophobicContact CG2-CD2 3.78Å; I186-L573 HydrophobicContact CG2-CG 4.42Å
187	C	98.3	Very high	97.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-56.3	-47.3	177.6	-170.8	0	0	0	0	112.4	A183 R184 A191 R252 P254 I257 Y392	A183-C187 WeakPolarHBondContact O-CB 3.36Å; A183-C187 PolarHBondContact O-N 3.38Å; R184-C187 WeakPolarHBondContact O-CB 3.46Å; R184-C187 PolarHBondContact O-N 3.47Å; C187-A191 WeakPolarHBondContact O-CB 3.12Å; C187-A191 PolarHBondContact O-N 2.84Å; C187-R252 PolarHBondContact SG-O 3.31Å; C187-P254 HydrophobicContact CB-CG 4.13Å; C187-I257 HydrophobicContact CB-CD1 3.74Å; C187-Y392 PolarHBondContact SG-OH 3.13Å; C187-Y392 VanDerWaalsContact SG-OH 3.36Å
188	L	98.4	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-67.2	-40.6	-179.4	-72.8	168.6	0	0	0	111.6	R184 D185 I186 G192 H384 Y392 C395 P550	R184-L188 HydrophobicContact CG-CD1 3.86Å; R184-L188 HydrophobicContact CG-CG 4.11Å; R184-L188 WeakPolarHBondContact O-CB 3.39Å; R184-L188 VanDerWaalsContact O-CG 3.26Å; R184-L188 WeakPolarHBondContact O-CG 3.47Å; R184-L188 PolarHBondContact O-N 3.5Å; D185-L188 PolarHBondContact O-N 2.95Å; I186-L188 PolarHBondContact O-N 3.16Å; L188-G192 PolarHBondContact O-N 2.92Å; L188-H384 HydrophobicContact CD1-CB 4.24Å; L188-H384 WeakPolarHBondContact CD1-ND1 3.3Å; L188-Y392 HydrophobicContact CD2-CD1 3.39Å; L188-Y392 HydrophobicContact CD2-CD2 4.23Å; L188-Y392 HydrophobicContact CD2-CE1 3.6Å; L188-Y392 HydrophobicContact CD2-CE2 4.4Å; L188-Y392 HydrophobicContact CD2-CG 3.71Å; L188-Y392 HydrophobicContact CG-CD1 4.45Å; L188-Y392 HydrophobicContact CG-CE1 4.22Å; L188-C395 HydrophobicContact CD1-CB 4.41Å; L188-C395 HydrophobicContact CD2-CB 4.02Å; L188-P550 HydrophobicContact CB-CB 4.2Å; L188-P550 HydrophobicContact CB-CG 3.87Å; L188-P550 HydrophobicContact CD1-CG 3.98Å
189	Y	98.1	Very high	97.7	Very high	72 Å²	72	15.8 Å²	15.8	28%	0.282	7%	0.074	S	C	.	.	H	α-helix	trans	-64	-51.4	177.7	-176.8	-110.9	0	0	0	111.4	D185 I186 A191 G192 L193 M399 M551 Y560	D185-Y189 WeakPolarHBondContact O-CB 3.44Å; D185-Y189 PolarHBondContact O-N 2.98Å; I186-Y189 PolarHBondContact O-N 2.82Å; Y189-A191 PolarHBondContact O-N 3.11Å; Y189-G192 WeakPolarHBondContact O-CA 3.29Å; Y189-G192 PolarHBondContact O-N 3.18Å; Y189-G192 VanDerWaalsContact O-N 3.13Å; Y189-L193 HydrophobicContact CD1-CD1 4.1Å; Y189-L193 HydrophobicContact CE1-CD1 3.58Å; Y189-L193 HydrophobicContact CE1-CG 4.33Å; Y189-L193 PolarHBondContact O-N 2.99Å; Y189-M399 HydrophobicContact CD2-CE 3.56Å; Y189-M399 HydrophobicContact CD2-SD 4.47Å; Y189-M399 HydrophobicContact CE2-CE 4.02Å; Y189-M399 HydrophobicContact CG-CE 4.4Å; Y189-M399 WeakPolarHBondContact O-CE 3.46Å; Y189-M551 HydrophobicContact CD1-CE 4.26Å; Y189-M551 HydrophobicContact CD1-CG 4.06Å; Y189-M551 HydrophobicContact CD1-SD 4.08Å; Y189-M551 HydrophobicContact CD2-CG 3.53Å; Y189-M551 HydrophobicContact CE1-CE 4.43Å; Y189-M551 HydrophobicContact CE2-CG 4.16Å; Y189-M551 HydrophobicContact CG-CG 3.47Å; Y189-M551 VanDerWaalsContact CG-CG 3.47Å; Y189-M551 HydrophobicContact CG-SD 3.97Å; Y189-Y560 HydrophobicContact CD1-CD2 4.45Å; Y189-Y560 AromaticContact CD1-CE2 3.91Å; Y189-Y560 HydrophobicContact CD1-CE2 3.91Å; Y189-Y560 HydrophobicContact CE1-CE1 4.17Å; Y189-Y560 HydrophobicContact CE1-CE2 4.2Å; Y189-Y560 AromaticContact CE1-CZ 3.83Å
190	E	98.2	Very high	97.6	Very high	8 Å²	8	21.2 Å²	21.2	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-43.9	178.1	-73.3	-58.4	103.1	0	0	112.3	I186 G192 L193 E194 V251 Y560 L573 H574	I186-E190 HydrophobicContact CG2-CG 4.33Å; I186-E190 WeakPolarHBondContact O-CB 3.11Å; I186-E190 WeakPolarHBondContact O-CG 3.23Å; I186-E190 PolarHBondContact O-N 3.17Å; E190-G192 PolarHBondContact O-N 2.91Å; E190-L193 PolarHBondContact O-N 3.28Å; E190-L193 VanDerWaalsContact O-N 3.16Å; E190-E194 WeakPolarHBondContact O-CB 3.32Å; E190-E194 PolarHBondContact O-N 3.43Å; E190-V251 HydrophobicContact CB-CG1 3.81Å; E190-V251 HydrophobicContact CB-CG2 3.9Å; E190-Y560 HydrophobicContact CG-CE2 4.05Å; E190-Y560 WeakPolarHBondContact OE1-CE2 3.46Å; E190-Y560 PolarHBondContact OE1-OH 3.04Å; E190-L573 HydrophobicContact CG-CB 4.37Å; E190-L573 HydrophobicContact CG-CD1 3.73Å; E190-H574 IonicContact OE2-CE1 3.34Å; E190-H574 PolarHBondContact OE2-CE1 3.31Å; E190-H574 IonicContact OE2-NE2 2.65Å
191	A	98.4	Very high	97.3	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-30.6	177.2	0	0	0	0	0	111.8	C187 Y189 F195 V251 I396	C187-A191 WeakPolarHBondContact O-CB 3.12Å; C187-A191 PolarHBondContact O-N 2.84Å; Y189-A191 PolarHBondContact O-N 3.11Å; A191-F195 WeakPolarHBondContact O-CB 3.43Å; A191-F195 PolarHBondContact O-N 3.49Å; A191-F195 VanDerWaalsContact O-N 3.07Å; A191-V251 HydrophobicContact CB-CB 4.47Å; A191-V251 HydrophobicContact CB-CG2 4.29Å; A191-I396 HydrophobicContact CB-CD1 3.71Å; A191-I396 HydrophobicContact CB-CG1 4.45Å
192	G	98.4	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-49.6	171.1	0	0	0	0	0	112.4	L188 Y189 E190 F195 I196	L188-G192 PolarHBondContact O-N 2.92Å; Y189-G192 WeakPolarHBondContact O-CA 3.29Å; Y189-G192 PolarHBondContact O-N 3.18Å; Y189-G192 VanDerWaalsContact O-N 3.13Å; E190-G192 PolarHBondContact O-N 2.91Å; G192-F195 PolarHBondContact O-N 2.87Å; G192-I196 WeakPolarHBondContact O-CB 3.47Å; G192-I196 VanDerWaalsContact O-CD1 3.29Å; G192-I196 WeakPolarHBondContact O-CD1 3.29Å; G192-I196 VanDerWaalsContact O-CG1 3.22Å; G192-I196 WeakPolarHBondContact O-CG1 3.46Å; G192-I196 PolarHBondContact O-N 3.48Å
193	L	98.2	Very high	95.9	Very high	65 Å²	65	36.6 Å²	36.6	34%	0.34	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-44.6	176.9	-66.6	-178.7	0	0	0	111.9	Y189 E190 F195 I196 E197	Y189-L193 HydrophobicContact CD1-CD1 4.1Å; Y189-L193 HydrophobicContact CE1-CD1 3.58Å; Y189-L193 HydrophobicContact CE1-CG 4.33Å; Y189-L193 PolarHBondContact O-N 2.99Å; E190-L193 PolarHBondContact O-N 3.28Å; E190-L193 VanDerWaalsContact O-N 3.16Å; L193-F195 PolarHBondContact O-N 3.01Å; L193-I196 PolarHBondContact O-N 2.94Å; L193-E197 WeakPolarHBondContact O-CB 3.34Å; L193-E197 PolarHBondContact O-N 2.9Å
194	E	98.1	Very high	94.9	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-59.1	-46.8	177.1	-175.7	-175.7	-135.3	0	0	111.4	E190 I196 E197 H198 L212 S249 N250 V251	E190-E194 WeakPolarHBondContact O-CB 3.32Å; E190-E194 PolarHBondContact O-N 3.43Å; E194-I196 PolarHBondContact O-N 3.08Å; E194-E197 PolarHBondContact O-N 3.4Å; E194-H198 PolarHBondContact O-CD2 2.74Å; E194-H198 PolarHBondContact O-N 2.73Å; E194-L212 HydrophobicContact CG-CD2 4.11Å; E194-S249 WeakPolarHBondContact OE2-CA 3.38Å; E194-S249 WeakPolarHBondContact OE2-CB 3.43Å; E194-S249 PolarHBondContact OE2-OG 2.75Å; E194-N250 WeakPolarHBondContact OE1-CB 3.49Å; E194-N250 PolarHBondContact OE1-N 2.99Å; E194-N250 PolarHBondContact OE2-N 3.36Å; E194-V251 HydrophobicContact CB-CG2 4.43Å
195	F	98.5	Very high	93.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-46	176.6	174.2	-101.6	0	0	0	112.1	A191 G192 L193 E197 H198 F199 L210 L212 I396 A400 L404 L468 F470 D513 Y514	A191-F195 WeakPolarHBondContact O-CB 3.43Å; A191-F195 PolarHBondContact O-N 3.49Å; A191-F195 VanDerWaalsContact O-N 3.07Å; G192-F195 PolarHBondContact O-N 2.87Å; L193-F195 PolarHBondContact O-N 3.01Å; F195-E197 VanDerWaalsContact C-N 3.31Å; F195-E197 PolarHBondContact O-N 2.8Å; F195-H198 PolarHBondContact O-N 3.18Å; F195-F199 HydrophobicContact CE1-CB 4.46Å; F195-F199 HydrophobicContact CE1-CD2 4.44Å; F195-F199 HydrophobicContact CE2-CD2 4.47Å; F195-F199 HydrophobicContact CZ-CB 4.37Å; F195-F199 AromaticContact CZ-CD2 3.84Å; F195-F199 HydrophobicContact CZ-CD2 3.84Å; F195-F199 HydrophobicContact CZ-CG 4.43Å; F195-F199 WeakPolarHBondContact O-CB 3.49Å; F195-F199 PolarHBondContact O-N 2.7Å; F195-L210 HydrophobicContact CD2-CD2 4.26Å; F195-L210 HydrophobicContact CE2-CD2 4.05Å; F195-L212 HydrophobicContact CB-CD2 3.96Å; F195-L212 HydrophobicContact CD2-CB 4.27Å; F195-L212 HydrophobicContact CD2-CD2 4.37Å; F195-I396 HydrophobicContact CB-CG2 3.78Å; F195-I396 HydrophobicContact CD1-CG2 3.9Å; F195-I396 HydrophobicContact CG-CG2 3.9Å; F195-A400 HydrophobicContact CD1-CB 3.77Å; F195-A400 HydrophobicContact CE1-CB 3.64Å; F195-L404 HydrophobicContact CE1-CD1 4.36Å; F195-L468 HydrophobicContact CE1-CD2 4.27Å; F195-L468 HydrophobicContact CZ-CD2 4.08Å; F195-F470 AromaticContact CD1-CZ 3.92Å; F195-F470 HydrophobicContact CD1-CZ 3.92Å; F195-F470 AromaticContact CE1-CE1 3.79Å; F195-F470 HydrophobicContact CE1-CE1 3.79Å; F195-F470 AromaticContact CE1-CZ 3.52Å; F195-F470 HydrophobicContact CE1-CZ 3.52Å; F195-F470 HydrophobicContact CE2-CE1 4.16Å; F195-F470 HydrophobicContact CE2-CZ 4.15Å; F195-F470 HydrophobicContact CG-CZ 4.4Å; F195-F470 AromaticContact CZ-CE1 3.52Å; F195-F470 HydrophobicContact CZ-CE1 3.52Å; F195-F470 AromaticContact CZ-CZ 3.64Å; F195-F470 HydrophobicContact CZ-CZ 3.64Å; F195-D513 HydrophobicContact CE2-CB 3.76Å; F195-D513 HydrophobicContact CZ-CB 3.72Å; F195-Y514 AromaticContact CD2-CD2 3.99Å; F195-Y514 HydrophobicContact CD2-CD2 3.99Å; F195-Y514 HydrophobicContact CD2-CG 4.42Å; F195-Y514 HydrophobicContact CG-CD2 4.42Å
196	I	98.3	Very high	91.4	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.046	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-43.5	179.4	-73	160.5	0	0	0	110.5	G192 L193 E194 F199 K200 M399 A400 E403 L404	G192-I196 WeakPolarHBondContact O-CB 3.47Å; G192-I196 VanDerWaalsContact O-CD1 3.29Å; G192-I196 WeakPolarHBondContact O-CD1 3.29Å; G192-I196 VanDerWaalsContact O-CG1 3.22Å; G192-I196 WeakPolarHBondContact O-CG1 3.46Å; G192-I196 PolarHBondContact O-N 3.48Å; L193-I196 PolarHBondContact O-N 2.94Å; E194-I196 PolarHBondContact O-N 3.08Å; I196-F199 PolarHBondContact O-N 2.84Å; I196-K200 HydrophobicContact CG2-CD 4.15Å; I196-K200 WeakPolarHBondContact O-CG 3.48Å; I196-K200 PolarHBondContact O-N 3.3Å; I196-M399 HydrophobicContact CD1-CB 4.42Å; I196-A400 HydrophobicContact CG1-CB 4.2Å; I196-E403 HydrophobicContact CD1-CB 3.8Å; I196-E403 HydrophobicContact CD1-CG 3.91Å; I196-E403 HydrophobicContact CG1-CB 4.46Å; I196-E403 HydrophobicContact CG1-CG 4.41Å; I196-E403 HydrophobicContact CG2-CG 3.67Å; I196-L404 HydrophobicContact CG1-CG 4.39Å; I196-L404 HydrophobicContact CG2-CD2 3.91Å; I196-L404 HydrophobicContact CG2-CG 4.46Å
197	E	96.4	Very high	89.7	Confident	98 Å²	98	59.8 Å²	59.8	46%	0.458	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-49.4	176.8	-175.6	-179.1	174.9	0	0	111.6	L193 E194 F195 F199 K200 K201	L193-E197 WeakPolarHBondContact O-CB 3.34Å; L193-E197 PolarHBondContact O-N 2.9Å; E194-E197 PolarHBondContact O-N 3.4Å; F195-E197 VanDerWaalsContact C-N 3.31Å; F195-E197 PolarHBondContact O-N 2.8Å; E197-F199 VanDerWaalsContact C-N 3.26Å; E197-F199 PolarHBondContact O-N 2.83Å; E197-K200 PolarHBondContact O-N 3.3Å; E197-K201 HydrophobicContact CG-CD 4.24Å; E197-K201 WeakPolarHBondContact O-CG 2.97Å; E197-K201 PolarHBondContact O-N 2.83Å; E197-K201 VanDerWaalsContact O-N 3.16Å; E197-K201 IonicContact OE1-NZ 3.9Å; E197-K201 PolarHBondContact OE1-NZ 2.82Å
198	H	95.7	Very high	88.7	Confident	26 Å²	26	63 Å²	63	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-38.4	177.4	-75.6	-163	0	0	0	111.8	E194 F195 K201 R202 T209 L210	E194-H198 PolarHBondContact O-CD2 2.74Å; E194-H198 PolarHBondContact O-N 2.73Å; F195-H198 PolarHBondContact O-N 3.18Å; H198-K201 PolarHBondContact O-N 3.12Å; H198-R202 PolarHBondContact O-N 2.79Å; H198-T209 VanDerWaalsContact CG-OG1 3.3Å; H198-T209 WeakPolarHBondContact ND1-CB 3.38Å; H198-T209 PolarHBondContact ND1-OG1 3.3Å; H198-L210 HydrophobicContact CB-CD2 3.94Å; H198-L210 HydrophobicContact CB-CG 4.28Å
199	F	95.9	Very high	88.1	Confident	10 Å²	10	64.4 Å²	64.4	4%	0.044	32%	0.317	C	S	.	.	H	α-helix	trans	-69.5	-40.4	178.4	-166.6	-85.7	0	0	0	113	F195 I196 E197 K201 R202 L210 L404 F405 L468 D513	F195-F199 HydrophobicContact CE1-CB 4.46Å; F195-F199 HydrophobicContact CE1-CD2 4.44Å; F195-F199 HydrophobicContact CE2-CD2 4.47Å; F195-F199 HydrophobicContact CZ-CB 4.37Å; F195-F199 AromaticContact CZ-CD2 3.84Å; F195-F199 HydrophobicContact CZ-CD2 3.84Å; F195-F199 HydrophobicContact CZ-CG 4.43Å; F195-F199 WeakPolarHBondContact O-CB 3.49Å; F195-F199 PolarHBondContact O-N 2.7Å; I196-F199 PolarHBondContact O-N 2.84Å; E197-F199 VanDerWaalsContact C-N 3.26Å; E197-F199 PolarHBondContact O-N 2.83Å; F199-K201 PolarHBondContact O-N 2.81Å; F199-R202 WeakPolarHBondContact O-CB 3.3Å; F199-R202 WeakPolarHBondContact O-CD 3.25Å; F199-R202 VanDerWaalsContact O-CG 3.24Å; F199-R202 WeakPolarHBondContact O-CG 3.24Å; F199-R202 PolarHBondContact O-N 2.81Å; F199-L210 HydrophobicContact CB-CD1 4.35Å; F199-L210 HydrophobicContact CD2-CD1 3.95Å; F199-L404 HydrophobicContact CB-CD1 4.09Å; F199-L404 HydrophobicContact CD1-CD1 3.51Å; F199-L404 HydrophobicContact CD1-CD2 4.08Å; F199-L404 HydrophobicContact CD1-CG 4.37Å; F199-L404 HydrophobicContact CE1-CD1 3.96Å; F199-L404 HydrophobicContact CG-CD1 3.82Å; F199-F405 AromaticContact CE1-CZ 3.9Å; F199-F405 HydrophobicContact CE1-CZ 3.9Å; F199-F405 AromaticContact CZ-CZ 3.94Å; F199-F405 HydrophobicContact CZ-CZ 3.94Å; F199-L468 HydrophobicContact CD2-CD2 3.98Å; F199-L468 HydrophobicContact CE1-CD2 4.47Å; F199-L468 HydrophobicContact CE2-CD2 3.34Å; F199-L468 HydrophobicContact CZ-CD2 3.59Å; F199-D513 HydrophobicContact CE2-CB 4.48Å
200	K	94.7	Very high	87.8	Confident	118 Å²	118	62.3 Å²	62.3	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-62.7	-30.8	175	-74.1	175.6	-179.7	176.6	0	111.9	I196 E197 E403 L404	I196-K200 HydrophobicContact CG2-CD 4.15Å; I196-K200 WeakPolarHBondContact O-CG 3.48Å; I196-K200 PolarHBondContact O-N 3.3Å; E197-K200 PolarHBondContact O-N 3.3Å; K200-E403 IonicContact NZ-OE1 3.43Å; K200-E403 PolarHBondContact NZ-OE1 2.91Å; K200-L404 HydrophobicContact CD-CD2 4.29Å; K200-L404 HydrophobicContact CG-CD2 3.73Å
201	K	91.9	Very high	87.7	Confident	85 Å²	85	62.1 Å²	62.1	37%	0.37	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.5	179.6	-67.3	175.7	176.8	174.8	0	114.8	E197 H198 F199 D203 D204	E197-K201 HydrophobicContact CG-CD 4.24Å; E197-K201 WeakPolarHBondContact O-CG 2.97Å; E197-K201 PolarHBondContact O-N 2.83Å; E197-K201 VanDerWaalsContact O-N 3.16Å; E197-K201 IonicContact OE1-NZ 3.9Å; E197-K201 PolarHBondContact OE1-NZ 2.82Å; H198-K201 PolarHBondContact O-N 3.12Å; F199-K201 PolarHBondContact O-N 2.81Å; K201-D203 PolarHBondContact O-N 3.39Å; K201-D203 VanDerWaalsContact O-N 3.11Å; K201-D204 VanDerWaalsContact O-CB 3.25Å; K201-D204 WeakPolarHBondContact O-CB 3.27Å; K201-D204 PolarHBondContact O-N 2.77Å
202	R	85.3	Confident	87.6	Confident	122 Å²	122	62 Å²	62	46%	0.46	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.2	-171.9	75	-175.1	179.4	-179.7	-10	114.9	H198 F199 D204 L210	H198-R202 PolarHBondContact O-N 2.79Å; F199-R202 WeakPolarHBondContact O-CB 3.3Å; F199-R202 WeakPolarHBondContact O-CD 3.25Å; F199-R202 VanDerWaalsContact O-CG 3.24Å; F199-R202 WeakPolarHBondContact O-CG 3.24Å; F199-R202 PolarHBondContact O-N 2.81Å; R202-D204 VanDerWaalsContact C-N 3.32Å; R202-L210 HydrophobicContact CB-CD1 4.07Å
203	D	80	Confident	87.6	Confident	131 Å²	131	62 Å²	62	70%	0.701	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.8	180	-63.6	-46.5	0	0	0	111.6	K201 K205	K201-D203 PolarHBondContact O-N 3.39Å; K201-D203 VanDerWaalsContact O-N 3.11Å; D203-K205 PolarHBondContact O-N 3.04Å
204	D	76.8	Confident	87.6	Confident	91 Å²	91	59 Å²	59	49%	0.487	29%	0.293	S	S	.	.			trans	-75.9	108.5	172.9	-62.6	-27.9	0	0	0	109.4	K201 R202 C206 T207	K201-D204 VanDerWaalsContact O-CB 3.25Å; K201-D204 WeakPolarHBondContact O-CB 3.27Å; K201-D204 PolarHBondContact O-N 2.77Å; R202-D204 VanDerWaalsContact C-N 3.32Å; D204-C206 PolarHBondContact O-N 3.31Å; D204-T207 PolarHBondContact O-N 3.26Å
205	K	63.5	Low	87.5	Confident	213 Å²	213	58.4 Å²	58.4	93%	0.926	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-10.1	-178.8	-65.9	-174	179.1	-179.2	0	114.9	D203	D203-K205 PolarHBondContact O-N 3.04Å
206	C	57.8	Low	87.3	Confident	128 Å²	128	59 Å²	59	87%	0.865	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-19.7	-176.1	-67.2	0	0	0	0	114.2	D204	D204-C206 PolarHBondContact O-N 3.31Å
207	T	62.1	Low	87.2	Confident	63 Å²	63	59.2 Å²	59.2	39%	0.387	30%	0.296	S	S	.	.			trans	-136.7	100.6	-172.7	52.2	0	0	0	0	112.6	D204 T209	D204-T207 PolarHBondContact O-N 3.26Å; T207-T209 PolarHBondContact O-N 3.05Å
208	D	77.2	Confident	87	Confident	68 Å²	68	55 Å²	55	36%	0.364	28%	0.277	S	S	.	.			trans	-90.8	71.2	174.7	-161.4	16.5	0	0	0	110	H247 K493	D208-H247 PolarHBondContact O-CE1 2.77Å; D208-K493 VanDerWaalsContact CG-NZ 3.33Å; D208-K493 IonicContact OD1-NZ 3.68Å; D208-K493 PolarHBondContact OD1-NZ 3.47Å; D208-K493 IonicContact OD2-NZ 2.71Å; D208-K493 PolarHBondContact OD2-NZ 3Å
209	T	86.1	Confident	86.7	Confident	29 Å²	29	53.9 Å²	53.9	18%	0.178	27%	0.273	C	S	.	.			trans	-96	-13	-178.8	58.4	0	0	0	0	113.5	H198 T207 P211 H247	H198-T209 VanDerWaalsContact CG-OG1 3.3Å; H198-T209 WeakPolarHBondContact ND1-CB 3.38Å; H198-T209 PolarHBondContact ND1-OG1 3.3Å; T207-T209 PolarHBondContact O-N 3.05Å; T209-P211 CarbonylContact O-C 3.44Å; T209-H247 PolarHBondContact O-ND1 2.79Å; T209-H247 VanDerWaalsContact O-ND1 3.14Å
210	L	92.5	Very high	86.5	Confident	28 Å²	28	53.4 Å²	53.4	15%	0.147	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-93	141.7	174	-70.1	-174.9	0	0	0	111.6	F195 H198 F199 R202 L212 H247	F195-L210 HydrophobicContact CD2-CD2 4.26Å; F195-L210 HydrophobicContact CE2-CD2 4.05Å; H198-L210 HydrophobicContact CB-CD2 3.94Å; H198-L210 HydrophobicContact CB-CG 4.28Å; F199-L210 HydrophobicContact CB-CD1 4.35Å; F199-L210 HydrophobicContact CD2-CD1 3.95Å; R202-L210 HydrophobicContact CB-CD1 4.07Å; L210-L212 HydrophobicContact CD2-CB 4.02Å; L210-H247 PolarHBondContact O-CE1 3.14Å; L210-H247 PolarHBondContact O-ND1 3.48Å
211	P	95.4	Very high	86.4	Confident	4 Å²	4	48 Å²	48	3%	0.026	25%	0.248	C	C	.	.	S	Bend	cis	-69.2	152.6	3.1	33.7	-42.4	0	0	0	113.9	T209 F213 H247 L486 Y510 F512 D513	T209-P211 CarbonylContact O-C 3.44Å; P211-F213 HydrophobicContact CB-CE2 4.33Å; P211-F213 HydrophobicContact CG-CD2 4.36Å; P211-F213 HydrophobicContact CG-CE2 3.65Å; P211-F213 HydrophobicContact CG-CZ 4.36Å; P211-H247 WeakPolarHBondContact O-CB 3.47Å; P211-H247 PolarHBondContact O-ND1 2.92Å; P211-L486 HydrophobicContact CG-CD1 3.98Å; P211-L486 HydrophobicContact CG-CD2 4.2Å; P211-Y510 HydrophobicContact CB-CD1 3.55Å; P211-Y510 HydrophobicContact CB-CE1 3.23Å; P211-Y510 HydrophobicContact CG-CD1 3.43Å; P211-Y510 VanDerWaalsContact CG-CD1 3.43Å; P211-Y510 HydrophobicContact CG-CD2 4.47Å; P211-Y510 HydrophobicContact CG-CE1 3.24Å; P211-Y510 HydrophobicContact CG-CE2 4.31Å; P211-Y510 HydrophobicContact CG-CG 4.05Å; P211-F512 WeakPolarHBondContact CB-O 3.37Å; P211-D513 CarbonylContact C-O 3.56Å; P211-D513 VanDerWaalsContact CA-O 3.26Å; P211-D513 WeakPolarHBondContact CA-O 3.37Å
212	L	97.7	Very high	86.1	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.4	172.9	-170.4	64.5	0	0	0	110.7	E194 F195 L210 H247 D513 Y514 V515	E194-L212 HydrophobicContact CG-CD2 4.11Å; F195-L212 HydrophobicContact CB-CD2 3.96Å; F195-L212 HydrophobicContact CD2-CB 4.27Å; F195-L212 HydrophobicContact CD2-CD2 4.37Å; L210-L212 HydrophobicContact CD2-CB 4.02Å; L212-H247 CarbonylContact C-O 3.49Å; L212-H247 WeakPolarHBondContact CA-O 3.22Å; L212-D513 PolarHBondContact N-O 2.93Å; L212-Y514 HydrophobicContact CB-CD2 4.07Å; L212-Y514 HydrophobicContact CD2-CD2 4.33Å; L212-Y514 HydrophobicContact CD2-CE2 4.39Å; L212-Y514 HydrophobicContact CG-CD2 4.32Å; L212-Y514 HydrophobicContact CG-CE2 4.43Å; L212-Y514 CarbonylContact O-C 3.19Å; L212-Y514 VanDerWaalsContact O-CA 3.24Å; L212-Y514 WeakPolarHBondContact O-CA 3.48Å; L212-Y514 WeakPolarHBondContact O-CD2 3.45Å; L212-V515 PolarHBondContact O-N 2.99Å
213	F	97.8	Very high	86.1	Confident	1 Å²	1	41.3 Å²	41.3	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.8	176.4	-71.7	-98.8	0	0	0	110.3	P211 W220 I244 H247 S249 I482 L486 Y510 V515 V517	P211-F213 HydrophobicContact CB-CE2 4.33Å; P211-F213 HydrophobicContact CG-CD2 4.36Å; P211-F213 HydrophobicContact CG-CE2 3.65Å; P211-F213 HydrophobicContact CG-CZ 4.36Å; F213-W220 HydrophobicContact CB-CZ2 3.97Å; F213-W220 HydrophobicContact CD1-CH2 4.19Å; F213-W220 AromaticContact CD1-CZ2 3.75Å; F213-W220 HydrophobicContact CD1-CZ2 3.75Å; F213-W220 HydrophobicContact CE1-CH2 4.41Å; F213-W220 HydrophobicContact CE1-CZ2 4.41Å; F213-W220 AromaticContact CG-CZ2 3.9Å; F213-W220 HydrophobicContact CG-CZ2 3.9Å; F213-I244 HydrophobicContact CE2-CD1 4.14Å; F213-I244 HydrophobicContact CE2-CG1 4.45Å; F213-I244 HydrophobicContact CZ-CD1 4.22Å; F213-H247 HydrophobicContact CD2-CB 3.89Å; F213-H247 HydrophobicContact CE2-CB 4.24Å; F213-H247 PolarHBondContact N-O 3.02Å; F213-S249 WeakPolarHBondContact O-CB 3.42Å; F213-S249 PolarHBondContact O-N 3.44Å; F213-I482 HydrophobicContact CE1-CG2 3.86Å; F213-I482 HydrophobicContact CZ-CG2 4.11Å; F213-L486 HydrophobicContact CE2-CD2 3.99Å; F213-Y510 WeakPolarHBondContact CZ-OH 3.37Å; F213-V515 WeakPolarHBondContact CA-O 3.48Å; F213-V515 HydrophobicContact CD1-CB 3.67Å; F213-V515 HydrophobicContact CD1-CG1 4.09Å; F213-V515 HydrophobicContact CD1-CG2 4.13Å; F213-V515 HydrophobicContact CE1-CB 3.82Å; F213-V515 HydrophobicContact CE1-CG1 4.03Å; F213-V515 HydrophobicContact CE1-CG2 3.85Å; F213-V515 HydrophobicContact CG-CB 4.3Å; F213-V515 HydrophobicContact CZ-CG2 4.16Å; F213-V517 HydrophobicContact CD1-CG2 3.7Å; F213-V517 HydrophobicContact CE1-CG2 4.27Å
214	S	97.3	Very high	86.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.6	141.3	170.5	69.1	0	0	0	0	111	W220 Y514 V515 V517	S214-W220 PolarHBondContact O-NE1 2.99Å; S214-W220 VanDerWaalsContact O-NE1 3.12Å; S214-Y514 VanDerWaalsContact CB-OH 3.27Å; S214-Y514 WeakPolarHBondContact CB-OH 3.47Å; S214-V515 PolarHBondContact N-O 2.83Å; S214-V517 PolarHBondContact OG-N 3.18Å
215	S	95.8	Very high	86.8	Confident	2 Å²	2	31.4 Å²	31.4	1%	0.014	17%	0.17	C	C	.	.			trans	-103	2.1	-179.2	58.3	0	0	0	0	114.5	C217 I221 S249 V251 Y577	S215-C217 PolarHBondContact O-N 2.92Å; S215-I221 WeakPolarHBondContact O-CG1 3.39Å; S215-S249 WeakPolarHBondContact CB-O 3.23Å; S215-S249 PolarHBondContact OG-O 2.87Å; S215-S249 VanDerWaalsContact OG-O 3.05Å; S215-V251 PolarHBondContact OG-O 2.8Å; S215-Y577 VanDerWaalsContact CB-OH 3.29Å; S215-Y577 WeakPolarHBondContact CB-OH 3.07Å
216	I	95.7	Very high	87.4	Confident	12 Å²	12	24.6 Å²	24.6	6%	0.062	14%	0.14	C	C	.	.			trans	-72.2	-17.7	-166.1	69.5	73.4	0	0	0	114.2	P218 K281 Y392 M518	I216-P218 VanDerWaalsContact O-CD 3.3Å; I216-P218 WeakPolarHBondContact O-CD 3.21Å; I216-K281 PolarHBondContact O-NZ 3.32Å; I216-Y392 HydrophobicContact CB-CE2 4.42Å; I216-Y392 HydrophobicContact CG1-CD2 4.23Å; I216-Y392 HydrophobicContact CG1-CE2 3.85Å; I216-Y392 HydrophobicContact CG2-CD1 4.32Å; I216-Y392 HydrophobicContact CG2-CE1 3.61Å; I216-Y392 HydrophobicContact CG2-CE2 4.19Å; I216-M518 HydrophobicContact CD1-CE 3.33Å; I216-M518 HydrophobicContact CD1-SD 3.33Å; I216-M518 WeakPolarHBondContact CD1-SD 3.34Å; I216-M518 HydrophobicContact CG1-CE 3.85Å; I216-M518 HydrophobicContact CG1-SD 4.43Å
217	C	95.6	Very high	87.6	Confident	14 Å²	14	19.4 Å²	19.4	10%	0.095	11%	0.105	C	C	.	.			trans	-95.2	107.9	-178.3	-179.9	0	0	0	0	110.1	S215 G219 W220 I221 V517 M518 A519	S215-C217 PolarHBondContact O-N 2.92Å; C217-G219 VanDerWaalsContact C-N 3.35Å; C217-G219 PolarHBondContact O-N 2.91Å; C217-W220 HydrophobicContact CB-CB 3.91Å; C217-W220 VanDerWaalsContact O-CB 3.3Å; C217-W220 WeakPolarHBondContact O-CB 3.45Å; C217-W220 PolarHBondContact O-N 2.81Å; C217-W220 VanDerWaalsContact O-N 3.08Å; C217-I221 PolarHBondContact O-N 3.41Å; C217-V517 VanDerWaalsContact CB-O 3.31Å; C217-V517 WeakPolarHBondContact CB-O 3.09Å; C217-M518 HydrophobicContact CB-SD 4.21Å; C217-A519 PolarHBondContact SG-N 2.88Å
218	P	92.4	Very high	87.3	Confident	8 Å²	8	17.3 Å²	17.3	5%	0.052	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-34.7	-178.6	23.7	-36	0	0	0	114	I216 W220 I221 C222 D280 K281 E284	I216-P218 VanDerWaalsContact O-CD 3.3Å; I216-P218 WeakPolarHBondContact O-CD 3.21Å; P218-W220 VanDerWaalsContact C-N 3.26Å; P218-W220 PolarHBondContact O-N 2.83Å; P218-I221 PolarHBondContact O-N 3.18Å; P218-I221 VanDerWaalsContact O-N 3.16Å; P218-C222 PolarHBondContact O-N 3.33Å; P218-C222 PolarHBondContact O-SG 2.88Å; P218-D280 HydrophobicContact CB-CB 3.87Å; P218-D280 WeakPolarHBondContact CB-O 2.95Å; P218-D280 HydrophobicContact CG-CB 3.52Å; P218-K281 HydrophobicContact CG-CD 4.03Å; P218-K281 HydrophobicContact CG-CG 4.32Å; P218-E284 HydrophobicContact CB-CB 4.07Å
219	G	89.7	Confident	86	Confident	3 Å²	3	16.6 Å²	16.6	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-62.9	-32.9	173.8	0	0	0	0	0	113	C217 Y223 D280	C217-G219 VanDerWaalsContact C-N 3.35Å; C217-G219 PolarHBondContact O-N 2.91Å; G219-Y223 PolarHBondContact O-N 2.8Å; G219-D280 WeakPolarHBondContact CA-OD2 3.19Å; G219-D280 PolarHBondContact N-OD2 3.37Å
220	W	91.6	Very high	83.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-45.8	170.8	156.6	-118.4	0	0	0	111.6	F213 S214 C217 P218 C222 Y223 A224 I244 I248 I479 V483 V517	F213-W220 HydrophobicContact CB-CZ2 3.97Å; F213-W220 HydrophobicContact CD1-CH2 4.19Å; F213-W220 AromaticContact CD1-CZ2 3.75Å; F213-W220 HydrophobicContact CD1-CZ2 3.75Å; F213-W220 HydrophobicContact CE1-CH2 4.41Å; F213-W220 HydrophobicContact CE1-CZ2 4.41Å; F213-W220 AromaticContact CG-CZ2 3.9Å; F213-W220 HydrophobicContact CG-CZ2 3.9Å; S214-W220 PolarHBondContact O-NE1 2.99Å; S214-W220 VanDerWaalsContact O-NE1 3.12Å; C217-W220 HydrophobicContact CB-CB 3.91Å; C217-W220 VanDerWaalsContact O-CB 3.3Å; C217-W220 WeakPolarHBondContact O-CB 3.45Å; C217-W220 PolarHBondContact O-N 2.81Å; C217-W220 VanDerWaalsContact O-N 3.08Å; P218-W220 VanDerWaalsContact C-N 3.26Å; P218-W220 PolarHBondContact O-N 2.83Å; W220-C222 VanDerWaalsContact C-N 3.35Å; W220-C222 PolarHBondContact O-N 2.86Å; W220-Y223 AromaticContact CE3-CD1 3.77Å; W220-Y223 HydrophobicContact CE3-CD1 3.77Å; W220-Y223 HydrophobicContact CE3-CE1 4.46Å; W220-Y223 AromaticContact CZ3-CD1 3.52Å; W220-Y223 HydrophobicContact CZ3-CD1 3.52Å; W220-Y223 AromaticContact CZ3-CE1 3.81Å; W220-Y223 HydrophobicContact CZ3-CE1 3.81Å; W220-Y223 PolarHBondContact O-N 2.82Å; W220-A224 HydrophobicContact CD2-CB 4.44Å; W220-A224 HydrophobicContact CE3-CB 4.4Å; W220-A224 HydrophobicContact CH2-CB 4.22Å; W220-A224 HydrophobicContact CZ2-CB 4.2Å; W220-A224 HydrophobicContact CZ3-CB 4.31Å; W220-A224 WeakPolarHBondContact O-CB 3.43Å; W220-A224 PolarHBondContact O-N 3.12Å; W220-I244 HydrophobicContact CH2-CD1 3.56Å; W220-I244 HydrophobicContact CH2-CG1 4.25Å; W220-I244 HydrophobicContact CZ2-CD1 4.16Å; W220-I244 HydrophobicContact CZ2-CG1 4.44Å; W220-I248 HydrophobicContact CZ2-CG1 4.49Å; W220-I479 HydrophobicContact CE3-CG2 3.39Å; W220-I479 HydrophobicContact CH2-CG2 4.37Å; W220-I479 HydrophobicContact CZ3-CG2 3.29Å; W220-V483 HydrophobicContact CH2-CG2 3.64Å; W220-V483 HydrophobicContact CZ3-CG2 3.73Å; W220-V517 HydrophobicContact CB-CG1 3.9Å; W220-V517 HydrophobicContact CD2-CB 4.42Å; W220-V517 HydrophobicContact CD2-CG1 3.77Å; W220-V517 HydrophobicContact CE3-CG1 4.07Å; W220-V517 HydrophobicContact CG-CB 4.27Å; W220-V517 HydrophobicContact CG-CG1 3.69Å
221	I	91.6	Very high	81.6	Confident	5 Å²	5	20.8 Å²	20.8	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-45.9	176.9	-63.6	-55.5	0	0	0	111.1	S215 C217 P218 Y223 A224 E225 I248 Y577	S215-I221 WeakPolarHBondContact O-CG1 3.39Å; C217-I221 PolarHBondContact O-N 3.41Å; P218-I221 PolarHBondContact O-N 3.18Å; P218-I221 VanDerWaalsContact O-N 3.16Å; I221-Y223 VanDerWaalsContact C-N 3.3Å; I221-Y223 PolarHBondContact O-N 3.49Å; I221-A224 PolarHBondContact O-N 2.98Å; I221-A224 VanDerWaalsContact O-N 3.11Å; I221-E225 HydrophobicContact CG2-CG 4.12Å; I221-E225 WeakPolarHBondContact O-CB 3.37Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.28Å; I221-I248 HydrophobicContact CD1-CD1 4.38Å; I221-I248 HydrophobicContact CD1-CG2 3.75Å; I221-Y577 HydrophobicContact CB-CE1 4.42Å; I221-Y577 HydrophobicContact CD1-CD1 4.05Å; I221-Y577 HydrophobicContact CD1-CE1 3.7Å; I221-Y577 HydrophobicContact CD1-CE2 4.36Å; I221-Y577 HydrophobicContact CG1-CD1 4.46Å; I221-Y577 HydrophobicContact CG1-CE1 3.92Å; I221-Y577 HydrophobicContact CG2-CD1 3.5Å; I221-Y577 VanDerWaalsContact CG2-CD1 3.5Å; I221-Y577 HydrophobicContact CG2-CE1 3.6Å
222	C	86.3	Confident	79	Confident	21 Å²	21	25.6 Å²	25.6	14%	0.142	15%	0.152	C	C	.	.	H	α-helix	trans	-57.2	-44.8	176.6	-65.7	0	0	0	0	111.4	P218 W220 K226	P218-C222 PolarHBondContact O-N 3.33Å; P218-C222 PolarHBondContact O-SG 2.88Å; W220-C222 VanDerWaalsContact C-N 3.35Å; W220-C222 PolarHBondContact O-N 2.86Å; C222-K226 VanDerWaalsContact O-CB 3.26Å; C222-K226 WeakPolarHBondContact O-CB 3.23Å; C222-K226 VanDerWaalsContact O-CG 3.28Å; C222-K226 WeakPolarHBondContact O-CG 3.44Å; C222-K226 PolarHBondContact O-N 3.08Å
223	Y	84.6	Confident	76.5	Confident	46 Å²	46	30.8 Å²	30.8	18%	0.18	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-44	175.2	168.9	-92.4	0	0	0	112.3	G219 W220 I221 S227 F476 I479 Q480 V483	G219-Y223 PolarHBondContact O-N 2.8Å; W220-Y223 AromaticContact CE3-CD1 3.77Å; W220-Y223 HydrophobicContact CE3-CD1 3.77Å; W220-Y223 HydrophobicContact CE3-CE1 4.46Å; W220-Y223 AromaticContact CZ3-CD1 3.52Å; W220-Y223 HydrophobicContact CZ3-CD1 3.52Å; W220-Y223 AromaticContact CZ3-CE1 3.81Å; W220-Y223 HydrophobicContact CZ3-CE1 3.81Å; W220-Y223 PolarHBondContact O-N 2.82Å; I221-Y223 VanDerWaalsContact C-N 3.3Å; I221-Y223 PolarHBondContact O-N 3.49Å; Y223-S227 WeakPolarHBondContact O-CB 3.49Å; Y223-S227 PolarHBondContact O-N 3.14Å; Y223-S227 PolarHBondContact O-OG 3.4Å; Y223-F476 HydrophobicContact CG-CE1 4.35Å; Y223-I479 HydrophobicContact CD1-CG2 4.27Å; Y223-I479 HydrophobicContact CE1-CG2 4.23Å; Y223-Q480 HydrophobicContact CE2-CG 4.14Å; Y223-V483 HydrophobicContact CE1-CG2 4.2Å
224	A	87.8	Confident	73.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-40	-177.3	0	0	0	0	0	112.5	W220 I221 S227 I244 I248	W220-A224 HydrophobicContact CD2-CB 4.44Å; W220-A224 HydrophobicContact CE3-CB 4.4Å; W220-A224 HydrophobicContact CH2-CB 4.22Å; W220-A224 HydrophobicContact CZ2-CB 4.2Å; W220-A224 HydrophobicContact CZ3-CB 4.31Å; W220-A224 WeakPolarHBondContact O-CB 3.43Å; W220-A224 PolarHBondContact O-N 3.12Å; I221-A224 PolarHBondContact O-N 2.98Å; I221-A224 VanDerWaalsContact O-N 3.11Å; A224-S227 PolarHBondContact O-N 3.01Å; A224-I244 HydrophobicContact CB-CG2 3.87Å; A224-I248 HydrophobicContact CB-CD1 3.62Å
225	E	84.9	Confident	71	Confident	14 Å²	14	41.2 Å²	41.2	7%	0.065	24%	0.238	C	C	.	.	H	α-helix	trans	-71.6	-41.3	177.1	-68.7	-172.9	139.2	0	0	112.4	I221 S227 I245 R287 K578 T579 V580	I221-E225 HydrophobicContact CG2-CG 4.12Å; I221-E225 WeakPolarHBondContact O-CB 3.37Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.28Å; E225-S227 PolarHBondContact O-N 3.47Å; E225-I245 HydrophobicContact CG-CD1 4.11Å; E225-R287 IonicContact OE1-CZ 2.7Å; E225-R287 IonicContact OE1-NH1 2.82Å; E225-R287 PolarHBondContact OE1-NH1 3.36Å; E225-R287 IonicContact OE1-NH2 2.91Å; E225-R287 PolarHBondContact OE1-NH2 3.16Å; E225-R287 IonicContact OE2-CZ 2.79Å; E225-R287 IonicContact OE2-NH1 2.81Å; E225-R287 PolarHBondContact OE2-NH1 3.49Å; E225-R287 IonicContact OE2-NH2 3.67Å; E225-R287 PolarHBondContact OE2-NH2 3.37Å; E225-K578 WeakPolarHBondContact CB-O 3.03Å; E225-K578 WeakPolarHBondContact CG-O 3.04Å; E225-K578 PolarHBondContact OE1-N 3.28Å; E225-T579 WeakPolarHBondContact O-CA 3.39Å; E225-V580 HydrophobicContact CB-CG2 4.16Å; E225-V580 PolarHBondContact O-N 3.36Å
226	K	75.7	Confident	68.7	Low	70 Å²	70	47.8 Å²	47.8	30%	0.304	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	2.5	176.1	-65.4	178.4	-175.6	179.1	0	113.7	C81 E86 C222 P228	C81-K226 PolarHBondContact O-NZ 3.48Å; E86-K226 VanDerWaalsContact OE1-CE 3.23Å; E86-K226 WeakPolarHBondContact OE1-CE 3.32Å; E86-K226 IonicContact OE1-NZ 2.7Å; E86-K226 PolarHBondContact OE1-NZ 2.98Å; E86-K226 IonicContact OE2-NZ 2.91Å; E86-K226 PolarHBondContact OE2-NZ 2.8Å; C222-K226 VanDerWaalsContact O-CB 3.26Å; C222-K226 WeakPolarHBondContact O-CB 3.23Å; C222-K226 VanDerWaalsContact O-CG 3.28Å; C222-K226 WeakPolarHBondContact O-CG 3.44Å; C222-K226 PolarHBondContact O-N 3.08Å; K226-P228 WeakPolarHBondContact O-CD 3.28Å
227	S	62.6	Low	66.2	Low	18 Å²	18	51.4 Å²	51.4	13%	0.126	31%	0.31	C	S	.	.			trans	-101.3	69.8	174.1	-67	0	0	0	0	111.7	Y223 A224 E225 L229	Y223-S227 WeakPolarHBondContact O-CB 3.49Å; Y223-S227 PolarHBondContact O-N 3.14Å; Y223-S227 PolarHBondContact O-OG 3.4Å; A224-S227 PolarHBondContact O-N 3.01Å; E225-S227 PolarHBondContact O-N 3.47Å; S227-L229 PolarHBondContact O-N 3.07Å
228	P	56	Low	63.8	Low	19 Å²	19	53.6 Å²	53.6	12%	0.123	34%	0.335	C	S	.	.			trans	-67.3	94.3	142.7	25.5	-15.9	0	0	0	104.4	K226 T230 E241 T579 K582	K226-P228 WeakPolarHBondContact O-CD 3.28Å; P228-T230 HydrophobicContact CB-CG2 4.24Å; P228-T230 PolarHBondContact O-N 2.87Å; P228-E241 WeakPolarHBondContact CB-OE1 3.15Å; P228-T579 HydrophobicContact CB-CG2 3.82Å; P228-T579 HydrophobicContact CG-CG2 4.06Å; P228-K582 HydrophobicContact CG-CB 4.43Å
229	L	49.8	Very low	61.6	Low	54 Å²	54	64.1 Å²	64.1	28%	0.283	38%	0.375	S	S	.	.			trans	-70.4	73.1	171.9	-88.8	156.2	0	0	0	106.9	S227 S231 F242 V483	S227-L229 PolarHBondContact O-N 3.07Å; L229-S231 PolarHBondContact O-N 3.38Å; L229-F242 HydrophobicContact CB-CD1 4.26Å; L229-F242 HydrophobicContact CD1-CD1 4.22Å; L229-F242 HydrophobicContact CD1-CE1 3.98Å; L229-V483 HydrophobicContact CD1-CG1 4.07Å
230	T	41.8	Very low	59.9	Low	89 Å²	89	74.1 Å²	74.1	55%	0.546	41%	0.412	S	S	.	.			trans	-63.3	74.2	170.7	50.9	0	0	0	0	108.4	P228 S232	P228-T230 HydrophobicContact CB-CG2 4.24Å; P228-T230 PolarHBondContact O-N 2.87Å; T230-S232 VanDerWaalsContact C-N 3.34Å
231	S	43.2	Very low	58.7	Low	55 Å²	55	79.7 Å²	79.7	39%	0.385	44%	0.438	S	S	.	.			trans	-92.3	92.5	140.5	-63	0	0	0	0	104.9	L229 I233 R487	L229-S231 PolarHBondContact O-N 3.38Å; S231-I233 PolarHBondContact O-N 3.36Å; S231-R487 VanDerWaalsContact CB-NH2 3.33Å; S231-R487 VanDerWaalsContact OG-CZ 3.28Å; S231-R487 PolarHBondContact OG-NH1 2.9Å; S231-R487 PolarHBondContact OG-NH2 2.5Å
232	S	40.2	Very low	58.1	Low	106 Å²	106	80.7 Å²	80.7	74%	0.741	44%	0.442	S	S	*	.			trans	-48.3	93.9	154	53.6	0	0	0	0	107.6	T230	T230-S232 VanDerWaalsContact C-N 3.34Å
233	I	45.8	Very low	58	Low	109 Å²	109	81.3 Å²	81.3	56%	0.559	45%	0.447	S	S	*	.			trans	-98.3	104.5	164.1	-61.7	175.6	0	0	0	103.5	S231 S235 Q491	S231-I233 PolarHBondContact O-N 3.36Å; I233-S235 PolarHBondContact O-N 3.47Å; I233-Q491 HydrophobicContact CD1-CG 4.13Å
234	L	38.1	Very low	58.3	Low	164 Å²	164	79.3 Å²	79.3	86%	0.859	44%	0.439	S	S	*	.			trans	-57.8	103.9	166.7	-82.1	95	0	0	0	107.2
235	S	42	Very low	58.5	Low	57 Å²	57	80.6 Å²	80.6	40%	0.399	45%	0.446	S	S	.	.			trans	-111.1	136.5	154	70.1	0	0	0	0	107.7	I233 S237	I233-S235 PolarHBondContact O-N 3.47Å; S235-S237 PolarHBondContact O-N 2.74Å
236	S	46.4	Very low	58.8	Low	139 Å²	139	83 Å²	83	97%	0.972	46%	0.463	S	S	*	.	S	Bend	trans	-66.1	11	-173.2	-44	0	0	0	0	114.8
237	S	43.5	Very low	59.7	Low	88 Å²	88	79.7 Å²	79.7	62%	0.615	45%	0.448	S	S	*	.	S	Bend	trans	-136.8	68.3	-169.2	66.7	0	0	0	0	111.7	S235	S235-S237 PolarHBondContact O-N 2.74Å
238	G	46.7	Very low	61.3	Low	60 Å²	60	79 Å²	79	62%	0.619	44%	0.443	S	S	*	.			trans	70.5	122.6	166	0	0	0	0	0	116.3	R240	G238-R240 PolarHBondContact O-N 3.31Å
239	Y	44.5	Very low	63.3	Low	230 Å²	230	78.2 Å²	78.2	90%	0.902	44%	0.438	S	S	*	.			trans	-58.8	123.7	176.3	-75.8	-103.8	0	0	0	112.2
240	R	54	Low	65.6	Low	212 Å²	212	78.3 Å²	78.3	80%	0.8	44%	0.439	S	S	*	.			trans	-130	104.5	147	-74.4	-162.3	-174.7	-143.4	3.5	108.2	G238 K494	G238-R240 PolarHBondContact O-N 3.31Å; R240-K494 PolarHBondContact O-NZ 3.5Å
241	E	67.4	Low	68.3	Low	118 Å²	118	74.1 Å²	74.1	55%	0.551	41%	0.413	S	S	*	.			trans	-61.6	143	175	-170	170.8	-175.2	0	0	110.1	P228 S243	P228-E241 WeakPolarHBondContact CB-OE1 3.15Å; E241-S243 PolarHBondContact O-N 2.92Å
242	F	79.2	Confident	70.9	Confident	25 Å²	25	72.3 Å²	72.3	11%	0.11	40%	0.398	C	S	.	.			trans	-68.1	121.5	171.8	167.4	-103	0	0	0	108.3	L229 I244 V483 L486 R487 Y490	L229-F242 HydrophobicContact CB-CD1 4.26Å; L229-F242 HydrophobicContact CD1-CD1 4.22Å; L229-F242 HydrophobicContact CD1-CE1 3.98Å; F242-I244 HydrophobicContact CE1-CB 4.39Å; F242-I244 HydrophobicContact CZ-CB 4.18Å; F242-V483 HydrophobicContact CE1-CG1 4.42Å; F242-L486 HydrophobicContact CE2-CB 4.5Å; F242-L486 HydrophobicContact CE2-CD2 4.06Å; F242-L486 HydrophobicContact CE2-CG 3.86Å; F242-L486 HydrophobicContact CZ-CB 4.42Å; F242-L486 HydrophobicContact CZ-CD2 4.07Å; F242-L486 HydrophobicContact CZ-CG 4.12Å; F242-R487 HydrophobicContact CD1-CB 4.33Å; F242-R487 HydrophobicContact CD1-CG 4.33Å; F242-R487 HydrophobicContact CE1-CB 4.15Å; F242-R487 HydrophobicContact CG-CG 4.47Å; F242-R487 HydrophobicContact CZ-CB 4.23Å; F242-Y490 HydrophobicContact CD2-CD1 4.18Å; F242-Y490 AromaticContact CD2-CD2 3.74Å; F242-Y490 HydrophobicContact CD2-CD2 3.74Å; F242-Y490 HydrophobicContact CD2-CE2 4.27Å; F242-Y490 AromaticContact CD2-CG 3.67Å; F242-Y490 HydrophobicContact CD2-CG 3.67Å; F242-Y490 AromaticContact CE2-CD2 3.68Å; F242-Y490 HydrophobicContact CE2-CD2 3.68Å; F242-Y490 HydrophobicContact CE2-CE2 4.03Å; F242-Y490 HydrophobicContact CE2-CG 4.12Å
243	S	84.4	Confident	73.6	Confident	35 Å²	35	67.2 Å²	67.2	25%	0.245	36%	0.363	C	S	.	.			trans	-124.3	131.1	172.7	-175.6	0	0	0	0	109.4	E241 I245	E241-S243 PolarHBondContact O-N 2.92Å; S243-I245 WeakPolarHBondContact OG-CB 3.26Å; S243-I245 PolarHBondContact OG-N 3.09Å
244	I	89.5	Confident	76.1	Confident	4 Å²	4	62.8 Å²	62.8	2%	0.021	34%	0.341	C	S	.	.	S	Bend	trans	-85.1	-14.6	172.6	-166.5	148.1	0	0	0	112.2	F213 W220 A224 F242 P246 H247 V483 L486	F213-I244 HydrophobicContact CE2-CD1 4.14Å; F213-I244 HydrophobicContact CE2-CG1 4.45Å; F213-I244 HydrophobicContact CZ-CD1 4.22Å; W220-I244 HydrophobicContact CH2-CD1 3.56Å; W220-I244 HydrophobicContact CH2-CG1 4.25Å; W220-I244 HydrophobicContact CZ2-CD1 4.16Å; W220-I244 HydrophobicContact CZ2-CG1 4.44Å; A224-I244 HydrophobicContact CB-CG2 3.87Å; F242-I244 HydrophobicContact CE1-CB 4.39Å; F242-I244 HydrophobicContact CZ-CB 4.18Å; I244-P246 VanDerWaalsContact C-CD 3.46Å; I244-H247 HydrophobicContact CG1-CB 4.41Å; I244-H247 WeakPolarHBondContact O-CA 3.49Å; I244-H247 VanDerWaalsContact O-CB 3.31Å; I244-H247 WeakPolarHBondContact O-CB 3.4Å; I244-H247 PolarHBondContact O-N 3.22Å; I244-V483 HydrophobicContact CD1-CB 4.26Å; I244-V483 HydrophobicContact CD1-CG1 3.9Å; I244-V483 HydrophobicContact CD1-CG2 3.57Å; I244-L486 HydrophobicContact CD1-CD2 4.24Å; I244-L486 HydrophobicContact CG1-CD2 4.36Å
245	I	92.1	Very high	79	Confident	26 Å²	26	55 Å²	55	13%	0.133	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-53.8	-44	-176.6	-60.1	-58.3	0	0	0	113.1	E225 S243 H247 I248 Y577	E225-I245 HydrophobicContact CG-CD1 4.11Å; S243-I245 WeakPolarHBondContact OG-CB 3.26Å; S243-I245 PolarHBondContact OG-N 3.09Å; I245-H247 PolarHBondContact O-N 3.15Å; I245-H247 VanDerWaalsContact O-N 3.08Å; I245-I248 HydrophobicContact CD1-CD1 3.96Å; I245-I248 PolarHBondContact O-N 3.37Å; I245-I248 VanDerWaalsContact O-N 3.1Å; I245-Y577 VanDerWaalsContact CG2-O 3.24Å; I245-Y577 WeakPolarHBondContact CG2-O 3.19Å
246	P	92.2	Very high	81.7	Confident	66 Å²	66	52.3 Å²	52.3	43%	0.429	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-64.4	-14.3	178.2	-22	35.2	0	0	0	114.7	I244	I244-P246 VanDerWaalsContact C-CD 3.46Å
247	H	94.9	Very high	84.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-96.3	1.5	179.5	-66.1	-68.4	0	0	0	112.8	D208 T209 L210 P211 L212 F213 I244 I245 Y490	D208-H247 PolarHBondContact O-CE1 2.77Å; T209-H247 PolarHBondContact O-ND1 2.79Å; T209-H247 VanDerWaalsContact O-ND1 3.14Å; L210-H247 PolarHBondContact O-CE1 3.14Å; L210-H247 PolarHBondContact O-ND1 3.48Å; P211-H247 WeakPolarHBondContact O-CB 3.47Å; P211-H247 PolarHBondContact O-ND1 2.92Å; L212-H247 CarbonylContact C-O 3.49Å; L212-H247 WeakPolarHBondContact CA-O 3.22Å; F213-H247 HydrophobicContact CD2-CB 3.89Å; F213-H247 HydrophobicContact CE2-CB 4.24Å; F213-H247 PolarHBondContact N-O 3.02Å; I244-H247 HydrophobicContact CG1-CB 4.41Å; I244-H247 WeakPolarHBondContact O-CA 3.49Å; I244-H247 VanDerWaalsContact O-CB 3.31Å; I244-H247 WeakPolarHBondContact O-CB 3.4Å; I244-H247 PolarHBondContact O-N 3.22Å; I245-H247 PolarHBondContact O-N 3.15Å; I245-H247 VanDerWaalsContact O-N 3.08Å; H247-Y490 AromaticContact NE2-CE2 3.35Å; H247-Y490 WeakPolarHBondContact NE2-CE2 3.04Å; H247-Y490 AromaticContact NE2-CZ 3.43Å; H247-Y490 PolarHBondContact NE2-OH 3.13Å
248	I	96.5	Very high	86.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-94.5	133.7	-179.7	-59.3	174.3	0	0	0	109.3	W220 I221 A224 I245 N250 Y577	W220-I248 HydrophobicContact CZ2-CG1 4.49Å; I221-I248 HydrophobicContact CD1-CD1 4.38Å; I221-I248 HydrophobicContact CD1-CG2 3.75Å; A224-I248 HydrophobicContact CB-CD1 3.62Å; I245-I248 HydrophobicContact CD1-CD1 3.96Å; I245-I248 PolarHBondContact O-N 3.37Å; I245-I248 VanDerWaalsContact O-N 3.1Å; I248-N250 PolarHBondContact O-N 3Å; I248-Y577 HydrophobicContact CB-CD2 4.15Å; I248-Y577 HydrophobicContact CG2-CD2 3.58Å; I248-Y577 HydrophobicContact CG2-CE2 3.58Å; I248-Y577 HydrophobicContact CG2-CG 4.37Å
249	S	97.8	Very high	89.2	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.021	18%	0.176	C	C	.	.			trans	-56.8	127.6	172.3	172.7	0	0	0	0	111.3	E194 F213 S215 V251 Y577	E194-S249 WeakPolarHBondContact OE2-CA 3.38Å; E194-S249 WeakPolarHBondContact OE2-CB 3.43Å; E194-S249 PolarHBondContact OE2-OG 2.75Å; F213-S249 WeakPolarHBondContact O-CB 3.42Å; F213-S249 PolarHBondContact O-N 3.44Å; S215-S249 WeakPolarHBondContact CB-O 3.23Å; S215-S249 PolarHBondContact OG-O 2.87Å; S215-S249 VanDerWaalsContact OG-O 3.05Å; S249-V251 PolarHBondContact O-N 2.99Å; S249-V251 PolarHBondContact OG-N 2.91Å; S249-Y577 VanDerWaalsContact O-CE2 3.3Å; S249-Y577 WeakPolarHBondContact O-CE2 3.46Å
250	N	97.3	Very high	91.7	Very high	56 Å²	56	28.2 Å²	28.2	30%	0.299	14%	0.135	S	C	.	.			trans	-78.9	-7.7	178.3	-67.2	-51	0	0	0	112.4	E194 I248 R252 H574 T575	E194-N250 WeakPolarHBondContact OE1-CB 3.49Å; E194-N250 PolarHBondContact OE1-N 2.99Å; E194-N250 PolarHBondContact OE2-N 3.36Å; I248-N250 PolarHBondContact O-N 3Å; N250-R252 PolarHBondContact O-N 3.46Å; N250-H574 CarbonylContact O-C 3.51Å; N250-H574 VanDerWaalsContact O-CA 3.23Å; N250-H574 WeakPolarHBondContact O-CA 3.37Å; N250-T575 VanDerWaalsContact CB-O 3.29Å; N250-T575 WeakPolarHBondContact CB-O 3.38Å; N250-T575 PolarHBondContact O-N 3.36Å; N250-T575 PolarHBondContact OD1-O 2.78Å
251	V	98.2	Very high	93.8	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.006	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-66.2	133.7	-179.4	-177.5	0	0	0	0	110.5	E190 A191 E194 S215 S249 L573	E190-V251 HydrophobicContact CB-CG1 3.81Å; E190-V251 HydrophobicContact CB-CG2 3.9Å; A191-V251 HydrophobicContact CB-CB 4.47Å; A191-V251 HydrophobicContact CB-CG2 4.29Å; E194-V251 HydrophobicContact CB-CG2 4.43Å; S215-V251 PolarHBondContact OG-O 2.8Å; S249-V251 PolarHBondContact O-N 2.99Å; S249-V251 PolarHBondContact OG-N 2.91Å; V251-L573 WeakPolarHBondContact CA-O 3.44Å
252	R	98	Very high	95.3	Very high	17 Å²	17	12.5 Å²	12.5	6%	0.064	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-66.9	150.8	177.4	-64.5	-163.3	-175.3	-164	-4.2	111.2	C187 N250 Q256 I257 E289 F290 D304 K571 Y572 L573 H574 T575	C187-R252 PolarHBondContact SG-O 3.31Å; N250-R252 PolarHBondContact O-N 3.46Å; R252-Q256 HydrophobicContact CB-CB 4.08Å; R252-I257 HydrophobicContact CB-CD1 4.4Å; R252-I257 HydrophobicContact CB-CG1 3.77Å; R252-I257 WeakPolarHBondContact O-CD1 3.26Å; R252-E289 PolarHBondContact NH2-O 3.17Å; R252-F290 HydrophobicContact CB-CE1 4.38Å; R252-F290 HydrophobicContact CG-CD1 4.41Å; R252-F290 HydrophobicContact CG-CE1 3.83Å; R252-D304 IonicContact CZ-OD2 3.78Å; R252-D304 VanDerWaalsContact NH1-CG 3.32Å; R252-D304 IonicContact NH1-OD1 2.78Å; R252-D304 PolarHBondContact NH1-OD1 2.78Å; R252-D304 IonicContact NH1-OD2 3.51Å; R252-D304 PolarHBondContact NH1-OD2 3.1Å; R252-K571 PolarHBondContact NH2-O 3.02Å; R252-Y572 WeakPolarHBondContact CD-O 3.3Å; R252-Y572 PolarHBondContact NE-O 3.42Å; R252-L573 WeakPolarHBondContact CG-O 3.24Å; R252-L573 PolarHBondContact N-O 3.27Å; R252-H574 PolarHBondContact NE-O 2.95Å; R252-H574 PolarHBondContact NH2-O 3.11Å; R252-T575 HydrophobicContact CG-CG2 4.45Å
253	S	97.9	Very high	96.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-70	161.8	175.7	84.7	0	0	0	0	111.9	Q255 Q256 I257 K281 E284	S253-Q255 PolarHBondContact O-N 3.44Å; S253-Q255 VanDerWaalsContact O-N 3.1Å; S253-Q256 PolarHBondContact O-N 3.48Å; S253-I257 PolarHBondContact O-N 3.47Å; S253-K281 PolarHBondContact OG-NZ 3.39Å; S253-K281 VanDerWaalsContact OG-NZ 3.09Å; S253-E284 WeakPolarHBondContact CB-OE1 3.12Å; S253-E284 VanDerWaalsContact OG-CD 3.26Å; S253-E284 PolarHBondContact OG-OE1 3.09Å; S253-E284 PolarHBondContact OG-OE2 3.27Å
254	P	98.2	Very high	96.6	Very high	15 Å²	15	11.4 Å²	11.4	10%	0.097	6%	0.063	C	C	.	.	H	α-helix	trans	-56.7	-29.6	178.9	-26.7	35.6	0	0	0	113.9	V180 A183 R184 C187 A258 Y392	V180-P254 HydrophobicContact CB-CB 4.34Å; A183-P254 HydrophobicContact CB-CB 4.41Å; A183-P254 VanDerWaalsContact CB-O 3.31Å; A183-P254 WeakPolarHBondContact CB-O 3.43Å; R184-P254 HydrophobicContact CB-CB 3.98Å; R184-P254 HydrophobicContact CB-CG 3.79Å; R184-P254 HydrophobicContact CG-CG 4.08Å; C187-P254 HydrophobicContact CB-CG 4.13Å; P254-A258 WeakPolarHBondContact O-CB 3.2Å; P254-A258 PolarHBondContact O-N 2.79Å; P254-Y392 WeakPolarHBondContact CD-OH 3.35Å; P254-Y392 WeakPolarHBondContact CG-OH 3.38Å
255	Q	98.4	Very high	96.9	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-60.7	-52	173.6	174.2	170.1	-73.3	0	0	111.1	S253 A258 G259 M276 K281 V305	S253-Q255 PolarHBondContact O-N 3.44Å; S253-Q255 VanDerWaalsContact O-N 3.1Å; Q255-A258 WeakPolarHBondContact O-CB 3.45Å; Q255-A258 PolarHBondContact O-N 2.98Å; Q255-G259 PolarHBondContact O-N 3.35Å; Q255-M276 HydrophobicContact CB-CE 3.61Å; Q255-M276 HydrophobicContact CG-CE 4.06Å; Q255-K281 HydrophobicContact CB-CD 4.49Å; Q255-K281 PolarHBondContact NE2-O 3.21Å; Q255-V305 HydrophobicContact CG-CG2 3.78Å
256	Q	98.3	Very high	97	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-73.3	-38.5	-173.4	-59.4	-58.5	-10	0	0	111.2	R252 S253 A258 G259 R260 E284 F290 D304	R252-Q256 HydrophobicContact CB-CB 4.08Å; S253-Q256 PolarHBondContact O-N 3.48Å; Q256-A258 VanDerWaalsContact C-N 3.32Å; Q256-A258 PolarHBondContact O-N 2.96Å; Q256-G259 PolarHBondContact O-N 3.47Å; Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 3.2Å; Q256-E284 HydrophobicContact CG-CG 4.18Å; Q256-E284 WeakPolarHBondContact CG-OE1 3.28Å; Q256-E284 VanDerWaalsContact NE2-C 3.31Å; Q256-E284 PolarHBondContact NE2-O 3.49Å; Q256-F290 HydrophobicContact CB-CD1 3.89Å; Q256-F290 HydrophobicContact CB-CE1 4.01Å; Q256-F290 HydrophobicContact CB-CG 4.42Å; Q256-F290 HydrophobicContact CG-CD1 3.72Å; Q256-F290 HydrophobicContact CG-CD2 4.01Å; Q256-F290 HydrophobicContact CG-CE1 3.77Å; Q256-F290 HydrophobicContact CG-CE2 4.05Å; Q256-F290 HydrophobicContact CG-CG 3.85Å; Q256-F290 HydrophobicContact CG-CZ 3.93Å; Q256-D304 VanDerWaalsContact OE1-CB 3.26Å
257	I	98.5	Very high	96.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-45.2	170.3	-65.8	176.8	0	0	0	110.2	A183 I186 C187 R252 S253 G259 V261 L573	A183-I257 HydrophobicContact CB-CB 4.25Å; A183-I257 HydrophobicContact CB-CG2 4Å; I186-I257 HydrophobicContact CB-CG2 4.28Å; I186-I257 HydrophobicContact CD1-CG2 4.36Å; I186-I257 HydrophobicContact CG2-CD1 4.23Å; I186-I257 HydrophobicContact CG2-CG2 4.22Å; C187-I257 HydrophobicContact CB-CD1 3.74Å; R252-I257 HydrophobicContact CB-CD1 4.4Å; R252-I257 HydrophobicContact CB-CG1 3.77Å; R252-I257 WeakPolarHBondContact O-CD1 3.26Å; S253-I257 PolarHBondContact O-N 3.47Å; I257-G259 PolarHBondContact O-N 2.94Å; I257-V261 HydrophobicContact CG2-CG2 4.13Å; I257-V261 WeakPolarHBondContact O-CB 3.24Å; I257-V261 WeakPolarHBondContact O-CG2 3Å; I257-V261 PolarHBondContact O-N 3.02Å; I257-L573 HydrophobicContact CD1-CD2 4.34Å; I257-L573 HydrophobicContact CG1-CD2 4.19Å; I257-L573 HydrophobicContact CG2-CD2 4.14Å
258	A	98.3	Very high	96.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.7	-51.5	178.6	0	0	0	0	0	111.7	V180 W182 A183 P254 Q255 Q256 V261 I262	V180-A258 HydrophobicContact CG1-CB 4.22Å; W182-A258 HydrophobicContact CH2-CB 4.15Å; W182-A258 HydrophobicContact CZ2-CB 3.99Å; A183-A258 HydrophobicContact CB-CB 3.82Å; P254-A258 WeakPolarHBondContact O-CB 3.2Å; P254-A258 PolarHBondContact O-N 2.79Å; Q255-A258 WeakPolarHBondContact O-CB 3.45Å; Q255-A258 PolarHBondContact O-N 2.98Å; Q256-A258 VanDerWaalsContact C-N 3.32Å; Q256-A258 PolarHBondContact O-N 2.96Å; A258-V261 PolarHBondContact O-N 3.34Å; A258-I262 VanDerWaalsContact O-CB 3.3Å; A258-I262 WeakPolarHBondContact O-CB 3.46Å; A258-I262 WeakPolarHBondContact O-CD1 3.15Å; A258-I262 WeakPolarHBondContact O-CG1 3.19Å; A258-I262 PolarHBondContact O-N 2.94Å
259	G	98.2	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-49.6	179.2	0	0	0	0	0	113	Q255 Q256 I257 V261 I262 K263 H272 D304	Q255-G259 PolarHBondContact O-N 3.35Å; Q256-G259 PolarHBondContact O-N 3.47Å; I257-G259 PolarHBondContact O-N 2.94Å; G259-V261 PolarHBondContact O-N 2.78Å; G259-I262 PolarHBondContact O-N 3.17Å; G259-K263 WeakPolarHBondContact O-CB 3.41Å; G259-K263 WeakPolarHBondContact O-CG 3.28Å; G259-K263 PolarHBondContact O-N 3.07Å; G259-H272 VanDerWaalsContact CA-ND1 3.3Å; G259-H272 WeakPolarHBondContact CA-ND1 3.49Å; G259-D304 CarbonylContact C-O 3.52Å; G259-D304 WeakPolarHBondContact CA-O 3.21Å
260	R	97.4	Very high	96.2	Very high	11 Å²	11	20.2 Å²	20.2	4%	0.042	10%	0.097	C	C	.	.	H	α-helix	trans	-58.3	-45.5	178.7	179.7	46.3	50.5	-163.5	-1.1	112.5	Q256 K263 L264 V292 V302 D304 Y572	Q256-R260 WeakPolarHBondContact O-CB 3.25Å; Q256-R260 PolarHBondContact O-N 3.2Å; R260-K263 PolarHBondContact O-N 3.44Å; R260-L264 WeakPolarHBondContact O-CB 3.49Å; R260-L264 PolarHBondContact O-N 3.43Å; R260-V292 VanDerWaalsContact NH2-CG1 3.31Å; R260-V302 PolarHBondContact NH2-O 3.26Å; R260-D304 HydrophobicContact CB-CB 4.49Å; R260-D304 IonicContact CZ-OD1 3.36Å; R260-D304 IonicContact NE-OD1 2.95Å; R260-D304 PolarHBondContact NE-OD1 3.17Å; R260-D304 IonicContact NH2-OD1 2.71Å; R260-D304 PolarHBondContact NH2-OD1 3.27Å; R260-Y572 HydrophobicContact CG-CD1 4.3Å; R260-Y572 HydrophobicContact CG-CG 4.04Å
261	V	97.4	Very high	96.2	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	9%	0.091	C	C	.	.	H	α-helix	trans	-71.7	-40.9	-179.5	175	0	0	0	0	111.4	W182 I257 A258 G259 K263 L264 L265 L559 I563	W182-V261 HydrophobicContact CH2-CB 3.9Å; W182-V261 HydrophobicContact CH2-CG1 4Å; W182-V261 HydrophobicContact CZ3-CB 3.98Å; W182-V261 HydrophobicContact CZ3-CG1 3.89Å; W182-V261 HydrophobicContact CZ3-CG2 4.34Å; I257-V261 HydrophobicContact CG2-CG2 4.13Å; I257-V261 WeakPolarHBondContact O-CB 3.24Å; I257-V261 WeakPolarHBondContact O-CG2 3Å; I257-V261 PolarHBondContact O-N 3.02Å; A258-V261 PolarHBondContact O-N 3.34Å; G259-V261 PolarHBondContact O-N 2.78Å; V261-K263 VanDerWaalsContact C-N 3.29Å; V261-K263 PolarHBondContact O-N 3.12Å; V261-L264 WeakPolarHBondContact O-CB 3.39Å; V261-L264 PolarHBondContact O-N 2.53Å; V261-L264 VanDerWaalsContact O-N 3.14Å; V261-L265 HydrophobicContact CG1-CD1 4.02Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.19Å; V261-L559 HydrophobicContact CG1-CD2 4.16Å; V261-I563 HydrophobicContact CG1-CD1 4.4Å; V261-I563 HydrophobicContact CG2-CD1 3.38Å; V261-I563 HydrophobicContact CG2-CG1 3.98Å
262	I	97.5	Very high	96.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60	-41.9	175.4	-74.3	164.1	0	0	0	110.7	V117 T178 W182 A258 G259 L265 G266 C270 H272 F355	V117-I262 HydrophobicContact CB-CG2 4.1Å; V117-I262 HydrophobicContact CG1-CD1 3.88Å; V117-I262 HydrophobicContact CG1-CG2 4.06Å; V117-I262 HydrophobicContact CG2-CG2 4.04Å; T178-I262 HydrophobicContact CG2-CD1 4.23Å; W182-I262 HydrophobicContact CZ2-CD1 4.29Å; W182-I262 HydrophobicContact CZ2-CG1 4.35Å; A258-I262 VanDerWaalsContact O-CB 3.3Å; A258-I262 WeakPolarHBondContact O-CB 3.46Å; A258-I262 WeakPolarHBondContact O-CD1 3.15Å; A258-I262 WeakPolarHBondContact O-CG1 3.19Å; A258-I262 PolarHBondContact O-N 2.94Å; G259-I262 PolarHBondContact O-N 3.17Å; I262-L265 PolarHBondContact O-N 3.32Å; I262-G266 PolarHBondContact O-N 3.09Å; I262-C270 HydrophobicContact CG2-CB 4.11Å; I262-H272 VanDerWaalsContact CD1-CD2 3.49Å; I262-H272 WeakPolarHBondContact CD1-CD2 3.3Å; I262-H272 WeakPolarHBondContact CD1-NE2 3.39Å; I262-F355 HydrophobicContact CG1-CE2 4.48Å; I262-F355 HydrophobicContact CG1-CZ 4.22Å
263	K	96.2	Very high	96.3	Very high	11 Å²	11	18.5 Å²	18.5	5%	0.048	9%	0.087	C	C	.	.	H	α-helix	trans	-74.6	-25.1	175.5	-68.9	-169.8	176.5	-161.2	0	113.7	G259 R260 V261 E267 V302 P303 D304 D306	G259-K263 WeakPolarHBondContact O-CB 3.41Å; G259-K263 WeakPolarHBondContact O-CG 3.28Å; G259-K263 PolarHBondContact O-N 3.07Å; R260-K263 PolarHBondContact O-N 3.44Å; V261-K263 VanDerWaalsContact C-N 3.29Å; V261-K263 PolarHBondContact O-N 3.12Å; K263-E267 CarbonylContact O-C 3.57Å; K263-E267 WeakPolarHBondContact O-CA 3.28Å; K263-E267 PolarHBondContact O-N 2.79Å; K263-V302 HydrophobicContact CD-CG1 3.81Å; K263-P303 WeakPolarHBondContact CD-O 3.09Å; K263-P303 WeakPolarHBondContact CE-O 3.49Å; K263-P303 PolarHBondContact NZ-O 3.02Å; K263-D304 WeakPolarHBondContact CE-O 3.35Å; K263-D306 WeakPolarHBondContact CE-OD2 3.46Å; K263-D306 IonicContact NZ-OD1 3.13Å; K263-D306 PolarHBondContact NZ-OD1 2.73Å; K263-D306 IonicContact NZ-OD2 2.65Å; K263-D306 PolarHBondContact NZ-OD2 3.13Å
264	L	95.3	Very high	96.3	Very high	26 Å²	26	18.5 Å²	18.5	14%	0.136	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-41	169.8	-177	64.8	0	0	0	111.1	R260 V261 Y562 I563 K566 Y572	R260-L264 WeakPolarHBondContact O-CB 3.49Å; R260-L264 PolarHBondContact O-N 3.43Å; V261-L264 WeakPolarHBondContact O-CB 3.39Å; V261-L264 PolarHBondContact O-N 2.53Å; V261-L264 VanDerWaalsContact O-N 3.14Å; L264-Y562 HydrophobicContact CD2-CD1 4.16Å; L264-Y562 HydrophobicContact CD2-CE1 3.82Å; L264-Y562 HydrophobicContact CG-CE1 3.92Å; L264-I563 HydrophobicContact CD2-CG1 4.28Å; L264-K566 HydrophobicContact CD1-CB 4.24Å; L264-K566 HydrophobicContact CD1-CG 4.36Å; L264-K566 HydrophobicContact CD2-CB 4.16Å; L264-K566 HydrophobicContact CD2-CG 4.31Å; L264-Y572 HydrophobicContact CD1-CE2 3.82Å; L264-Y572 HydrophobicContact CD2-CD2 4.16Å; L264-Y572 HydrophobicContact CD2-CE2 4.19Å
265	L	95.9	Very high	96.3	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.042	8%	0.083	C	C	.	.	H	α-helix	trans	-77.7	-38.9	-178.6	-68.9	172	0	0	0	113.6	V261 I262 L351 I354 F355 L559 Y562	V261-L265 HydrophobicContact CG1-CD1 4.02Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.19Å; I262-L265 PolarHBondContact O-N 3.32Å; L265-L351 HydrophobicContact CB-CD2 3.71Å; L265-L351 HydrophobicContact CD1-CD2 4.21Å; L265-I354 HydrophobicContact CD1-CD1 4.12Å; L265-I354 HydrophobicContact CD1-CG2 4.32Å; L265-I354 HydrophobicContact CD2-CD1 3.83Å; L265-F355 HydrophobicContact CD1-CE2 4.25Å; L265-F355 HydrophobicContact CD1-CZ 4.21Å; L265-L559 HydrophobicContact CD1-CD2 3.78Å; L265-Y562 HydrophobicContact CD2-CD1 3.83Å; L265-Y562 HydrophobicContact CD2-CE1 3.48Å; L265-Y562 VanDerWaalsContact CD2-CE1 3.48Å; L265-Y562 HydrophobicContact CG-CE1 4.38Å
266	G	94.2	Very high	96.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-102.1	11.1	-179.8	0	0	0	0	0	114.7	I262 K269 I347	I262-G266 PolarHBondContact O-N 3.09Å; G266-K269 WeakPolarHBondContact O-CB 3.26Å; G266-K269 PolarHBondContact O-N 2.72Å; G266-I347 VanDerWaalsContact CA-CG2 3.5Å
267	E	87.3	Confident	96.3	Very high	130 Å²	130	18.5 Å²	18.5	61%	0.607	9%	0.087	S	C	*	.	G	3₁₀ helix	trans	54	-145.9	180	-53.5	176.8	-174.5	0	0	111.3	K263 K269	K263-E267 CarbonylContact O-C 3.57Å; K263-E267 WeakPolarHBondContact O-CA 3.28Å; K263-E267 PolarHBondContact O-N 2.79Å; E267-K269 PolarHBondContact O-N 2.67Å
268	E	87.1	Confident	96.1	Very high	65 Å²	65	19.4 Å²	19.4	30%	0.304	9%	0.092	S	C	.	.	G	3₁₀ helix	trans	-83.5	10.8	177.5	-57.7	-172.5	153.6	0	0	113.3	S294 K295 S296 V302	E268-S294 VanDerWaalsContact OE1-C 3.31Å; E268-S294 WeakPolarHBondContact OE1-CA 3.23Å; E268-S294 VanDerWaalsContact OE1-CB 3.24Å; E268-S294 WeakPolarHBondContact OE1-CB 3.48Å; E268-S294 PolarHBondContact OE1-OG 2.89Å; E268-S294 PolarHBondContact OE2-OG 3.13Å; E268-S294 VanDerWaalsContact OE2-OG 3.09Å; E268-K295 PolarHBondContact OE1-N 2.71Å; E268-S296 WeakPolarHBondContact OE2-CB 3.46Å; E268-S296 PolarHBondContact OE2-N 2.93Å; E268-S296 PolarHBondContact OE2-OG 2.81Å; E268-V302 HydrophobicContact CG-CG2 4.32Å
269	K	94.4	Very high	95.7	Very high	76 Å²	76	20.4 Å²	20.4	33%	0.33	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-90	-17.8	179.6	-61	-62.5	-172.3	174.8	0	112.8	S114 I115 G266 E267 Q344 I347	S114-K269 CarbonylContact C-O 3.58Å; S114-K269 WeakPolarHBondContact CA-O 3.44Å; I115-K269 HydrophobicContact CD1-CB 4.41Å; I115-K269 PolarHBondContact N-O 3.44Å; G266-K269 WeakPolarHBondContact O-CB 3.26Å; G266-K269 PolarHBondContact O-N 2.72Å; E267-K269 PolarHBondContact O-N 2.67Å; K269-Q344 HydrophobicContact CB-CG 4.34Å; K269-Q344 HydrophobicContact CD-CG 4.37Å; K269-Q344 HydrophobicContact CG-CG 4.45Å; K269-I347 HydrophobicContact CB-CD1 4.18Å; K269-I347 HydrophobicContact CG-CD1 4.02Å
270	C	96.9	Very high	95.4	Very high	7 Å²	7	21.7 Å²	21.7	5%	0.047	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130	179.1	-77.3	0	0	0	0	112.2	I115 I262	I115-C270 CarbonylContact O-C 3.53Å; I115-C270 WeakPolarHBondContact O-CA 3.45Å; I262-C270 HydrophobicContact CG2-CB 4.11Å
271	F	97.1	Very high	95.3	Very high	38 Å²	38	22.1 Å²	22.1	17%	0.167	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.4	164	-169.2	-82.3	0	0	0	108.1	I101 I115 I116 V117 V273 D306 L307	I101-F271 HydrophobicContact CD1-CE1 3.75Å; I101-F271 HydrophobicContact CD1-CE2 4.17Å; I101-F271 HydrophobicContact CD1-CZ 3.31Å; I101-F271 HydrophobicContact CG1-CZ 4.12Å; I101-F271 HydrophobicContact CG2-CD1 4.21Å; I101-F271 HydrophobicContact CG2-CE1 4Å; I101-F271 HydrophobicContact CG2-CE2 4.33Å; I101-F271 HydrophobicContact CG2-CG 4.48Å; I101-F271 HydrophobicContact CG2-CZ 4.08Å; I115-F271 PolarHBondContact O-N 2.94Å; I116-F271 WeakPolarHBondContact CA-O 3.12Å; V117-F271 PolarHBondContact N-O 2.77Å; F271-V273 HydrophobicContact CD1-CG2 3.94Å; F271-V273 HydrophobicContact CE1-CG2 3.88Å; F271-D306 WeakPolarHBondContact CA-OD2 3.37Å; F271-D306 HydrophobicContact CD1-CB 4.02Å; F271-D306 HydrophobicContact CD2-CB 3.8Å; F271-D306 HydrophobicContact CE1-CB 3.61Å; F271-D306 HydrophobicContact CE2-CB 3.39Å; F271-D306 HydrophobicContact CG-CB 4.09Å; F271-D306 HydrophobicContact CZ-CB 3.26Å; F271-L307 HydrophobicContact CE1-CB 4.03Å; F271-L307 HydrophobicContact CZ-CB 4.34Å
272	H	98.4	Very high	95.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123	-173.3	-177.6	-118	0	0	0	112	V117 S119 G259 I262 D306 L307	V117-H272 WeakPolarHBondContact O-CA 3.1Å; S119-H272 PolarHBondContact OG-NE2 3.32Å; G259-H272 VanDerWaalsContact CA-ND1 3.3Å; G259-H272 WeakPolarHBondContact CA-ND1 3.49Å; I262-H272 VanDerWaalsContact CD1-CD2 3.49Å; I262-H272 WeakPolarHBondContact CD1-CD2 3.3Å; I262-H272 WeakPolarHBondContact CD1-NE2 3.39Å; H272-D306 PolarHBondContact N-OD2 2.8Å; H272-D306 PolarHBondContact O-N 2.68Å; H272-L307 PolarHBondContact O-N 3.19Å
273	V	98.7	Very high	94.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.1	174.2	-174.4	0	0	0	0	108.9	F98 I116 V117 V118 S119 F271 I275 L307	F98-V273 HydrophobicContact CD2-CG2 4.25Å; F98-V273 HydrophobicContact CE2-CG2 3.88Å; I116-V273 HydrophobicContact CG2-CG2 4.44Å; V117-V273 PolarHBondContact O-N 3.23Å; V118-V273 CarbonylContact C-O 3.51Å; V118-V273 VanDerWaalsContact CA-O 3.27Å; V118-V273 WeakPolarHBondContact CA-O 3.36Å; V118-V273 HydrophobicContact CG2-CB 4.05Å; S119-V273 PolarHBondContact N-O 3.2Å; F271-V273 HydrophobicContact CD1-CG2 3.94Å; F271-V273 HydrophobicContact CE1-CG2 3.88Å; V273-I275 HydrophobicContact CG1-CD1 4.07Å; V273-L307 CarbonylContact C-O 3.49Å; V273-L307 VanDerWaalsContact CA-O 3.29Å; V273-L307 WeakPolarHBondContact CA-O 2.97Å; V273-L307 HydrophobicContact CB-CB 4.48Å; V273-L307 HydrophobicContact CG1-CB 4.2Å; V273-L307 HydrophobicContact CG1-CD2 4.22Å; V273-L307 HydrophobicContact CG1-CG 4.44Å; V273-L307 HydrophobicContact CG2-CB 4.13Å; V273-L307 HydrophobicContact CG2-CD2 4.4Å
274	S	98.7	Very high	94.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	132.2	175.5	-150.2	0	0	0	0	111.4	M276 L307 V308 L309	S274-M276 WeakPolarHBondContact OG-CE 3.47Å; S274-L307 PolarHBondContact N-O 3.24Å; S274-V308 CarbonylContact O-C 3.57Å; S274-V308 VanDerWaalsContact O-CA 3.25Å; S274-V308 WeakPolarHBondContact O-CA 3.46Å; S274-L309 PolarHBondContact O-N 2.91Å
275	I	98.8	Very high	94.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.5	174.5	-44.8	-61.4	0	0	0	109.4	V118 S119 L120 S121 T124 V273 L309 L314	V118-I275 HydrophobicContact CG1-CD1 4.24Å; V118-I275 HydrophobicContact CG1-CG1 3.69Å; S119-I275 PolarHBondContact O-N 3.45Å; L120-I275 HydrophobicContact CD2-CB 4.02Å; L120-I275 HydrophobicContact CD2-CG1 3.83Å; S121-I275 WeakPolarHBondContact CB-O 3.32Å; S121-I275 PolarHBondContact N-O 3.04Å; S121-I275 VanDerWaalsContact N-O 3.08Å; S121-I275 PolarHBondContact OG-O 3.28Å; T124-I275 HydrophobicContact CG2-CG2 3.67Å; V273-I275 HydrophobicContact CG1-CD1 4.07Å; I275-L309 WeakPolarHBondContact CA-O 3.2Å; I275-L309 HydrophobicContact CD1-CB 3.69Å; I275-L309 HydrophobicContact CD1-CD1 3.94Å; I275-L309 HydrophobicContact CD1-CG 4.05Å; I275-L314 HydrophobicContact CG1-CD2 4.4Å; I275-L314 HydrophobicContact CG2-CB 4.09Å; I275-L314 HydrophobicContact CG2-CD2 3.73Å; I275-L314 HydrophobicContact CG2-CG 4.48Å
276	M	98.2	Very high	94.4	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.044	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.8	-168.2	-73.5	-63.5	166.5	0	0	113.3	V180 Q255 S274 C278 K281 V308 L309 A310 T311	V180-M276 HydrophobicContact CB-CE 4.45Å; V180-M276 HydrophobicContact CG1-CE 3.66Å; V180-M276 HydrophobicContact CG2-CE 4.27Å; Q255-M276 HydrophobicContact CB-CE 3.61Å; Q255-M276 HydrophobicContact CG-CE 4.06Å; S274-M276 WeakPolarHBondContact OG-CE 3.47Å; M276-C278 PolarHBondContact O-N 3.23Å; M276-C278 VanDerWaalsContact O-N 3.12Å; M276-K281 HydrophobicContact CB-CB 3.91Å; M276-K281 HydrophobicContact CB-CG 3.81Å; M276-K281 HydrophobicContact CG-CB 4.04Å; M276-K281 HydrophobicContact CG-CD 4.46Å; M276-K281 HydrophobicContact CG-CG 3.91Å; M276-V308 HydrophobicContact CB-CG1 4.43Å; M276-L309 PolarHBondContact N-O 3.13Å; M276-A310 CarbonylContact O-C 3.56Å; M276-A310 VanDerWaalsContact O-CA 3.31Å; M276-A310 WeakPolarHBondContact O-CA 3.21Å; M276-T311 PolarHBondContact O-N 3.48Å; M276-T311 PolarHBondContact O-OG1 3.15Å
277	P	96.9	Very high	94.2	Very high	7 Å²	7	24.8 Å²	24.8	5%	0.045	12%	0.12	C	C	.	.	S	Bend	trans	-78.6	9.9	179.7	35.6	-34.8	0	0	0	113.3	S121 Q123 T311 C524 G527 G528 G529 Q530	S121-P277 WeakPolarHBondContact OG-CD 3.43Å; Q123-P277 HydrophobicContact CB-CB 4.02Å; Q123-P277 HydrophobicContact CB-CG 3.99Å; Q123-P277 HydrophobicContact CG-CG 4.49Å; P277-T311 WeakPolarHBondContact CA-OG1 3.2Å; P277-C524 HydrophobicContact CG-CB 4.33Å; P277-G527 CarbonylContact O-C 3.53Å; P277-G527 WeakPolarHBondContact O-CA 3.45Å; P277-G528 PolarHBondContact O-N 3.26Å; P277-G529 PolarHBondContact O-N 2.78Å; P277-Q530 VanDerWaalsContact CB-CD 3.48Å; P277-Q530 HydrophobicContact CB-CG 3.46Å; P277-Q530 VanDerWaalsContact CB-CG 3.46Å
278	C	94.2	Very high	94.2	Very high	18 Å²	18	23.5 Å²	23.5	12%	0.122	12%	0.121	C	C	.	.			trans	-143.1	132.9	-168.8	-174.1	0	0	0	0	111.5	M276 K281	M276-C278 PolarHBondContact O-N 3.23Å; M276-C278 VanDerWaalsContact O-N 3.12Å; C278-K281 HydrophobicContact CB-CG 4.02Å; C278-K281 WeakPolarHBondContact O-CB 3.41Å; C278-K281 PolarHBondContact O-N 3.45Å
279	F	90.4	Very high	94.4	Very high	22 Å²	22	22.4 Å²	22.4	10%	0.096	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-36.7	176.2	-70.1	-68	0	0	0	112.9	L72 K281 K282 A310 N312 E313 G528	L72-F279 HydrophobicContact CD1-CD1 3.9Å; L72-F279 HydrophobicContact CD1-CD2 3.87Å; L72-F279 HydrophobicContact CD1-CE1 3.67Å; L72-F279 HydrophobicContact CD1-CE2 3.63Å; L72-F279 HydrophobicContact CD1-CG 3.99Å; L72-F279 HydrophobicContact CD1-CZ 3.53Å; L72-F279 HydrophobicContact CD2-CD1 4.36Å; F279-K281 PolarHBondContact O-N 2.97Å; F279-K282 VanDerWaalsContact O-CB 3.24Å; F279-K282 WeakPolarHBondContact O-CB 3.3Å; F279-K282 VanDerWaalsContact O-CG 3.3Å; F279-K282 WeakPolarHBondContact O-CG 3.03Å; F279-K282 PolarHBondContact O-N 2.74Å; F279-A310 HydrophobicContact CD1-CB 3.58Å; F279-A310 HydrophobicContact CE1-CB 3.39Å; F279-A310 HydrophobicContact CG-CB 4.37Å; F279-A310 HydrophobicContact CZ-CB 4.06Å; F279-N312 WeakPolarHBondContact CZ-OD1 3.37Å; F279-E313 HydrophobicContact CE1-CG 4.38Å; F279-G528 VanDerWaalsContact CE2-O 3.28Å; F279-G528 WeakPolarHBondContact CE2-O 3.34Å
280	D	91.4	Very high	94.5	Very high	26 Å²	26	18.9 Å²	18.9	14%	0.139	10%	0.101	C	C	.	.	H	α-helix	trans	-62.7	-13.5	-179.7	-58.5	-8.9	0	0	0	112.7	P218 G219 K282 L283 E284	P218-D280 HydrophobicContact CB-CB 3.87Å; P218-D280 WeakPolarHBondContact CB-O 2.95Å; P218-D280 HydrophobicContact CG-CB 3.52Å; G219-D280 WeakPolarHBondContact CA-OD2 3.19Å; G219-D280 PolarHBondContact N-OD2 3.37Å; D280-K282 PolarHBondContact O-N 2.66Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.36Å; D280-E284 PolarHBondContact O-N 3.29Å
281	K	95.3	Very high	94.4	Very high	21 Å²	21	19.6 Å²	19.6	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-66.5	-21.7	171.1	-72.6	-67.4	-179.7	-171.4	0	113	I216 P218 S253 Q255 M276 C278 F279 E284 A285 V308	I216-K281 PolarHBondContact O-NZ 3.32Å; P218-K281 HydrophobicContact CG-CD 4.03Å; P218-K281 HydrophobicContact CG-CG 4.32Å; S253-K281 PolarHBondContact OG-NZ 3.39Å; S253-K281 VanDerWaalsContact OG-NZ 3.09Å; Q255-K281 HydrophobicContact CB-CD 4.49Å; Q255-K281 PolarHBondContact NE2-O 3.21Å; M276-K281 HydrophobicContact CB-CB 3.91Å; M276-K281 HydrophobicContact CB-CG 3.81Å; M276-K281 HydrophobicContact CG-CB 4.04Å; M276-K281 HydrophobicContact CG-CD 4.46Å; M276-K281 HydrophobicContact CG-CG 3.91Å; C278-K281 HydrophobicContact CB-CG 4.02Å; C278-K281 WeakPolarHBondContact O-CB 3.41Å; C278-K281 PolarHBondContact O-N 3.45Å; F279-K281 PolarHBondContact O-N 2.97Å; K281-E284 WeakPolarHBondContact CD-OE2 3.11Å; K281-E284 WeakPolarHBondContact CE-OE2 3.03Å; K281-E284 IonicContact NZ-OE1 2.62Å; K281-E284 IonicContact NZ-OE2 2.72Å; K281-E284 PolarHBondContact NZ-OE2 2.98Å; K281-A285 PolarHBondContact O-N 3.19Å; K281-A285 VanDerWaalsContact O-N 3.09Å; K281-V308 HydrophobicContact CB-CG1 3.95Å
282	K	94.6	Very high	94.2	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-66.7	-51.1	169.3	-60.2	173.5	172	-164.1	0	110.5	I90 H93 F279 D280 E284 A285 S286 V308 E313	I90-K282 HydrophobicContact CB-CD 4.48Å; I90-K282 HydrophobicContact CG1-CB 4.3Å; I90-K282 HydrophobicContact CG2-CD 3.81Å; H93-K282 HydrophobicContact CB-CB 3.87Å; H93-K282 HydrophobicContact CB-CD 3.73Å; H93-K282 HydrophobicContact CB-CG 3.63Å; H93-K282 WeakPolarHBondContact O-CE 3.23Å; H93-K282 PolarHBondContact O-NZ 3.46Å; F279-K282 VanDerWaalsContact O-CB 3.24Å; F279-K282 WeakPolarHBondContact O-CB 3.3Å; F279-K282 VanDerWaalsContact O-CG 3.3Å; F279-K282 WeakPolarHBondContact O-CG 3.03Å; F279-K282 PolarHBondContact O-N 2.74Å; D280-K282 PolarHBondContact O-N 2.66Å; K282-E284 VanDerWaalsContact C-N 3.26Å; K282-E284 PolarHBondContact O-N 2.84Å; K282-A285 WeakPolarHBondContact O-CB 3.39Å; K282-A285 PolarHBondContact O-N 3.19Å; K282-S286 PolarHBondContact O-N 3.34Å; K282-S286 PolarHBondContact O-OG 3.48Å; K282-S286 VanDerWaalsContact O-OG 3.04Å; K282-V308 HydrophobicContact CB-CB 4.48Å; K282-V308 WeakPolarHBondContact CE-O 3.46Å; K282-V308 HydrophobicContact CG-CB 3.83Å; K282-V308 HydrophobicContact CG-CG1 3.89Å; K282-E313 WeakPolarHBondContact CE-OE2 3.49Å; K282-E313 IonicContact NZ-OE1 2.81Å; K282-E313 PolarHBondContact NZ-OE1 3.27Å; K282-E313 IonicContact NZ-OE2 3.47Å; K282-E313 PolarHBondContact NZ-OE2 2.87Å
283	L	89.3	Confident	93.9	Very high	14 Å²	14	23.1 Å²	23.1	7%	0.073	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-41.1	174.3	-66.1	179.2	0	0	0	112.1	I82 E86 L89 I90 D280 A285 S286 R287	I82-L283 HydrophobicContact CD1-CD1 4.02Å; I82-L283 HydrophobicContact CG2-CD1 4.22Å; E86-L283 HydrophobicContact CB-CD1 4.34Å; E86-L283 HydrophobicContact CB-CD2 3.59Å; E86-L283 HydrophobicContact CG-CD2 3.94Å; E86-L283 WeakPolarHBondContact O-CD2 3.49Å; L89-L283 HydrophobicContact CB-CD2 4.36Å; I90-L283 HydrophobicContact CD1-CD1 4.06Å; I90-L283 HydrophobicContact CD1-CD2 3.86Å; I90-L283 HydrophobicContact CD1-CG 3.83Å; I90-L283 HydrophobicContact CG1-CD2 3.61Å; I90-L283 HydrophobicContact CG1-CG 3.77Å; D280-L283 WeakPolarHBondContact O-CB 3.46Å; D280-L283 PolarHBondContact O-N 3.36Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.86Å; L283-S286 PolarHBondContact O-N 3.45Å; L283-R287 WeakPolarHBondContact O-CG 3.35Å
284	E	93.1	Very high	93.5	Very high	9 Å²	9	24 Å²	24	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-58.3	-47.1	173.9	-161.1	-170.7	-178.4	0	0	111.2	P218 S253 Q256 D280 K281 K282 S286 R287 F290	P218-E284 HydrophobicContact CB-CB 4.07Å; S253-E284 WeakPolarHBondContact CB-OE1 3.12Å; S253-E284 VanDerWaalsContact OG-CD 3.26Å; S253-E284 PolarHBondContact OG-OE1 3.09Å; S253-E284 PolarHBondContact OG-OE2 3.27Å; Q256-E284 HydrophobicContact CG-CG 4.18Å; Q256-E284 WeakPolarHBondContact CG-OE1 3.28Å; Q256-E284 VanDerWaalsContact NE2-C 3.31Å; Q256-E284 PolarHBondContact NE2-O 3.49Å; D280-E284 PolarHBondContact O-N 3.29Å; K281-E284 WeakPolarHBondContact CD-OE2 3.11Å; K281-E284 WeakPolarHBondContact CE-OE2 3.03Å; K281-E284 IonicContact NZ-OE1 2.62Å; K281-E284 IonicContact NZ-OE2 2.72Å; K281-E284 PolarHBondContact NZ-OE2 2.98Å; K282-E284 VanDerWaalsContact C-N 3.26Å; K282-E284 PolarHBondContact O-N 2.84Å; E284-S286 VanDerWaalsContact C-N 3.28Å; E284-S286 PolarHBondContact O-N 2.89Å; E284-R287 PolarHBondContact O-N 3.17Å; E284-F290 HydrophobicContact CG-CD2 4.22Å; E284-F290 HydrophobicContact CG-CE2 3.64Å; E284-F290 HydrophobicContact CG-CZ 4.37Å; E284-F290 WeakPolarHBondContact O-CD2 3.46Å
285	A	95.2	Very high	93.1	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-30.9	178.9	0	0	0	0	0	113.7	K281 K282 L283 R287 V305 V308	K281-A285 PolarHBondContact O-N 3.19Å; K281-A285 VanDerWaalsContact O-N 3.09Å; K282-A285 WeakPolarHBondContact O-CB 3.39Å; K282-A285 PolarHBondContact O-N 3.19Å; L283-A285 VanDerWaalsContact C-N 3.35Å; L283-A285 PolarHBondContact O-N 2.86Å; A285-R287 VanDerWaalsContact C-N 3.29Å; A285-R287 PolarHBondContact O-N 3.34Å; A285-V305 HydrophobicContact CB-CB 4.02Å; A285-V305 HydrophobicContact CB-CG1 4.24Å; A285-V308 HydrophobicContact CB-CG2 3.58Å
286	S	91.8	Very high	92.6	Very high	33 Å²	33	37.5 Å²	37.5	23%	0.231	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-2.1	-179.5	-44.3	0	0	0	0	114.6	H93 K282 L283 E284	H93-S286 PolarHBondContact NE2-OG 3.23Å; K282-S286 PolarHBondContact O-N 3.34Å; K282-S286 PolarHBondContact O-OG 3.48Å; K282-S286 VanDerWaalsContact O-OG 3.04Å; L283-S286 PolarHBondContact O-N 3.45Å; E284-S286 VanDerWaalsContact C-N 3.28Å; E284-S286 PolarHBondContact O-N 2.89Å
287	R	89.7	Confident	92.1	Very high	40 Å²	40	41.5 Å²	41.5	15%	0.151	23%	0.229	C	C	.	.			trans	-75.6	136.4	-179.3	-62.7	169.3	62.2	120	4.8	111.5	E225 L283 E284 A285 E289 F290	E225-R287 IonicContact OE1-CZ 2.7Å; E225-R287 IonicContact OE1-NH1 2.82Å; E225-R287 PolarHBondContact OE1-NH1 3.36Å; E225-R287 IonicContact OE1-NH2 2.91Å; E225-R287 PolarHBondContact OE1-NH2 3.16Å; E225-R287 IonicContact OE2-CZ 2.79Å; E225-R287 IonicContact OE2-NH1 2.81Å; E225-R287 PolarHBondContact OE2-NH1 3.49Å; E225-R287 IonicContact OE2-NH2 3.67Å; E225-R287 PolarHBondContact OE2-NH2 3.37Å; L283-R287 WeakPolarHBondContact O-CG 3.35Å; E284-R287 PolarHBondContact O-N 3.17Å; A285-R287 VanDerWaalsContact C-N 3.29Å; A285-R287 PolarHBondContact O-N 3.34Å; R287-E289 IonicContact NE-OE2 2.62Å; R287-E289 IonicContact NH2-OE2 2.67Å; R287-E289 PolarHBondContact O-N 3.21Å; R287-F290 HydrophobicContact CB-CD2 3.83Å; R287-F290 HydrophobicContact CB-CE2 4.35Å; R287-F290 HydrophobicContact CG-CD2 4.45Å; R287-F290 PolarHBondContact O-N 3.18Å
288	V	88.1	Confident	91.8	Very high	104 Å²	104	46.1 Å²	46.1	63%	0.63	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-60.6	-30.5	179.8	-61.3	0	0	0	0	113	F290 S291	V288-F290 PolarHBondContact O-N 2.85Å; V288-S291 PolarHBondContact O-N 2.65Å; V288-S291 PolarHBondContact O-OG 2.85Å
289	E	92.1	Very high	91.4	Very high	41 Å²	41	53 Å²	53	19%	0.192	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-66.8	-18	176.9	-60	82.5	-174.4	0	0	113	R252 R287 S291 K578	R252-E289 PolarHBondContact NH2-O 3.17Å; R287-E289 IonicContact NE-OE2 2.62Å; R287-E289 IonicContact NH2-OE2 2.67Å; R287-E289 PolarHBondContact O-N 3.21Å; E289-S291 VanDerWaalsContact C-N 3.34Å; E289-K578 IonicContact OE1-NZ 2.66Å; E289-K578 PolarHBondContact OE1-NZ 2.97Å
290	F	95.5	Very high	91.4	Very high	2 Å²	2	57 Å²	57	1%	0.009	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-100.8	44.1	173.6	-59.4	-56.3	0	0	0	111.6	R252 Q256 E284 R287 V288 P303 D304 T575	R252-F290 HydrophobicContact CB-CE1 4.38Å; R252-F290 HydrophobicContact CG-CD1 4.41Å; R252-F290 HydrophobicContact CG-CE1 3.83Å; Q256-F290 HydrophobicContact CB-CD1 3.89Å; Q256-F290 HydrophobicContact CB-CE1 4.01Å; Q256-F290 HydrophobicContact CB-CG 4.42Å; Q256-F290 HydrophobicContact CG-CD1 3.72Å; Q256-F290 HydrophobicContact CG-CD2 4.01Å; Q256-F290 HydrophobicContact CG-CE1 3.77Å; Q256-F290 HydrophobicContact CG-CE2 4.05Å; Q256-F290 HydrophobicContact CG-CG 3.85Å; Q256-F290 HydrophobicContact CG-CZ 3.93Å; E284-F290 HydrophobicContact CG-CD2 4.22Å; E284-F290 HydrophobicContact CG-CE2 3.64Å; E284-F290 HydrophobicContact CG-CZ 4.37Å; E284-F290 WeakPolarHBondContact O-CD2 3.46Å; R287-F290 HydrophobicContact CB-CD2 3.83Å; R287-F290 HydrophobicContact CB-CE2 4.35Å; R287-F290 HydrophobicContact CG-CD2 4.45Å; R287-F290 PolarHBondContact O-N 3.18Å; V288-F290 PolarHBondContact O-N 2.85Å; F290-P303 CarbonylContact O-C 3.56Å; F290-P303 WeakPolarHBondContact O-CA 3.46Å; F290-D304 HydrophobicContact CB-CB 4.31Å; F290-D304 PolarHBondContact O-N 2.87Å; F290-T575 HydrophobicContact CE1-CG2 3.9Å; F290-T575 HydrophobicContact CZ-CG2 3.93Å
291	S	94.3	Very high	91.4	Very high	23 Å²	23	62.3 Å²	62.3	16%	0.161	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.8	172.2	71.3	0	0	0	0	110.1	V288 E289 Y301 V302	V288-S291 PolarHBondContact O-N 2.65Å; V288-S291 PolarHBondContact O-OG 2.85Å; E289-S291 VanDerWaalsContact C-N 3.34Å; S291-Y301 WeakPolarHBondContact OG-CD1 3.4Å; S291-V302 CarbonylContact C-O 3.59Å; S291-V302 VanDerWaalsContact CA-O 3.25Å; S291-V302 WeakPolarHBondContact CA-O 3.48Å
292	V	92.5	Very high	91.3	Very high	31 Å²	31	62 Å²	62	19%	0.188	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152.9	172.4	-64.7	0	0	0	0	110.5	R260 S294 Y301 V302 Y572	R260-V292 VanDerWaalsContact NH2-CG1 3.31Å; V292-S294 PolarHBondContact O-N 2.84Å; V292-Y301 CarbonylContact O-C 3.45Å; V292-Y301 WeakPolarHBondContact O-CA 3.5Å; V292-V302 PolarHBondContact N-O 3.02Å; V292-V302 PolarHBondContact O-N 3.28Å; V292-Y572 HydrophobicContact CG1-CE1 4.25Å
293	P	92.1	Very high	91.3	Very high	80 Å²	80	63.6 Å²	63.6	52%	0.519	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	135.8	172.3	-23.5	33.3	0	0	0	111.4	Y301	P293-Y301 HydrophobicContact CG-CD1 4.38Å; P293-Y301 HydrophobicContact CG-CE1 3.77Å
294	S	92.3	Very high	91.7	Very high	18 Å²	18	62.9 Å²	62.9	13%	0.126	34%	0.34	C	S	.	.			trans	-68.6	141.5	174.6	177.7	0	0	0	0	111	E268 V292 S296 I297 F300	E268-S294 VanDerWaalsContact OE1-C 3.31Å; E268-S294 WeakPolarHBondContact OE1-CA 3.23Å; E268-S294 VanDerWaalsContact OE1-CB 3.24Å; E268-S294 WeakPolarHBondContact OE1-CB 3.48Å; E268-S294 PolarHBondContact OE1-OG 2.89Å; E268-S294 PolarHBondContact OE2-OG 3.13Å; E268-S294 VanDerWaalsContact OE2-OG 3.09Å; V292-S294 PolarHBondContact O-N 2.84Å; S294-S296 PolarHBondContact OG-N 3.3Å; S294-S296 PolarHBondContact OG-OG 3.12Å; S294-I297 WeakPolarHBondContact CB-O 3.21Å; S294-I297 PolarHBondContact OG-N 3.4Å; S294-I297 VanDerWaalsContact OG-N 3.12Å; S294-F300 VanDerWaalsContact CB-O 3.28Å; S294-F300 WeakPolarHBondContact CB-O 3.4Å; S294-F300 PolarHBondContact N-O 3.32Å
295	K	89.1	Confident	91.9	Very high	194 Å²	194	62.6 Å²	62.6	84%	0.843	34%	0.339	S	S	*	.	S	Bend	trans	-81.9	-22.9	172.6	-65.1	-178.7	-179	175.9	0	112.4	E268	E268-K295 PolarHBondContact OE1-N 2.71Å
296	S	87.9	Confident	92	Very high	90 Å²	90	64.3 Å²	64.3	63%	0.629	35%	0.347	S	S	*	.	S	Bend	trans	-102.7	-27.7	-176.3	66.7	0	0	0	0	114.1	E268 S294	E268-S296 WeakPolarHBondContact OE2-CB 3.46Å; E268-S296 PolarHBondContact OE2-N 2.93Å; E268-S296 PolarHBondContact OE2-OG 2.81Å; S294-S296 PolarHBondContact OG-N 3.3Å; S294-S296 PolarHBondContact OG-OG 3.12Å
297	I	87.9	Confident	92.3	Very high	94 Å²	94	62.8 Å²	62.8	48%	0.482	34%	0.337	S	S	.	.	S	Bend	trans	-123.1	118.6	-176.9	-56.8	172.1	0	0	0	109.3	S294 F300	S294-I297 WeakPolarHBondContact CB-O 3.21Å; S294-I297 PolarHBondContact OG-N 3.4Å; S294-I297 VanDerWaalsContact OG-N 3.12Å; I297-F300 HydrophobicContact CB-CB 3.79Å; I297-F300 HydrophobicContact CB-CG 4.45Å; I297-F300 HydrophobicContact CG2-CB 3.57Å; I297-F300 HydrophobicContact CG2-CG 4.36Å; I297-F300 PolarHBondContact O-N 3.02Å
298	S	90.1	Very high	92.8	Very high	103 Å²	103	60.9 Å²	60.9	72%	0.72	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	142.9	174.8	56.8	0	0	0	0	111.2	F300	S298-F300 PolarHBondContact O-N 3.44Å
299	D	87	Confident	93.3	Very high	164 Å²	164	55.9 Å²	55.9	88%	0.877	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	11.9	179.7	-53.7	-36.4	0	0	0	115.4
300	F	89.2	Confident	93.5	Very high	106 Å²	106	54 Å²	54	47%	0.465	29%	0.29	S	S	.	.			trans	-101.4	138.2	172.2	-173.2	-106.5	0	0	0	110.5	S294 I297 S298 V302	S294-F300 VanDerWaalsContact CB-O 3.28Å; S294-F300 WeakPolarHBondContact CB-O 3.4Å; S294-F300 PolarHBondContact N-O 3.32Å; I297-F300 HydrophobicContact CB-CB 3.79Å; I297-F300 HydrophobicContact CB-CG 4.45Å; I297-F300 HydrophobicContact CG2-CB 3.57Å; I297-F300 HydrophobicContact CG2-CG 4.36Å; I297-F300 PolarHBondContact O-N 3.02Å; S298-F300 PolarHBondContact O-N 3.44Å; F300-V302 HydrophobicContact CD1-CG2 4.21Å; F300-V302 HydrophobicContact CE1-CG2 4.15Å
301	Y	91.7	Very high	93.6	Very high	136 Å²	136	53.9 Å²	53.9	53%	0.533	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.9	176.2	-80.2	-107.5	0	0	0	109.6	S291 V292 P293 P303	S291-Y301 WeakPolarHBondContact OG-CD1 3.4Å; V292-Y301 CarbonylContact O-C 3.45Å; V292-Y301 WeakPolarHBondContact O-CA 3.5Å; P293-Y301 HydrophobicContact CG-CD1 4.38Å; P293-Y301 HydrophobicContact CG-CE1 3.77Å; Y301-P303 WeakPolarHBondContact O-CD 3.28Å
302	V	93.2	Very high	93.7	Very high	15 Å²	15	55.1 Å²	55.1	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.4	177.1	-174.8	0	0	0	0	108.2	R260 K263 E268 S291 V292 F300	R260-V302 PolarHBondContact NH2-O 3.26Å; K263-V302 HydrophobicContact CD-CG1 3.81Å; E268-V302 HydrophobicContact CG-CG2 4.32Å; S291-V302 CarbonylContact C-O 3.59Å; S291-V302 VanDerWaalsContact CA-O 3.25Å; S291-V302 WeakPolarHBondContact CA-O 3.48Å; V292-V302 PolarHBondContact N-O 3.02Å; V292-V302 PolarHBondContact O-N 3.28Å; F300-V302 HydrophobicContact CD1-CG2 4.21Å; F300-V302 HydrophobicContact CE1-CG2 4.15Å
303	P	95.4	Very high	93.9	Very high	35 Å²	35	55.2 Å²	55.2	23%	0.227	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	155.7	177.1	27.7	-34.5	0	0	0	110.5	K263 F290 Y301 V305 D306	K263-P303 WeakPolarHBondContact CD-O 3.09Å; K263-P303 WeakPolarHBondContact CE-O 3.49Å; K263-P303 PolarHBondContact NZ-O 3.02Å; F290-P303 CarbonylContact O-C 3.56Å; F290-P303 WeakPolarHBondContact O-CA 3.46Å; Y301-P303 WeakPolarHBondContact O-CD 3.28Å; P303-V305 VanDerWaalsContact C-N 3.34Å; P303-D306 WeakPolarHBondContact CG-OD1 3.34Å
304	D	97.2	Very high	94.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-63	-46.2	171.9	-74	1.4	0	0	0	110.1	R252 Q256 G259 R260 K263 F290	R252-D304 IonicContact CZ-OD2 3.78Å; R252-D304 VanDerWaalsContact NH1-CG 3.32Å; R252-D304 IonicContact NH1-OD1 2.78Å; R252-D304 PolarHBondContact NH1-OD1 2.78Å; R252-D304 IonicContact NH1-OD2 3.51Å; R252-D304 PolarHBondContact NH1-OD2 3.1Å; Q256-D304 VanDerWaalsContact OE1-CB 3.26Å; G259-D304 CarbonylContact C-O 3.52Å; G259-D304 WeakPolarHBondContact CA-O 3.21Å; R260-D304 HydrophobicContact CB-CB 4.49Å; R260-D304 IonicContact CZ-OD1 3.36Å; R260-D304 IonicContact NE-OD1 2.95Å; R260-D304 PolarHBondContact NE-OD1 3.17Å; R260-D304 IonicContact NH2-OD1 2.71Å; R260-D304 PolarHBondContact NH2-OD1 3.27Å; K263-D304 WeakPolarHBondContact CE-O 3.35Å; F290-D304 HydrophobicContact CB-CB 4.31Å; F290-D304 PolarHBondContact O-N 2.87Å
305	V	98.2	Very high	94.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	27%	0.265	C	S	.	.			trans	-124.7	121.1	-177	-178.5	0	0	0	0	108.5	Q255 A285 P303 L307 V308	Q255-V305 HydrophobicContact CG-CG2 3.78Å; A285-V305 HydrophobicContact CB-CB 4.02Å; A285-V305 HydrophobicContact CB-CG1 4.24Å; P303-V305 VanDerWaalsContact C-N 3.34Å; V305-L307 VanDerWaalsContact CG1-O 3.32Å; V305-L307 WeakPolarHBondContact CG1-O 3.39Å; V305-V308 HydrophobicContact CG1-CG2 3.66Å
306	D	97.4	Very high	94.8	Very high	39 Å²	39	45.6 Å²	45.6	21%	0.209	25%	0.251	C	S	.	.	S	Bend	trans	-81.7	-30.9	-175.6	-57.2	-76.5	0	0	0	112.9	K263 F271 H272 P303	K263-D306 WeakPolarHBondContact CE-OD2 3.46Å; K263-D306 IonicContact NZ-OD1 3.13Å; K263-D306 PolarHBondContact NZ-OD1 2.73Å; K263-D306 IonicContact NZ-OD2 2.65Å; K263-D306 PolarHBondContact NZ-OD2 3.13Å; F271-D306 WeakPolarHBondContact CA-OD2 3.37Å; F271-D306 HydrophobicContact CD1-CB 4.02Å; F271-D306 HydrophobicContact CD2-CB 3.8Å; F271-D306 HydrophobicContact CE1-CB 3.61Å; F271-D306 HydrophobicContact CE2-CB 3.39Å; F271-D306 HydrophobicContact CG-CB 4.09Å; F271-D306 HydrophobicContact CZ-CB 3.26Å; H272-D306 PolarHBondContact N-OD2 2.8Å; H272-D306 PolarHBondContact O-N 2.68Å; P303-D306 WeakPolarHBondContact CG-OD1 3.34Å
307	L	98.4	Very high	95.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.7	-178.6	-167.5	71.8	0	0	0	111	H93 V97 F98 I101 F271 H272 V273 S274 V305 L309	H93-L307 HydrophobicContact CB-CD1 4.36Å; V97-L307 HydrophobicContact CB-CD1 4.32Å; V97-L307 HydrophobicContact CG1-CD1 3.88Å; F98-L307 HydrophobicContact CB-CD2 3.52Å; F98-L307 HydrophobicContact CD2-CD2 3.85Å; F98-L307 HydrophobicContact CG-CD2 3.89Å; I101-L307 HydrophobicContact CD1-CD2 4.22Å; F271-L307 HydrophobicContact CE1-CB 4.03Å; F271-L307 HydrophobicContact CZ-CB 4.34Å; H272-L307 PolarHBondContact O-N 3.19Å; V273-L307 CarbonylContact C-O 3.49Å; V273-L307 VanDerWaalsContact CA-O 3.29Å; V273-L307 WeakPolarHBondContact CA-O 2.97Å; V273-L307 HydrophobicContact CB-CB 4.48Å; V273-L307 HydrophobicContact CG1-CB 4.2Å; V273-L307 HydrophobicContact CG1-CD2 4.22Å; V273-L307 HydrophobicContact CG1-CG 4.44Å; V273-L307 HydrophobicContact CG2-CB 4.13Å; V273-L307 HydrophobicContact CG2-CD2 4.4Å; S274-L307 PolarHBondContact N-O 3.24Å; V305-L307 VanDerWaalsContact CG1-O 3.32Å; V305-L307 WeakPolarHBondContact CG1-O 3.39Å; L307-L309 HydrophobicContact CD2-CD2 4.38Å
308	V	98.5	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.4	176.1	179	0	0	0	0	108.8	H93 S274 M276 K281 K282 A285 V305	H93-V308 WeakPolarHBondContact CB-O 3.44Å; H93-V308 PolarHBondContact ND1-N 3.02Å; S274-V308 CarbonylContact O-C 3.57Å; S274-V308 VanDerWaalsContact O-CA 3.25Å; S274-V308 WeakPolarHBondContact O-CA 3.46Å; M276-V308 HydrophobicContact CB-CG1 4.43Å; K281-V308 HydrophobicContact CB-CG1 3.95Å; K282-V308 HydrophobicContact CB-CB 4.48Å; K282-V308 WeakPolarHBondContact CE-O 3.46Å; K282-V308 HydrophobicContact CG-CB 3.83Å; K282-V308 HydrophobicContact CG-CG1 3.89Å; A285-V308 HydrophobicContact CB-CG2 3.58Å; V305-V308 HydrophobicContact CG1-CG2 3.66Å
309	L	98.3	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.5	169.9	-55.4	-179.8	0	0	0	109.4	S94 F98 S274 I275 M276 L307 E313	S94-L309 WeakPolarHBondContact O-CD2 3.04Å; F98-L309 HydrophobicContact CB-CD1 4.39Å; F98-L309 HydrophobicContact CD1-CD1 3.75Å; F98-L309 HydrophobicContact CE1-CD1 4.38Å; F98-L309 HydrophobicContact CG-CD1 4.31Å; S274-L309 PolarHBondContact O-N 2.91Å; I275-L309 WeakPolarHBondContact CA-O 3.2Å; I275-L309 HydrophobicContact CD1-CB 3.69Å; I275-L309 HydrophobicContact CD1-CD1 3.94Å; I275-L309 HydrophobicContact CD1-CG 4.05Å; M276-L309 PolarHBondContact N-O 3.13Å; L307-L309 HydrophobicContact CD2-CD2 4.38Å; L309-E313 HydrophobicContact CB-CB 4.47Å
310	A	97.3	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	155.4	167.5	0	0	0	0	0	110.6	M276 F279 N312 E313 L314	M276-A310 CarbonylContact O-C 3.56Å; M276-A310 VanDerWaalsContact O-CA 3.31Å; M276-A310 WeakPolarHBondContact O-CA 3.21Å; F279-A310 HydrophobicContact CD1-CB 3.58Å; F279-A310 HydrophobicContact CE1-CB 3.39Å; F279-A310 HydrophobicContact CG-CB 4.37Å; F279-A310 HydrophobicContact CZ-CB 4.06Å; A310-N312 VanDerWaalsContact C-N 3.29Å; A310-N312 VanDerWaalsContact CB-OD1 3.3Å; A310-N312 WeakPolarHBondContact CB-OD1 3.33Å; A310-N312 PolarHBondContact O-N 3Å; A310-E313 HydrophobicContact CB-CG 4.18Å; A310-E313 WeakPolarHBondContact CB-OE2 3.19Å; A310-E313 PolarHBondContact N-OE2 2.83Å; A310-E313 WeakPolarHBondContact O-CB 3.32Å; A310-E313 PolarHBondContact O-N 3.25Å; A310-L314 PolarHBondContact O-N 3.46Å
311	T	98.1	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-52.7	-42.9	179	-58.7	0	0	0	0	113.2	T124 N127 L128 M276 P277 L314 L315 G529 Q530	T124-T311 HydrophobicContact CG2-CG2 3.94Å; T124-T311 PolarHBondContact OG1-OG1 2.96Å; N127-T311 HydrophobicContact CB-CG2 4.13Å; N127-T311 WeakPolarHBondContact OD1-CG2 3.33Å; L128-T311 HydrophobicContact CD1-CG2 4.49Å; L128-T311 HydrophobicContact CD2-CG2 3.75Å; L128-T311 HydrophobicContact CG-CG2 3.81Å; M276-T311 PolarHBondContact O-N 3.48Å; M276-T311 PolarHBondContact O-OG1 3.15Å; P277-T311 WeakPolarHBondContact CA-OG1 3.2Å; T311-L314 PolarHBondContact O-N 3.3Å; T311-L315 PolarHBondContact O-N 3.42Å; T311-G529 WeakPolarHBondContact CB-O 2.88Å; T311-G529 PolarHBondContact N-O 2.89Å; T311-Q530 HydrophobicContact CG2-CG 4.42Å
312	N	96.5	Very high	95.9	Very high	49 Å²	49	19.8 Å²	19.8	26%	0.262	12%	0.117	S	C	.	.	H	α-helix	trans	-70.2	-31.3	178.2	71.6	-38.9	0	0	0	112.8	F279 A310 L315 C316 G529	F279-N312 WeakPolarHBondContact CZ-OD1 3.37Å; A310-N312 VanDerWaalsContact C-N 3.29Å; A310-N312 VanDerWaalsContact CB-OD1 3.3Å; A310-N312 WeakPolarHBondContact CB-OD1 3.33Å; A310-N312 PolarHBondContact O-N 3Å; N312-L315 WeakPolarHBondContact O-CB 3.3Å; N312-L315 PolarHBondContact O-N 3.11Å; N312-C316 PolarHBondContact O-N 3.4Å; N312-C316 PolarHBondContact O-SG 3.2Å; N312-C316 VanDerWaalsContact O-SG 3.37Å; N312-G529 PolarHBondContact N-O 3.31Å; N312-G529 PolarHBondContact OD1-O 2.77Å; N312-G529 VanDerWaalsContact OD1-O 3.05Å
313	E	97.1	Very high	95.5	Very high	34 Å²	34	22 Å²	22	16%	0.159	13%	0.128	C	C	.	.	H	α-helix	trans	-69.5	-39.2	174	-65.1	175.7	137.6	0	0	110.9	F279 K282 L309 A310 L315 F317	F279-E313 HydrophobicContact CE1-CG 4.38Å; K282-E313 WeakPolarHBondContact CE-OE2 3.49Å; K282-E313 IonicContact NZ-OE1 2.81Å; K282-E313 PolarHBondContact NZ-OE1 3.27Å; K282-E313 IonicContact NZ-OE2 3.47Å; K282-E313 PolarHBondContact NZ-OE2 2.87Å; L309-E313 HydrophobicContact CB-CB 4.47Å; A310-E313 HydrophobicContact CB-CG 4.18Å; A310-E313 WeakPolarHBondContact CB-OE2 3.19Å; A310-E313 PolarHBondContact N-OE2 2.83Å; A310-E313 WeakPolarHBondContact O-CB 3.32Å; A310-E313 PolarHBondContact O-N 3.25Å; E313-L315 VanDerWaalsContact C-N 3.33Å; E313-F317 WeakPolarHBondContact O-CB 3.3Å; E313-F317 PolarHBondContact O-N 2.59Å
314	L	98	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.2	-42.6	171.3	178.6	64.2	0	0	0	111.1	L120 T124 L128 I165 L169 I275 A310 T311 F317 L318	L120-L314 HydrophobicContact CD2-CD2 4.34Å; T124-L314 HydrophobicContact CG2-CD2 4.13Å; L128-L314 HydrophobicContact CD1-CD2 3.96Å; L128-L314 HydrophobicContact CD1-CG 4.37Å; I165-L314 HydrophobicContact CG2-CD2 4.31Å; L169-L314 HydrophobicContact CD2-CD1 4.35Å; I275-L314 HydrophobicContact CG1-CD2 4.4Å; I275-L314 HydrophobicContact CG2-CB 4.09Å; I275-L314 HydrophobicContact CG2-CD2 3.73Å; I275-L314 HydrophobicContact CG2-CG 4.48Å; A310-L314 PolarHBondContact O-N 3.46Å; T311-L314 PolarHBondContact O-N 3.3Å; L314-F317 HydrophobicContact CD1-CD1 4.41Å; L314-F317 PolarHBondContact O-N 2.74Å; L314-L318 HydrophobicContact CD1-CD1 3.88Å; L314-L318 HydrophobicContact CD1-CD2 4.32Å; L314-L318 HydrophobicContact CD1-CG 3.84Å; L314-L318 HydrophobicContact CD2-CD1 4.38Å; L314-L318 HydrophobicContact CG-CD1 3.85Å; L314-L318 HydrophobicContact CG-CG 4.22Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 2.62Å
315	L	97.7	Very high	93.5	Very high	11 Å²	11	25.5 Å²	25.5	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-58.7	175.5	173.5	60.4	0	0	0	111.3	L128 L140 T311 N312 E313 F317 L318 E319 V531	L128-L315 HydrophobicContact CD2-CB 3.74Å; L128-L315 HydrophobicContact CD2-CD1 4.37Å; L128-L315 HydrophobicContact CD2-CD2 4.46Å; L128-L315 HydrophobicContact CD2-CG 4.42Å; L140-L315 HydrophobicContact CB-CD1 4.18Å; L140-L315 HydrophobicContact CD2-CD1 3.54Å; L140-L315 HydrophobicContact CG-CD1 4.49Å; T311-L315 PolarHBondContact O-N 3.42Å; N312-L315 WeakPolarHBondContact O-CB 3.3Å; N312-L315 PolarHBondContact O-N 3.11Å; E313-L315 VanDerWaalsContact C-N 3.33Å; L315-F317 PolarHBondContact O-N 2.87Å; L315-L318 PolarHBondContact O-N 2.95Å; L315-E319 HydrophobicContact CD1-CG 3.98Å; L315-E319 WeakPolarHBondContact O-CG 3.14Å; L315-E319 PolarHBondContact O-N 3.5Å; L315-V531 HydrophobicContact CD2-CG2 3.52Å
316	C	96.2	Very high	91.9	Very high	79 Å²	79	32.5 Å²	32.5	53%	0.534	18%	0.184	S	C	.	.	H	α-helix	trans	-59	-38.2	-179.1	-66.2	0	0	0	0	111.6	N312 S320	N312-C316 PolarHBondContact O-N 3.4Å; N312-C316 PolarHBondContact O-SG 3.2Å; N312-C316 VanDerWaalsContact O-SG 3.37Å; C316-S320 WeakPolarHBondContact O-CB 3.18Å; C316-S320 PolarHBondContact O-N 2.85Å
317	F	95.5	Very high	90.4	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-52.9	175.8	179.4	-114.4	0	0	0	111.5	F98 S99 L102 I172 E313 L314 L315 E319 S320 L321	F98-F317 HydrophobicContact CD1-CD1 4.31Å; F98-F317 AromaticContact CD1-CE1 3.69Å; F98-F317 HydrophobicContact CD1-CE1 3.69Å; F98-F317 AromaticContact CD1-CZ 3.84Å; F98-F317 HydrophobicContact CD1-CZ 3.84Å; F98-F317 AromaticContact CE1-CE1 3.77Å; F98-F317 HydrophobicContact CE1-CE1 3.77Å; F98-F317 HydrophobicContact CE1-CZ 4.21Å; S99-F317 WeakPolarHBondContact OG-CE2 3.47Å; L102-F317 HydrophobicContact CD1-CZ 4.5Å; I172-F317 HydrophobicContact CD1-CE1 3.46Å; I172-F317 VanDerWaalsContact CD1-CE1 3.46Å; I172-F317 HydrophobicContact CD1-CZ 3.75Å; E313-F317 WeakPolarHBondContact O-CB 3.3Å; E313-F317 PolarHBondContact O-N 2.59Å; L314-F317 HydrophobicContact CD1-CD1 4.41Å; L314-F317 PolarHBondContact O-N 2.74Å; L315-F317 PolarHBondContact O-N 2.87Å; F317-E319 VanDerWaalsContact C-N 3.34Å; F317-E319 PolarHBondContact O-N 3.14Å; F317-S320 WeakPolarHBondContact O-CB 3.31Å; F317-S320 PolarHBondContact O-N 3.39Å; F317-S320 VanDerWaalsContact O-N 3.14Å; F317-S320 PolarHBondContact O-OG 3.12Å; F317-L321 HydrophobicContact CD1-CD1 4.38Å; F317-L321 HydrophobicContact CE1-CD1 3.95Å; F317-L321 HydrophobicContact CE2-CD1 4.46Å; F317-L321 HydrophobicContact CZ-CD1 4Å; F317-L321 WeakPolarHBondContact O-CG 3.46Å; F317-L321 PolarHBondContact O-N 2.73Å
318	L	95.1	Very high	88.9	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-40.5	178.9	-68	173.3	0	0	0	112.2	L140 I165 C168 L314 L315 S320 L321 I322 F331	L140-L318 HydrophobicContact CD1-CB 3.97Å; L140-L318 HydrophobicContact CD1-CD1 4.15Å; I165-L318 HydrophobicContact CD1-CD1 3.54Å; C168-L318 HydrophobicContact CB-CD2 3.89Å; L314-L318 HydrophobicContact CD1-CD1 3.88Å; L314-L318 HydrophobicContact CD1-CD2 4.32Å; L314-L318 HydrophobicContact CD1-CG 3.84Å; L314-L318 HydrophobicContact CD2-CD1 4.38Å; L314-L318 HydrophobicContact CG-CD1 3.85Å; L314-L318 HydrophobicContact CG-CG 4.22Å; L314-L318 WeakPolarHBondContact O-CB 3.4Å; L314-L318 VanDerWaalsContact O-CG 3.28Å; L314-L318 WeakPolarHBondContact O-CG 3.42Å; L314-L318 PolarHBondContact O-N 2.62Å; L315-L318 PolarHBondContact O-N 2.95Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.93Å; L318-L321 WeakPolarHBondContact O-CB 3.27Å; L318-L321 PolarHBondContact O-N 2.97Å; L318-L321 VanDerWaalsContact O-N 3.16Å; L318-I322 WeakPolarHBondContact O-CG1 3.28Å; L318-I322 PolarHBondContact O-N 3.46Å; L318-F331 HydrophobicContact CD2-CZ 4.25Å
319	E	94.5	Very high	87.5	Confident	46 Å²	46	43 Å²	43	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-32.7	175.7	-69.3	-159.8	136.3	0	0	113.2	S138 K139 L140 L315 F317 L321 I322	S138-E319 WeakPolarHBondContact CB-OE1 3.49Å; K139-E319 HydrophobicContact CB-CB 4.26Å; K139-E319 HydrophobicContact CB-CG 4.06Å; K139-E319 HydrophobicContact CD-CB 4.44Å; K139-E319 WeakPolarHBondContact CD-O 3.06Å; K139-E319 PolarHBondContact N-OE1 3.4Å; L140-E319 HydrophobicContact CB-CG 3.99Å; L140-E319 PolarHBondContact N-OE1 2.94Å; L315-E319 HydrophobicContact CD1-CG 3.98Å; L315-E319 WeakPolarHBondContact O-CG 3.14Å; L315-E319 PolarHBondContact O-N 3.5Å; F317-E319 VanDerWaalsContact C-N 3.34Å; F317-E319 PolarHBondContact O-N 3.14Å; E319-L321 PolarHBondContact O-N 3.32Å; E319-I322 PolarHBondContact O-N 3.07Å
320	S	92.4	Very high	86.2	Confident	79 Å²	79	44.3 Å²	44.3	55%	0.552	25%	0.253	S	S	*	.	H	α-helix	trans	-67.3	-21.9	175	76.7	0	0	0	0	113.1	C316 F317 L318	C316-S320 WeakPolarHBondContact O-CB 3.18Å; C316-S320 PolarHBondContact O-N 2.85Å; F317-S320 WeakPolarHBondContact O-CB 3.31Å; F317-S320 PolarHBondContact O-N 3.39Å; F317-S320 VanDerWaalsContact O-N 3.14Å; F317-S320 PolarHBondContact O-OG 3.12Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.93Å
321	L	88.7	Confident	84.9	Confident	15 Å²	15	46.3 Å²	46.3	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-87	-13.9	177.4	-60.1	176.7	0	0	0	113	I172 F317 L318 E319 F331 S332 F333	I172-L321 HydrophobicContact CG2-CD1 3.75Å; F317-L321 HydrophobicContact CD1-CD1 4.38Å; F317-L321 HydrophobicContact CE1-CD1 3.95Å; F317-L321 HydrophobicContact CE2-CD1 4.46Å; F317-L321 HydrophobicContact CZ-CD1 4Å; F317-L321 WeakPolarHBondContact O-CG 3.46Å; F317-L321 PolarHBondContact O-N 2.73Å; L318-L321 WeakPolarHBondContact O-CB 3.27Å; L318-L321 PolarHBondContact O-N 2.97Å; L318-L321 VanDerWaalsContact O-N 3.16Å; E319-L321 PolarHBondContact O-N 3.32Å; L321-F331 HydrophobicContact CB-CD1 3.99Å; L321-F331 HydrophobicContact CB-CE1 3.72Å; L321-F331 HydrophobicContact CB-CZ 4.26Å; L321-F331 HydrophobicContact CD1-CD1 4.48Å; L321-F331 HydrophobicContact CD1-CE1 3.83Å; L321-F331 HydrophobicContact CG-CE1 4.47Å; L321-S332 PolarHBondContact O-N 3.34Å; L321-S332 PolarHBondContact O-OG 2.93Å; L321-F333 HydrophobicContact CD1-CE2 3.99Å; L321-F333 HydrophobicContact CD2-CD2 4.31Å; L321-F333 HydrophobicContact CD2-CE2 3.54Å; L321-F333 HydrophobicContact CD2-CZ 4.2Å; L321-F333 HydrophobicContact CG-CE2 4.29Å
322	I	89.7	Confident	83.3	Confident	3 Å²	3	49 Å²	49	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	115.5	-178.8	-65.4	163.5	0	0	0	109.4	K139 L140 A143 L318 E319 E324 V329 F331	K139-I322 HydrophobicContact CB-CB 4.19Å; K139-I322 HydrophobicContact CB-CD1 4.09Å; K139-I322 HydrophobicContact CB-CG2 4.06Å; K139-I322 HydrophobicContact CD-CB 4.33Å; K139-I322 HydrophobicContact CD-CG2 4.43Å; K139-I322 PolarHBondContact NZ-O 3.03Å; L140-I322 HydrophobicContact CB-CD1 4.5Å; L140-I322 HydrophobicContact CD1-CD1 4.19Å; A143-I322 HydrophobicContact CB-CD1 3.55Å; A143-I322 HydrophobicContact CB-CG1 4.2Å; L318-I322 WeakPolarHBondContact O-CG1 3.28Å; L318-I322 PolarHBondContact O-N 3.46Å; E319-I322 PolarHBondContact O-N 3.07Å; I322-E324 HydrophobicContact CG2-CG 4.21Å; I322-V329 HydrophobicContact CG2-CG1 3.57Å; I322-F331 HydrophobicContact CD1-CE2 4.07Å; I322-F331 HydrophobicContact CG1-CD2 3.93Å; I322-F331 HydrophobicContact CG1-CE2 3.47Å; I322-F331 VanDerWaalsContact CG1-CE2 3.47Å; I322-F331 HydrophobicContact CG1-CZ 4.2Å
323	D	84.8	Confident	81.6	Confident	63 Å²	63	50.2 Å²	50.2	34%	0.337	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	140.9	169.3	-173.3	19.4	0	0	0	110	S325 S330	D323-S325 PolarHBondContact OD1-N 2.88Å; D323-S325 VanDerWaalsContact OD1-N 3.14Å; D323-S325 PolarHBondContact OD2-OG 3.01Å; D323-S330 PolarHBondContact N-O 2.87Å; D323-S330 PolarHBondContact O-N 3.46Å
324	E	77	Confident	79.5	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.271	31%	0.306	S	S	.	.			trans	-124.1	23.7	-176.3	-54.2	-168.3	146.7	0	0	111.4	K139 R142 I322 T328	K139-E324 HydrophobicContact CD-CG 4.46Å; K139-E324 VanDerWaalsContact CG-OE1 3.26Å; K139-E324 WeakPolarHBondContact CG-OE1 3.31Å; R142-E324 IonicContact CZ-OE1 3.73Å; R142-E324 IonicContact CZ-OE2 2.73Å; R142-E324 IonicContact NE-OE1 2.73Å; R142-E324 VanDerWaalsContact NH1-CD 3.34Å; R142-E324 IonicContact NH1-OE1 2.92Å; R142-E324 PolarHBondContact NH1-OE1 3.43Å; R142-E324 IonicContact NH1-OE2 3.46Å; R142-E324 PolarHBondContact NH1-OE2 2.72Å; R142-E324 IonicContact NH2-OE1 2.91Å; R142-E324 PolarHBondContact NH2-OE1 2.73Å; R142-E324 IonicContact NH2-OE2 2.72Å; R142-E324 PolarHBondContact NH2-OE2 3.46Å; I322-E324 HydrophobicContact CG2-CG 4.21Å; E324-T328 WeakPolarHBondContact CA-O 3.28Å
325	S	74.3	Confident	77.5	Confident	49 Å²	49	58.3 Å²	58.3	34%	0.343	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.9	140.5	174.4	60.2	0	0	0	0	111.2	D323 D327 T328	D323-S325 PolarHBondContact OD1-N 2.88Å; D323-S325 VanDerWaalsContact OD1-N 3.14Å; D323-S325 PolarHBondContact OD2-OG 3.01Å; S325-D327 PolarHBondContact O-N 2.96Å; S325-T328 PolarHBondContact O-N 3.49Å; S325-T328 PolarHBondContact O-OG1 3.4Å; S325-T328 VanDerWaalsContact O-OG1 3.13Å
326	N	64.9	Low	75.9	Confident	149 Å²	149	59 Å²	59	80%	0.797	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	57.9	38.2	173.8	-59.2	-29.6	0	0	0	117.1	T328	N326-T328 PolarHBondContact O-N 2.94Å
327	D	65.6	Low	74.4	Confident	173 Å²	173	57.9 Å²	57.9	93%	0.925	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	59.9	6.9	-178.5	-67.5	-32.5	0	0	0	114.9	S325	S325-D327 PolarHBondContact O-N 2.96Å
328	T	67.6	Low	73.3	Confident	71 Å²	71	61 Å²	61	44%	0.436	35%	0.351	S	S	.	.			trans	-102.2	139.2	173.4	59.9	0	0	0	0	109.7	E324 S325 N326	E324-T328 WeakPolarHBondContact CA-O 3.28Å; S325-T328 PolarHBondContact O-N 3.49Å; S325-T328 PolarHBondContact O-OG1 3.4Å; S325-T328 VanDerWaalsContact O-OG1 3.13Å; N326-T328 PolarHBondContact O-N 2.94Å
329	V	68.2	Low	73	Confident	17 Å²	17	66.8 Å²	66.8	10%	0.103	38%	0.378	C	S	.	.			trans	-96.8	113.3	173.2	-174.6	0	0	0	0	106.8	R142 A143 I322 F371	R142-V329 HydrophobicContact CB-CG2 4.05Å; A143-V329 HydrophobicContact CB-CG1 4Å; I322-V329 HydrophobicContact CG2-CG1 3.57Å; V329-F371 HydrophobicContact CB-CE2 4.34Å; V329-F371 HydrophobicContact CG1-CE2 3.89Å; V329-F371 HydrophobicContact CG1-CZ 3.93Å; V329-F371 WeakPolarHBondContact O-CE2 3.33Å
330	S	71.5	Confident	72.9	Confident	27 Å²	27	65.6 Å²	65.6	19%	0.189	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	156.1	178.8	68	0	0	0	0	110.8	D323	D323-S330 PolarHBondContact N-O 2.87Å; D323-S330 PolarHBondContact O-N 3.46Å
331	F	68.8	Low	73	Confident	42 Å²	42	61.9 Å²	61.9	18%	0.184	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	115.8	167.7	-109.8	-115.8	0	0	0	108.2	C168 L318 L321 I322 F333 F371	C168-F331 HydrophobicContact CB-CE1 3.96Å; C168-F331 HydrophobicContact CB-CE2 4.5Å; C168-F331 HydrophobicContact CB-CZ 3.69Å; C168-F331 VanDerWaalsContact SG-CZ 3.58Å; L318-F331 HydrophobicContact CD2-CZ 4.25Å; L321-F331 HydrophobicContact CB-CD1 3.99Å; L321-F331 HydrophobicContact CB-CE1 3.72Å; L321-F331 HydrophobicContact CB-CZ 4.26Å; L321-F331 HydrophobicContact CD1-CD1 4.48Å; L321-F331 HydrophobicContact CD1-CE1 3.83Å; L321-F331 HydrophobicContact CG-CE1 4.47Å; I322-F331 HydrophobicContact CD1-CE2 4.07Å; I322-F331 HydrophobicContact CG1-CD2 3.93Å; I322-F331 HydrophobicContact CG1-CE2 3.47Å; I322-F331 VanDerWaalsContact CG1-CE2 3.47Å; I322-F331 HydrophobicContact CG1-CZ 4.2Å; F331-F333 PolarHBondContact O-N 3.39Å; F331-F371 AromaticContact CD2-CD1 3.94Å; F331-F371 HydrophobicContact CD2-CD1 3.94Å; F331-F371 AromaticContact CD2-CE1 3.12Å; F331-F371 HydrophobicContact CD2-CE1 3.12Å; F331-F371 AromaticContact CD2-CZ 3.63Å; F331-F371 HydrophobicContact CD2-CZ 3.63Å; F331-F371 HydrophobicContact CE2-CD1 4.23Å; F331-F371 AromaticContact CE2-CE1 3.33Å; F331-F371 HydrophobicContact CE2-CE1 3.33Å; F331-F371 HydrophobicContact CE2-CZ 4.04Å; F331-F371 HydrophobicContact CG-CE1 4.27Å
332	S	65.1	Low	73.3	Confident	56 Å²	56	69.3 Å²	69.3	39%	0.392	38%	0.382	S	S	.	.			trans	-67.7	103.9	171.2	59.9	0	0	0	0	109.2	L321	L321-S332 PolarHBondContact O-N 3.34Å; L321-S332 PolarHBondContact O-OG 2.93Å
333	F	61.4	Low	73.5	Confident	76 Å²	76	72.3 Å²	72.3	33%	0.333	40%	0.403	S	S	.	.			trans	-147.8	131.1	169.9	-117.3	-62.5	0	0	0	114.3	I172 L321 F331 E335 H336	I172-F333 HydrophobicContact CB-CD2 4.24Å; I172-F333 HydrophobicContact CB-CE2 3.65Å; I172-F333 HydrophobicContact CB-CZ 4.01Å; I172-F333 HydrophobicContact CG2-CD2 3.52Å; I172-F333 HydrophobicContact CG2-CE2 3.15Å; I172-F333 HydrophobicContact CG2-CZ 4.02Å; L321-F333 HydrophobicContact CD1-CE2 3.99Å; L321-F333 HydrophobicContact CD2-CD2 4.31Å; L321-F333 HydrophobicContact CD2-CE2 3.54Å; L321-F333 HydrophobicContact CD2-CZ 4.2Å; L321-F333 HydrophobicContact CG-CE2 4.29Å; F331-F333 PolarHBondContact O-N 3.39Å; F333-E335 PolarHBondContact O-N 2.95Å; F333-H336 AromaticContact CD1-CD2 3.27Å; F333-H336 WeakPolarHBondContact CD1-CD2 3.33Å; F333-H336 AromaticContact CD1-NE2 3.77Å; F333-H336 AromaticContact CE1-CD2 2.87Å; F333-H336 WeakPolarHBondContact CE1-CD2 3.4Å; F333-H336 AromaticContact CE1-NE2 2.92Å; F333-H336 WeakPolarHBondContact CE1-NE2 3.39Å; F333-H336 AromaticContact CZ-CD2 3.47Å; F333-H336 VanDerWaalsContact CZ-CD2 3.47Å; F333-H336 WeakPolarHBondContact CZ-CD2 3.2Å; F333-H336 AromaticContact CZ-NE2 3.47Å; F333-H336 WeakPolarHBondContact CZ-NE2 3.27Å
334	A	52.4	Low	74	Confident	77 Å²	77	69.3 Å²	69.3	64%	0.636	39%	0.387	S	S	*	.			trans	-73.3	98.2	158.7	0	0	0	0	0	108.1	K106 H336	K106-A334 PolarHBondContact NZ-O 3.49Å; A334-H336 PolarHBondContact O-N 3.35Å
335	E	56	Low	74.9	Confident	127 Å²	127	73.9 Å²	73.9	59%	0.593	40%	0.402	S	S	*	.			trans	-13.3	97.6	-178.7	-74.3	-172.4	148.2	0	0	113.2	K106 F333 T337	K106-E335 PolarHBondContact NZ-O 3.27Å; F333-E335 PolarHBondContact O-N 2.95Å; E335-T337 PolarHBondContact O-N 3.04Å
336	H	63.9	Low	75.9	Confident	25 Å²	25	77.4 Å²	77.4	12%	0.116	42%	0.416	C	S	.	.			trans	-71.5	125.7	167.9	-85.7	-73.2	0	0	0	107.9	K106 I172 F333 A334 S338	K106-H336 WeakPolarHBondContact CD-ND1 3.45Å; I172-H336 PolarHBondContact O-CD2 3.11Å; F333-H336 AromaticContact CD1-CD2 3.27Å; F333-H336 WeakPolarHBondContact CD1-CD2 3.33Å; F333-H336 AromaticContact CD1-NE2 3.77Å; F333-H336 AromaticContact CE1-CD2 2.87Å; F333-H336 WeakPolarHBondContact CE1-CD2 3.4Å; F333-H336 AromaticContact CE1-NE2 2.92Å; F333-H336 WeakPolarHBondContact CE1-NE2 3.39Å; F333-H336 AromaticContact CZ-CD2 3.47Å; F333-H336 VanDerWaalsContact CZ-CD2 3.47Å; F333-H336 WeakPolarHBondContact CZ-CD2 3.2Å; F333-H336 AromaticContact CZ-NE2 3.47Å; F333-H336 WeakPolarHBondContact CZ-NE2 3.27Å; A334-H336 PolarHBondContact O-N 3.35Å; H336-S338 PolarHBondContact O-N 2.64Å
337	T	64.4	Low	77.4	Confident	55 Å²	55	71.4 Å²	71.4	34%	0.337	38%	0.384	S	S	.	.			trans	-76.3	125.8	175.7	69.6	0	0	0	0	108.6	R113 E335 E339	R113-T337 PolarHBondContact NH1-OG1 3.46Å; E335-T337 PolarHBondContact O-N 3.04Å; T337-E339 PolarHBondContact O-N 2.85Å
338	S	73.3	Confident	78.9	Confident	73 Å²	73	63.8 Å²	63.8	51%	0.51	34%	0.343	S	S	.	.			trans	-80	7.4	166.7	53.7	0	0	0	0	112.9	H175 H336 V340	H175-S338 PolarHBondContact CD2-O 3.06Å; H175-S338 PolarHBondContact NE2-O 3.08Å; H336-S338 PolarHBondContact O-N 2.64Å; S338-V340 PolarHBondContact O-N 2.58Å
339	E	88	Confident	80.2	Confident	122 Å²	122	64.8 Å²	64.8	57%	0.57	34%	0.343	S	S	*	.			trans	-65.1	131.8	178.5	-81.6	-174.3	157.8	0	0	111.7	R113 T337	R113-E339 WeakPolarHBondContact CD-O 3.21Å; R113-E339 PolarHBondContact NH1-O 3.25Å; T337-E339 PolarHBondContact O-N 2.85Å
340	V	92.7	Very high	81.5	Confident	21 Å²	21	69.9 Å²	69.9	13%	0.127	36%	0.36	C	S	.	.			trans	-134.3	161.1	174.8	-64.9	0	0	0	0	109.4	R113 H175 S338 Q344 R345	R113-V340 HydrophobicContact CB-CG1 4.27Å; H175-V340 VanDerWaalsContact NE2-CG1 3.33Å; H175-V340 WeakPolarHBondContact NE2-CG1 3.46Å; S338-V340 PolarHBondContact O-N 2.58Å; V340-Q344 HydrophobicContact CB-CB 3.63Å; V340-Q344 HydrophobicContact CB-CG 4.38Å; V340-Q344 HydrophobicContact CG1-CB 4.43Å; V340-Q344 HydrophobicContact CG2-CB 3.67Å; V340-R345 HydrophobicContact CG2-CB 4.22Å
341	G	94.2	Very high	82.7	Confident	1 Å²	1	68.7 Å²	68.7	1%	0.01	35%	0.352	C	S	.	.			trans	-60.5	165.9	177	0	0	0	0	0	113.2	V110 N111 S343 Q344 R345	V110-G341 PolarHBondContact O-N 3.29Å; N111-G341 WeakPolarHBondContact OD1-CA 3.44Å; G341-S343 VanDerWaalsContact C-N 3.31Å; G341-S343 PolarHBondContact O-N 2.88Å; G341-Q344 PolarHBondContact O-N 3.09Å; G341-R345 WeakPolarHBondContact O-CB 3.46Å; G341-R345 PolarHBondContact O-N 3.17Å
342	E	94.9	Very high	84	Confident	171 Å²	171	68.9 Å²	68.9	80%	0.799	35%	0.351	S	S	*	.	H	α-helix	trans	-56.6	-43	-176.7	-173.9	178.2	-168.1	0	0	112.7	R345 L346	E342-R345 PolarHBondContact O-N 2.99Å; E342-L346 PolarHBondContact O-N 3.1Å
343	S	93.9	Very high	85.4	Confident	66 Å²	66	73.5 Å²	73.5	46%	0.462	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-43.1	178.5	61.4	0	0	0	0	112.3	G341 R345 L346 I347	G341-S343 VanDerWaalsContact C-N 3.31Å; G341-S343 PolarHBondContact O-N 2.88Å; S343-R345 VanDerWaalsContact C-N 3.34Å; S343-L346 PolarHBondContact O-N 3.3Å; S343-I347 WeakPolarHBondContact O-CG1 3.44Å; S343-I347 PolarHBondContact O-N 2.97Å
344	Q	95.9	Very high	87.1	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-65.4	-37.3	174.5	-70.2	89.9	-19.1	0	0	112.3	N111 R113 I115 K269 V340 G341 I347 L348	N111-Q344 PolarHBondContact O-NE2 2.78Å; R113-Q344 WeakPolarHBondContact O-CG 3.28Å; R113-Q344 PolarHBondContact O-NE2 2.96Å; I115-Q344 HydrophobicContact CD1-CB 3.97Å; I115-Q344 HydrophobicContact CD1-CG 4.37Å; I115-Q344 VanDerWaalsContact CD1-O 3.28Å; I115-Q344 WeakPolarHBondContact CD1-O 3.38Å; I115-Q344 HydrophobicContact CG1-CB 3.84Å; I115-Q344 HydrophobicContact CG1-CG 4.07Å; K269-Q344 HydrophobicContact CB-CG 4.34Å; K269-Q344 HydrophobicContact CD-CG 4.37Å; K269-Q344 HydrophobicContact CG-CG 4.45Å; V340-Q344 HydrophobicContact CB-CB 3.63Å; V340-Q344 HydrophobicContact CB-CG 4.38Å; V340-Q344 HydrophobicContact CG1-CB 4.43Å; V340-Q344 HydrophobicContact CG2-CB 3.67Å; G341-Q344 PolarHBondContact O-N 3.09Å; Q344-I347 PolarHBondContact O-N 3.41Å; Q344-L348 WeakPolarHBondContact O-CB 3.22Å; Q344-L348 PolarHBondContact O-N 3.14Å
345	R	95.4	Very high	89.1	Confident	154 Å²	154	68.1 Å²	68.1	58%	0.581	33%	0.331	S	S	*	.	H	α-helix	trans	-62.5	-44.9	177.6	179.7	-179.7	170.2	166	-0.1	111.1	V340 G341 E342 S343 I347 L348 E349	V340-R345 HydrophobicContact CG2-CB 4.22Å; G341-R345 WeakPolarHBondContact O-CB 3.46Å; G341-R345 PolarHBondContact O-N 3.17Å; E342-R345 PolarHBondContact O-N 2.99Å; S343-R345 VanDerWaalsContact C-N 3.34Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.13Å; R345-L348 PolarHBondContact O-N 2.94Å; R345-E349 HydrophobicContact CG-CG 4.49Å; R345-E349 IonicContact CZ-OE1 2.76Å; R345-E349 IonicContact NE-OE1 3.48Å; R345-E349 PolarHBondContact NE-OE1 3.47Å; R345-E349 IonicContact NH2-OE1 3.21Å; R345-E349 WeakPolarHBondContact O-CG 3.48Å; R345-E349 PolarHBondContact O-N 3.4Å
346	L	96	Very high	90.9	Very high	122 Å²	122	64.6 Å²	64.6	64%	0.639	32%	0.319	S	S	*	.	H	α-helix	trans	-61.6	-41.8	176.6	-178.3	64.2	0	0	0	111.8	E342 S343 R350	E342-L346 PolarHBondContact O-N 3.1Å; S343-L346 PolarHBondContact O-N 3.3Å; L346-R350 PolarHBondContact O-N 2.87Å; L346-R350 VanDerWaalsContact O-N 3.12Å
347	I	96.7	Very high	92.3	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-47.7	173.6	-68.9	167.9	0	0	0	110.3	I115 G266 K269 S343 Q344 R345 E349 R350 L351	I115-I347 HydrophobicContact CD1-CB 3.75Å; I115-I347 HydrophobicContact CD1-CG2 3.47Å; I115-I347 VanDerWaalsContact CD1-CG2 3.47Å; G266-I347 VanDerWaalsContact CA-CG2 3.5Å; K269-I347 HydrophobicContact CB-CD1 4.18Å; K269-I347 HydrophobicContact CG-CD1 4.02Å; S343-I347 WeakPolarHBondContact O-CG1 3.44Å; S343-I347 PolarHBondContact O-N 2.97Å; Q344-I347 PolarHBondContact O-N 3.41Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.13Å; I347-E349 PolarHBondContact O-N 2.86Å; I347-R350 WeakPolarHBondContact O-CB 3.27Å; I347-R350 PolarHBondContact O-N 2.94Å; I347-L351 HydrophobicContact CG2-CD1 3.93Å; I347-L351 HydrophobicContact CG2-CG 4.27Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.3Å; I347-L351 PolarHBondContact O-N 3.49Å
348	L	96	Very high	93.7	Very high	14 Å²	14	67.4 Å²	67.4	7%	0.073	33%	0.327	C	S	.	.	H	α-helix	trans	-62.9	-42.2	-178.8	-177.7	59.8	0	0	0	112.1	I115 H175 L176 Q344 R345 R350 L351 Y352	I115-L348 HydrophobicContact CD1-CB 4.45Å; I115-L348 HydrophobicContact CG2-CD1 3.96Å; H175-L348 HydrophobicContact CB-CD1 4.09Å; H175-L348 HydrophobicContact CB-CD2 4.12Å; L176-L348 HydrophobicContact CB-CD1 4.31Å; Q344-L348 WeakPolarHBondContact O-CB 3.22Å; Q344-L348 PolarHBondContact O-N 3.14Å; R345-L348 PolarHBondContact O-N 2.94Å; L348-R350 VanDerWaalsContact C-N 3.32Å; L348-R350 PolarHBondContact O-N 3.45Å; L348-L351 PolarHBondContact O-N 2.88Å; L348-Y352 HydrophobicContact CD1-CD1 4.25Å; L348-Y352 HydrophobicContact CD1-CE1 3.73Å; L348-Y352 HydrophobicContact CD1-CE2 4.16Å; L348-Y352 HydrophobicContact CD2-CE2 4.11Å; L348-Y352 HydrophobicContact CG-CD2 4.25Å; L348-Y352 HydrophobicContact CG-CE1 4.23Å; L348-Y352 HydrophobicContact CG-CE2 3.73Å; L348-Y352 PolarHBondContact O-N 2.52Å
349	E	95.6	Very high	94.5	Very high	92 Å²	92	66.8 Å²	66.8	43%	0.43	32%	0.317	S	S	.	.	H	α-helix	trans	-59.5	-42.8	174.9	-74.5	173.7	-175	0	0	111.3	R345 I347 Y352 E353	R345-E349 HydrophobicContact CG-CG 4.49Å; R345-E349 IonicContact CZ-OE1 2.76Å; R345-E349 IonicContact NE-OE1 3.48Å; R345-E349 PolarHBondContact NE-OE1 3.47Å; R345-E349 IonicContact NH2-OE1 3.21Å; R345-E349 WeakPolarHBondContact O-CG 3.48Å; R345-E349 PolarHBondContact O-N 3.4Å; I347-E349 PolarHBondContact O-N 2.86Å; E349-Y352 PolarHBondContact O-N 3.22Å; E349-E353 PolarHBondContact O-N 2.86Å
350	R	96	Very high	94.3	Very high	124 Å²	124	62 Å²	62	47%	0.468	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-42.6	173.7	-172	-174.9	-170.7	177.4	6.6	112.5	L346 I347 L348 Y352 E353 I354	L346-R350 PolarHBondContact O-N 2.87Å; L346-R350 VanDerWaalsContact O-N 3.12Å; I347-R350 WeakPolarHBondContact O-CB 3.27Å; I347-R350 PolarHBondContact O-N 2.94Å; L348-R350 VanDerWaalsContact C-N 3.32Å; L348-R350 PolarHBondContact O-N 3.45Å; R350-Y352 VanDerWaalsContact C-N 3.33Å; R350-E353 WeakPolarHBondContact O-CB 3.4Å; R350-E353 PolarHBondContact O-N 3.44Å; R350-I354 HydrophobicContact CG-CD1 4Å; R350-I354 WeakPolarHBondContact O-CG1 3.39Å; R350-I354 PolarHBondContact O-N 3.36Å
351	L	96.6	Very high	93.1	Very high	1 Å²	1	70 Å²	70	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-39.4	177.1	-67.3	171.9	0	0	0	111.1	L176 L265 I347 L348 E353 I354 F355	L176-L351 HydrophobicContact CD2-CB 3.89Å; L176-L351 HydrophobicContact CD2-CD1 4.34Å; L265-L351 HydrophobicContact CB-CD2 3.71Å; L265-L351 HydrophobicContact CD1-CD2 4.21Å; I347-L351 HydrophobicContact CG2-CD1 3.93Å; I347-L351 HydrophobicContact CG2-CG 4.27Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.3Å; I347-L351 PolarHBondContact O-N 3.49Å; L348-L351 PolarHBondContact O-N 2.88Å; L351-E353 VanDerWaalsContact C-N 3.33Å; L351-E353 PolarHBondContact O-N 2.95Å; L351-I354 PolarHBondContact O-N 2.79Å; L351-F355 HydrophobicContact CB-CD2 4.41Å; L351-F355 HydrophobicContact CD2-CD2 4.5Å; L351-F355 HydrophobicContact CD2-CE2 4Å; L351-F355 WeakPolarHBondContact O-CB 3.08Å; L351-F355 VanDerWaalsContact O-CD2 3.27Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 3.19Å
352	Y	96	Very high	91.4	Very high	46 Å²	46	76.1 Å²	76.1	18%	0.18	36%	0.361	C	S	.	.	H	α-helix	trans	-61.2	-41.1	173.4	-71.5	-26.5	0	0	0	112.5	H175 L176 L348 E349 R350 C356 V357 M359	H175-Y352 WeakPolarHBondContact O-CE1 2.82Å; H175-Y352 PolarHBondContact O-OH 3.28Å; L176-Y352 HydrophobicContact CB-CE1 4.45Å; L176-Y352 HydrophobicContact CD1-CD1 3.9Å; L176-Y352 HydrophobicContact CD1-CE1 3.97Å; L348-Y352 HydrophobicContact CD1-CD1 4.25Å; L348-Y352 HydrophobicContact CD1-CE1 3.73Å; L348-Y352 HydrophobicContact CD1-CE2 4.16Å; L348-Y352 HydrophobicContact CD2-CE2 4.11Å; L348-Y352 HydrophobicContact CG-CD2 4.25Å; L348-Y352 HydrophobicContact CG-CE1 4.23Å; L348-Y352 HydrophobicContact CG-CE2 3.73Å; L348-Y352 PolarHBondContact O-N 2.52Å; E349-Y352 PolarHBondContact O-N 3.22Å; R350-Y352 VanDerWaalsContact C-N 3.33Å; Y352-C356 CarbonylContact O-C 3.53Å; Y352-C356 VanDerWaalsContact O-CA 3.28Å; Y352-C356 WeakPolarHBondContact O-CA 3.25Å; Y352-C356 PolarHBondContact O-N 3.18Å; Y352-V357 HydrophobicContact CD1-CB 3.82Å; Y352-V357 HydrophobicContact CD1-CG1 3.85Å; Y352-V357 HydrophobicContact CE1-CB 4.49Å; Y352-V357 HydrophobicContact CE1-CG1 4.05Å; Y352-V357 HydrophobicContact CG-CB 4.49Å; Y352-V357 PolarHBondContact O-N 2.9Å; Y352-M359 HydrophobicContact CE1-CG 4.24Å; Y352-M359 HydrophobicContact CE1-SD 4.19Å; Y352-M359 HydrophobicContact CE2-CG 3.83Å
353	E	95.2	Very high	89.1	Confident	154 Å²	154	76.7 Å²	76.7	72%	0.72	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-53	174.4	-175.2	-179.9	-170	0	0	111.3	E349 R350 L351 F355 C356	E349-E353 PolarHBondContact O-N 2.86Å; R350-E353 WeakPolarHBondContact O-CB 3.4Å; R350-E353 PolarHBondContact O-N 3.44Å; L351-E353 VanDerWaalsContact C-N 3.33Å; L351-E353 PolarHBondContact O-N 2.95Å; E353-F355 PolarHBondContact O-N 2.93Å; E353-C356 PolarHBondContact O-N 3.01Å; E353-C356 VanDerWaalsContact O-N 3.13Å
354	I	95.5	Very high	86.8	Confident	37 Å²	37	78.4 Å²	78.4	19%	0.19	37%	0.369	C	S	.	.	H	α-helix	trans	-57.1	-53.5	-179.7	-69.8	170.4	0	0	0	110.6	L265 R350 L351 C356 L555 L559	L265-I354 HydrophobicContact CD1-CD1 4.12Å; L265-I354 HydrophobicContact CD1-CG2 4.32Å; L265-I354 HydrophobicContact CD2-CD1 3.83Å; R350-I354 HydrophobicContact CG-CD1 4Å; R350-I354 WeakPolarHBondContact O-CG1 3.39Å; R350-I354 PolarHBondContact O-N 3.36Å; L351-I354 PolarHBondContact O-N 2.79Å; I354-C356 PolarHBondContact O-N 3.08Å; I354-L555 HydrophobicContact CG2-CD1 3.73Å; I354-L555 WeakPolarHBondContact O-CD1 3.45Å; I354-L559 HydrophobicContact CG2-CD2 3.92Å
355	F	95.1	Very high	84.2	Confident	3 Å²	3	81.3 Å²	81.3	1%	0.013	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	8	-177.9	-64.4	-68.2	0	0	0	113.6	L176 W182 I262 L265 L351 E353 V357 L555 L559	L176-F355 HydrophobicContact CD2-CD2 3.86Å; L176-F355 HydrophobicContact CD2-CE2 4.33Å; W182-F355 HydrophobicContact CD2-CE1 4.08Å; W182-F355 AromaticContact CE2-CE1 3.55Å; W182-F355 HydrophobicContact CH2-CE1 4.33Å; W182-F355 HydrophobicContact CH2-CZ 4.32Å; W182-F355 AromaticContact CZ2-CE1 3.7Å; W182-F355 HydrophobicContact CZ2-CE1 3.7Å; W182-F355 AromaticContact CZ2-CZ 3.92Å; W182-F355 HydrophobicContact CZ2-CZ 3.92Å; W182-F355 AromaticContact NE1-CE1 3.72Å; I262-F355 HydrophobicContact CG1-CE2 4.48Å; I262-F355 HydrophobicContact CG1-CZ 4.22Å; L265-F355 HydrophobicContact CD1-CE2 4.25Å; L265-F355 HydrophobicContact CD1-CZ 4.21Å; L351-F355 HydrophobicContact CB-CD2 4.41Å; L351-F355 HydrophobicContact CD2-CD2 4.5Å; L351-F355 HydrophobicContact CD2-CE2 4Å; L351-F355 WeakPolarHBondContact O-CB 3.08Å; L351-F355 VanDerWaalsContact O-CD2 3.27Å; L351-F355 WeakPolarHBondContact O-CD2 3.42Å; L351-F355 PolarHBondContact O-N 3.19Å; E353-F355 PolarHBondContact O-N 2.93Å; F355-V357 HydrophobicContact CB-CG2 4.19Å; F355-V357 PolarHBondContact O-N 2.89Å; F355-L555 HydrophobicContact CD1-CD2 4.42Å; F355-L559 HydrophobicContact CE1-CD1 4.37Å
356	C	92.9	Very high	81.5	Confident	52 Å²	52	79.2 Å²	79.2	35%	0.351	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	40.4	179.2	-66.5	0	0	0	0	113.7	Y352 E353 I354 L379	Y352-C356 CarbonylContact O-C 3.53Å; Y352-C356 VanDerWaalsContact O-CA 3.28Å; Y352-C356 WeakPolarHBondContact O-CA 3.25Å; Y352-C356 PolarHBondContact O-N 3.18Å; E353-C356 PolarHBondContact O-N 3.01Å; E353-C356 VanDerWaalsContact O-N 3.13Å; I354-C356 PolarHBondContact O-N 3.08Å; C356-L379 HydrophobicContact CB-CD1 4.32Å; C356-L379 HydrophobicContact CB-CD2 3.86Å; C356-L379 HydrophobicContact CB-CG 3.86Å
357	V	93.6	Very high	78.9	Confident	10 Å²	10	77.7 Å²	77.7	6%	0.061	41%	0.407	C	S	.	.			trans	-90.8	129.3	177.8	176.4	0	0	0	0	109.7	L176 Y352 F355 M359 V375 K377	L176-V357 HydrophobicContact CD1-CB 4.24Å; L176-V357 HydrophobicContact CD1-CG1 4.43Å; L176-V357 HydrophobicContact CD1-CG2 3.72Å; Y352-V357 HydrophobicContact CD1-CB 3.82Å; Y352-V357 HydrophobicContact CD1-CG1 3.85Å; Y352-V357 HydrophobicContact CE1-CB 4.49Å; Y352-V357 HydrophobicContact CE1-CG1 4.05Å; Y352-V357 HydrophobicContact CG-CB 4.49Å; Y352-V357 PolarHBondContact O-N 2.9Å; F355-V357 HydrophobicContact CB-CG2 4.19Å; F355-V357 PolarHBondContact O-N 2.89Å; V357-M359 HydrophobicContact CG1-SD 3.99Å; V357-V375 HydrophobicContact CG1-CG2 4.03Å; V357-K377 WeakPolarHBondContact CA-O 3.31Å
358	K	93.2	Very high	76.6	Confident	130 Å²	130	80.2 Å²	80.2	57%	0.565	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.5	171.2	-63	-171.6	174.9	-170.6	0	109.9	N376 K377	K358-N376 PolarHBondContact O-N 3.09Å; K358-K377 HydrophobicContact CB-CB 3.88Å; K358-K377 HydrophobicContact CD-CB 4.32Å; K358-K377 HydrophobicContact CD-CD 4.28Å; K358-K377 HydrophobicContact CG-CB 4.09Å; K358-K377 HydrophobicContact CG-CD 4.5Å; K358-K377 PolarHBondContact N-O 3.4Å; K358-K377 PolarHBondContact O-N 2.96Å
359	M	90.4	Very high	74.5	Confident	59 Å²	59	85.1 Å²	85.1	29%	0.291	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	151.5	175.1	-59.1	-54.7	-72.1	0	0	111.2	F170 Y352 V357 R374	F170-M359 HydrophobicContact CD1-CE 3.79Å; F170-M359 HydrophobicContact CD2-CE 4.14Å; F170-M359 HydrophobicContact CE1-CE 3.91Å; F170-M359 HydrophobicContact CE1-SD 4.12Å; F170-M359 HydrophobicContact CE2-CE 4.26Å; F170-M359 HydrophobicContact CE2-SD 4.37Å; F170-M359 HydrophobicContact CG-CE 3.94Å; F170-M359 HydrophobicContact CZ-CE 4.15Å; F170-M359 HydrophobicContact CZ-SD 4.01Å; Y352-M359 HydrophobicContact CE1-CG 4.24Å; Y352-M359 HydrophobicContact CE1-SD 4.19Å; Y352-M359 HydrophobicContact CE2-CG 3.83Å; V357-M359 HydrophobicContact CG1-SD 3.99Å; M359-R374 WeakPolarHBondContact CE-O 3.39Å
360	S	84.1	Confident	73.1	Confident	21 Å²	21	86.9 Å²	86.9	15%	0.147	45%	0.452	C	S	.	.			trans	-70	141.7	171.6	61.4	0	0	0	0	111	E362 L373 R374	S360-E362 VanDerWaalsContact C-N 3.27Å; S360-E362 PolarHBondContact O-N 2.85Å; S360-L373 WeakPolarHBondContact CB-O 3.18Å; S360-L373 PolarHBondContact OG-O 2.8Å; S360-L373 VanDerWaalsContact OG-O 3.12Å; S360-R374 PolarHBondContact N-O 3.04Å; S360-R374 VanDerWaalsContact OG-C 3.3Å; S360-R374 VanDerWaalsContact OG-CA 3.3Å; S360-R374 WeakPolarHBondContact OG-CA 3.35Å; S360-R374 PolarHBondContact OG-O 3.26Å; S360-R374 VanDerWaalsContact OG-O 3.12Å
361	Q	68	Low	71.9	Confident	190 Å²	190	81.6 Å²	81.6	89%	0.888	43%	0.432	S	S	*	.			trans	-81.3	2.2	177.1	-69.9	-171.7	-14.9	0	0	114.4	K363	Q361-K363 PolarHBondContact O-N 3.14Å
362	E	58	Low	70.8	Confident	129 Å²	129	82.5 Å²	82.5	60%	0.603	44%	0.438	S	S	*	.			trans	-64.7	129.1	-176.1	-70.9	-172.1	168.6	0	0	112.3	S360 T364	S360-E362 VanDerWaalsContact C-N 3.27Å; S360-E362 PolarHBondContact O-N 2.85Å; E362-T364 PolarHBondContact O-N 3.31Å
363	K	46.3	Very low	70.2	Confident	184 Å²	184	82.2 Å²	82.2	80%	0.8	44%	0.44	S	S	*	.			trans	-63.9	123.9	-177.7	-69	-178.3	177.9	179.7	0	110.3	Q361 G365	Q361-K363 PolarHBondContact O-N 3.14Å; K363-G365 PolarHBondContact O-N 2.91Å; K363-G365 VanDerWaalsContact O-N 3.12Å
364	T	45.6	Very low	69.7	Low	102 Å²	102	76.7 Å²	76.7	63%	0.626	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	109.1	158.9	49.4	0	0	0	0	108	E362	E362-T364 PolarHBondContact O-N 3.31Å
365	G	41.6	Very low	69.2	Low	60 Å²	60	75 Å²	75	62%	0.619	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.7	-5	178.1	0	0	0	0	0	117	K363	K363-G365 PolarHBondContact O-N 2.91Å; K363-G365 VanDerWaalsContact O-N 3.12Å
366	V	38.5	Very low	68.8	Low	111 Å²	111	80 Å²	80	67%	0.673	43%	0.43	S	S	*	.	S	Bend	trans	-86.9	128	164.3	-169.1	0	0	0	0	107.2	F368	V366-F368 WeakPolarHBondContact O-CD2 3.3Å; V366-F368 PolarHBondContact O-N 2.7Å
367	A	42.2	Very low	68.6	Low	89 Å²	89	82.7 Å²	82.7	74%	0.736	44%	0.436	S	S	*	.			trans	-48.1	115.1	176.3	0	0	0	0	0	109.8	D369	A367-D369 PolarHBondContact O-N 2.9Å; A367-D369 VanDerWaalsContact O-N 3.1Å
368	F	48.9	Very low	68.5	Low	77 Å²	77	83.4 Å²	83.4	34%	0.338	44%	0.439	S	S	.	.			trans	-83.4	86.4	-173.4	-70	-77.5	0	0	0	110	V366 H370 P372	V366-F368 WeakPolarHBondContact O-CD2 3.3Å; V366-F368 PolarHBondContact O-N 2.7Å; F368-H370 PolarHBondContact O-N 3.41Å; F368-P372 HydrophobicContact CD1-CB 4.08Å; F368-P372 HydrophobicContact CD1-CG 3.76Å; F368-P372 HydrophobicContact CE1-CB 3.69Å; F368-P372 HydrophobicContact CE1-CG 3.58Å; F368-P372 HydrophobicContact CZ-CG 4.41Å
369	D	51.8	Low	68.3	Low	117 Å²	117	79.8 Å²	79.8	63%	0.626	43%	0.426	S	S	*	.	S	Bend	trans	-77	3	159.7	-72.3	-21.3	0	0	0	111.6	A367	A367-D369 PolarHBondContact O-N 2.9Å; A367-D369 VanDerWaalsContact O-N 3.1Å
370	H	64.7	Low	68.4	Low	128 Å²	128	80.5 Å²	80.5	59%	0.593	44%	0.435	S	S	*	.	S	Bend	trans	-136.9	159.1	-172.3	-60.8	-34.5	0	0	0	113	F368 P372	F368-H370 PolarHBondContact O-N 3.41Å; H370-P372 WeakPolarHBondContact O-CD 3.47Å
371	F	71.1	Confident	69	Low	13 Å²	13	80 Å²	80	6%	0.057	43%	0.431	C	S	.	.			trans	-82.3	100.1	173.2	-71.7	-103.7	0	0	0	110.7	A143 C146 F147 N151 F164 V329 F331	A143-F371 HydrophobicContact CB-CE1 3.58Å; A143-F371 HydrophobicContact CB-CE2 4.01Å; A143-F371 HydrophobicContact CB-CZ 3.21Å; C146-F371 HydrophobicContact CB-CD2 3.89Å; C146-F371 HydrophobicContact CB-CE2 4.02Å; F147-F371 HydrophobicContact CB-CB 3.86Å; F147-F371 HydrophobicContact CB-CG 4.28Å; F147-F371 HydrophobicContact CD2-CB 3.83Å; F147-F371 HydrophobicContact CG-CB 4.36Å; N151-F371 PolarHBondContact ND2-O 3.02Å; N151-F371 VanDerWaalsContact ND2-O 3.09Å; F164-F371 AromaticContact CE2-CD1 3.79Å; F164-F371 HydrophobicContact CE2-CD1 3.79Å; F164-F371 AromaticContact CE2-CE1 3.89Å; F164-F371 HydrophobicContact CE2-CE1 3.89Å; F164-F371 HydrophobicContact CZ-CE1 4.42Å; V329-F371 HydrophobicContact CB-CE2 4.34Å; V329-F371 HydrophobicContact CG1-CE2 3.89Å; V329-F371 HydrophobicContact CG1-CZ 3.93Å; V329-F371 WeakPolarHBondContact O-CE2 3.33Å; F331-F371 AromaticContact CD2-CD1 3.94Å; F331-F371 HydrophobicContact CD2-CD1 3.94Å; F331-F371 AromaticContact CD2-CE1 3.12Å; F331-F371 HydrophobicContact CD2-CE1 3.12Å; F331-F371 AromaticContact CD2-CZ 3.63Å; F331-F371 HydrophobicContact CD2-CZ 3.63Å; F331-F371 HydrophobicContact CE2-CD1 4.23Å; F331-F371 AromaticContact CE2-CE1 3.33Å; F331-F371 HydrophobicContact CE2-CE1 3.33Å; F331-F371 HydrophobicContact CE2-CZ 4.04Å; F331-F371 HydrophobicContact CG-CE1 4.27Å
372	P	74.8	Confident	70.4	Confident	20 Å²	20	71.5 Å²	71.5	13%	0.13	39%	0.39	C	S	.	.			trans	-73.3	141.6	-175.6	32	-36.6	0	0	0	111.5	F368 H370 R374	F368-P372 HydrophobicContact CD1-CB 4.08Å; F368-P372 HydrophobicContact CD1-CG 3.76Å; F368-P372 HydrophobicContact CE1-CB 3.69Å; F368-P372 HydrophobicContact CE1-CG 3.58Å; F368-P372 HydrophobicContact CZ-CG 4.41Å; H370-P372 WeakPolarHBondContact O-CD 3.47Å; P372-R374 HydrophobicContact CG-CG 4.32Å; P372-R374 PolarHBondContact O-N 3.28Å; P372-R374 VanDerWaalsContact O-N 3.16Å
373	L	83	Confident	72.2	Confident	40 Å²	40	67.7 Å²	67.7	21%	0.209	37%	0.37	C	S	.	.			trans	-70	104.8	165.4	179.2	67.8	0	0	0	109.4	F147 N151 T163 S360 V375	F147-L373 HydrophobicContact CE2-CB 4.44Å; F147-L373 HydrophobicContact CE2-CD1 4.29Å; F147-L373 HydrophobicContact CZ-CD1 3.8Å; N151-L373 WeakPolarHBondContact OD1-CB 3.38Å; N151-L373 PolarHBondContact OD1-N 3.01Å; T163-L373 HydrophobicContact CG2-CD1 3.42Å; T163-L373 VanDerWaalsContact CG2-CD1 3.42Å; S360-L373 WeakPolarHBondContact CB-O 3.18Å; S360-L373 PolarHBondContact OG-O 2.8Å; S360-L373 VanDerWaalsContact OG-O 3.12Å; L373-V375 VanDerWaalsContact CD1-O 3.28Å; L373-V375 WeakPolarHBondContact CD1-O 3.33Å
374	R	84	Confident	74.6	Confident	38 Å²	38	58.9 Å²	58.9	14%	0.143	33%	0.332	C	S	.	.			trans	-87	-13.9	-178.1	-64.7	-66	-168	-175.4	-2.8	113.9	S167 F170 M359 S360 P372	S167-R374 PolarHBondContact OG-N 3.37Å; F170-R374 HydrophobicContact CB-CB 3.93Å; F170-R374 HydrophobicContact CB-CG 4.17Å; F170-R374 HydrophobicContact CD2-CB 4Å; F170-R374 HydrophobicContact CG-CB 4.31Å; M359-R374 WeakPolarHBondContact CE-O 3.39Å; S360-R374 PolarHBondContact N-O 3.04Å; S360-R374 VanDerWaalsContact OG-C 3.3Å; S360-R374 VanDerWaalsContact OG-CA 3.3Å; S360-R374 WeakPolarHBondContact OG-CA 3.35Å; S360-R374 PolarHBondContact OG-O 3.26Å; S360-R374 VanDerWaalsContact OG-O 3.12Å; P372-R374 HydrophobicContact CG-CG 4.32Å; P372-R374 PolarHBondContact O-N 3.28Å; P372-R374 VanDerWaalsContact O-N 3.16Å
375	V	86.4	Confident	76.9	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.018	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.5	-173.5	64.1	0	0	0	0	110.6	T163 A166 F170 V357 L373 K377 M378	T163-V375 HydrophobicContact CG2-CG1 3.97Å; A166-V375 HydrophobicContact CB-CG1 4.31Å; F170-V375 HydrophobicContact CD2-CB 4.36Å; F170-V375 HydrophobicContact CD2-CG1 4.48Å; F170-V375 HydrophobicContact CE2-CB 3.79Å; F170-V375 HydrophobicContact CE2-CG1 3.98Å; F170-V375 HydrophobicContact CE2-CG2 4.31Å; V357-V375 HydrophobicContact CG1-CG2 4.03Å; L373-V375 VanDerWaalsContact CD1-O 3.28Å; L373-V375 WeakPolarHBondContact CD1-O 3.33Å; V375-K377 WeakPolarHBondContact CG2-O 3.48Å; V375-M378 HydrophobicContact CG1-CG 4.37Å; V375-M378 HydrophobicContact CG1-SD 4.01Å; V375-M378 HydrophobicContact CG2-CG 3.49Å; V375-M378 VanDerWaalsContact CG2-CG 3.49Å; V375-M378 HydrophobicContact CG2-SD 4.08Å
376	N	85.2	Confident	79.4	Confident	106 Å²	106	53.2 Å²	53.2	57%	0.567	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	-28.1	-177.2	-72.8	-13.7	0	0	0	112.5	K358	K358-N376 PolarHBondContact O-N 3.09Å
377	K	89.4	Confident	82	Confident	109 Å²	109	49.2 Å²	49.2	47%	0.474	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	135.2	-178.7	-168.9	-179.5	178	-176.6	0	110.6	V357 K358 V375	V357-K377 WeakPolarHBondContact CA-O 3.31Å; K358-K377 HydrophobicContact CB-CB 3.88Å; K358-K377 HydrophobicContact CD-CB 4.32Å; K358-K377 HydrophobicContact CD-CD 4.28Å; K358-K377 HydrophobicContact CG-CB 4.09Å; K358-K377 HydrophobicContact CG-CD 4.5Å; K358-K377 PolarHBondContact N-O 3.4Å; K358-K377 PolarHBondContact O-N 2.96Å; V375-K377 WeakPolarHBondContact CG2-O 3.48Å
378	M	91.8	Very high	84.3	Confident	26 Å²	26	45.7 Å²	45.7	13%	0.128	24%	0.241	C	C	.	.			trans	-138.3	157.5	166.1	-58.7	-179	74	0	0	108	A166 V177 V375	A166-M378 HydrophobicContact CB-CE 4.44Å; A166-M378 HydrophobicContact CB-SD 3.97Å; V177-M378 HydrophobicContact CB-CE 4.11Å; V177-M378 HydrophobicContact CG1-CE 4.1Å; V177-M378 WeakPolarHBondContact O-CE 3.46Å; V375-M378 HydrophobicContact CG1-CG 4.37Å; V375-M378 HydrophobicContact CG1-SD 4.01Å; V375-M378 HydrophobicContact CG2-CG 3.49Å; V375-M378 VanDerWaalsContact CG2-CG 3.49Å; V375-M378 HydrophobicContact CG2-SD 4.08Å
379	L	89.5	Confident	86.4	Confident	54 Å²	54	42.4 Å²	42.4	28%	0.283	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-59.4	141.3	169	-71.2	170.3	0	0	0	110.5	R162 C356 L555	R162-L379 PolarHBondContact NH1-O 2.8Å; R162-L379 PolarHBondContact NH2-O 2.82Å; R162-L379 VanDerWaalsContact NH2-O 3.1Å; C356-L379 HydrophobicContact CB-CD1 4.32Å; C356-L379 HydrophobicContact CB-CD2 3.86Å; C356-L379 HydrophobicContact CB-CG 3.86Å; L379-L555 HydrophobicContact CD1-CD2 3.28Å
380	P	92.1	Very high	88.4	Confident	74 Å²	74	36.8 Å²	36.8	48%	0.481	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-63.3	138.8	177	27.6	-33.7	0	0	0	109.6	Y382	P380-Y382 WeakPolarHBondContact O-CD1 3.24Å
381	M	95.6	Very high	89.8	Confident	11 Å²	11	30.7 Å²	30.7	5%	0.054	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-75.5	140.7	170.1	-179.5	176.7	-86.6	0	0	109.2	P122 I125 M158 D179 T181 L545	P122-M381 WeakPolarHBondContact CA-SD 3.38Å; P122-M381 HydrophobicContact CB-CE 4.3Å; P122-M381 HydrophobicContact CB-CG 3.96Å; P122-M381 HydrophobicContact CB-SD 3.61Å; P122-M381 HydrophobicContact CG-CE 4.19Å; P122-M381 HydrophobicContact CG-CG 3.9Å; P122-M381 HydrophobicContact CG-SD 3.98Å; I125-M381 HydrophobicContact CB-SD 4.29Å; I125-M381 HydrophobicContact CG1-CE 3.93Å; I125-M381 HydrophobicContact CG1-SD 4.25Å; M158-M381 HydrophobicContact CE-SD 4.14Å; D179-M381 HydrophobicContact CB-CE 3.55Å; T181-M381 HydrophobicContact CG2-CG 4.13Å; M381-L545 HydrophobicContact CB-CD2 4.35Å; M381-L545 HydrophobicContact CG-CD1 4.2Å; M381-L545 HydrophobicContact CG-CD2 4.15Å; M381-L545 HydrophobicContact SD-CD1 4.49Å
382	Y	97	Very high	91	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.039	17%	0.168	C	C	.	.			trans	-140.8	174.6	-177.4	58.9	-90.1	0	0	0	112.4	T181 W182 R184 D185 P380 H384 P546 F548 N553	T181-Y382 HydrophobicContact CG2-CD1 4.5Å; T181-Y382 VanDerWaalsContact CG2-O 3.25Å; T181-Y382 WeakPolarHBondContact CG2-O 3.47Å; T181-Y382 WeakPolarHBondContact OG1-CE1 3.5Å; W182-Y382 PolarHBondContact N-OH 2.92Å; R184-Y382 PolarHBondContact NH2-O 2.84Å; D185-Y382 VanDerWaalsContact OD1-CE2 3.23Å; D185-Y382 WeakPolarHBondContact OD1-CE2 3.33Å; D185-Y382 PolarHBondContact OD1-OH 3.38Å; D185-Y382 VanDerWaalsContact OD1-OH 3.07Å; D185-Y382 PolarHBondContact OD2-OH 2.99Å; P380-Y382 WeakPolarHBondContact O-CD1 3.24Å; Y382-H384 AromaticContact CE2-CE1 3.95Å; Y382-P546 WeakPolarHBondContact CB-O 3.32Å; Y382-F548 HydrophobicContact CD2-CB 3.59Å; Y382-F548 HydrophobicContact CD2-CD2 4.24Å; Y382-F548 AromaticContact CD2-CG 3.95Å; Y382-F548 HydrophobicContact CD2-CG 3.95Å; Y382-F548 HydrophobicContact CE2-CB 3.94Å; Y382-F548 HydrophobicContact CE2-CG 4.45Å; Y382-F548 HydrophobicContact CG-CB 4.15Å; Y382-F548 AromaticContact CG-CD2 3.94Å; Y382-F548 HydrophobicContact CG-CD2 3.94Å; Y382-F548 AromaticContact CG-CG 3.99Å; Y382-F548 HydrophobicContact CG-CG 3.99Å; Y382-N553 PolarHBondContact OH-ND2 3.03Å
383	R	96.9	Very high	92.1	Very high	49 Å²	49	29.3 Å²	29.3	19%	0.185	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-128.2	174	173.2	68.2	172.9	178.8	90	-3.8	111.3	Y542 A543 L545 P546 V547 F548	R383-Y542 HydrophobicContact CB-CE1 3.89Å; R383-Y542 HydrophobicContact CB-CE2 4.37Å; R383-Y542 WeakPolarHBondContact CD-O 3.48Å; R383-Y542 HydrophobicContact CG-CE1 4.47Å; R383-A543 PolarHBondContact NE-O 2.96Å; R383-A543 PolarHBondContact NH2-O 3.26Å; R383-L545 HydrophobicContact CB-CB 4.2Å; R383-L545 HydrophobicContact CB-CD1 4.49Å; R383-L545 HydrophobicContact CG-CB 3.95Å; R383-L545 PolarHBondContact NE-O 3.24Å; R383-P546 PolarHBondContact N-O 3.11Å; R383-V547 HydrophobicContact CG-CG2 4.25Å; R383-V547 VanDerWaalsContact NH1-CG2 3.33Å; R383-V547 WeakPolarHBondContact O-CA 3.46Å; R383-F548 PolarHBondContact O-N 3.2Å
384	H	96.5	Very high	92.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.			trans	-107.4	164.1	170.4	-61.2	94.5	0	0	0	110.3	R184 D185 L188 Y382 G390 F548	R184-H384 PolarHBondContact NE-CE1 3.46Å; R184-H384 PolarHBondContact NE-ND1 2.83Å; R184-H384 VanDerWaalsContact NE-ND1 3.11Å; D185-H384 IonicContact OD1-CE1 3.31Å; D185-H384 PolarHBondContact OD1-CE1 2.97Å; D185-H384 IonicContact OD1-NE2 3.31Å; D185-H384 PolarHBondContact OD1-NE2 3.25Å; L188-H384 HydrophobicContact CD1-CB 4.24Å; L188-H384 WeakPolarHBondContact CD1-ND1 3.3Å; Y382-H384 AromaticContact CE2-CE1 3.95Å; H384-G390 WeakPolarHBondContact CB-O 3.29Å; H384-F548 PolarHBondContact CD2-O 3.18Å
385	S	93.7	Very high	93.5	Very high	12 Å²	12	26.1 Å²	26.1	8%	0.084	15%	0.148	C	C	.	.	S	Bend	trans	-61.1	148.9	169.9	-67.5	0	0	0	0	110.7	G391 P411 V547	S385-G391 WeakPolarHBondContact O-CA 3.29Å; S385-P411 PolarHBondContact OG-O 3.41Å; S385-V547 WeakPolarHBondContact OG-CG1 3.41Å
386	G	93.9	Very high	94.1	Very high	31 Å²	31	26 Å²	26	32%	0.32	15%	0.148	S	C	.	.	S	Bend	trans	98.8	-142.1	179.5	0	0	0	0	0	113.8
387	S	93	Very high	94.7	Very high	26 Å²	26	20.9 Å²	20.9	18%	0.182	12%	0.121	C	C	.	.			trans	-69.1	157.1	-170.4	77.5	0	0	0	0	113.9	S389 G390 G391 E516	S387-S389 PolarHBondContact O-N 3.44Å; S387-S389 VanDerWaalsContact O-N 3.14Å; S387-S389 PolarHBondContact OG-N 3.38Å; S387-G390 PolarHBondContact O-N 2.81Å; S387-G391 PolarHBondContact O-N 2.73Å; S387-G391 PolarHBondContact OG-N 3.31Å; S387-E516 WeakPolarHBondContact CB-OE1 3.45Å; S387-E516 PolarHBondContact OG-OE1 2.86Å
388	G	92	Very high	95.1	Very high	15 Å²	15	17.3 Å²	17.3	16%	0.155	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-9.9	169.8	0	0	0	0	0	115.3	Q123 G390 L525	Q123-G388 PolarHBondContact NE2-O 3Å; G388-G390 VanDerWaalsContact C-N 3.31Å; G388-L525 VanDerWaalsContact CA-CD1 3.49Å
389	S	92.4	Very high	95.4	Very high	8 Å²	8	18 Å²	18	6%	0.056	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.4	176.2	-53.4	0	0	0	0	113.3	S387 M518 G523 C524	S387-S389 PolarHBondContact O-N 3.44Å; S387-S389 VanDerWaalsContact O-N 3.14Å; S387-S389 PolarHBondContact OG-N 3.38Å; S389-M518 VanDerWaalsContact CB-SD 3.58Å; S389-M518 WeakPolarHBondContact OG-CG 3.44Å; S389-G523 WeakPolarHBondContact OG-CA 3.23Å; S389-C524 PolarHBondContact OG-N 3.31Å
390	G	93.1	Very high	95.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.			trans	133	-7	-179.5	0	0	0	0	0	114.5	H384 S387 G388	H384-G390 WeakPolarHBondContact CB-O 3.29Å; S387-G390 PolarHBondContact O-N 2.81Å; G388-G390 VanDerWaalsContact C-N 3.31Å
391	G	94	Very high	96.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.072	C	C	.	.			trans	78.1	28.3	173.7	0	0	0	0	0	115.3	S385 S387 A393 A394 C395	S385-G391 WeakPolarHBondContact O-CA 3.29Å; S387-G391 PolarHBondContact O-N 2.73Å; S387-G391 PolarHBondContact OG-N 3.31Å; G391-A393 PolarHBondContact O-N 2.73Å; G391-A394 PolarHBondContact O-N 3.26Å; G391-A394 VanDerWaalsContact O-N 3.13Å; G391-C395 WeakPolarHBondContact O-CB 3.33Å; G391-C395 PolarHBondContact O-N 2.86Å; G391-C395 PolarHBondContact O-SG 3.18Å
392	Y	97.8	Very high	96.3	Very high	3 Å²	3	15.4 Å²	15.4	1%	0.012	9%	0.088	C	C	.	.	H	α-helix	trans	-57.6	-52.7	-173.2	-73.1	-93.4	0	0	0	113.1	C187 L188 I216 P254 A394 C395 I396 E516	C187-Y392 PolarHBondContact SG-OH 3.13Å; C187-Y392 VanDerWaalsContact SG-OH 3.36Å; L188-Y392 HydrophobicContact CD2-CD1 3.39Å; L188-Y392 HydrophobicContact CD2-CD2 4.23Å; L188-Y392 HydrophobicContact CD2-CE1 3.6Å; L188-Y392 HydrophobicContact CD2-CE2 4.4Å; L188-Y392 HydrophobicContact CD2-CG 3.71Å; L188-Y392 HydrophobicContact CG-CD1 4.45Å; L188-Y392 HydrophobicContact CG-CE1 4.22Å; I216-Y392 HydrophobicContact CB-CE2 4.42Å; I216-Y392 HydrophobicContact CG1-CD2 4.23Å; I216-Y392 HydrophobicContact CG1-CE2 3.85Å; I216-Y392 HydrophobicContact CG2-CD1 4.32Å; I216-Y392 HydrophobicContact CG2-CE1 3.61Å; I216-Y392 HydrophobicContact CG2-CE2 4.19Å; P254-Y392 WeakPolarHBondContact CD-OH 3.35Å; P254-Y392 WeakPolarHBondContact CG-OH 3.38Å; Y392-A394 PolarHBondContact O-N 2.74Å; Y392-C395 PolarHBondContact O-N 3.47Å; Y392-I396 HydrophobicContact CD1-CD1 4.42Å; Y392-I396 VanDerWaalsContact O-CB 3.27Å; Y392-I396 WeakPolarHBondContact O-CB 3.23Å; Y392-I396 VanDerWaalsContact O-CG1 3.26Å; Y392-I396 WeakPolarHBondContact O-CG1 3.35Å; Y392-I396 PolarHBondContact O-N 2.84Å; Y392-E516 WeakPolarHBondContact CB-OE2 3.47Å; Y392-E516 PolarHBondContact N-OE2 3.38Å; Y392-E516 VanDerWaalsContact N-OE2 3.09Å
393	A	98	Very high	96.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.5	-37	178.5	0	0	0	0	0	111.4	G391 L397 L432 F470 I472 Y514 E516	G391-A393 PolarHBondContact O-N 2.73Å; A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 PolarHBondContact O-N 3.03Å; A393-L397 VanDerWaalsContact O-N 3.07Å; A393-L432 HydrophobicContact CB-CD1 3.96Å; A393-F470 HydrophobicContact CB-CD2 4.23Å; A393-F470 WeakPolarHBondContact O-CD2 3.48Å; A393-I472 HydrophobicContact CB-CD1 4.02Å; A393-I472 HydrophobicContact CB-CG1 3.77Å; A393-Y514 HydrophobicContact CB-CE1 4.5Å; A393-E516 HydrophobicContact CB-CB 3.92Å; A393-E516 PolarHBondContact N-OE2 3.27Å
394	A	97.7	Very high	96.4	Very high	4 Å²	4	19.4 Å²	19.4	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-72.1	-49.2	-178.9	0	0	0	0	0	112.9	G391 Y392 K398 I413	G391-A394 PolarHBondContact O-N 3.26Å; G391-A394 VanDerWaalsContact O-N 3.13Å; Y392-A394 PolarHBondContact O-N 2.74Å; A394-K398 WeakPolarHBondContact O-CB 3.4Å; A394-K398 PolarHBondContact O-N 3.26Å; A394-K398 VanDerWaalsContact O-N 3.1Å; A394-I413 VanDerWaalsContact CA-CD1 3.5Å; A394-I413 HydrophobicContact CB-CD1 3.76Å; A394-I413 HydrophobicContact CB-CG1 3.85Å
395	C	97.8	Very high	96.4	Very high	7 Å²	7	22.5 Å²	22.5	5%	0.047	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-45	179.5	-69.4	0	0	0	0	112	L188 G391 Y392 K398 M399 P550	L188-C395 HydrophobicContact CD1-CB 4.41Å; L188-C395 HydrophobicContact CD2-CB 4.02Å; G391-C395 WeakPolarHBondContact O-CB 3.33Å; G391-C395 PolarHBondContact O-N 2.86Å; G391-C395 PolarHBondContact O-SG 3.18Å; Y392-C395 PolarHBondContact O-N 3.47Å; C395-K398 WeakPolarHBondContact O-CB 3.37Å; C395-K398 PolarHBondContact O-N 3.05Å; C395-M399 WeakPolarHBondContact O-CG 3.34Å; C395-M399 PolarHBondContact O-N 3.41Å; C395-P550 HydrophobicContact CB-CG 4.26Å
396	I	98.3	Very high	96.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.2	-40.1	-178.7	-64.2	167.1	0	0	0	110.5	A191 F195 Y392 K398 M399 A400 F470 Y514	A191-I396 HydrophobicContact CB-CD1 3.71Å; A191-I396 HydrophobicContact CB-CG1 4.45Å; F195-I396 HydrophobicContact CB-CG2 3.78Å; F195-I396 HydrophobicContact CD1-CG2 3.9Å; F195-I396 HydrophobicContact CG-CG2 3.9Å; Y392-I396 HydrophobicContact CD1-CD1 4.42Å; Y392-I396 VanDerWaalsContact O-CB 3.27Å; Y392-I396 WeakPolarHBondContact O-CB 3.23Å; Y392-I396 VanDerWaalsContact O-CG1 3.26Å; Y392-I396 WeakPolarHBondContact O-CG1 3.35Å; Y392-I396 PolarHBondContact O-N 2.84Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.36Å; I396-M399 PolarHBondContact O-N 3.34Å; I396-A400 WeakPolarHBondContact O-CB 3.04Å; I396-A400 PolarHBondContact O-N 3.01Å; I396-F470 HydrophobicContact CB-CE2 3.98Å; I396-F470 HydrophobicContact CG2-CE2 3.69Å; I396-F470 HydrophobicContact CG2-CZ 3.96Å; I396-Y514 HydrophobicContact CD1-CE1 4.09Å; I396-Y514 HydrophobicContact CD1-CE2 3.68Å; I396-Y514 VanDerWaalsContact CD1-CZ 3.42Å; I396-Y514 VanDerWaalsContact CD1-OH 3.24Å; I396-Y514 WeakPolarHBondContact CD1-OH 3.5Å; I396-Y514 HydrophobicContact CG2-CD2 4.46Å
397	L	98.6	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-40.8	174.5	-179.1	63.2	0	0	0	111.1	A393 A401 I413 L432 L434 L468 F470	A393-L397 WeakPolarHBondContact O-CB 3.42Å; A393-L397 PolarHBondContact O-N 3.03Å; A393-L397 VanDerWaalsContact O-N 3.07Å; L397-A401 VanDerWaalsContact O-CB 3.27Å; L397-A401 WeakPolarHBondContact O-CB 3.4Å; L397-A401 PolarHBondContact O-N 3.29Å; L397-I413 HydrophobicContact CB-CD1 4.41Å; L397-I413 HydrophobicContact CD2-CD1 3.86Å; L397-L432 HydrophobicContact CD2-CB 3.91Å; L397-L432 HydrophobicContact CD2-CD1 4.48Å; L397-L434 HydrophobicContact CD1-CB 4.18Å; L397-L434 HydrophobicContact CD1-CD2 4.42Å; L397-L468 HydrophobicContact CD1-CB 3.61Å; L397-L468 HydrophobicContact CD1-CD1 3.67Å; L397-L468 HydrophobicContact CD1-CG 4.29Å; L397-F470 HydrophobicContact CB-CD2 3.81Å; L397-F470 HydrophobicContact CB-CE2 3.76Å; L397-F470 HydrophobicContact CB-CG 4.31Å; L397-F470 HydrophobicContact CB-CZ 4.2Å; L397-F470 HydrophobicContact CD1-CD1 3.88Å; L397-F470 HydrophobicContact CD1-CD2 4.46Å; L397-F470 HydrophobicContact CD1-CE1 3.88Å; L397-F470 HydrophobicContact CD1-CE2 4.46Å; L397-F470 HydrophobicContact CD1-CG 4.2Å; L397-F470 HydrophobicContact CD1-CZ 4.17Å; L397-F470 VanDerWaalsContact N-CE2 3.34Å
398	K	98	Very high	97	Very high	33 Å²	33	32.3 Å²	32.3	14%	0.143	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-50.3	177	-169.5	-179.7	179	-160.2	0	112.2	A394 C395 I396 A400 A401 E402 L409 I413 E549	A394-K398 WeakPolarHBondContact O-CB 3.4Å; A394-K398 PolarHBondContact O-N 3.26Å; A394-K398 VanDerWaalsContact O-N 3.1Å; C395-K398 WeakPolarHBondContact O-CB 3.37Å; C395-K398 PolarHBondContact O-N 3.05Å; I396-K398 VanDerWaalsContact C-N 3.27Å; I396-K398 PolarHBondContact O-N 3.36Å; K398-A400 VanDerWaalsContact C-N 3.34Å; K398-A400 PolarHBondContact O-N 3.2Å; K398-A401 PolarHBondContact O-N 3.47Å; K398-E402 PolarHBondContact O-N 2.91Å; K398-L409 HydrophobicContact CG-CB 4.34Å; K398-I413 HydrophobicContact CB-CG2 3.86Å; K398-I413 HydrophobicContact CD-CG2 4.09Å; K398-I413 HydrophobicContact CG-CG2 4.02Å; K398-E549 IonicContact NZ-OE1 2.66Å; K398-E549 PolarHBondContact NZ-OE1 3.42Å; K398-E549 IonicContact NZ-OE2 3.39Å; K398-E549 PolarHBondContact NZ-OE2 3.39Å
399	M	98.1	Very high	97.2	Very high	40 Å²	40	32.3 Å²	32.3	20%	0.197	17%	0.165	C	C	.	.	H	α-helix	trans	-59.9	-45.4	177.5	-71	176.1	61	0	0	111.3	Y189 I196 C395 I396 A401 E402 E403	Y189-M399 HydrophobicContact CD2-CE 3.56Å; Y189-M399 HydrophobicContact CD2-SD 4.47Å; Y189-M399 HydrophobicContact CE2-CE 4.02Å; Y189-M399 HydrophobicContact CG-CE 4.4Å; Y189-M399 WeakPolarHBondContact O-CE 3.46Å; I196-M399 HydrophobicContact CD1-CB 4.42Å; C395-M399 WeakPolarHBondContact O-CG 3.34Å; C395-M399 PolarHBondContact O-N 3.41Å; I396-M399 PolarHBondContact O-N 3.34Å; M399-A401 PolarHBondContact O-N 2.88Å; M399-E402 PolarHBondContact O-N 2.88Å; M399-E403 WeakPolarHBondContact O-CB 3.27Å; M399-E403 PolarHBondContact O-N 2.88Å
400	A	98.5	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-37.8	179.2	0	0	0	0	0	112.7	F195 I196 I396 K398 E402 L404 L468	F195-A400 HydrophobicContact CD1-CB 3.77Å; F195-A400 HydrophobicContact CE1-CB 3.64Å; I196-A400 HydrophobicContact CG1-CB 4.2Å; I396-A400 WeakPolarHBondContact O-CB 3.04Å; I396-A400 PolarHBondContact O-N 3.01Å; K398-A400 VanDerWaalsContact C-N 3.34Å; K398-A400 PolarHBondContact O-N 3.2Å; A400-E402 VanDerWaalsContact C-N 3.35Å; A400-E402 PolarHBondContact O-N 2.93Å; A400-L404 HydrophobicContact CB-CD1 3.98Å; A400-L404 WeakPolarHBondContact O-CB 3.13Å; A400-L404 WeakPolarHBondContact O-CG 3.26Å; A400-L404 PolarHBondContact O-N 3.41Å; A400-L468 HydrophobicContact CB-CD1 3.72Å
401	A	98.5	Very high	97.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.6	0	0	0	0	0	111.8	L397 K398 M399 F405 S406 V407 L409 L434	L397-A401 VanDerWaalsContact O-CB 3.27Å; L397-A401 WeakPolarHBondContact O-CB 3.4Å; L397-A401 PolarHBondContact O-N 3.29Å; K398-A401 PolarHBondContact O-N 3.47Å; M399-A401 PolarHBondContact O-N 2.88Å; A401-F405 CarbonylContact O-C 3.55Å; A401-F405 PolarHBondContact O-N 2.83Å; A401-S406 PolarHBondContact O-N 3.05Å; A401-V407 CarbonylContact C-O 3.27Å; A401-V407 VanDerWaalsContact C-O 3.27Å; A401-V407 HydrophobicContact CB-CB 4.21Å; A401-V407 HydrophobicContact CB-CG1 4.21Å; A401-V407 WeakPolarHBondContact CB-O 3.32Å; A401-V407 PolarHBondContact O-N 3.12Å; A401-L409 HydrophobicContact CB-CD1 3.91Å; A401-L409 HydrophobicContact CB-CG 4Å; A401-L434 HydrophobicContact CB-CD2 3.6Å
402	E	98	Very high	97.3	Very high	85 Å²	85	42.2 Å²	42.2	40%	0.397	22%	0.218	S	C	.	.	H	α-helix	trans	-69.8	-48.4	179.3	-174.2	160.8	-164.4	0	0	111.4	K398 M399 A400 S406 V407 K408	K398-E402 PolarHBondContact O-N 2.91Å; M399-E402 PolarHBondContact O-N 2.88Å; A400-E402 VanDerWaalsContact C-N 3.35Å; A400-E402 PolarHBondContact O-N 2.93Å; E402-S406 WeakPolarHBondContact O-CA 3.41Å; E402-S406 PolarHBondContact O-N 2.64Å; E402-V407 WeakPolarHBondContact CA-O 3.18Å; E402-V407 PolarHBondContact N-O 3.25Å; E402-K408 HydrophobicContact CG-CG 4.28Å; E402-K408 WeakPolarHBondContact OE1-CE 3.36Å; E402-K408 IonicContact OE1-NZ 2.75Å; E402-K408 PolarHBondContact OE1-NZ 2.97Å
403	E	98	Very high	97.2	Very high	108 Å²	108	42.1 Å²	42.1	51%	0.505	22%	0.218	S	C	.	.	H	α-helix	trans	-76.8	-37.1	-173.4	178.6	56.4	-154.5	0	0	114	I196 K200 M399	I196-E403 HydrophobicContact CD1-CB 3.8Å; I196-E403 HydrophobicContact CD1-CG 3.91Å; I196-E403 HydrophobicContact CG1-CB 4.46Å; I196-E403 HydrophobicContact CG1-CG 4.41Å; I196-E403 HydrophobicContact CG2-CG 3.67Å; K200-E403 IonicContact NZ-OE1 3.43Å; K200-E403 PolarHBondContact NZ-OE1 2.91Å; M399-E403 WeakPolarHBondContact O-CB 3.27Å; M399-E403 PolarHBondContact O-N 2.88Å
404	L	98	Very high	97	Very high	35 Å²	35	45.8 Å²	45.8	18%	0.183	24%	0.237	C	C	.	.	H	α-helix	trans	-88.5	-25.6	-176.6	-60.4	171	0	0	0	112.8	F195 I196 F199 K200 A400	F195-L404 HydrophobicContact CE1-CD1 4.36Å; I196-L404 HydrophobicContact CG1-CG 4.39Å; I196-L404 HydrophobicContact CG2-CD2 3.91Å; I196-L404 HydrophobicContact CG2-CG 4.46Å; F199-L404 HydrophobicContact CB-CD1 4.09Å; F199-L404 HydrophobicContact CD1-CD1 3.51Å; F199-L404 HydrophobicContact CD1-CD2 4.08Å; F199-L404 HydrophobicContact CD1-CG 4.37Å; F199-L404 HydrophobicContact CE1-CD1 3.96Å; F199-L404 HydrophobicContact CG-CD1 3.82Å; K200-L404 HydrophobicContact CD-CD2 4.29Å; K200-L404 HydrophobicContact CG-CD2 3.73Å; A400-L404 HydrophobicContact CB-CD1 3.98Å; A400-L404 WeakPolarHBondContact O-CB 3.13Å; A400-L404 WeakPolarHBondContact O-CG 3.26Å; A400-L404 PolarHBondContact O-N 3.41Å
405	F	97.7	Very high	96.9	Very high	66 Å²	66	52.6 Å²	52.6	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-135.5	3.8	-169.4	-51.5	-76.7	0	0	0	114.6	F199 A401 V407 M467 L468	F199-F405 AromaticContact CE1-CZ 3.9Å; F199-F405 HydrophobicContact CE1-CZ 3.9Å; F199-F405 AromaticContact CZ-CZ 3.94Å; F199-F405 HydrophobicContact CZ-CZ 3.94Å; A401-F405 CarbonylContact O-C 3.55Å; A401-F405 PolarHBondContact O-N 2.83Å; F405-V407 HydrophobicContact CB-CB 4.44Å; F405-V407 HydrophobicContact CB-CG2 4.03Å; F405-V407 PolarHBondContact O-N 3.07Å; F405-M467 HydrophobicContact CB-CE 3.25Å; F405-M467 HydrophobicContact CD1-CE 3.39Å; F405-M467 HydrophobicContact CD2-CE 3.7Å; F405-M467 HydrophobicContact CE1-CE 4.09Å; F405-M467 HydrophobicContact CE2-CB 4.42Å; F405-M467 HydrophobicContact CE2-CE 4.36Å; F405-M467 HydrophobicContact CG-CE 3.14Å; F405-M467 HydrophobicContact CZ-CB 4.35Å; F405-L468 HydrophobicContact CD2-CD1 4.45Å; F405-L468 HydrophobicContact CE2-CD1 3.82Å; F405-L468 HydrophobicContact CE2-CD2 4.02Å; F405-L468 HydrophobicContact CE2-CG 3.67Å; F405-L468 HydrophobicContact CZ-CD2 4.36Å; F405-L468 HydrophobicContact CZ-CG 4.32Å
406	S	97.7	Very high	96.9	Very high	112 Å²	112	52.5 Å²	52.5	78%	0.783	27%	0.265	S	S	*	.			trans	56.9	27.2	-174.9	-57.8	0	0	0	0	113.4	A401 E402	A401-S406 PolarHBondContact O-N 3.05Å; E402-S406 WeakPolarHBondContact O-CA 3.41Å; E402-S406 PolarHBondContact O-N 2.64Å
407	V	97.6	Very high	96.8	Very high	15 Å²	15	56.4 Å²	56.4	9%	0.091	28%	0.283	C	S	.	.			trans	-98.4	103.6	-178.3	168.8	0	0	0	0	109.8	A401 E402 F405 L409 L434 M467	A401-V407 CarbonylContact C-O 3.27Å; A401-V407 VanDerWaalsContact C-O 3.27Å; A401-V407 HydrophobicContact CB-CB 4.21Å; A401-V407 HydrophobicContact CB-CG1 4.21Å; A401-V407 WeakPolarHBondContact CB-O 3.32Å; A401-V407 PolarHBondContact O-N 3.12Å; E402-V407 WeakPolarHBondContact CA-O 3.18Å; E402-V407 PolarHBondContact N-O 3.25Å; F405-V407 HydrophobicContact CB-CB 4.44Å; F405-V407 HydrophobicContact CB-CG2 4.03Å; F405-V407 PolarHBondContact O-N 3.07Å; V407-L409 HydrophobicContact CG1-CD2 3.63Å; V407-L409 HydrophobicContact CG1-CG 4.28Å; V407-L409 PolarHBondContact O-N 2.91Å; V407-L434 HydrophobicContact CG1-CD1 4.49Å; V407-M467 HydrophobicContact CG2-CE 4.08Å
408	K	97.1	Very high	96.8	Very high	147 Å²	147	59.2 Å²	59.2	64%	0.639	29%	0.294	S	S	*	.			trans	-81.7	110	173.1	-59.4	-164.7	-175.7	-132.1	0	110.5	E402 R418	E402-K408 HydrophobicContact CG-CG 4.28Å; E402-K408 WeakPolarHBondContact OE1-CE 3.36Å; E402-K408 IonicContact OE1-NZ 2.75Å; E402-K408 PolarHBondContact OE1-NZ 2.97Å; K408-R418 PolarHBondContact O-NH2 2.56Å
409	L	97.3	Very high	96.8	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.079	29%	0.287	C	S	.	.			trans	-83.9	159.4	175.8	-56.8	179.7	0	0	0	112	K398 A401 V407 I413 D416 V419 L434	K398-L409 HydrophobicContact CG-CB 4.34Å; A401-L409 HydrophobicContact CB-CD1 3.91Å; A401-L409 HydrophobicContact CB-CG 4Å; V407-L409 HydrophobicContact CG1-CD2 3.63Å; V407-L409 HydrophobicContact CG1-CG 4.28Å; V407-L409 PolarHBondContact O-N 2.91Å; L409-I413 HydrophobicContact CB-CG2 3.96Å; L409-I413 HydrophobicContact CD1-CB 4.29Å; L409-I413 HydrophobicContact CD1-CG2 3.81Å; L409-D416 VanDerWaalsContact CA-OD2 3.24Å; L409-D416 WeakPolarHBondContact CA-OD2 3.5Å; L409-D416 HydrophobicContact CD2-CB 4.4Å; L409-V419 HydrophobicContact CD1-CG2 4.07Å; L409-V419 HydrophobicContact CD2-CG2 4.28Å; L409-L434 HydrophobicContact CD1-CD1 4.42Å; L409-L434 HydrophobicContact CD2-CD1 3.79Å
410	K	96.1	Very high	96.8	Very high	82 Å²	82	56.1 Å²	56.1	36%	0.357	28%	0.279	S	S	.	.			trans	-56.9	154.5	169.6	-65.9	-179	-168.2	167.4	0	111.1	D412 K415 D416 E417	K410-D412 PolarHBondContact O-N 3.36Å; K410-K415 PolarHBondContact NZ-O 3.26Å; K410-D416 HydrophobicContact CB-CB 4.34Å; K410-D416 HydrophobicContact CG-CB 4.43Å; K410-D416 PolarHBondContact N-OD2 3.09Å; K410-E417 IonicContact NZ-OE2 3.47Å; K410-E417 PolarHBondContact NZ-OE2 2.92Å
411	P	91.8	Very high	96.7	Very high	90 Å²	90	58.2 Å²	58.2	58%	0.584	29%	0.292	S	S	*	.	S	Bend	trans	-55.4	-38.9	177.3	-26.9	34.8	0	0	0	113.7	S385	S385-P411 PolarHBondContact OG-O 3.41Å
412	D	93.4	Very high	96.5	Very high	45 Å²	45	59.5 Å²	59.5	24%	0.241	30%	0.297	C	S	.	.	S	Bend	trans	-97.8	94.8	167.9	-175.3	-2.3	0	0	0	108.7	K410 L414 K415	K410-D412 PolarHBondContact O-N 3.36Å; D412-L414 PolarHBondContact O-N 3.02Å; D412-L414 VanDerWaalsContact O-N 3.14Å; D412-L414 WeakPolarHBondContact OD1-CB 3.42Å; D412-L414 PolarHBondContact OD1-N 3.21Å; D412-K415 HydrophobicContact CB-CD 4.22Å; D412-K415 HydrophobicContact CB-CG 4.45Å; D412-K415 PolarHBondContact O-N 3.31Å; D412-K415 VanDerWaalsContact OD2-CD 3.25Å; D412-K415 WeakPolarHBondContact OD2-CD 3.1Å; D412-K415 WeakPolarHBondContact OD2-CE 3.23Å; D412-K415 IonicContact OD2-NZ 3.03Å; D412-K415 PolarHBondContact OD2-NZ 3.43Å
413	I	95.5	Very high	96.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.7	-176.3	64.4	143.1	0	0	0	112.9	A394 L397 K398 L409 K415 D416 V419 L432	A394-I413 VanDerWaalsContact CA-CD1 3.5Å; A394-I413 HydrophobicContact CB-CD1 3.76Å; A394-I413 HydrophobicContact CB-CG1 3.85Å; L397-I413 HydrophobicContact CB-CD1 4.41Å; L397-I413 HydrophobicContact CD2-CD1 3.86Å; K398-I413 HydrophobicContact CB-CG2 3.86Å; K398-I413 HydrophobicContact CD-CG2 4.09Å; K398-I413 HydrophobicContact CG-CG2 4.02Å; L409-I413 HydrophobicContact CB-CG2 3.96Å; L409-I413 HydrophobicContact CD1-CB 4.29Å; L409-I413 HydrophobicContact CD1-CG2 3.81Å; I413-K415 PolarHBondContact O-N 3.39Å; I413-D416 WeakPolarHBondContact O-CB 3.45Å; I413-D416 PolarHBondContact O-N 3.11Å; I413-D416 VanDerWaalsContact O-N 3.1Å; I413-V419 WeakPolarHBondContact O-CB 3.31Å; I413-L432 HydrophobicContact CD1-CD1 4.16Å
414	L	92.8	Very high	96.1	Very high	76 Å²	76	56.4 Å²	56.4	40%	0.398	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-70.4	-14.9	178.4	-55	-180	0	0	0	111.6	D412 L432	D412-L414 PolarHBondContact O-N 3.02Å; D412-L414 VanDerWaalsContact O-N 3.14Å; D412-L414 WeakPolarHBondContact OD1-CB 3.42Å; D412-L414 PolarHBondContact OD1-N 3.21Å; L414-L432 HydrophobicContact CD2-CD2 3.78Å
415	K	95.6	Very high	95.4	Very high	148 Å²	148	58.8 Å²	58.8	64%	0.643	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-105	2	174.3	-62.7	176.9	-177.3	141.4	0	113	K410 D412 I413	K410-K415 PolarHBondContact NZ-O 3.26Å; D412-K415 HydrophobicContact CB-CD 4.22Å; D412-K415 HydrophobicContact CB-CG 4.45Å; D412-K415 PolarHBondContact O-N 3.31Å; D412-K415 VanDerWaalsContact OD2-CD 3.25Å; D412-K415 WeakPolarHBondContact OD2-CD 3.1Å; D412-K415 WeakPolarHBondContact OD2-CE 3.23Å; D412-K415 IonicContact OD2-NZ 3.03Å; D412-K415 PolarHBondContact OD2-NZ 3.43Å; I413-K415 PolarHBondContact O-N 3.39Å
416	D	97.8	Very high	95	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.021	29%	0.29	C	S	.	.			trans	-72.6	135.4	174.4	-163	-69.8	0	0	0	110	L409 K410 I413 R418 V419	L409-D416 VanDerWaalsContact CA-OD2 3.24Å; L409-D416 WeakPolarHBondContact CA-OD2 3.5Å; L409-D416 HydrophobicContact CD2-CB 4.4Å; K410-D416 HydrophobicContact CB-CB 4.34Å; K410-D416 HydrophobicContact CG-CB 4.43Å; K410-D416 PolarHBondContact N-OD2 3.09Å; I413-D416 WeakPolarHBondContact O-CB 3.45Å; I413-D416 PolarHBondContact O-N 3.11Å; I413-D416 VanDerWaalsContact O-N 3.1Å; D416-R418 PolarHBondContact O-N 3.09Å; D416-R418 WeakPolarHBondContact OD1-CB 3.34Å; D416-R418 IonicContact OD1-CZ 2.72Å; D416-R418 PolarHBondContact OD1-N 2.85Å; D416-R418 IonicContact OD1-NE 2.78Å; D416-R418 PolarHBondContact OD1-NE 2.8Å; D416-R418 IonicContact OD1-NH2 2.59Å; D416-R418 PolarHBondContact OD1-NH2 3.28Å; D416-R418 IonicContact OD2-CZ 2.85Å; D416-R418 IonicContact OD2-NH2 3.03Å; D416-R418 PolarHBondContact OD2-NH2 3.3Å; D416-V419 HydrophobicContact CB-CB 4.39Å; D416-V419 HydrophobicContact CB-CG2 4.05Å; D416-V419 PolarHBondContact O-N 3.45Å
417	E	97.8	Very high	94.5	Very high	83 Å²	83	62.6 Å²	62.6	39%	0.388	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-10.1	-175	-71.7	159.8	100.5	0	0	113	K410 K438 R441	K410-E417 IonicContact NZ-OE2 3.47Å; K410-E417 PolarHBondContact NZ-OE2 2.92Å; E417-K438 HydrophobicContact CB-CB 4.15Å; E417-K438 HydrophobicContact CB-CD 3.96Å; E417-K438 HydrophobicContact CB-CG 3.95Å; E417-K438 HydrophobicContact CG-CD 4.29Å; E417-K438 WeakPolarHBondContact OE1-CD 3.5Å; E417-K438 VanDerWaalsContact OE1-CE 3.32Å; E417-K438 WeakPolarHBondContact OE1-CE 3.24Å; E417-K438 IonicContact OE1-NZ 3.54Å; E417-K438 PolarHBondContact OE1-NZ 2.81Å; E417-R441 WeakPolarHBondContact O-CB 3.18Å; E417-R441 WeakPolarHBondContact O-CD 3.35Å
418	R	98.2	Very high	94.2	Very high	59 Å²	59	63.2 Å²	63.2	22%	0.223	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-9.9	174.7	-66.5	165.4	-67.9	-165.4	0	113.4	K408 D416 L434 F435	K408-R418 PolarHBondContact O-NH2 2.56Å; D416-R418 PolarHBondContact O-N 3.09Å; D416-R418 WeakPolarHBondContact OD1-CB 3.34Å; D416-R418 IonicContact OD1-CZ 2.72Å; D416-R418 PolarHBondContact OD1-N 2.85Å; D416-R418 IonicContact OD1-NE 2.78Å; D416-R418 PolarHBondContact OD1-NE 2.8Å; D416-R418 IonicContact OD1-NH2 2.59Å; D416-R418 PolarHBondContact OD1-NH2 3.28Å; D416-R418 IonicContact OD2-CZ 2.85Å; D416-R418 IonicContact OD2-NH2 3.03Å; D416-R418 PolarHBondContact OD2-NH2 3.3Å; R418-L434 HydrophobicContact CB-CD1 4.1Å; R418-F435 PolarHBondContact O-N 2.72Å
419	V	98.4	Very high	94.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.7	-178	179.1	0	0	0	0	109.4	L409 I413 D416 I433 L434 R441	L409-V419 HydrophobicContact CD1-CG2 4.07Å; L409-V419 HydrophobicContact CD2-CG2 4.28Å; I413-V419 WeakPolarHBondContact O-CB 3.31Å; D416-V419 HydrophobicContact CB-CB 4.39Å; D416-V419 HydrophobicContact CB-CG2 4.05Å; D416-V419 PolarHBondContact O-N 3.45Å; V419-I433 CarbonylContact C-O 3.56Å; V419-I433 WeakPolarHBondContact CA-O 3.49Å; V419-L434 HydrophobicContact CG2-CD1 4.03Å; V419-R441 PolarHBondContact O-NH1 3.22Å
420	L	97.4	Very high	94	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.2	171.3	-177.5	62.2	0	0	0	109.3	R422 I433 F435 R441 E445 L448	L420-R422 HydrophobicContact CD2-CG 4.21Å; L420-R422 HydrophobicContact CG-CG 4Å; L420-I433 HydrophobicContact CB-CB 4.3Å; L420-I433 HydrophobicContact CB-CD1 4.37Å; L420-I433 HydrophobicContact CD2-CD1 4.08Å; L420-I433 HydrophobicContact CG-CD1 4.35Å; L420-I433 PolarHBondContact N-O 3.11Å; L420-I433 PolarHBondContact O-N 2.93Å; L420-F435 HydrophobicContact CB-CD2 4.48Å; L420-F435 HydrophobicContact CB-CE2 3.87Å; L420-F435 HydrophobicContact CD2-CE2 4.24Å; L420-R441 HydrophobicContact CB-CG 4.02Å; L420-E445 HydrophobicContact CD1-CB 4.15Å; L420-E445 HydrophobicContact CD1-CG 4.18Å; L420-E445 HydrophobicContact CD2-CB 4.3Å; L420-L448 HydrophobicContact CD2-CD1 3.77Å
421	T	96.3	Very high	94	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.27	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.4	174.1	-59.1	0	0	0	0	109.2	E431 L432	T421-E431 WeakPolarHBondContact CA-O 3.26Å; T421-L432 HydrophobicContact CG2-CD2 3.76Å; T421-L432 WeakPolarHBondContact OG1-CD2 3.21Å
422	R	94.8	Very high	94.3	Very high	28 Å²	28	49.4 Å²	49.4	11%	0.106	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.8	178.4	-62	178.8	65.3	-135.7	4	111.4	L420 Q430 E431 I433 L448 T455	L420-R422 HydrophobicContact CD2-CG 4.21Å; L420-R422 HydrophobicContact CG-CG 4Å; R422-Q430 CarbonylContact O-C 3.49Å; R422-Q430 WeakPolarHBondContact O-CA 3.49Å; R422-E431 HydrophobicContact CB-CG 3.82Å; R422-E431 WeakPolarHBondContact CD-OE1 3.39Å; R422-E431 IonicContact CZ-OE1 3.4Å; R422-E431 PolarHBondContact N-O 3.35Å; R422-E431 IonicContact NE-OE1 3.02Å; R422-E431 IonicContact NH1-OE1 3.57Å; R422-E431 PolarHBondContact NH1-OE1 3.12Å; R422-E431 PolarHBondContact O-N 2.85Å; R422-I433 HydrophobicContact CG-CD1 4.44Å; R422-L448 VanDerWaalsContact CD-CD1 3.45Å; R422-T455 PolarHBondContact NH1-O 3.49Å
423	Y	94.4	Very high	94.5	Very high	125 Å²	125	47.2 Å²	47.2	49%	0.49	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.5	169.1	-58.5	-69.2	0	0	0	110	R427 I429 Q430	Y423-R427 HydrophobicContact CD1-CB 4.36Å; Y423-I429 WeakPolarHBondContact CA-O 3.34Å; Y423-Q430 HydrophobicContact CD1-CG 3.79Å; Y423-Q430 HydrophobicContact CE1-CG 4.01Å
424	L	91.7	Very high	94.7	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	21%	0.21	C	C	.	.			trans	-103.1	115.4	179.7	-62.9	179.4	0	0	0	110.5	N426 I429 E431 N453 P456 F512	L424-N426 PolarHBondContact O-N 3.25Å; L424-I429 HydrophobicContact CB-CB 4.05Å; L424-I429 HydrophobicContact CB-CG2 3.77Å; L424-I429 HydrophobicContact CD1-CG2 4.04Å; L424-I429 HydrophobicContact CG-CG2 4.4Å; L424-I429 PolarHBondContact N-O 3.11Å; L424-I429 WeakPolarHBondContact O-CB 3.49Å; L424-E431 HydrophobicContact CD1-CB 4.28Å; L424-E431 HydrophobicContact CD1-CG 4.26Å; L424-E431 HydrophobicContact CD2-CG 4.32Å; L424-E431 HydrophobicContact CG-CG 4.25Å; L424-N453 VanDerWaalsContact CA-O 3.24Å; L424-N453 WeakPolarHBondContact CA-O 2.97Å; L424-N453 WeakPolarHBondContact CD2-O 3.23Å; L424-P456 HydrophobicContact CD1-CB 4.3Å; L424-P456 HydrophobicContact CD1-CG 4.11Å; L424-F512 HydrophobicContact CD1-CE1 4.31Å; L424-F512 HydrophobicContact CD1-CZ 3.77Å
425	Q	84.4	Confident	94.9	Very high	84 Å²	84	43.6 Å²	43.6	39%	0.393	19%	0.191	S	C	.	.	S	Bend	trans	63.8	-46.6	-179.3	-47	176.4	-1.6	0	0	115.5	N453 R454	Q425-N453 PolarHBondContact N-O 2.86Å; Q425-N453 VanDerWaalsContact N-O 3.16Å; Q425-R454 HydrophobicContact CG-CB 3.93Å; Q425-R454 HydrophobicContact CG-CG 3.98Å
426	N	89.1	Confident	95	Very high	60 Å²	60	41.6 Å²	41.6	32%	0.321	19%	0.188	S	C	.	.	S	Bend	trans	-147.4	176.3	178.2	65.5	64.3	0	0	0	110.2	L424 D428 I429 N478	L424-N426 PolarHBondContact O-N 3.25Å; N426-D428 VanDerWaalsContact C-N 3.29Å; N426-D428 PolarHBondContact O-N 3.16Å; N426-D428 WeakPolarHBondContact OD1-CA 3.42Å; N426-D428 WeakPolarHBondContact OD1-CB 3.37Å; N426-D428 PolarHBondContact OD1-N 2.81Å; N426-I429 VanDerWaalsContact O-O 3.12Å; N426-I429 PolarHBondContact OD1-N 2.73Å; N426-N478 PolarHBondContact ND2-OD1 2.93Å; N426-N478 PolarHBondContact OD1-ND2 3.48Å
427	R	87.3	Confident	95	Very high	198 Å²	198	42.7 Å²	42.7	75%	0.747	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.7	-175.8	-66	-176.4	-179.7	-177.3	-0.1	114.4	Y423 Q430	Y423-R427 HydrophobicContact CD1-CB 4.36Å; R427-Q430 PolarHBondContact O-NE2 2.91Å
428	D	90.7	Very high	95	Very high	28 Å²	28	43.2 Å²	43.2	15%	0.15	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.4	-177.6	-82.9	-47.5	0	0	0	113.3	N426 A473 N474 N478 N522	N426-D428 VanDerWaalsContact C-N 3.29Å; N426-D428 PolarHBondContact O-N 3.16Å; N426-D428 WeakPolarHBondContact OD1-CA 3.42Å; N426-D428 WeakPolarHBondContact OD1-CB 3.37Å; N426-D428 PolarHBondContact OD1-N 2.81Å; D428-A473 WeakPolarHBondContact O-CA 3.47Å; D428-N474 HydrophobicContact CB-CB 3.98Å; D428-N474 WeakPolarHBondContact CB-O 3.28Å; D428-N474 PolarHBondContact O-N 2.79Å; D428-N474 WeakPolarHBondContact OD1-CB 3.46Å; D428-N478 WeakPolarHBondContact CB-ND2 3.37Å; D428-N522 WeakPolarHBondContact OD1-CA 3.48Å; D428-N522 PolarHBondContact OD1-N 3.1Å
429	I	94.5	Very high	95	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.1	163.2	-48.5	178.6	0	0	0	108.3	Y423 L424 N426 I472 N478 I482	Y423-I429 WeakPolarHBondContact CA-O 3.34Å; L424-I429 HydrophobicContact CB-CB 4.05Å; L424-I429 HydrophobicContact CB-CG2 3.77Å; L424-I429 HydrophobicContact CD1-CG2 4.04Å; L424-I429 HydrophobicContact CG-CG2 4.4Å; L424-I429 PolarHBondContact N-O 3.11Å; L424-I429 WeakPolarHBondContact O-CB 3.49Å; N426-I429 VanDerWaalsContact O-O 3.12Å; N426-I429 PolarHBondContact OD1-N 2.73Å; I429-I472 CarbonylContact C-O 3.35Å; I429-I472 VanDerWaalsContact CA-O 3.26Å; I429-I472 WeakPolarHBondContact CA-O 3.09Å; I429-N478 HydrophobicContact CD1-CB 3.77Å; I429-N478 WeakPolarHBondContact CD1-OD1 3.18Å; I429-N478 HydrophobicContact CG1-CB 3.57Å; I429-I482 HydrophobicContact CG2-CD1 4.18Å
430	Q	95.8	Very high	94.9	Very high	39 Å²	39	48.7 Å²	48.7	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.3	179.2	-44.1	-177.4	13	0	0	109.9	R422 Y423 R427 G471 I472	R422-Q430 CarbonylContact O-C 3.49Å; R422-Q430 WeakPolarHBondContact O-CA 3.49Å; Y423-Q430 HydrophobicContact CD1-CG 3.79Å; Y423-Q430 HydrophobicContact CE1-CG 4.01Å; R427-Q430 PolarHBondContact O-NE2 2.91Å; Q430-G471 CarbonylContact O-C 3.57Å; Q430-G471 WeakPolarHBondContact O-CA 3.4Å; Q430-I472 HydrophobicContact CB-CB 4.13Å; Q430-I472 HydrophobicContact CG-CB 4.48Å; Q430-I472 PolarHBondContact N-O 2.94Å; Q430-I472 PolarHBondContact O-N 2.7Å
431	E	96.4	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136	163.4	61.3	-178.7	-174.8	0	0	110.5	T421 R422 L424 I433 P456 Y457 V469 F470 F512	T421-E431 WeakPolarHBondContact CA-O 3.26Å; R422-E431 HydrophobicContact CB-CG 3.82Å; R422-E431 WeakPolarHBondContact CD-OE1 3.39Å; R422-E431 IonicContact CZ-OE1 3.4Å; R422-E431 PolarHBondContact N-O 3.35Å; R422-E431 IonicContact NE-OE1 3.02Å; R422-E431 IonicContact NH1-OE1 3.57Å; R422-E431 PolarHBondContact NH1-OE1 3.12Å; R422-E431 PolarHBondContact O-N 2.85Å; L424-E431 HydrophobicContact CD1-CB 4.28Å; L424-E431 HydrophobicContact CD1-CG 4.26Å; L424-E431 HydrophobicContact CD2-CG 4.32Å; L424-E431 HydrophobicContact CG-CG 4.25Å; E431-I433 HydrophobicContact CB-CG1 4.45Å; E431-I433 HydrophobicContact CG-CD1 4.02Å; E431-I433 HydrophobicContact CG-CG1 4.08Å; E431-P456 WeakPolarHBondContact OE2-CA 3.41Å; E431-Y457 PolarHBondContact OE1-N 2.87Å; E431-Y457 PolarHBondContact OE2-N 3.3Å; E431-V469 HydrophobicContact CB-CG1 4.42Å; E431-F470 CarbonylContact C-O 3.5Å; E431-F470 VanDerWaalsContact CA-O 3.23Å; E431-F470 WeakPolarHBondContact CA-O 3.35Å; E431-F512 HydrophobicContact CB-CE1 3.78Å
432	L	97.9	Very high	95	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	115.3	170.5	-51.6	-178.6	0	0	0	107.2	A393 L397 I413 L414 T421 V469 F470 I472	A393-L432 HydrophobicContact CB-CD1 3.96Å; L397-L432 HydrophobicContact CD2-CB 3.91Å; L397-L432 HydrophobicContact CD2-CD1 4.48Å; I413-L432 HydrophobicContact CD1-CD1 4.16Å; L414-L432 HydrophobicContact CD2-CD2 3.78Å; T421-L432 HydrophobicContact CG2-CD2 3.76Å; T421-L432 WeakPolarHBondContact OG1-CD2 3.21Å; L432-V469 WeakPolarHBondContact O-CA 3.46Å; L432-F470 HydrophobicContact CB-CB 4.27Å; L432-F470 PolarHBondContact N-O 3.35Å; L432-F470 PolarHBondContact O-N 2.98Å; L432-I472 HydrophobicContact CD1-CD1 4.22Å; L432-I472 HydrophobicContact CG-CD1 4.4Å
433	I	98.2	Very high	95.1	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	117.4	-172.7	-50.9	156.8	0	0	0	108.2	V419 L420 R422 E431 F435 Y457 A466 V469	V419-I433 CarbonylContact C-O 3.56Å; V419-I433 WeakPolarHBondContact CA-O 3.49Å; L420-I433 HydrophobicContact CB-CB 4.3Å; L420-I433 HydrophobicContact CB-CD1 4.37Å; L420-I433 HydrophobicContact CD2-CD1 4.08Å; L420-I433 HydrophobicContact CG-CD1 4.35Å; L420-I433 PolarHBondContact N-O 3.11Å; L420-I433 PolarHBondContact O-N 2.93Å; R422-I433 HydrophobicContact CG-CD1 4.44Å; E431-I433 HydrophobicContact CB-CG1 4.45Å; E431-I433 HydrophobicContact CG-CD1 4.02Å; E431-I433 HydrophobicContact CG-CG1 4.08Å; I433-F435 HydrophobicContact CB-CE2 3.87Å; I433-F435 HydrophobicContact CB-CZ 4.25Å; I433-F435 HydrophobicContact CG2-CD2 4.02Å; I433-F435 HydrophobicContact CG2-CE1 4.01Å; I433-F435 HydrophobicContact CG2-CE2 3.33Å; I433-F435 HydrophobicContact CG2-CZ 3.32Å; I433-Y457 HydrophobicContact CD1-CD1 4.47Å; I433-Y457 HydrophobicContact CD1-CD2 4.2Å; I433-Y457 HydrophobicContact CD1-CG 3.84Å; I433-Y457 HydrophobicContact CG2-CD1 4.05Å; I433-Y457 HydrophobicContact CG2-CE1 4.46Å; I433-Y457 HydrophobicContact CG2-CG 4.48Å; I433-A466 HydrophobicContact CG2-CB 3.47Å; I433-A466 VanDerWaalsContact CG2-CB 3.47Å; I433-V469 HydrophobicContact CG1-CG1 4.15Å; I433-V469 HydrophobicContact CG2-CG2 4.18Å
434	L	98.5	Very high	95.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126	174.1	176.4	62.8	0	0	0	110.2	L397 A401 V407 L409 R418 V419 M467 L468	L397-L434 HydrophobicContact CD1-CB 4.18Å; L397-L434 HydrophobicContact CD1-CD2 4.42Å; A401-L434 HydrophobicContact CB-CD2 3.6Å; V407-L434 HydrophobicContact CG1-CD1 4.49Å; L409-L434 HydrophobicContact CD1-CD1 4.42Å; L409-L434 HydrophobicContact CD2-CD1 3.79Å; R418-L434 HydrophobicContact CB-CD1 4.1Å; V419-L434 HydrophobicContact CG2-CD1 4.03Å; L434-M467 HydrophobicContact CD2-CB 4.42Å; L434-M467 HydrophobicContact CG-CB 4.29Å; L434-M467 HydrophobicContact CG-SD 4.34Å; L434-M467 PolarHBondContact O-N 3.19Å; L434-L468 HydrophobicContact CB-CB 4.24Å; L434-L468 HydrophobicContact CD2-CD1 4.31Å; L434-L468 PolarHBondContact N-O 2.81Å
435	F	98.3	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.25	C	S	.	.			trans	-108.2	163.4	173.4	-64.9	-82.2	0	0	0	112	R418 L420 I433 D440 R441 A444 Y457 P464 A466 M467	R418-F435 PolarHBondContact O-N 2.72Å; L420-F435 HydrophobicContact CB-CD2 4.48Å; L420-F435 HydrophobicContact CB-CE2 3.87Å; L420-F435 HydrophobicContact CD2-CE2 4.24Å; I433-F435 HydrophobicContact CB-CE2 3.87Å; I433-F435 HydrophobicContact CB-CZ 4.25Å; I433-F435 HydrophobicContact CG2-CD2 4.02Å; I433-F435 HydrophobicContact CG2-CE1 4.01Å; I433-F435 HydrophobicContact CG2-CE2 3.33Å; I433-F435 HydrophobicContact CG2-CZ 3.32Å; F435-D440 HydrophobicContact CB-CB 3.93Å; F435-D440 HydrophobicContact CD1-CB 4.28Å; F435-D440 HydrophobicContact CG-CB 4.38Å; F435-R441 HydrophobicContact CB-CB 4.14Å; F435-R441 HydrophobicContact CD2-CB 3.64Å; F435-R441 HydrophobicContact CD2-CG 4.01Å; F435-R441 HydrophobicContact CE2-CB 4.38Å; F435-R441 HydrophobicContact CE2-CG 4.44Å; F435-R441 HydrophobicContact CG-CB 4.14Å; F435-A444 HydrophobicContact CE1-CB 3.66Å; F435-A444 HydrophobicContact CE2-CB 3.83Å; F435-A444 HydrophobicContact CZ-CB 3.23Å; F435-Y457 AromaticContact CE1-CE1 3.68Å; F435-Y457 HydrophobicContact CE1-CE1 3.68Å; F435-Y457 AromaticContact CE1-CZ 3.72Å; F435-Y457 HydrophobicContact CZ-CD1 4.35Å; F435-Y457 AromaticContact CZ-CE1 3.77Å; F435-Y457 HydrophobicContact CZ-CE1 3.77Å; F435-Y457 HydrophobicContact CZ-CE2 4.2Å; F435-Y457 AromaticContact CZ-CZ 3.68Å; F435-P464 HydrophobicContact CD1-CB 4.41Å; F435-P464 HydrophobicContact CD1-CG 3.99Å; F435-P464 HydrophobicContact CE1-CG 3.98Å; F435-A466 HydrophobicContact CE1-CB 4.27Å; F435-M467 VanDerWaalsContact C-SD 3.54Å
436	N	97.1	Very high	95.8	Very high	107 Å²	107	51.7 Å²	51.7	57%	0.572	26%	0.257	S	S	*	.	S	Bend	trans	-68	-35.1	-180	-177.2	64.8	0	0	0	112.6	M467	N436-M467 WeakPolarHBondContact CA-SD 3.17Å; N436-M467 HydrophobicContact CB-CG 4.48Å; N436-M467 HydrophobicContact CB-SD 3.96Å; N436-M467 PolarHBondContact N-SD 3.38Å
437	S	97.5	Very high	96	Very high	26 Å²	26	51.9 Å²	51.9	18%	0.182	26%	0.258	C	S	.	.	S	Bend	trans	-140.3	168	-179.1	73	0	0	0	0	112.3	E439 D440 R441	S437-E439 VanDerWaalsContact C-N 3.26Å; S437-E439 VanDerWaalsContact CB-OE2 3.28Å; S437-E439 WeakPolarHBondContact CB-OE2 3.36Å; S437-E439 PolarHBondContact OG-N 2.96Å; S437-E439 PolarHBondContact OG-OE2 2.91Å; S437-D440 PolarHBondContact O-N 3.47Å; S437-D440 PolarHBondContact OG-N 3.17Å; S437-R441 PolarHBondContact O-N 3.4Å; S437-R441 VanDerWaalsContact O-N 3.12Å
438	K	97.6	Very high	96.2	Very high	95 Å²	95	43 Å²	43	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-64.9	-35.9	173.1	171.5	179.4	179.5	172.9	0	111.1	E417 R441 S442	E417-K438 HydrophobicContact CB-CB 4.15Å; E417-K438 HydrophobicContact CB-CD 3.96Å; E417-K438 HydrophobicContact CB-CG 3.95Å; E417-K438 HydrophobicContact CG-CD 4.29Å; E417-K438 WeakPolarHBondContact OE1-CD 3.5Å; E417-K438 VanDerWaalsContact OE1-CE 3.32Å; E417-K438 WeakPolarHBondContact OE1-CE 3.24Å; E417-K438 IonicContact OE1-NZ 3.54Å; E417-K438 PolarHBondContact OE1-NZ 2.81Å; K438-R441 PolarHBondContact O-N 3.26Å; K438-S442 WeakPolarHBondContact O-CB 3.38Å; K438-S442 PolarHBondContact O-N 2.98Å; K438-S442 PolarHBondContact O-OG 3.18Å
439	E	98.1	Very high	96.2	Very high	129 Å²	129	46.6 Å²	46.6	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-64.6	-44.5	179.2	-63.6	65.5	-139.7	0	0	109.9	S437 S442 L443	S437-E439 VanDerWaalsContact C-N 3.26Å; S437-E439 VanDerWaalsContact CB-OE2 3.28Å; S437-E439 WeakPolarHBondContact CB-OE2 3.36Å; S437-E439 PolarHBondContact OG-N 2.96Å; S437-E439 PolarHBondContact OG-OE2 2.91Å; E439-S442 PolarHBondContact O-N 3.29Å; E439-L443 WeakPolarHBondContact O-CB 3.39Å; E439-L443 PolarHBondContact O-N 3.08Å
440	D	98	Very high	95.8	Very high	46 Å²	46	51 Å²	51	25%	0.246	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-47.7	175.2	-75.7	-11.3	0	0	0	111.1	F435 S437 S442 L443 A444 P464	F435-D440 HydrophobicContact CB-CB 3.93Å; F435-D440 HydrophobicContact CD1-CB 4.28Å; F435-D440 HydrophobicContact CG-CB 4.38Å; S437-D440 PolarHBondContact O-N 3.47Å; S437-D440 PolarHBondContact OG-N 3.17Å; D440-S442 VanDerWaalsContact C-N 3.29Å; D440-S442 PolarHBondContact O-N 2.69Å; D440-L443 PolarHBondContact O-N 2.96Å; D440-A444 WeakPolarHBondContact O-CB 3.33Å; D440-A444 PolarHBondContact O-N 3.1Å; D440-P464 HydrophobicContact CB-CB 3.71Å; D440-P464 HydrophobicContact CB-CG 3.63Å; D440-P464 WeakPolarHBondContact O-CG 3.48Å
441	R	97.1	Very high	95.4	Very high	48 Å²	48	52.5 Å²	52.5	18%	0.181	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-42	176.1	176.6	-101.6	146.5	102.9	-14.8	112	E417 V419 L420 F435 S437 K438 A444 E445	E417-R441 WeakPolarHBondContact O-CB 3.18Å; E417-R441 WeakPolarHBondContact O-CD 3.35Å; V419-R441 PolarHBondContact O-NH1 3.22Å; L420-R441 HydrophobicContact CB-CG 4.02Å; F435-R441 HydrophobicContact CB-CB 4.14Å; F435-R441 HydrophobicContact CD2-CB 3.64Å; F435-R441 HydrophobicContact CD2-CG 4.01Å; F435-R441 HydrophobicContact CE2-CB 4.38Å; F435-R441 HydrophobicContact CE2-CG 4.44Å; F435-R441 HydrophobicContact CG-CB 4.14Å; S437-R441 PolarHBondContact O-N 3.4Å; S437-R441 VanDerWaalsContact O-N 3.12Å; K438-R441 PolarHBondContact O-N 3.26Å; R441-A444 PolarHBondContact O-N 3.36Å; R441-E445 IonicContact CZ-OE2 2.77Å; R441-E445 IonicContact NE-OE2 2.74Å; R441-E445 PolarHBondContact NE-OE2 2.67Å; R441-E445 IonicContact NH2-OE1 3.98Å; R441-E445 PolarHBondContact NH2-OE1 2.89Å; R441-E445 IonicContact NH2-OE2 3.46Å; R441-E445 PolarHBondContact NH2-OE2 2.93Å; R441-E445 WeakPolarHBondContact O-CB 3.48Å; R441-E445 PolarHBondContact O-N 3.49Å
442	S	97.3	Very high	95	Very high	54 Å²	54	55.4 Å²	55.4	38%	0.378	31%	0.313	S	S	.	.	H	α-helix	trans	-68.1	-41	-180	-56	0	0	0	0	111.9	K438 E439 D440 E445 S446	K438-S442 WeakPolarHBondContact O-CB 3.38Å; K438-S442 PolarHBondContact O-N 2.98Å; K438-S442 PolarHBondContact O-OG 3.18Å; E439-S442 PolarHBondContact O-N 3.29Å; D440-S442 VanDerWaalsContact C-N 3.29Å; D440-S442 PolarHBondContact O-N 2.69Å; S442-E445 PolarHBondContact O-N 3.39Å; S442-S446 PolarHBondContact O-N 3.41Å
443	L	96.6	Very high	94.6	Very high	87 Å²	87	59.4 Å²	59.4	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-45.7	174.8	179.1	61.6	0	0	0	111.2	E439 D440 E445 S446 L447	E439-L443 WeakPolarHBondContact O-CB 3.39Å; E439-L443 PolarHBondContact O-N 3.08Å; D440-L443 PolarHBondContact O-N 2.96Å; L443-E445 VanDerWaalsContact C-N 3.35Å; L443-E445 PolarHBondContact O-N 3.34Å; L443-S446 PolarHBondContact O-N 3.3Å; L443-L447 HydrophobicContact CG-CD1 4.31Å; L443-L447 WeakPolarHBondContact O-CG 3.5Å; L443-L447 PolarHBondContact O-N 2.92Å
444	A	96.2	Very high	94.1	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59	-45	176.3	0	0	0	0	0	112	F435 D440 R441 L447 L448 Y457 P464	F435-A444 HydrophobicContact CE1-CB 3.66Å; F435-A444 HydrophobicContact CE2-CB 3.83Å; F435-A444 HydrophobicContact CZ-CB 3.23Å; D440-A444 WeakPolarHBondContact O-CB 3.33Å; D440-A444 PolarHBondContact O-N 3.1Å; R441-A444 PolarHBondContact O-N 3.36Å; A444-L447 PolarHBondContact O-N 3.4Å; A444-L448 WeakPolarHBondContact O-CB 3.48Å; A444-L448 WeakPolarHBondContact O-CD1 3.2Å; A444-L448 WeakPolarHBondContact O-CG 3.43Å; A444-L448 PolarHBondContact O-N 2.79Å; A444-Y457 HydrophobicContact CB-CE2 3.95Å; A444-P464 HydrophobicContact CB-CG 4.11Å
445	E	95.6	Very high	93.8	Very high	86 Å²	86	68.8 Å²	68.8	40%	0.402	37%	0.373	S	S	.	.	H	α-helix	trans	-62.2	-42.4	177.3	-176.9	168.3	-141.6	0	0	112.4	L420 R441 S442 L443 L447 L448 S449	L420-E445 HydrophobicContact CD1-CB 4.15Å; L420-E445 HydrophobicContact CD1-CG 4.18Å; L420-E445 HydrophobicContact CD2-CB 4.3Å; R441-E445 IonicContact CZ-OE2 2.77Å; R441-E445 IonicContact NE-OE2 2.74Å; R441-E445 PolarHBondContact NE-OE2 2.67Å; R441-E445 IonicContact NH2-OE1 3.98Å; R441-E445 PolarHBondContact NH2-OE1 2.89Å; R441-E445 IonicContact NH2-OE2 3.46Å; R441-E445 PolarHBondContact NH2-OE2 2.93Å; R441-E445 WeakPolarHBondContact O-CB 3.48Å; R441-E445 PolarHBondContact O-N 3.49Å; S442-E445 PolarHBondContact O-N 3.39Å; L443-E445 VanDerWaalsContact C-N 3.35Å; L443-E445 PolarHBondContact O-N 3.34Å; E445-L447 PolarHBondContact O-N 3.21Å; E445-L448 PolarHBondContact O-N 2.95Å; E445-S449 PolarHBondContact O-N 2.72Å
446	S	94.6	Very high	93.6	Very high	78 Å²	78	68.9 Å²	68.9	55%	0.545	37%	0.373	S	S	.	.	H	α-helix	trans	-59.6	-46.7	175.2	-179.9	0	0	0	0	111.9	S442 L443 L448 S449	S442-S446 PolarHBondContact O-N 3.41Å; L443-S446 PolarHBondContact O-N 3.3Å; S446-L448 VanDerWaalsContact C-N 3.35Å; S446-L448 PolarHBondContact O-N 2.85Å; S446-S449 WeakPolarHBondContact O-CB 3.5Å; S446-S449 PolarHBondContact O-N 2.51Å; S446-S449 PolarHBondContact O-OG 2.94Å
447	L	92.5	Very high	93.4	Very high	64 Å²	64	64 Å²	64	34%	0.335	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-45.1	176.9	-69.5	168.3	0	0	0	111.6	L443 A444 E445 S449 S450 Q463	L443-L447 HydrophobicContact CG-CD1 4.31Å; L443-L447 WeakPolarHBondContact O-CG 3.5Å; L443-L447 PolarHBondContact O-N 2.92Å; A444-L447 PolarHBondContact O-N 3.4Å; E445-L447 PolarHBondContact O-N 3.21Å; L447-S449 VanDerWaalsContact C-N 3.28Å; L447-S449 PolarHBondContact O-N 3.48Å; L447-S450 PolarHBondContact O-N 2.92Å; L447-S450 PolarHBondContact O-OG 3.42Å; L447-Q463 WeakPolarHBondContact CD1-O 3.21Å
448	L	92.3	Very high	93.2	Very high	12 Å²	12	66.2 Å²	66.2	6%	0.063	35%	0.351	C	S	.	.	H	α-helix	trans	-69.6	-22.6	-177	-67.8	167.5	0	0	0	113.7	L420 R422 A444 E445 S446 S450 L451 Y457 F460	L420-L448 HydrophobicContact CD2-CD1 3.77Å; R422-L448 VanDerWaalsContact CD-CD1 3.45Å; A444-L448 WeakPolarHBondContact O-CB 3.48Å; A444-L448 WeakPolarHBondContact O-CD1 3.2Å; A444-L448 WeakPolarHBondContact O-CG 3.43Å; A444-L448 PolarHBondContact O-N 2.79Å; E445-L448 PolarHBondContact O-N 2.95Å; S446-L448 VanDerWaalsContact C-N 3.35Å; S446-L448 PolarHBondContact O-N 2.85Å; L448-S450 PolarHBondContact O-N 3.31Å; L448-L451 HydrophobicContact CD2-CD1 4.23Å; L448-L451 PolarHBondContact O-N 2.86Å; L448-Y457 HydrophobicContact CD1-CD2 3.5Å; L448-Y457 VanDerWaalsContact CD1-CD2 3.5Å; L448-Y457 HydrophobicContact CD1-CE2 3.75Å; L448-Y457 HydrophobicContact CD2-CD2 3.93Å; L448-Y457 HydrophobicContact CD2-CE2 4.29Å; L448-Y457 HydrophobicContact CG-CD2 4.11Å; L448-Y457 HydrophobicContact CG-CE2 4.17Å; L448-F460 HydrophobicContact CD2-CD2 3.79Å; L448-F460 HydrophobicContact CD2-CE2 3.55Å; L448-F460 HydrophobicContact CD2-CZ 4.39Å
449	S	89.5	Confident	92.9	Very high	102 Å²	102	62.9 Å²	62.9	71%	0.713	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.8	176.4	73.8	0	0	0	0	113.2	E445 S446 L447	E445-S449 PolarHBondContact O-N 2.72Å; S446-S449 WeakPolarHBondContact O-CB 3.5Å; S446-S449 PolarHBondContact O-N 2.51Å; S446-S449 PolarHBondContact O-OG 2.94Å; L447-S449 VanDerWaalsContact C-N 3.28Å; L447-S449 PolarHBondContact O-N 3.48Å
450	S	87	Confident	92.5	Very high	98 Å²	98	59 Å²	59	69%	0.685	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.6	178.6	70.4	0	0	0	0	114.1	L447 L448	L447-S450 PolarHBondContact O-N 2.92Å; L447-S450 PolarHBondContact O-OG 3.42Å; L448-S450 PolarHBondContact O-N 3.31Å
451	L	88.2	Confident	91.8	Very high	69 Å²	69	64.2 Å²	64.2	36%	0.361	34%	0.341	S	S	.	.	S	Bend	trans	-113.2	161.6	-169.6	-63.8	173.5	0	0	0	112.4	L448 N453 F460	L448-L451 HydrophobicContact CD2-CD1 4.23Å; L448-L451 PolarHBondContact O-N 2.86Å; L451-N453 PolarHBondContact O-N 3.28Å; L451-F460 HydrophobicContact CB-CE1 3.94Å; L451-F460 HydrophobicContact CB-CZ 3.78Å; L451-F460 HydrophobicContact CD1-CD1 3.84Å; L451-F460 HydrophobicContact CD1-CD2 4.42Å; L451-F460 HydrophobicContact CD1-CE1 3.79Å; L451-F460 HydrophobicContact CD1-CE2 4.38Å; L451-F460 HydrophobicContact CD1-CG 4.15Å; L451-F460 HydrophobicContact CD1-CZ 4.05Å; L451-F460 HydrophobicContact CD2-CE1 4.22Å; L451-F460 HydrophobicContact CG-CE1 4.21Å; L451-F460 HydrophobicContact CG-CZ 4.44Å
452	S	87.3	Confident	91	Very high	61 Å²	61	64.2 Å²	64.2	43%	0.427	35%	0.347	S	S	.	.			trans	-64.6	131.1	177.4	-175.6	0	0	0	0	111.8	R454	S452-R454 PolarHBondContact O-N 3.35Å; S452-R454 PolarHBondContact OG-N 3.48Å
453	N	88.3	Confident	90.6	Very high	86 Å²	86	68 Å²	68	46%	0.46	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	2.3	170.1	71.2	-14.3	0	0	0	113.8	L424 Q425 L451	L424-N453 VanDerWaalsContact CA-O 3.24Å; L424-N453 WeakPolarHBondContact CA-O 2.97Å; L424-N453 WeakPolarHBondContact CD2-O 3.23Å; Q425-N453 PolarHBondContact N-O 2.86Å; Q425-N453 VanDerWaalsContact N-O 3.16Å; L451-N453 PolarHBondContact O-N 3.28Å
454	R	89.6	Confident	90.5	Very high	169 Å²	169	64.1 Å²	64.1	64%	0.638	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-18.7	176.4	-59.3	-170.2	176.5	-173.1	-0.4	113	Q425 S452	Q425-R454 HydrophobicContact CG-CB 3.93Å; Q425-R454 HydrophobicContact CG-CG 3.98Å; S452-R454 PolarHBondContact O-N 3.35Å; S452-R454 PolarHBondContact OG-N 3.48Å
455	T	91.2	Very high	90.4	Very high	28 Å²	28	72 Å²	72	17%	0.172	37%	0.372	C	S	.	.	S	Bend	trans	-97.6	124.3	-176.9	-71.4	0	0	0	0	109.7	R422 H459 F460 K507	R422-T455 PolarHBondContact NH1-O 3.49Å; T455-H459 HydrophobicContact CG2-CB 3.62Å; T455-F460 VanDerWaalsContact CB-CZ 3.46Å; T455-F460 HydrophobicContact CG2-CD1 4.06Å; T455-F460 HydrophobicContact CG2-CD2 3.95Å; T455-F460 HydrophobicContact CG2-CE1 3.7Å; T455-F460 HydrophobicContact CG2-CE2 3.58Å; T455-F460 HydrophobicContact CG2-CG 4.19Å; T455-F460 HydrophobicContact CG2-CZ 3.46Å; T455-F460 VanDerWaalsContact CG2-CZ 3.46Å; T455-F460 WeakPolarHBondContact O-CE2 3.35Å; T455-K507 PolarHBondContact OG1-NZ 3.13Å
456	P	93.6	Very high	90.5	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.006	36%	0.357	C	S	.	.			trans	-55	155.4	170.6	-25	32.8	0	0	0	112.8	L424 E431 R458 H459 Y485 P511 F512	L424-P456 HydrophobicContact CD1-CB 4.3Å; L424-P456 HydrophobicContact CD1-CG 4.11Å; E431-P456 WeakPolarHBondContact OE2-CA 3.41Å; P456-R458 PolarHBondContact O-N 3.45Å; P456-H459 HydrophobicContact CB-CB 4.5Å; P456-H459 VanDerWaalsContact O-CB 3.32Å; P456-H459 WeakPolarHBondContact O-CB 3.31Å; P456-H459 PolarHBondContact O-N 3.32Å; P456-Y485 HydrophobicContact CG-CE2 4.22Å; P456-P511 HydrophobicContact CB-CB 3.45Å; P456-P511 VanDerWaalsContact CB-CB 3.45Å; P456-P511 HydrophobicContact CB-CG 4.11Å; P456-P511 HydrophobicContact CG-CB 3.86Å; P456-P511 HydrophobicContact CG-CG 3.97Å; P456-F512 HydrophobicContact CB-CE1 4.34Å; P456-F512 HydrophobicContact CB-CZ 4.29Å; P456-F512 HydrophobicContact CG-CZ 4.33Å
457	Y	94.2	Very high	90.6	Very high	5 Å²	5	66 Å²	66	2%	0.02	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.1	-50.9	-175.2	-176	-107.5	0	0	0	114	E431 I433 F435 A444 L448 H459 F460 P464 A466	E431-Y457 PolarHBondContact OE1-N 2.87Å; E431-Y457 PolarHBondContact OE2-N 3.3Å; I433-Y457 HydrophobicContact CD1-CD1 4.47Å; I433-Y457 HydrophobicContact CD1-CD2 4.2Å; I433-Y457 HydrophobicContact CD1-CG 3.84Å; I433-Y457 HydrophobicContact CG2-CD1 4.05Å; I433-Y457 HydrophobicContact CG2-CE1 4.46Å; I433-Y457 HydrophobicContact CG2-CG 4.48Å; F435-Y457 AromaticContact CE1-CE1 3.68Å; F435-Y457 HydrophobicContact CE1-CE1 3.68Å; F435-Y457 AromaticContact CE1-CZ 3.72Å; F435-Y457 HydrophobicContact CZ-CD1 4.35Å; F435-Y457 AromaticContact CZ-CE1 3.77Å; F435-Y457 HydrophobicContact CZ-CE1 3.77Å; F435-Y457 HydrophobicContact CZ-CE2 4.2Å; F435-Y457 AromaticContact CZ-CZ 3.68Å; A444-Y457 HydrophobicContact CB-CE2 3.95Å; L448-Y457 HydrophobicContact CD1-CD2 3.5Å; L448-Y457 VanDerWaalsContact CD1-CD2 3.5Å; L448-Y457 HydrophobicContact CD1-CE2 3.75Å; L448-Y457 HydrophobicContact CD2-CD2 3.93Å; L448-Y457 HydrophobicContact CD2-CE2 4.29Å; L448-Y457 HydrophobicContact CG-CD2 4.11Å; L448-Y457 HydrophobicContact CG-CE2 4.17Å; Y457-H459 PolarHBondContact O-N 3.04Å; Y457-F460 PolarHBondContact O-N 3.1Å; Y457-F460 VanDerWaalsContact O-N 3.07Å; Y457-P464 PolarHBondContact OH-O 2.89Å; Y457-A466 HydrophobicContact CD1-CB 4.01Å; Y457-A466 HydrophobicContact CE1-CB 4.01Å
458	R	92.4	Very high	90.9	Very high	72 Å²	72	63 Å²	63	27%	0.272	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.8	-177	-68.7	-163.9	172.4	155.5	-4.5	114.2	P456 F460 E461 V469 P511 D513	P456-R458 PolarHBondContact O-N 3.45Å; R458-F460 VanDerWaalsContact C-N 3.28Å; R458-F460 PolarHBondContact O-N 3.38Å; R458-E461 PolarHBondContact O-N 3.47Å; R458-V469 HydrophobicContact CG-CB 4.42Å; R458-V469 HydrophobicContact CG-CG2 3.81Å; R458-V469 VanDerWaalsContact NE-CG2 3.25Å; R458-P511 VanDerWaalsContact CD-O 3.27Å; R458-P511 WeakPolarHBondContact CD-O 3.47Å; R458-D513 IonicContact CZ-OD1 3.72Å; R458-D513 VanDerWaalsContact CZ-OD1 3.31Å; R458-D513 IonicContact CZ-OD2 2.62Å; R458-D513 VanDerWaalsContact NH1-CG 3.26Å; R458-D513 IonicContact NH1-OD1 3.17Å; R458-D513 PolarHBondContact NH1-OD1 2.94Å; R458-D513 IonicContact NH1-OD2 3.2Å; R458-D513 PolarHBondContact NH1-OD2 3.14Å; R458-D513 IonicContact NH2-OD1 3.04Å; R458-D513 PolarHBondContact NH2-OD1 3.22Å; R458-D513 IonicContact NH2-OD2 3.74Å; R458-D513 PolarHBondContact NH2-OD2 3.33Å
459	H	91.5	Very high	91.1	Very high	25 Å²	25	62.4 Å²	62.4	12%	0.116	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-79	-9.7	-178.2	-80.8	-174.4	0	0	0	114	T455 P456 Y457 K507 H509	T455-H459 HydrophobicContact CG2-CB 3.62Å; P456-H459 HydrophobicContact CB-CB 4.5Å; P456-H459 VanDerWaalsContact O-CB 3.32Å; P456-H459 WeakPolarHBondContact O-CB 3.31Å; P456-H459 PolarHBondContact O-N 3.32Å; Y457-H459 PolarHBondContact O-N 3.04Å; H459-K507 HydrophobicContact CB-CD 3.43Å; H459-K507 VanDerWaalsContact CB-CD 3.43Å; H459-K507 WeakPolarHBondContact ND1-CD 3.48Å; H459-H509 PolarHBondContact NE2-O 2.98Å
460	F	89.3	Confident	91.5	Very high	49 Å²	49	57.5 Å²	57.5	22%	0.215	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-85.2	-15.6	170.8	-66	-70.3	0	0	0	112.8	L448 L451 T455 Y457 R458 T462	L448-F460 HydrophobicContact CD2-CD2 3.79Å; L448-F460 HydrophobicContact CD2-CE2 3.55Å; L448-F460 HydrophobicContact CD2-CZ 4.39Å; L451-F460 HydrophobicContact CB-CE1 3.94Å; L451-F460 HydrophobicContact CB-CZ 3.78Å; L451-F460 HydrophobicContact CD1-CD1 3.84Å; L451-F460 HydrophobicContact CD1-CD2 4.42Å; L451-F460 HydrophobicContact CD1-CE1 3.79Å; L451-F460 HydrophobicContact CD1-CE2 4.38Å; L451-F460 HydrophobicContact CD1-CG 4.15Å; L451-F460 HydrophobicContact CD1-CZ 4.05Å; L451-F460 HydrophobicContact CD2-CE1 4.22Å; L451-F460 HydrophobicContact CG-CE1 4.21Å; L451-F460 HydrophobicContact CG-CZ 4.44Å; T455-F460 VanDerWaalsContact CB-CZ 3.46Å; T455-F460 HydrophobicContact CG2-CD1 4.06Å; T455-F460 HydrophobicContact CG2-CD2 3.95Å; T455-F460 HydrophobicContact CG2-CE1 3.7Å; T455-F460 HydrophobicContact CG2-CE2 3.58Å; T455-F460 HydrophobicContact CG2-CG 4.19Å; T455-F460 HydrophobicContact CG2-CZ 3.46Å; T455-F460 VanDerWaalsContact CG2-CZ 3.46Å; T455-F460 WeakPolarHBondContact O-CE2 3.35Å; Y457-F460 PolarHBondContact O-N 3.1Å; Y457-F460 VanDerWaalsContact O-N 3.07Å; R458-F460 VanDerWaalsContact C-N 3.28Å; R458-F460 PolarHBondContact O-N 3.38Å; F460-T462 HydrophobicContact CB-CG2 3.87Å; F460-T462 PolarHBondContact O-N 3.17Å
461	E	82.7	Confident	92	Very high	154 Å²	154	52.9 Å²	52.9	72%	0.72	25%	0.253	S	S	*	.			trans	52.4	25.9	-176.3	-60.5	-179.6	-176.7	0	0	113.6	R458	R458-E461 PolarHBondContact O-N 3.47Å
462	T	81.1	Confident	92.5	Very high	48 Å²	48	50.2 Å²	50.2	29%	0.294	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-87.1	157.2	-178.6	50.3	0	0	0	0	112.3	F460	F460-T462 HydrophobicContact CB-CG2 3.87Å; F460-T462 PolarHBondContact O-N 3.17Å
463	Q	88.4	Confident	92.9	Very high	134 Å²	134	47.3 Å²	47.3	63%	0.626	22%	0.218	S	C	*	.	S	Bend	trans	-81.5	151.1	162.6	-67.4	-60	-31.2	0	0	110.6	L447 K465	L447-Q463 WeakPolarHBondContact CD1-O 3.21Å; Q463-K465 VanDerWaalsContact OE1-N 3.09Å
464	P	95.4	Very high	93.2	Very high	6 Å²	6	43.7 Å²	43.7	4%	0.039	20%	0.199	C	C	.	.	S	Bend	cis	-79.8	150.2	-0.1	27.3	-27.2	0	0	0	113.5	F435 D440 A444 Y457 A466	F435-P464 HydrophobicContact CD1-CB 4.41Å; F435-P464 HydrophobicContact CD1-CG 3.99Å; F435-P464 HydrophobicContact CE1-CG 3.98Å; D440-P464 HydrophobicContact CB-CB 3.71Å; D440-P464 HydrophobicContact CB-CG 3.63Å; D440-P464 WeakPolarHBondContact O-CG 3.48Å; A444-P464 HydrophobicContact CB-CG 4.11Å; Y457-P464 PolarHBondContact OH-O 2.89Å; P464-A466 PolarHBondContact O-N 3.05Å
465	K	94.6	Very high	93.2	Very high	164 Å²	164	36 Å²	36	71%	0.713	17%	0.172	S	C	*	.	P	Polyproline II helix	trans	-67.7	127.9	177.8	-172.3	176.2	179.9	179.3	0	111.2	Q463	Q463-K465 VanDerWaalsContact OE1-N 3.09Å
466	A	96.2	Very high	93	Very high	9 Å²	9	37.4 Å²	37.4	7%	0.074	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-70.7	135.9	170.7	0	0	0	0	0	111.4	I433 F435 Y457 P464 V469	I433-A466 HydrophobicContact CG2-CB 3.47Å; I433-A466 VanDerWaalsContact CG2-CB 3.47Å; F435-A466 HydrophobicContact CE1-CB 4.27Å; Y457-A466 HydrophobicContact CD1-CB 4.01Å; Y457-A466 HydrophobicContact CE1-CB 4.01Å; P464-A466 PolarHBondContact O-N 3.05Å; A466-V469 HydrophobicContact CB-CG2 3.47Å; A466-V469 VanDerWaalsContact CB-CG2 3.47Å
467	M	96.9	Very high	92.6	Very high	30 Å²	30	47.1 Å²	47.1	15%	0.148	21%	0.213	C	C	.	.	S	Bend	trans	-72.4	-48.3	175.3	-62.9	172.8	69.6	0	0	111.2	F405 V407 L434 F435 N436	F405-M467 HydrophobicContact CB-CE 3.25Å; F405-M467 HydrophobicContact CD1-CE 3.39Å; F405-M467 HydrophobicContact CD2-CE 3.7Å; F405-M467 HydrophobicContact CE1-CE 4.09Å; F405-M467 HydrophobicContact CE2-CB 4.42Å; F405-M467 HydrophobicContact CE2-CE 4.36Å; F405-M467 HydrophobicContact CG-CE 3.14Å; F405-M467 HydrophobicContact CZ-CB 4.35Å; V407-M467 HydrophobicContact CG2-CE 4.08Å; L434-M467 HydrophobicContact CD2-CB 4.42Å; L434-M467 HydrophobicContact CG-CB 4.29Å; L434-M467 HydrophobicContact CG-SD 4.34Å; L434-M467 PolarHBondContact O-N 3.19Å; F435-M467 VanDerWaalsContact C-SD 3.54Å; N436-M467 WeakPolarHBondContact CA-SD 3.17Å; N436-M467 HydrophobicContact CB-CG 4.48Å; N436-M467 HydrophobicContact CB-SD 3.96Å; N436-M467 PolarHBondContact N-SD 3.38Å
468	L	98.2	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.7	175.4	-68.1	175.2	0	0	0	109.5	F195 F199 L397 A400 F405 L434 F470 D513	F195-L468 HydrophobicContact CE1-CD2 4.27Å; F195-L468 HydrophobicContact CZ-CD2 4.08Å; F199-L468 HydrophobicContact CD2-CD2 3.98Å; F199-L468 HydrophobicContact CE1-CD2 4.47Å; F199-L468 HydrophobicContact CE2-CD2 3.34Å; F199-L468 HydrophobicContact CZ-CD2 3.59Å; L397-L468 HydrophobicContact CD1-CB 3.61Å; L397-L468 HydrophobicContact CD1-CD1 3.67Å; L397-L468 HydrophobicContact CD1-CG 4.29Å; A400-L468 HydrophobicContact CB-CD1 3.72Å; F405-L468 HydrophobicContact CD2-CD1 4.45Å; F405-L468 HydrophobicContact CE2-CD1 3.82Å; F405-L468 HydrophobicContact CE2-CD2 4.02Å; F405-L468 HydrophobicContact CE2-CG 3.67Å; F405-L468 HydrophobicContact CZ-CD2 4.36Å; F405-L468 HydrophobicContact CZ-CG 4.32Å; L434-L468 HydrophobicContact CB-CB 4.24Å; L434-L468 HydrophobicContact CD2-CD1 4.31Å; L434-L468 PolarHBondContact N-O 2.81Å; L468-F470 HydrophobicContact CB-CD1 4.32Å; L468-F470 HydrophobicContact CB-CE1 4.12Å; L468-F470 HydrophobicContact CD1-CE1 4.24Å; L468-F470 HydrophobicContact CD2-CE1 4.39Å; L468-F470 HydrophobicContact CG-CE1 4.49Å; L468-D513 WeakPolarHBondContact CA-OD2 3.25Å
469	V	98	Very high	92.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.4	174.2	-170.3	0	0	0	0	109	E431 L432 I433 R458 A466 F512 D513	E431-V469 HydrophobicContact CB-CG1 4.42Å; L432-V469 WeakPolarHBondContact O-CA 3.46Å; I433-V469 HydrophobicContact CG1-CG1 4.15Å; I433-V469 HydrophobicContact CG2-CG2 4.18Å; R458-V469 HydrophobicContact CG-CB 4.42Å; R458-V469 HydrophobicContact CG-CG2 3.81Å; R458-V469 VanDerWaalsContact NE-CG2 3.25Å; A466-V469 HydrophobicContact CB-CG2 3.47Å; A466-V469 VanDerWaalsContact CB-CG2 3.47Å; V469-F512 HydrophobicContact CG1-CD1 3.73Å; V469-F512 HydrophobicContact CG1-CE1 4.17Å; V469-F512 CarbonylContact O-C 3.45Å; V469-F512 VanDerWaalsContact O-CA 3.24Å; V469-F512 WeakPolarHBondContact O-CA 3.07Å; V469-D513 PolarHBondContact N-OD2 3.47Å; V469-D513 PolarHBondContact O-N 3.3Å
470	F	98.4	Very high	92.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.1	-178.3	-80.8	33.6	0	0	0	109.5	F195 A393 I396 L397 E431 L432 L468 D513 Y514	F195-F470 AromaticContact CD1-CZ 3.92Å; F195-F470 HydrophobicContact CD1-CZ 3.92Å; F195-F470 AromaticContact CE1-CE1 3.79Å; F195-F470 HydrophobicContact CE1-CE1 3.79Å; F195-F470 AromaticContact CE1-CZ 3.52Å; F195-F470 HydrophobicContact CE1-CZ 3.52Å; F195-F470 HydrophobicContact CE2-CE1 4.16Å; F195-F470 HydrophobicContact CE2-CZ 4.15Å; F195-F470 HydrophobicContact CG-CZ 4.4Å; F195-F470 AromaticContact CZ-CE1 3.52Å; F195-F470 HydrophobicContact CZ-CE1 3.52Å; F195-F470 AromaticContact CZ-CZ 3.64Å; F195-F470 HydrophobicContact CZ-CZ 3.64Å; A393-F470 HydrophobicContact CB-CD2 4.23Å; A393-F470 WeakPolarHBondContact O-CD2 3.48Å; I396-F470 HydrophobicContact CB-CE2 3.98Å; I396-F470 HydrophobicContact CG2-CE2 3.69Å; I396-F470 HydrophobicContact CG2-CZ 3.96Å; L397-F470 HydrophobicContact CB-CD2 3.81Å; L397-F470 HydrophobicContact CB-CE2 3.76Å; L397-F470 HydrophobicContact CB-CG 4.31Å; L397-F470 HydrophobicContact CB-CZ 4.2Å; L397-F470 HydrophobicContact CD1-CD1 3.88Å; L397-F470 HydrophobicContact CD1-CD2 4.46Å; L397-F470 HydrophobicContact CD1-CE1 3.88Å; L397-F470 HydrophobicContact CD1-CE2 4.46Å; L397-F470 HydrophobicContact CD1-CG 4.2Å; L397-F470 HydrophobicContact CD1-CZ 4.17Å; L397-F470 VanDerWaalsContact N-CE2 3.34Å; E431-F470 CarbonylContact C-O 3.5Å; E431-F470 VanDerWaalsContact CA-O 3.23Å; E431-F470 WeakPolarHBondContact CA-O 3.35Å; L432-F470 HydrophobicContact CB-CB 4.27Å; L432-F470 PolarHBondContact N-O 3.35Å; L432-F470 PolarHBondContact O-N 2.98Å; L468-F470 HydrophobicContact CB-CD1 4.32Å; L468-F470 HydrophobicContact CB-CE1 4.12Å; L468-F470 HydrophobicContact CD1-CE1 4.24Å; L468-F470 HydrophobicContact CD2-CE1 4.39Å; L468-F470 HydrophobicContact CG-CE1 4.49Å; F470-D513 HydrophobicContact CE1-CB 4.35Å; F470-Y514 CarbonylContact C-O 3.57Å; F470-Y514 WeakPolarHBondContact CA-O 3.3Å; F470-Y514 AromaticContact CD2-CD1 3.55Å; F470-Y514 HydrophobicContact CD2-CD1 3.55Å; F470-Y514 AromaticContact CD2-CG 3.91Å; F470-Y514 HydrophobicContact CD2-CG 3.91Å; F470-Y514 AromaticContact CE2-CD1 3.72Å; F470-Y514 HydrophobicContact CE2-CD1 3.72Å; F470-Y514 AromaticContact CE2-CG 3.73Å; F470-Y514 HydrophobicContact CE2-CG 3.73Å; F470-Y514 HydrophobicContact CG-CD1 4.28Å; F470-Y514 HydrophobicContact CG-CG 4.48Å; F470-Y514 HydrophobicContact CZ-CG 4.17Å
471	G	97.5	Very high	92	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	148.2	172.6	0	0	0	0	0	111.8	Q430 Y514 V515 E516	Q430-G471 CarbonylContact O-C 3.57Å; Q430-G471 WeakPolarHBondContact O-CA 3.4Å; G471-Y514 PolarHBondContact N-O 2.77Å; G471-V515 CarbonylContact O-C 3.51Å; G471-V515 VanDerWaalsContact O-CA 3.31Å; G471-V515 WeakPolarHBondContact O-CA 3.47Å; G471-E516 PolarHBondContact O-N 3.35Å
472	I	97.5	Very high	92.4	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.062	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.6	162.1	-55.7	176.6	0	0	0	106.5	A393 I429 Q430 L432 E516	A393-I472 HydrophobicContact CB-CD1 4.02Å; A393-I472 HydrophobicContact CB-CG1 3.77Å; I429-I472 CarbonylContact C-O 3.35Å; I429-I472 VanDerWaalsContact CA-O 3.26Å; I429-I472 WeakPolarHBondContact CA-O 3.09Å; Q430-I472 HydrophobicContact CB-CB 4.13Å; Q430-I472 HydrophobicContact CG-CB 4.48Å; Q430-I472 PolarHBondContact N-O 2.94Å; Q430-I472 PolarHBondContact O-N 2.7Å; L432-I472 HydrophobicContact CD1-CD1 4.22Å; L432-I472 HydrophobicContact CG-CD1 4.4Å; I472-E516 CarbonylContact C-O 3.56Å; I472-E516 WeakPolarHBondContact CA-O 3.35Å; I472-E516 HydrophobicContact CG1-CB 4.29Å; I472-E516 HydrophobicContact CG2-CB 4.49Å
473	A	95.9	Very high	92.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	108.2	-180	0	0	0	0	0	111.3	D428 I482 V515 E516 V517 M518	D428-A473 WeakPolarHBondContact O-CA 3.47Å; A473-I482 HydrophobicContact CB-CG1 3.8Å; A473-V515 HydrophobicContact CB-CG1 4.46Å; A473-E516 PolarHBondContact N-O 2.97Å; A473-V517 WeakPolarHBondContact O-CA 3.05Å; A473-M518 PolarHBondContact O-N 3.27Å; A473-M518 VanDerWaalsContact O-N 3.08Å
474	N	94.1	Very high	92.8	Very high	10 Å²	10	35 Å²	35	5%	0.053	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141	177	-62.2	-34.3	0	0	0	110.6	D428 N478 M518	D428-N474 HydrophobicContact CB-CB 3.98Å; D428-N474 WeakPolarHBondContact CB-O 3.28Å; D428-N474 PolarHBondContact O-N 2.79Å; D428-N474 WeakPolarHBondContact OD1-CB 3.46Å; N474-N478 VanDerWaalsContact O-CB 3.3Å; N474-N478 WeakPolarHBondContact O-CB 3.49Å; N474-N478 PolarHBondContact O-ND2 3.27Å; N474-M518 CarbonylContact C-O 3.08Å; N474-M518 VanDerWaalsContact CA-O 3.27Å; N474-M518 WeakPolarHBondContact CA-O 3.26Å; N474-M518 VanDerWaalsContact OD1-CB 3.3Å; N474-M518 WeakPolarHBondContact OD1-CB 3.49Å; N474-M518 VanDerWaalsContact OD1-CG 3.22Å; N474-M518 WeakPolarHBondContact OD1-CG 3.47Å
475	G	90	Very high	92.5	Very high	8 Å²	8	37 Å²	37	8%	0.082	17%	0.167	C	C	.	.	S	Bend	trans	87.2	133.1	-180	0	0	0	0	0	113.7	R477 N478 I479 M518 A519 C520	G475-R477 VanDerWaalsContact C-N 3.3Å; G475-R477 PolarHBondContact O-N 3.47Å; G475-R477 VanDerWaalsContact O-N 3.12Å; G475-N478 WeakPolarHBondContact O-CB 3.26Å; G475-N478 PolarHBondContact O-N 2.81Å; G475-I479 WeakPolarHBondContact O-CG1 3.44Å; G475-I479 PolarHBondContact O-N 3.45Å; G475-M518 PolarHBondContact N-O 3.46Å; G475-A519 VanDerWaalsContact CA-O 3.23Å; G475-A519 WeakPolarHBondContact CA-O 3.29Å; G475-C520 PolarHBondContact N-O 3.46Å
476	F	86.7	Confident	92.2	Very high	58 Å²	58	29.3 Å²	29.3	25%	0.254	13%	0.133	S	C	.	.	H	α-helix	trans	-51.8	-39.7	-175.5	-82.8	-65.3	0	0	0	115.5	Y223 N478 I479 Q480 A519	Y223-F476 HydrophobicContact CG-CE1 4.35Å; F476-N478 VanDerWaalsContact C-N 3.28Å; F476-N478 PolarHBondContact O-N 3.07Å; F476-I479 HydrophobicContact CD1-CD1 4.37Å; F476-I479 WeakPolarHBondContact O-CB 3.32Å; F476-I479 PolarHBondContact O-N 3.33Å; F476-Q480 WeakPolarHBondContact O-CB 3.35Å; F476-Q480 VanDerWaalsContact O-CG 3.28Å; F476-Q480 WeakPolarHBondContact O-CG 3.24Å; F476-Q480 PolarHBondContact O-N 3.46Å; F476-A519 HydrophobicContact CD2-CB 4.3Å; F476-A519 HydrophobicContact CE1-CB 4.08Å; F476-A519 HydrophobicContact CE2-CB 3.72Å; F476-A519 HydrophobicContact CZ-CB 3.59Å; F476-A519 PolarHBondContact N-O 3Å
477	R	86.1	Confident	91.7	Very high	205 Å²	205	31.5 Å²	31.5	77%	0.774	14%	0.14	S	C	*	.	H	α-helix	trans	-61.8	-37.8	178	-173.8	175.2	-176.8	167.3	2.2	112.5	G475 T481	G475-R477 VanDerWaalsContact C-N 3.3Å; G475-R477 PolarHBondContact O-N 3.47Å; G475-R477 VanDerWaalsContact O-N 3.12Å; R477-T481 PolarHBondContact O-N 3.13Å; R477-T481 PolarHBondContact O-OG1 2.88Å
478	N	89.6	Confident	91.1	Very high	13 Å²	13	34.5 Å²	34.5	7%	0.07	15%	0.152	C	C	.	.	H	α-helix	trans	-74	-41.7	177.7	-71	-21.8	0	0	0	110.7	N426 D428 I429 N474 G475 F476 Q480 T481 I482	N426-N478 PolarHBondContact ND2-OD1 2.93Å; N426-N478 PolarHBondContact OD1-ND2 3.48Å; D428-N478 WeakPolarHBondContact CB-ND2 3.37Å; I429-N478 HydrophobicContact CD1-CB 3.77Å; I429-N478 WeakPolarHBondContact CD1-OD1 3.18Å; I429-N478 HydrophobicContact CG1-CB 3.57Å; N474-N478 VanDerWaalsContact O-CB 3.3Å; N474-N478 WeakPolarHBondContact O-CB 3.49Å; N474-N478 PolarHBondContact O-ND2 3.27Å; G475-N478 WeakPolarHBondContact O-CB 3.26Å; G475-N478 PolarHBondContact O-N 2.81Å; F476-N478 VanDerWaalsContact C-N 3.28Å; F476-N478 PolarHBondContact O-N 3.07Å; N478-Q480 VanDerWaalsContact C-N 3.35Å; N478-Q480 PolarHBondContact O-N 2.86Å; N478-T481 VanDerWaalsContact O-CB 3.31Å; N478-T481 WeakPolarHBondContact O-CB 3.24Å; N478-T481 PolarHBondContact O-N 3.13Å; N478-T481 VanDerWaalsContact O-N 3.09Å; N478-I482 WeakPolarHBondContact O-CG1 3.26Å; N478-I482 PolarHBondContact O-N 3.12Å
479	I	89.9	Confident	90.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-54.7	-51.2	172.2	-64	178.7	0	0	0	110.6	W220 Y223 G475 F476 T481 I482 V483 V517	W220-I479 HydrophobicContact CE3-CG2 3.39Å; W220-I479 HydrophobicContact CH2-CG2 4.37Å; W220-I479 HydrophobicContact CZ3-CG2 3.29Å; Y223-I479 HydrophobicContact CD1-CG2 4.27Å; Y223-I479 HydrophobicContact CE1-CG2 4.23Å; G475-I479 WeakPolarHBondContact O-CG1 3.44Å; G475-I479 PolarHBondContact O-N 3.45Å; F476-I479 HydrophobicContact CD1-CD1 4.37Å; F476-I479 WeakPolarHBondContact O-CB 3.32Å; F476-I479 PolarHBondContact O-N 3.33Å; I479-T481 PolarHBondContact O-N 2.65Å; I479-I482 PolarHBondContact O-N 2.88Å; I479-I482 VanDerWaalsContact O-N 3.11Å; I479-V483 HydrophobicContact CG2-CG2 4.26Å; I479-V483 WeakPolarHBondContact O-CG2 3.36Å; I479-V483 PolarHBondContact O-N 2.82Å; I479-V517 HydrophobicContact CB-CG1 4.5Å; I479-V517 HydrophobicContact CD1-CG1 3.32Å; I479-V517 HydrophobicContact CG1-CG1 3.51Å; I479-V517 HydrophobicContact CG2-CG1 4.27Å
480	Q	87.7	Confident	89.4	Confident	79 Å²	79	37.1 Å²	37.1	37%	0.369	16%	0.163	S	C	.	.	H	α-helix	trans	-55.7	-40.5	177	-74.6	172.2	-23	0	0	111.7	Y223 F476 N478 V483 Q484	Y223-Q480 HydrophobicContact CE2-CG 4.14Å; F476-Q480 WeakPolarHBondContact O-CB 3.35Å; F476-Q480 VanDerWaalsContact O-CG 3.28Å; F476-Q480 WeakPolarHBondContact O-CG 3.24Å; F476-Q480 PolarHBondContact O-N 3.46Å; N478-Q480 VanDerWaalsContact C-N 3.35Å; N478-Q480 PolarHBondContact O-N 2.86Å; Q480-V483 PolarHBondContact O-N 2.88Å; Q480-Q484 WeakPolarHBondContact O-CB 3.41Å; Q480-Q484 WeakPolarHBondContact O-CG 3.39Å; Q480-Q484 PolarHBondContact O-N 2.88Å
481	T	87.9	Confident	88.3	Confident	29 Å²	29	40.5 Å²	40.5	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-46.2	177.1	-58.4	0	0	0	0	111.6	R477 N478 I479 Q484 Y485	R477-T481 PolarHBondContact O-N 3.13Å; R477-T481 PolarHBondContact O-OG1 2.88Å; N478-T481 VanDerWaalsContact O-CB 3.31Å; N478-T481 WeakPolarHBondContact O-CB 3.24Å; N478-T481 PolarHBondContact O-N 3.13Å; N478-T481 VanDerWaalsContact O-N 3.09Å; I479-T481 PolarHBondContact O-N 2.65Å; T481-Q484 WeakPolarHBondContact O-CB 3.26Å; T481-Q484 PolarHBondContact O-N 2.95Å; T481-Y485 HydrophobicContact CG2-CE2 4.34Å; T481-Y485 PolarHBondContact O-N 3.18Å
482	I	91.2	Very high	86.9	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-41.9	179.1	-62	-42.5	0	0	0	111.6	F213 I429 A473 N478 I479 Q484 Y485 L486 Y510 F512 V515	F213-I482 HydrophobicContact CE1-CG2 3.86Å; F213-I482 HydrophobicContact CZ-CG2 4.11Å; I429-I482 HydrophobicContact CG2-CD1 4.18Å; A473-I482 HydrophobicContact CB-CG1 3.8Å; N478-I482 WeakPolarHBondContact O-CG1 3.26Å; N478-I482 PolarHBondContact O-N 3.12Å; I479-I482 PolarHBondContact O-N 2.88Å; I479-I482 VanDerWaalsContact O-N 3.11Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.28Å; I482-Y485 HydrophobicContact CD1-CD2 3.89Å; I482-Y485 HydrophobicContact CD1-CE2 3.77Å; I482-Y485 WeakPolarHBondContact O-CB 3.3Å; I482-Y485 PolarHBondContact O-N 3.14Å; I482-Y485 VanDerWaalsContact O-N 3.13Å; I482-L486 PolarHBondContact O-N 2.85Å; I482-Y510 HydrophobicContact CG2-CE2 4.39Å; I482-Y510 WeakPolarHBondContact CG2-OH 3.19Å; I482-F512 HydrophobicContact CD1-CE2 3.82Å; I482-V515 HydrophobicContact CG2-CG1 4.25Å; I482-V515 HydrophobicContact CG2-CG2 4.37Å
483	V	90	Very high	85.5	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-63.6	-36.6	175.2	173.4	0	0	0	0	111.7	W220 Y223 L229 F242 I244 I479 Q480 Y485 L486 R487	W220-V483 HydrophobicContact CH2-CG2 3.64Å; W220-V483 HydrophobicContact CZ3-CG2 3.73Å; Y223-V483 HydrophobicContact CE1-CG2 4.2Å; L229-V483 HydrophobicContact CD1-CG1 4.07Å; F242-V483 HydrophobicContact CE1-CG1 4.42Å; I244-V483 HydrophobicContact CD1-CB 4.26Å; I244-V483 HydrophobicContact CD1-CG1 3.9Å; I244-V483 HydrophobicContact CD1-CG2 3.57Å; I479-V483 HydrophobicContact CG2-CG2 4.26Å; I479-V483 WeakPolarHBondContact O-CG2 3.36Å; I479-V483 PolarHBondContact O-N 2.82Å; Q480-V483 PolarHBondContact O-N 2.88Å; V483-Y485 VanDerWaalsContact C-N 3.3Å; V483-Y485 PolarHBondContact O-N 3.46Å; V483-L486 PolarHBondContact O-N 3.22Å; V483-R487 PolarHBondContact O-N 3.19Å
484	Q	87.5	Confident	83.9	Confident	104 Å²	104	52.3 Å²	52.3	49%	0.486	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-32.5	174.4	-78.9	176.4	14.4	0	0	112.9	Q480 T481 I482 K488	Q480-Q484 WeakPolarHBondContact O-CB 3.41Å; Q480-Q484 WeakPolarHBondContact O-CG 3.39Å; Q480-Q484 PolarHBondContact O-N 2.88Å; T481-Q484 WeakPolarHBondContact O-CB 3.26Å; T481-Q484 PolarHBondContact O-N 2.95Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.28Å; Q484-K488 WeakPolarHBondContact O-CB 3.31Å; Q484-K488 WeakPolarHBondContact O-CG 3.36Å; Q484-K488 PolarHBondContact O-N 2.99Å
485	Y	88.4	Confident	82.1	Confident	48 Å²	48	53.6 Å²	53.6	19%	0.188	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-47.4	171.9	-65.1	-31.9	0	0	0	110.9	P456 T481 I482 V483 K488 T489 P511	P456-Y485 HydrophobicContact CG-CE2 4.22Å; T481-Y485 HydrophobicContact CG2-CE2 4.34Å; T481-Y485 PolarHBondContact O-N 3.18Å; I482-Y485 HydrophobicContact CD1-CD2 3.89Å; I482-Y485 HydrophobicContact CD1-CE2 3.77Å; I482-Y485 WeakPolarHBondContact O-CB 3.3Å; I482-Y485 PolarHBondContact O-N 3.14Å; I482-Y485 VanDerWaalsContact O-N 3.13Å; V483-Y485 VanDerWaalsContact C-N 3.3Å; V483-Y485 PolarHBondContact O-N 3.46Å; Y485-K488 PolarHBondContact O-N 3.04Å; Y485-T489 PolarHBondContact O-N 3.39Å; Y485-T489 PolarHBondContact O-OG1 2.81Å; Y485-P511 HydrophobicContact CD2-CG 4.05Å
486	L	89	Confident	80.6	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-64.7	-45.1	-179.8	-173.5	60.7	0	0	0	111.9	P211 F213 F242 I244 I482 V483 K488 T489 Y490 Y510	P211-L486 HydrophobicContact CG-CD1 3.98Å; P211-L486 HydrophobicContact CG-CD2 4.2Å; F213-L486 HydrophobicContact CE2-CD2 3.99Å; F242-L486 HydrophobicContact CE2-CB 4.5Å; F242-L486 HydrophobicContact CE2-CD2 4.06Å; F242-L486 HydrophobicContact CE2-CG 3.86Å; F242-L486 HydrophobicContact CZ-CB 4.42Å; F242-L486 HydrophobicContact CZ-CD2 4.07Å; F242-L486 HydrophobicContact CZ-CG 4.12Å; I244-L486 HydrophobicContact CD1-CD2 4.24Å; I244-L486 HydrophobicContact CG1-CD2 4.36Å; I482-L486 PolarHBondContact O-N 2.85Å; V483-L486 PolarHBondContact O-N 3.22Å; L486-K488 VanDerWaalsContact C-N 3.29Å; L486-K488 PolarHBondContact O-N 3.48Å; L486-T489 WeakPolarHBondContact O-CB 3.32Å; L486-T489 PolarHBondContact O-N 3.32Å; L486-T489 VanDerWaalsContact O-N 3.1Å; L486-Y490 HydrophobicContact CD1-CD2 4.02Å; L486-Y490 HydrophobicContact CD1-CE2 3.84Å; L486-Y490 HydrophobicContact CG-CD2 4.08Å; L486-Y490 HydrophobicContact CG-CE2 4.06Å; L486-Y490 WeakPolarHBondContact O-CD2 3.36Å; L486-Y490 PolarHBondContact O-N 3Å; L486-Y510 HydrophobicContact CB-CD2 3.72Å; L486-Y510 HydrophobicContact CB-CE2 3.68Å; L486-Y510 HydrophobicContact CD1-CD2 3.9Å; L486-Y510 HydrophobicContact CD1-CE2 4.41Å; L486-Y510 HydrophobicContact CD1-CG 4.12Å; L486-Y510 HydrophobicContact CG-CD2 4.42Å
487	R	84.6	Confident	79.5	Confident	55 Å²	55	61 Å²	61	21%	0.208	28%	0.279	C	S	.	.	H	α-helix	trans	-57.1	-43.5	176.7	178.6	177.6	144.8	144.1	-4.2	111.7	S231 F242 V483 Y490 Q491	S231-R487 VanDerWaalsContact CB-NH2 3.33Å; S231-R487 VanDerWaalsContact OG-CZ 3.28Å; S231-R487 PolarHBondContact OG-NH1 2.9Å; S231-R487 PolarHBondContact OG-NH2 2.5Å; F242-R487 HydrophobicContact CD1-CB 4.33Å; F242-R487 HydrophobicContact CD1-CG 4.33Å; F242-R487 HydrophobicContact CE1-CB 4.15Å; F242-R487 HydrophobicContact CG-CG 4.47Å; F242-R487 HydrophobicContact CZ-CB 4.23Å; V483-R487 PolarHBondContact O-N 3.19Å; R487-Y490 PolarHBondContact O-N 3.25Å; R487-Q491 WeakPolarHBondContact O-CG 3.18Å; R487-Q491 PolarHBondContact O-N 3.16Å
488	K	84.1	Confident	78.1	Confident	92 Å²	92	55.2 Å²	55.2	40%	0.4	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-48.8	175.2	-75	174.6	-178.1	177.2	0	110.2	Q484 Y485 L486 Y490 Q491 F492	Q484-K488 WeakPolarHBondContact O-CB 3.31Å; Q484-K488 WeakPolarHBondContact O-CG 3.36Å; Q484-K488 PolarHBondContact O-N 2.99Å; Y485-K488 PolarHBondContact O-N 3.04Å; L486-K488 VanDerWaalsContact C-N 3.29Å; L486-K488 PolarHBondContact O-N 3.48Å; K488-Y490 VanDerWaalsContact C-N 3.28Å; K488-Y490 PolarHBondContact O-N 2.73Å; K488-Q491 WeakPolarHBondContact O-CA 3.27Å; K488-Q491 WeakPolarHBondContact O-CB 3.49Å; K488-Q491 PolarHBondContact O-N 3.44Å; K488-F492 HydrophobicContact CB-CE2 4.46Å; K488-F492 WeakPolarHBondContact O-CD2 3.39Å; K488-F492 PolarHBondContact O-N 3.14Å
489	T	82.9	Confident	76.8	Confident	10 Å²	10	60.2 Å²	60.2	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-52.3	-43.8	176.5	-60.1	0	0	0	0	112.7	Y485 L486 F492 K493 Y510	Y485-T489 PolarHBondContact O-N 3.39Å; Y485-T489 PolarHBondContact O-OG1 2.81Å; L486-T489 WeakPolarHBondContact O-CB 3.32Å; L486-T489 PolarHBondContact O-N 3.32Å; L486-T489 VanDerWaalsContact O-N 3.1Å; T489-F492 PolarHBondContact O-N 3.07Å; T489-K493 PolarHBondContact O-N 3.23Å; T489-Y510 PolarHBondContact OG1-N 3.36Å
490	Y	79.1	Confident	75.2	Confident	46 Å²	46	63.2 Å²	63.2	18%	0.18	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-38.1	175.2	-91.4	-97.4	0	0	0	113.9	F242 H247 L486 R487 K488 F492	F242-Y490 HydrophobicContact CD2-CD1 4.18Å; F242-Y490 AromaticContact CD2-CD2 3.74Å; F242-Y490 HydrophobicContact CD2-CD2 3.74Å; F242-Y490 HydrophobicContact CD2-CE2 4.27Å; F242-Y490 AromaticContact CD2-CG 3.67Å; F242-Y490 HydrophobicContact CD2-CG 3.67Å; F242-Y490 AromaticContact CE2-CD2 3.68Å; F242-Y490 HydrophobicContact CE2-CD2 3.68Å; F242-Y490 HydrophobicContact CE2-CE2 4.03Å; F242-Y490 HydrophobicContact CE2-CG 4.12Å; H247-Y490 AromaticContact NE2-CE2 3.35Å; H247-Y490 WeakPolarHBondContact NE2-CE2 3.04Å; H247-Y490 AromaticContact NE2-CZ 3.43Å; H247-Y490 PolarHBondContact NE2-OH 3.13Å; L486-Y490 HydrophobicContact CD1-CD2 4.02Å; L486-Y490 HydrophobicContact CD1-CE2 3.84Å; L486-Y490 HydrophobicContact CG-CD2 4.08Å; L486-Y490 HydrophobicContact CG-CE2 4.06Å; L486-Y490 WeakPolarHBondContact O-CD2 3.36Å; L486-Y490 PolarHBondContact O-N 3Å; R487-Y490 PolarHBondContact O-N 3.25Å; K488-Y490 VanDerWaalsContact C-N 3.28Å; K488-Y490 PolarHBondContact O-N 2.73Å; Y490-F492 VanDerWaalsContact C-N 3.28Å; Y490-F492 PolarHBondContact O-N 2.65Å
491	Q	74	Confident	73.5	Confident	71 Å²	71	62.5 Å²	62.5	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-34.7	174.1	-69.8	174.4	-12.8	0	0	111.5	I233 R487 K488	I233-Q491 HydrophobicContact CD1-CG 4.13Å; R487-Q491 WeakPolarHBondContact O-CG 3.18Å; R487-Q491 PolarHBondContact O-N 3.16Å; K488-Q491 WeakPolarHBondContact O-CA 3.27Å; K488-Q491 WeakPolarHBondContact O-CB 3.49Å; K488-Q491 PolarHBondContact O-N 3.44Å
492	F	68.1	Low	71.9	Confident	25 Å²	25	69.3 Å²	69.3	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-73.4	-41.9	177.3	-81	-75.3	0	0	0	113.8	K488 T489 Y490 K494 C495 I506	K488-F492 HydrophobicContact CB-CE2 4.46Å; K488-F492 WeakPolarHBondContact O-CD2 3.39Å; K488-F492 PolarHBondContact O-N 3.14Å; T489-F492 PolarHBondContact O-N 3.07Å; Y490-F492 VanDerWaalsContact C-N 3.28Å; Y490-F492 PolarHBondContact O-N 2.65Å; F492-K494 PolarHBondContact O-N 3.07Å; F492-C495 PolarHBondContact O-N 3.47Å; F492-I506 HydrophobicContact CD2-CB 4.48Å; F492-I506 HydrophobicContact CD2-CG2 3.79Å; F492-I506 HydrophobicContact CE1-CB 4.12Å; F492-I506 HydrophobicContact CE1-CG2 4.44Å; F492-I506 HydrophobicContact CE2-CB 3.61Å; F492-I506 HydrophobicContact CE2-CD1 3.87Å; F492-I506 HydrophobicContact CE2-CG1 4.28Å; F492-I506 HydrophobicContact CE2-CG2 3.1Å; F492-I506 HydrophobicContact CZ-CB 3.39Å; F492-I506 HydrophobicContact CZ-CD1 3.46Å; F492-I506 VanDerWaalsContact CZ-CD1 3.46Å; F492-I506 HydrophobicContact CZ-CG1 3.95Å; F492-I506 HydrophobicContact CZ-CG2 3.51Å
493	K	69.3	Low	70	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-14.8	176.1	-74.1	-172.7	-176.8	-178.1	0	113.5	D208 T489	D208-K493 VanDerWaalsContact CG-NZ 3.33Å; D208-K493 IonicContact OD1-NZ 3.68Å; D208-K493 PolarHBondContact OD1-NZ 3.47Å; D208-K493 IonicContact OD2-NZ 2.71Å; D208-K493 PolarHBondContact OD2-NZ 3Å; T489-K493 PolarHBondContact O-N 3.23Å
494	K	62	Low	68.1	Low	106 Å²	106	80.3 Å²	80.3	46%	0.461	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-9.4	178.6	-66.1	-176.2	178.7	-174	0	115.2	R240 F492 D496	R240-K494 PolarHBondContact O-NZ 3.5Å; F492-K494 PolarHBondContact O-N 3.07Å; K494-D496 PolarHBondContact O-N 3.4Å
495	C	55.6	Low	66.3	Low	36 Å²	36	84.2 Å²	84.2	24%	0.243	41%	0.408	C	S	.	.			trans	-82.8	104.9	-179.6	-171.6	0	0	0	0	109	F492 D497	F492-C495 PolarHBondContact O-N 3.47Å; C495-D497 PolarHBondContact O-N 2.98Å
496	D	59.3	Low	64.4	Low	153 Å²	153	84.6 Å²	84.6	82%	0.818	41%	0.413	S	S	*	.			trans	-74.6	-8.7	176.3	-67	-33.4	0	0	0	113.1	K494 P498	K494-D496 PolarHBondContact O-N 3.4Å; D496-P498 VanDerWaalsContact O-CD 3.3Å; D496-P498 WeakPolarHBondContact O-CD 3.23Å
497	D	63.1	Low	63	Low	68 Å²	68	88 Å²	88	36%	0.364	43%	0.428	S	S	.	.			trans	-87.8	110.5	-178.1	-176.7	-11.1	0	0	0	112.1	C495 D499 L500 I501	C495-D497 PolarHBondContact O-N 2.98Å; D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.35Å; D497-D499 PolarHBondContact OD1-N 3.47Å; D497-L500 HydrophobicContact CB-CB 4.12Å; D497-L500 PolarHBondContact OD1-N 3.16Å; D497-I501 WeakPolarHBondContact O-CG1 3.39Å
498	P	57.7	Low	62.1	Low	84 Å²	84	88.2 Å²	88.2	55%	0.545	44%	0.435	S	S	.	.	H	α-helix	trans	-65.6	-27.2	179.3	-17.3	31.8	0	0	0	114.6	D496	D496-P498 VanDerWaalsContact O-CD 3.3Å; D496-P498 WeakPolarHBondContact O-CD 3.23Å
499	D	61.3	Low	62	Low	118 Å²	118	89.6 Å²	89.6	63%	0.631	44%	0.443	S	S	*	.	H	α-helix	trans	-79.7	-32.9	-176.7	-72.3	-31.3	0	0	0	111.1	D497 I501 K502 S503	D497-D499 VanDerWaalsContact C-N 3.31Å; D497-D499 PolarHBondContact O-N 3.35Å; D497-D499 PolarHBondContact OD1-N 3.47Å; D499-I501 VanDerWaalsContact C-N 3.28Å; D499-I501 PolarHBondContact O-N 3.3Å; D499-K502 PolarHBondContact O-N 2.86Å; D499-S503 PolarHBondContact O-N 2.96Å
500	L	57.7	Low	62.4	Low	66 Å²	66	90.1 Å²	90.1	35%	0.346	44%	0.444	S	S	.	.	H	α-helix	trans	-64.1	-34.6	171.8	-132.6	96.7	0	0	0	112.1	D497 S503	D497-L500 HydrophobicContact CB-CB 4.12Å; D497-L500 PolarHBondContact OD1-N 3.16Å; L500-S503 PolarHBondContact O-N 3.25Å; L500-S503 PolarHBondContact O-OG 3.46Å
501	I	51.1	Low	63.1	Low	64 Å²	64	88 Å²	88	33%	0.328	44%	0.435	S	S	.	.	H	α-helix	trans	-63.6	-42.4	179.8	-65.8	171.3	0	0	0	111.1	D497 D499	D497-I501 WeakPolarHBondContact O-CG1 3.39Å; D499-I501 VanDerWaalsContact C-N 3.28Å; D499-I501 PolarHBondContact O-N 3.3Å
502	K	53.7	Low	64.2	Low	172 Å²	172	84.8 Å²	84.8	75%	0.748	42%	0.421	S	S	*	.	H	α-helix	trans	-71.7	-36.8	178.6	-69.6	178	-177.7	169.3	0	112.7	D499 R504	D499-K502 PolarHBondContact O-N 2.86Å; K502-R504 PolarHBondContact O-N 2.93Å
503	S	51.6	Low	65.6	Low	86 Å²	86	84.2 Å²	84.2	60%	0.601	42%	0.418	S	S	*	.	H	α-helix	trans	-68.8	-27.2	-171.5	73.1	0	0	0	0	114.9	D499 L500	D499-S503 PolarHBondContact O-N 2.96Å; L500-S503 PolarHBondContact O-N 3.25Å; L500-S503 PolarHBondContact O-OG 3.46Å
504	R	50.4	Low	67	Low	149 Å²	149	78 Å²	78	56%	0.562	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.7	-169.9	-71.9	-172.1	170.5	179.2	-2.2	115.6	K502 I506	K502-R504 PolarHBondContact O-N 2.93Å; R504-I506 HydrophobicContact CB-CB 4.41Å; R504-I506 HydrophobicContact CB-CD1 3.84Å; R504-I506 HydrophobicContact CB-CG1 3.96Å; R504-I506 WeakPolarHBondContact O-CG1 3.46Å; R504-I506 PolarHBondContact O-N 2.98Å
505	Q	49.5	Very low	68.7	Low	186 Å²	186	73 Å²	73	87%	0.869	37%	0.37	S	S	*	.			trans	47.7	24.3	-171.7	-74.9	-177.2	-9.7	0	0	113.3
506	I	48.9	Very low	70.7	Confident	57 Å²	57	71.3 Å²	71.3	29%	0.292	36%	0.358	S	S	.	.			trans	-90	127.6	-179	-65.4	167.8	0	0	0	108.5	F492 R504 V508	F492-I506 HydrophobicContact CD2-CB 4.48Å; F492-I506 HydrophobicContact CD2-CG2 3.79Å; F492-I506 HydrophobicContact CE1-CB 4.12Å; F492-I506 HydrophobicContact CE1-CG2 4.44Å; F492-I506 HydrophobicContact CE2-CB 3.61Å; F492-I506 HydrophobicContact CE2-CD1 3.87Å; F492-I506 HydrophobicContact CE2-CG1 4.28Å; F492-I506 HydrophobicContact CE2-CG2 3.1Å; F492-I506 HydrophobicContact CZ-CB 3.39Å; F492-I506 HydrophobicContact CZ-CD1 3.46Å; F492-I506 VanDerWaalsContact CZ-CD1 3.46Å; F492-I506 HydrophobicContact CZ-CG1 3.95Å; F492-I506 HydrophobicContact CZ-CG2 3.51Å; R504-I506 HydrophobicContact CB-CB 4.41Å; R504-I506 HydrophobicContact CB-CD1 3.84Å; R504-I506 HydrophobicContact CB-CG1 3.96Å; R504-I506 WeakPolarHBondContact O-CG1 3.46Å; R504-I506 PolarHBondContact O-N 2.98Å; I506-V508 PolarHBondContact O-N 3.03Å
507	K	60.3	Low	72.5	Confident	75 Å²	75	64.1 Å²	64.1	33%	0.326	32%	0.32	S	S	.	.			trans	-70.6	115.5	-171	-56	174.8	173.6	168.9	0	109.4	T455 H459 H509	T455-K507 PolarHBondContact OG1-NZ 3.13Å; H459-K507 HydrophobicContact CB-CD 3.43Å; H459-K507 VanDerWaalsContact CB-CD 3.43Å; H459-K507 WeakPolarHBondContact ND1-CD 3.48Å; K507-H509 PolarHBondContact O-N 3.13Å
508	V	65.4	Low	74	Confident	58 Å²	58	61 Å²	61	35%	0.352	30%	0.303	S	S	.	.	S	Bend	trans	-65.1	-25.8	-165.6	-176.4	0	0	0	0	112.5	I506	I506-V508 PolarHBondContact O-N 3.03Å
509	H	81.2	Confident	75.6	Confident	122 Å²	122	57.3 Å²	57.3	57%	0.565	28%	0.28	S	S	*	.	S	Bend	trans	-115.1	143.1	-170.5	-53.2	-54.5	0	0	0	112.9	H459 K507	H459-H509 PolarHBondContact NE2-O 2.98Å; K507-H509 PolarHBondContact O-N 3.13Å
510	Y	92	Very high	77	Confident	21 Å²	21	53 Å²	53	8%	0.082	26%	0.259	C	S	.	.			trans	-67.6	136.2	172.3	-174.5	-95.8	0	0	0	110.1	P211 F213 I482 L486 T489 F512 V515	P211-Y510 HydrophobicContact CB-CD1 3.55Å; P211-Y510 HydrophobicContact CB-CE1 3.23Å; P211-Y510 HydrophobicContact CG-CD1 3.43Å; P211-Y510 VanDerWaalsContact CG-CD1 3.43Å; P211-Y510 HydrophobicContact CG-CD2 4.47Å; P211-Y510 HydrophobicContact CG-CE1 3.24Å; P211-Y510 HydrophobicContact CG-CE2 4.31Å; P211-Y510 HydrophobicContact CG-CG 4.05Å; F213-Y510 WeakPolarHBondContact CZ-OH 3.37Å; I482-Y510 HydrophobicContact CG2-CE2 4.39Å; I482-Y510 WeakPolarHBondContact CG2-OH 3.19Å; L486-Y510 HydrophobicContact CB-CD2 3.72Å; L486-Y510 HydrophobicContact CB-CE2 3.68Å; L486-Y510 HydrophobicContact CD1-CD2 3.9Å; L486-Y510 HydrophobicContact CD1-CE2 4.41Å; L486-Y510 HydrophobicContact CD1-CG 4.12Å; L486-Y510 HydrophobicContact CG-CD2 4.42Å; T489-Y510 PolarHBondContact OG1-N 3.36Å; Y510-F512 HydrophobicContact CD1-CB 4.47Å; Y510-F512 WeakPolarHBondContact CD1-O 3.43Å; Y510-F512 HydrophobicContact CE1-CB 3.78Å; Y510-F512 HydrophobicContact CE1-CD2 4.08Å; Y510-F512 HydrophobicContact CE1-CG 4.36Å; Y510-F512 VanDerWaalsContact CE1-O 3.32Å; Y510-F512 WeakPolarHBondContact CE1-O 3.42Å; Y510-F512 PolarHBondContact O-N 3.38Å; Y510-V515 HydrophobicContact CE1-CG2 4.3Å; Y510-V515 VanDerWaalsContact OH-CG2 3.3Å; Y510-V515 WeakPolarHBondContact OH-CG2 3.47Å
511	P	93.4	Very high	78.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-79.8	-15.6	-165.6	28.5	-34.6	0	0	0	115.9	P456 R458 Y485	P456-P511 HydrophobicContact CB-CB 3.45Å; P456-P511 VanDerWaalsContact CB-CB 3.45Å; P456-P511 HydrophobicContact CB-CG 4.11Å; P456-P511 HydrophobicContact CG-CB 3.86Å; P456-P511 HydrophobicContact CG-CG 3.97Å; R458-P511 VanDerWaalsContact CD-O 3.27Å; R458-P511 WeakPolarHBondContact CD-O 3.47Å; Y485-P511 HydrophobicContact CD2-CG 4.05Å
512	F	96.6	Very high	80.3	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.022	27%	0.272	C	S	.	.			trans	-123	150.3	-173.1	-46.9	-58.4	0	0	0	111.9	P211 L424 E431 P456 V469 I482 Y510 V515	P211-F512 WeakPolarHBondContact CB-O 3.37Å; L424-F512 HydrophobicContact CD1-CE1 4.31Å; L424-F512 HydrophobicContact CD1-CZ 3.77Å; E431-F512 HydrophobicContact CB-CE1 3.78Å; P456-F512 HydrophobicContact CB-CE1 4.34Å; P456-F512 HydrophobicContact CB-CZ 4.29Å; P456-F512 HydrophobicContact CG-CZ 4.33Å; V469-F512 HydrophobicContact CG1-CD1 3.73Å; V469-F512 HydrophobicContact CG1-CE1 4.17Å; V469-F512 CarbonylContact O-C 3.45Å; V469-F512 VanDerWaalsContact O-CA 3.24Å; V469-F512 WeakPolarHBondContact O-CA 3.07Å; I482-F512 HydrophobicContact CD1-CE2 3.82Å; Y510-F512 HydrophobicContact CD1-CB 4.47Å; Y510-F512 WeakPolarHBondContact CD1-O 3.43Å; Y510-F512 HydrophobicContact CE1-CB 3.78Å; Y510-F512 HydrophobicContact CE1-CD2 4.08Å; Y510-F512 HydrophobicContact CE1-CG 4.36Å; Y510-F512 VanDerWaalsContact CE1-O 3.32Å; Y510-F512 WeakPolarHBondContact CE1-O 3.42Å; Y510-F512 PolarHBondContact O-N 3.38Å; F512-V515 HydrophobicContact CB-CG2 4.02Å; F512-V515 HydrophobicContact CD2-CG2 4.08Å; F512-V515 HydrophobicContact CG-CG2 4.43Å
513	D	97.3	Very high	82.1	Confident	12 Å²	12	46.6 Å²	46.6	6%	0.064	24%	0.237	C	C	.	.	S	Bend	trans	-85.5	-39.2	169.3	-51.1	-59.3	0	0	0	110.9	F195 F199 P211 L212 R458 L468 V469 F470	F195-D513 HydrophobicContact CE2-CB 3.76Å; F195-D513 HydrophobicContact CZ-CB 3.72Å; F199-D513 HydrophobicContact CE2-CB 4.48Å; P211-D513 CarbonylContact C-O 3.56Å; P211-D513 VanDerWaalsContact CA-O 3.26Å; P211-D513 WeakPolarHBondContact CA-O 3.37Å; L212-D513 PolarHBondContact N-O 2.93Å; R458-D513 IonicContact CZ-OD1 3.72Å; R458-D513 VanDerWaalsContact CZ-OD1 3.31Å; R458-D513 IonicContact CZ-OD2 2.62Å; R458-D513 VanDerWaalsContact NH1-CG 3.26Å; R458-D513 IonicContact NH1-OD1 3.17Å; R458-D513 PolarHBondContact NH1-OD1 2.94Å; R458-D513 IonicContact NH1-OD2 3.2Å; R458-D513 PolarHBondContact NH1-OD2 3.14Å; R458-D513 IonicContact NH2-OD1 3.04Å; R458-D513 PolarHBondContact NH2-OD1 3.22Å; R458-D513 IonicContact NH2-OD2 3.74Å; R458-D513 PolarHBondContact NH2-OD2 3.33Å; L468-D513 WeakPolarHBondContact CA-OD2 3.25Å; V469-D513 PolarHBondContact N-OD2 3.47Å; V469-D513 PolarHBondContact O-N 3.3Å; F470-D513 HydrophobicContact CE1-CB 4.35Å
514	Y	98.5	Very high	84.2	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.1	180	179.9	-90.4	0	0	0	110.1	F195 L212 S214 A393 I396 F470 G471 E516	F195-Y514 AromaticContact CD2-CD2 3.99Å; F195-Y514 HydrophobicContact CD2-CD2 3.99Å; F195-Y514 HydrophobicContact CD2-CG 4.42Å; F195-Y514 HydrophobicContact CG-CD2 4.42Å; L212-Y514 HydrophobicContact CB-CD2 4.07Å; L212-Y514 HydrophobicContact CD2-CD2 4.33Å; L212-Y514 HydrophobicContact CD2-CE2 4.39Å; L212-Y514 HydrophobicContact CG-CD2 4.32Å; L212-Y514 HydrophobicContact CG-CE2 4.43Å; L212-Y514 CarbonylContact O-C 3.19Å; L212-Y514 VanDerWaalsContact O-CA 3.24Å; L212-Y514 WeakPolarHBondContact O-CA 3.48Å; L212-Y514 WeakPolarHBondContact O-CD2 3.45Å; S214-Y514 VanDerWaalsContact CB-OH 3.27Å; S214-Y514 WeakPolarHBondContact CB-OH 3.47Å; A393-Y514 HydrophobicContact CB-CE1 4.5Å; I396-Y514 HydrophobicContact CD1-CE1 4.09Å; I396-Y514 HydrophobicContact CD1-CE2 3.68Å; I396-Y514 VanDerWaalsContact CD1-CZ 3.42Å; I396-Y514 VanDerWaalsContact CD1-OH 3.24Å; I396-Y514 WeakPolarHBondContact CD1-OH 3.5Å; I396-Y514 HydrophobicContact CG2-CD2 4.46Å; F470-Y514 CarbonylContact C-O 3.57Å; F470-Y514 WeakPolarHBondContact CA-O 3.3Å; F470-Y514 AromaticContact CD2-CD1 3.55Å; F470-Y514 HydrophobicContact CD2-CD1 3.55Å; F470-Y514 AromaticContact CD2-CG 3.91Å; F470-Y514 HydrophobicContact CD2-CG 3.91Å; F470-Y514 AromaticContact CE2-CD1 3.72Å; F470-Y514 HydrophobicContact CE2-CD1 3.72Å; F470-Y514 AromaticContact CE2-CG 3.73Å; F470-Y514 HydrophobicContact CE2-CG 3.73Å; F470-Y514 HydrophobicContact CG-CD1 4.28Å; F470-Y514 HydrophobicContact CG-CG 4.48Å; F470-Y514 HydrophobicContact CZ-CG 4.17Å; G471-Y514 PolarHBondContact N-O 2.77Å; Y514-E516 HydrophobicContact CE1-CB 4.21Å
515	V	98.2	Very high	86.3	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	117.6	175.6	-166.5	0	0	0	0	111.3	L212 F213 S214 G471 A473 I482 Y510 F512 V517	L212-V515 PolarHBondContact O-N 2.99Å; F213-V515 WeakPolarHBondContact CA-O 3.48Å; F213-V515 HydrophobicContact CD1-CB 3.67Å; F213-V515 HydrophobicContact CD1-CG1 4.09Å; F213-V515 HydrophobicContact CD1-CG2 4.13Å; F213-V515 HydrophobicContact CE1-CB 3.82Å; F213-V515 HydrophobicContact CE1-CG1 4.03Å; F213-V515 HydrophobicContact CE1-CG2 3.85Å; F213-V515 HydrophobicContact CG-CB 4.3Å; F213-V515 HydrophobicContact CZ-CG2 4.16Å; S214-V515 PolarHBondContact N-O 2.83Å; G471-V515 CarbonylContact O-C 3.51Å; G471-V515 VanDerWaalsContact O-CA 3.31Å; G471-V515 WeakPolarHBondContact O-CA 3.47Å; A473-V515 HydrophobicContact CB-CG1 4.46Å; I482-V515 HydrophobicContact CG2-CG1 4.25Å; I482-V515 HydrophobicContact CG2-CG2 4.37Å; Y510-V515 HydrophobicContact CE1-CG2 4.3Å; Y510-V515 VanDerWaalsContact OH-CG2 3.3Å; Y510-V515 WeakPolarHBondContact OH-CG2 3.47Å; F512-V515 HydrophobicContact CB-CG2 4.02Å; F512-V515 HydrophobicContact CD2-CG2 4.08Å; F512-V515 HydrophobicContact CG-CG2 4.43Å; V515-V517 HydrophobicContact CB-CG2 4.2Å; V515-V517 HydrophobicContact CG1-CG2 3.51Å
516	E	98.2	Very high	88.4	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.5	164.2	179.7	179.5	147.1	0	0	109.5	S387 Y392 A393 G471 I472 A473 Y514 M518	S387-E516 WeakPolarHBondContact CB-OE1 3.45Å; S387-E516 PolarHBondContact OG-OE1 2.86Å; Y392-E516 WeakPolarHBondContact CB-OE2 3.47Å; Y392-E516 PolarHBondContact N-OE2 3.38Å; Y392-E516 VanDerWaalsContact N-OE2 3.09Å; A393-E516 HydrophobicContact CB-CB 3.92Å; A393-E516 PolarHBondContact N-OE2 3.27Å; G471-E516 PolarHBondContact O-N 3.35Å; I472-E516 CarbonylContact C-O 3.56Å; I472-E516 WeakPolarHBondContact CA-O 3.35Å; I472-E516 HydrophobicContact CG1-CB 4.29Å; I472-E516 HydrophobicContact CG2-CB 4.49Å; A473-E516 PolarHBondContact N-O 2.97Å; Y514-E516 HydrophobicContact CE1-CB 4.21Å; E516-M518 HydrophobicContact CG-CE 3.56Å
517	V	95.7	Very high	90.4	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.3	-173.3	176.5	0	0	0	0	112.4	F213 S214 C217 W220 A473 I479 V515	F213-V517 HydrophobicContact CD1-CG2 3.7Å; F213-V517 HydrophobicContact CE1-CG2 4.27Å; S214-V517 PolarHBondContact OG-N 3.18Å; C217-V517 VanDerWaalsContact CB-O 3.31Å; C217-V517 WeakPolarHBondContact CB-O 3.09Å; W220-V517 HydrophobicContact CB-CG1 3.9Å; W220-V517 HydrophobicContact CD2-CB 4.42Å; W220-V517 HydrophobicContact CD2-CG1 3.77Å; W220-V517 HydrophobicContact CE3-CG1 4.07Å; W220-V517 HydrophobicContact CG-CB 4.27Å; W220-V517 HydrophobicContact CG-CG1 3.69Å; A473-V517 WeakPolarHBondContact O-CA 3.05Å; I479-V517 HydrophobicContact CB-CG1 4.5Å; I479-V517 HydrophobicContact CD1-CG1 3.32Å; I479-V517 HydrophobicContact CG1-CG1 3.51Å; I479-V517 HydrophobicContact CG2-CG1 4.27Å; V515-V517 HydrophobicContact CB-CG2 4.2Å; V515-V517 HydrophobicContact CG1-CG2 3.51Å
518	M	95.3	Very high	91.7	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.3	174.2	-49.4	-70.6	154	0	0	110.9	I216 C217 S389 A473 N474 G475 E516 C520	I216-M518 HydrophobicContact CD1-CE 3.33Å; I216-M518 HydrophobicContact CD1-SD 3.33Å; I216-M518 WeakPolarHBondContact CD1-SD 3.34Å; I216-M518 HydrophobicContact CG1-CE 3.85Å; I216-M518 HydrophobicContact CG1-SD 4.43Å; C217-M518 HydrophobicContact CB-SD 4.21Å; S389-M518 VanDerWaalsContact CB-SD 3.58Å; S389-M518 WeakPolarHBondContact OG-CG 3.44Å; A473-M518 PolarHBondContact O-N 3.27Å; A473-M518 VanDerWaalsContact O-N 3.08Å; N474-M518 CarbonylContact C-O 3.08Å; N474-M518 VanDerWaalsContact CA-O 3.27Å; N474-M518 WeakPolarHBondContact CA-O 3.26Å; N474-M518 VanDerWaalsContact OD1-CB 3.3Å; N474-M518 WeakPolarHBondContact OD1-CB 3.49Å; N474-M518 VanDerWaalsContact OD1-CG 3.22Å; N474-M518 WeakPolarHBondContact OD1-CG 3.47Å; G475-M518 PolarHBondContact N-O 3.46Å; E516-M518 HydrophobicContact CG-CE 3.56Å; M518-C520 VanDerWaalsContact C-N 3.26Å; M518-C520 PolarHBondContact O-N 3.29Å
519	A	91.6	Very high	93	Very high	8 Å²	8	23.2 Å²	23.2	7%	0.066	13%	0.134	C	C	.	.	S	Bend	trans	-64.3	-30.3	178.5	0	0	0	0	0	113.3	C217 G475 F476	C217-A519 PolarHBondContact SG-N 2.88Å; G475-A519 VanDerWaalsContact CA-O 3.23Å; G475-A519 WeakPolarHBondContact CA-O 3.29Å; F476-A519 HydrophobicContact CD2-CB 4.3Å; F476-A519 HydrophobicContact CE1-CB 4.08Å; F476-A519 HydrophobicContact CE2-CB 3.72Å; F476-A519 HydrophobicContact CZ-CB 3.59Å; F476-A519 PolarHBondContact N-O 3Å
520	C	90.7	Very high	93.6	Very high	28 Å²	28	17.6 Å²	17.6	19%	0.189	11%	0.108	C	C	.	.	S	Bend	trans	-84	136.3	177.5	-64.9	0	0	0	0	111	G475 M518 G523	G475-C520 PolarHBondContact N-O 3.46Å; M518-C520 VanDerWaalsContact C-N 3.26Å; M518-C520 PolarHBondContact O-N 3.29Å; C520-G523 PolarHBondContact O-N 2.86Å
521	P	89.8	Confident	93.7	Very high	62 Å²	62	17.9 Å²	17.9	40%	0.403	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	143.4	166	-21.3	32.4	0	0	0	110.4	G523 N526	P521-G523 PolarHBondContact O-N 2.72Å; P521-G523 VanDerWaalsContact O-N 3.13Å; P521-N526 WeakPolarHBondContact O-CB 3.22Å; P521-N526 PolarHBondContact O-ND2 3.1Å
522	N	88.8	Confident	93.6	Very high	104 Å²	104	22.2 Å²	22.2	56%	0.556	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	9.6	-170.4	-62.1	-44	0	0	0	116	D428 N526	D428-N522 WeakPolarHBondContact OD1-CA 3.48Å; D428-N522 PolarHBondContact OD1-N 3.1Å; N522-N526 HydrophobicContact CB-CB 4.17Å
523	G	91.6	Very high	93.2	Very high	1 Å²	1	31 Å²	31	1%	0.01	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	72.1	-153.7	175.7	0	0	0	0	0	114.7	S389 C520 P521 L525 N526	S389-G523 WeakPolarHBondContact OG-CA 3.23Å; C520-G523 PolarHBondContact O-N 2.86Å; P521-G523 PolarHBondContact O-N 2.72Å; P521-G523 VanDerWaalsContact O-N 3.13Å; G523-L525 PolarHBondContact O-N 2.67Å; G523-L525 VanDerWaalsContact O-N 3.17Å; G523-N526 PolarHBondContact O-N 2.86Å
524	C	95.1	Very high	93	Very high	30 Å²	30	31.2 Å²	31.2	20%	0.203	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-64.3	-22.5	-170.8	-61.8	0	0	0	0	114.1	Q123 P277 S389 N526 G527 Q530	Q123-C524 HydrophobicContact CG-CB 4.39Å; P277-C524 HydrophobicContact CG-CB 4.33Å; S389-C524 PolarHBondContact OG-N 3.31Å; C524-N526 PolarHBondContact O-N 2.62Å; C524-G527 PolarHBondContact O-N 3Å; C524-G527 VanDerWaalsContact O-N 3.07Å; C524-Q530 PolarHBondContact O-NE2 2.86Å
525	L	94.4	Very high	92.7	Very high	15 Å²	15	32.5 Å²	32.5	8%	0.079	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.9	-12.9	175	-69.6	175	0	0	0	113.3	Q123 G388 G523 Q530 T538 Y542	Q123-L525 HydrophobicContact CB-CD2 4.37Å; Q123-L525 HydrophobicContact CG-CD2 3.79Å; G388-L525 VanDerWaalsContact CA-CD1 3.49Å; G523-L525 PolarHBondContact O-N 2.67Å; G523-L525 VanDerWaalsContact O-N 3.17Å; L525-Q530 PolarHBondContact O-NE2 2.86Å; L525-T538 HydrophobicContact CD2-CG2 4.18Å; L525-Y542 HydrophobicContact CD1-CD1 4.37Å; L525-Y542 HydrophobicContact CD2-CD1 4.32Å; L525-Y542 HydrophobicContact CD2-CD2 4.03Å; L525-Y542 HydrophobicContact CD2-CG 3.75Å
526	N	92.7	Very high	92.5	Very high	41 Å²	41	36 Å²	36	22%	0.219	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-118.9	26.9	170.5	-176.5	41.8	0	0	0	111.4	P521 N522 G523 C524 M535	P521-N526 WeakPolarHBondContact O-CB 3.22Å; P521-N526 PolarHBondContact O-ND2 3.1Å; N522-N526 HydrophobicContact CB-CB 4.17Å; G523-N526 PolarHBondContact O-N 2.86Å; C524-N526 PolarHBondContact O-N 2.62Å; N526-M535 HydrophobicContact CB-SD 4.22Å; N526-M535 PolarHBondContact OD1-SD 3.24Å
527	G	91.2	Very high	92.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	23%	0.229	C	C	.	.			trans	-54.8	147.2	-178.8	0	0	0	0	0	113	P277 C524 G529 Q530 K532	P277-G527 CarbonylContact O-C 3.53Å; P277-G527 WeakPolarHBondContact O-CA 3.45Å; C524-G527 PolarHBondContact O-N 3Å; C524-G527 VanDerWaalsContact O-N 3.07Å; G527-G529 PolarHBondContact O-N 3.22Å; G527-G529 VanDerWaalsContact O-N 3.14Å; G527-Q530 VanDerWaalsContact N-NE2 3.18Å; G527-Q530 PolarHBondContact O-N 2.87Å; G527-K532 PolarHBondContact O-NZ 3.33Å
528	G	89	Confident	92.5	Very high	32 Å²	32	40.3 Å²	40.3	33%	0.33	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.8	-175.8	0	0	0	0	0	114.4	P277 F279 Q530	P277-G528 PolarHBondContact O-N 3.26Å; F279-G528 VanDerWaalsContact CE2-O 3.28Å; F279-G528 WeakPolarHBondContact CE2-O 3.34Å; G528-Q530 PolarHBondContact O-N 3.04Å
529	G	91.6	Very high	92.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.7	-175.7	0	0	0	0	0	115.6	P277 T311 N312 G527	P277-G529 PolarHBondContact O-N 2.78Å; T311-G529 WeakPolarHBondContact CB-O 2.88Å; T311-G529 PolarHBondContact N-O 2.89Å; N312-G529 PolarHBondContact N-O 3.31Å; N312-G529 PolarHBondContact OD1-O 2.77Å; N312-G529 VanDerWaalsContact OD1-O 3.05Å; G527-G529 PolarHBondContact O-N 3.22Å; G527-G529 VanDerWaalsContact O-N 3.14Å
530	Q	94	Very high	92.8	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.019	27%	0.272	C	S	.	.	S	Bend	trans	-93.3	156.9	179.6	-64.9	-174.6	125.7	0	0	112.7	Q123 N127 P277 T311 C524 L525 G527 G528 K532 M535	Q123-Q530 PolarHBondContact O-OE1 3.35Å; N127-Q530 HydrophobicContact CB-CG 4.4Å; P277-Q530 VanDerWaalsContact CB-CD 3.48Å; P277-Q530 HydrophobicContact CB-CG 3.46Å; P277-Q530 VanDerWaalsContact CB-CG 3.46Å; T311-Q530 HydrophobicContact CG2-CG 4.42Å; C524-Q530 PolarHBondContact O-NE2 2.86Å; L525-Q530 PolarHBondContact O-NE2 2.86Å; G527-Q530 VanDerWaalsContact N-NE2 3.18Å; G527-Q530 PolarHBondContact O-N 2.87Å; G528-Q530 PolarHBondContact O-N 3.04Å; Q530-K532 WeakPolarHBondContact O-CD 3.4Å; Q530-K532 WeakPolarHBondContact O-CE 3.24Å; Q530-K532 PolarHBondContact O-N 3.18Å; Q530-M535 HydrophobicContact CB-CE 4.42Å
531	V	93.8	Very high	93.2	Very high	28 Å²	28	49.3 Å²	49.3	17%	0.17	27%	0.273	C	S	.	.			trans	-63	128.7	169.7	-178.6	0	0	0	0	108.9	N127 L315 I534 M535	N127-V531 PolarHBondContact ND2-O 3.34Å; N127-V531 VanDerWaalsContact ND2-O 3.13Å; N127-V531 PolarHBondContact OD1-N 2.64Å; L315-V531 HydrophobicContact CD2-CG2 3.52Å; V531-I534 HydrophobicContact CB-CD1 4Å; V531-I534 HydrophobicContact CG1-CD1 3.93Å; V531-I534 HydrophobicContact CG1-CG1 4.45Å; V531-M535 WeakPolarHBondContact O-CE 3.1Å
532	K	91.5	Very high	93.5	Very high	91 Å²	91	46.7 Å²	46.7	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	-81.7	174.8	-174.8	-55.5	-54.2	-178.6	-178.8	0	112.2	G527 Q530 I534	G527-K532 PolarHBondContact O-NZ 3.33Å; Q530-K532 WeakPolarHBondContact O-CD 3.4Å; Q530-K532 WeakPolarHBondContact O-CE 3.24Å; Q530-K532 PolarHBondContact O-N 3.18Å; K532-I534 PolarHBondContact O-N 3.04Å
533	E	89.1	Confident	93.9	Very high	190 Å²	190	44.1 Å²	44.1	89%	0.888	25%	0.247	S	C	*	.	S	Bend	trans	71.3	-15.6	175.8	-55.2	173.4	-179.3	0	0	116.7
534	I	92.7	Very high	94.1	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.077	27%	0.274	C	S	.	.			trans	-108.3	22.9	-180	60.3	178.1	0	0	0	113.8	N127 H131 A134 V531 K532 A536 Q537 T538	N127-I534 WeakPolarHBondContact O-CD1 3.33Å; H131-I534 HydrophobicContact CB-CD1 3.58Å; A134-I534 HydrophobicContact CB-CG2 4Å; V531-I534 HydrophobicContact CB-CD1 4Å; V531-I534 HydrophobicContact CG1-CD1 3.93Å; V531-I534 HydrophobicContact CG1-CG1 4.45Å; K532-I534 PolarHBondContact O-N 3.04Å; I534-A536 PolarHBondContact O-N 2.95Å; I534-Q537 PolarHBondContact O-N 3.44Å; I534-Q537 PolarHBondContact O-OE1 3.31Å; I534-T538 WeakPolarHBondContact O-CB 3.23Å; I534-T538 PolarHBondContact O-N 3.32Å; I534-T538 PolarHBondContact O-OG1 2.87Å
535	M	92.3	Very high	94.2	Very high	29 Å²	29	46.9 Å²	46.9	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-31.2	-170.4	-57.1	-67.2	83.5	0	0	113.6	N127 N526 Q530 V531 T538 S539	N127-M535 WeakPolarHBondContact ND2-CE 3.19Å; N526-M535 HydrophobicContact CB-SD 4.22Å; N526-M535 PolarHBondContact OD1-SD 3.24Å; Q530-M535 HydrophobicContact CB-CE 4.42Å; V531-M535 WeakPolarHBondContact O-CE 3.1Å; M535-T538 PolarHBondContact O-N 3Å; M535-S539 WeakPolarHBondContact O-CB 3.41Å; M535-S539 PolarHBondContact O-N 3.5Å; M535-S539 PolarHBondContact O-OG 2.71Å
536	A	94.2	Very high	94.3	Very high	73 Å²	73	49.1 Å²	49.1	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-66.9	-47.9	177.8	0	0	0	0	0	110.9	I534 T538 S539 E540	I534-A536 PolarHBondContact O-N 2.95Å; A536-T538 VanDerWaalsContact C-N 3.32Å; A536-T538 PolarHBondContact O-N 2.92Å; A536-S539 WeakPolarHBondContact O-CB 3.32Å; A536-S539 PolarHBondContact O-N 3.35Å; A536-S539 VanDerWaalsContact O-N 3.13Å; A536-E540 PolarHBondContact O-N 3.23Å
537	Q	96.5	Very high	94.5	Very high	93 Å²	93	50.1 Å²	50.1	44%	0.435	29%	0.289	S	S	.	.	H	α-helix	trans	-63.4	-39.7	175.5	-61.6	82	-4.4	0	0	111	I534 S539 E540 L541	I534-Q537 PolarHBondContact O-N 3.44Å; I534-Q537 PolarHBondContact O-OE1 3.31Å; Q537-S539 PolarHBondContact O-N 3.27Å; Q537-E540 PolarHBondContact O-N 3.27Å; Q537-L541 PolarHBondContact O-N 2.62Å
538	T	97.2	Very high	94.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-41.8	174.6	-59.4	0	0	0	0	110.6	A126 N127 S130 L525 I534 M535 A536 Y542	A126-T538 HydrophobicContact CB-CG2 4.12Å; N127-T538 WeakPolarHBondContact CA-OG1 3.39Å; N127-T538 HydrophobicContact CB-CG2 3.83Å; N127-T538 PolarHBondContact ND2-OG1 3.2Å; N127-T538 VanDerWaalsContact ND2-OG1 3.14Å; S130-T538 VanDerWaalsContact OG-CA 3.23Å; S130-T538 WeakPolarHBondContact OG-CA 3.43Å; S130-T538 PolarHBondContact OG-N 3.39Å; S130-T538 PolarHBondContact OG-OG1 3.31Å; L525-T538 HydrophobicContact CD2-CG2 4.18Å; I534-T538 WeakPolarHBondContact O-CB 3.23Å; I534-T538 PolarHBondContact O-N 3.32Å; I534-T538 PolarHBondContact O-OG1 2.87Å; M535-T538 PolarHBondContact O-N 3Å; A536-T538 VanDerWaalsContact C-N 3.32Å; A536-T538 PolarHBondContact O-N 2.92Å; T538-Y542 WeakPolarHBondContact O-CB 3.38Å; T538-Y542 PolarHBondContact O-N 3.03Å
539	S	96.4	Very high	95	Very high	44 Å²	44	54.7 Å²	54.7	31%	0.308	30%	0.301	S	S	.	.	H	α-helix	trans	-68.6	-38.8	178.9	-56.2	0	0	0	0	112.4	M535 A536 Q537 A543	M535-S539 WeakPolarHBondContact O-CB 3.41Å; M535-S539 PolarHBondContact O-N 3.5Å; M535-S539 PolarHBondContact O-OG 2.71Å; A536-S539 WeakPolarHBondContact O-CB 3.32Å; A536-S539 PolarHBondContact O-N 3.35Å; A536-S539 VanDerWaalsContact O-N 3.13Å; Q537-S539 PolarHBondContact O-N 3.27Å; S539-A543 VanDerWaalsContact O-CB 3.28Å; S539-A543 WeakPolarHBondContact O-CB 3.27Å; S539-A543 PolarHBondContact O-N 3.38Å
540	E	97	Very high	95.1	Very high	145 Å²	145	55.7 Å²	55.7	68%	0.678	31%	0.307	S	S	*	.	H	α-helix	trans	-65.7	-47.4	176.9	-173.9	173.8	-170.5	0	0	112.1	A536 Q537 Y542 A543 S544	A536-E540 PolarHBondContact O-N 3.23Å; Q537-E540 PolarHBondContact O-N 3.27Å; E540-Y542 VanDerWaalsContact C-N 3.34Å; E540-Y542 PolarHBondContact O-N 3.45Å; E540-A543 WeakPolarHBondContact O-CB 3.46Å; E540-A543 PolarHBondContact O-N 3.38Å; E540-A543 VanDerWaalsContact O-N 3.11Å; E540-S544 PolarHBondContact O-N 3.34Å
541	L	97.5	Very high	95.1	Very high	38 Å²	38	56.9 Å²	56.9	20%	0.199	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-36.4	176.2	-74.1	174.5	0	0	0	112.6	A126 L129 S130 M158 Q537 S544	A126-L541 HydrophobicContact CB-CB 4Å; A126-L541 WeakPolarHBondContact O-CD1 3.38Å; L129-L541 HydrophobicContact CB-CD1 3.88Å; L129-L541 HydrophobicContact CD2-CD1 3.89Å; L129-L541 HydrophobicContact CD2-CD2 3.95Å; L129-L541 HydrophobicContact CG-CD1 3.67Å; S130-L541 WeakPolarHBondContact OG-CD1 3.43Å; M158-L541 HydrophobicContact SD-CB 4.1Å; Q537-L541 PolarHBondContact O-N 2.62Å; L541-S544 PolarHBondContact O-N 3.16Å; L541-S544 PolarHBondContact O-OG 3.29Å
542	Y	97.9	Very high	95.1	Very high	7 Å²	7	58.2 Å²	58.2	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-63.9	-44.8	170.8	-179.6	-89.5	0	0	0	110.6	P122 Q123 R184 R383 L525 T538 E540 S544 L545	P122-Y542 HydrophobicContact CB-CD2 4.14Å; P122-Y542 HydrophobicContact CB-CE2 3.94Å; Q123-Y542 HydrophobicContact CG-CD2 4.22Å; Q123-Y542 HydrophobicContact CG-CE2 4.22Å; R184-Y542 PolarHBondContact NH1-OH 3.19Å; R184-Y542 VanDerWaalsContact NH1-OH 3.09Å; R383-Y542 HydrophobicContact CB-CE1 3.89Å; R383-Y542 HydrophobicContact CB-CE2 4.37Å; R383-Y542 WeakPolarHBondContact CD-O 3.48Å; R383-Y542 HydrophobicContact CG-CE1 4.47Å; L525-Y542 HydrophobicContact CD1-CD1 4.37Å; L525-Y542 HydrophobicContact CD2-CD1 4.32Å; L525-Y542 HydrophobicContact CD2-CD2 4.03Å; L525-Y542 HydrophobicContact CD2-CG 3.75Å; T538-Y542 WeakPolarHBondContact O-CB 3.38Å; T538-Y542 PolarHBondContact O-N 3.03Å; E540-Y542 VanDerWaalsContact C-N 3.34Å; E540-Y542 PolarHBondContact O-N 3.45Å; Y542-S544 PolarHBondContact O-N 2.89Å; Y542-L545 HydrophobicContact CD2-CD1 4.14Å; Y542-L545 HydrophobicContact CE2-CD1 4.43Å; Y542-L545 VanDerWaalsContact O-CB 3.31Å; Y542-L545 WeakPolarHBondContact O-CB 3.37Å; Y542-L545 WeakPolarHBondContact O-CG 3.4Å; Y542-L545 PolarHBondContact O-N 2.91Å; Y542-L545 VanDerWaalsContact O-N 3.11Å
543	A	96.4	Very high	95	Very high	49 Å²	49	55.5 Å²	55.5	41%	0.405	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-26.3	-179.3	0	0	0	0	0	113.4	R383 S539 E540 L545	R383-A543 PolarHBondContact NE-O 2.96Å; R383-A543 PolarHBondContact NH2-O 3.26Å; S539-A543 VanDerWaalsContact O-CB 3.28Å; S539-A543 WeakPolarHBondContact O-CB 3.27Å; S539-A543 PolarHBondContact O-N 3.38Å; E540-A543 WeakPolarHBondContact O-CB 3.46Å; E540-A543 PolarHBondContact O-N 3.38Å; E540-A543 VanDerWaalsContact O-N 3.11Å; A543-L545 PolarHBondContact O-N 3.41Å
544	S	96.5	Very high	95.2	Very high	80 Å²	80	51.4 Å²	51.4	56%	0.559	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.6	175.8	80.7	0	0	0	0	114	E540 L541 Y542	E540-S544 PolarHBondContact O-N 3.34Å; L541-S544 PolarHBondContact O-N 3.16Å; L541-S544 PolarHBondContact O-OG 3.29Å; Y542-S544 PolarHBondContact O-N 2.89Å
545	L	97.3	Very high	95.2	Very high	10 Å²	10	52 Å²	52	5%	0.052	30%	0.301	C	S	.	.	S	Bend	trans	-63.7	145.2	172.5	-69	172.8	0	0	0	110.6	P122 M158 M381 R383 Y542 A543	P122-L545 HydrophobicContact CB-CD1 3.77Å; M158-L545 HydrophobicContact CB-CD2 3.88Å; M158-L545 HydrophobicContact CE-CD1 3.94Å; M158-L545 HydrophobicContact CE-CD2 3.92Å; M158-L545 HydrophobicContact CE-CG 4.07Å; M158-L545 HydrophobicContact CG-CD2 4.04Å; M158-L545 HydrophobicContact CG-CG 4.5Å; M381-L545 HydrophobicContact CB-CD2 4.35Å; M381-L545 HydrophobicContact CG-CD1 4.2Å; M381-L545 HydrophobicContact CG-CD2 4.15Å; M381-L545 HydrophobicContact SD-CD1 4.49Å; R383-L545 HydrophobicContact CB-CB 4.2Å; R383-L545 HydrophobicContact CB-CD1 4.49Å; R383-L545 HydrophobicContact CG-CB 3.95Å; R383-L545 PolarHBondContact NE-O 3.24Å; Y542-L545 HydrophobicContact CD2-CD1 4.14Å; Y542-L545 HydrophobicContact CE2-CD1 4.43Å; Y542-L545 VanDerWaalsContact O-CB 3.31Å; Y542-L545 WeakPolarHBondContact O-CB 3.37Å; Y542-L545 WeakPolarHBondContact O-CG 3.4Å; Y542-L545 PolarHBondContact O-N 2.91Å; Y542-L545 VanDerWaalsContact O-N 3.11Å; A543-L545 PolarHBondContact O-N 3.41Å
546	P	96.1	Very high	95.4	Very high	61 Å²	61	50.6 Å²	50.6	40%	0.396	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64.5	147.9	176.8	30.2	-36.4	0	0	0	110.6	Y382 R383 F548	Y382-P546 WeakPolarHBondContact CB-O 3.32Å; R383-P546 PolarHBondContact N-O 3.11Å; P546-F548 HydrophobicContact CB-CD2 4.29Å; P546-F548 HydrophobicContact CB-CE2 3.88Å; P546-F548 HydrophobicContact CG-CD2 4.46Å; P546-F548 HydrophobicContact CG-CE2 3.98Å
547	V	95.8	Very high	95.6	Very high	63 Å²	63	51.1 Å²	51.1	38%	0.382	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-94.5	126	-179.4	-175.9	0	0	0	0	109.6	R383 S385	R383-V547 HydrophobicContact CG-CG2 4.25Å; R383-V547 VanDerWaalsContact NH1-CG2 3.33Å; R383-V547 WeakPolarHBondContact O-CA 3.46Å; S385-V547 WeakPolarHBondContact OG-CG1 3.41Å
548	F	95.5	Very high	95.6	Very high	70 Å²	70	52 Å²	52	31%	0.307	29%	0.291	S	S	.	.			trans	-119.9	156.2	175.7	-79.8	-120	0	0	0	109.8	Y382 R383 H384 P546	Y382-F548 HydrophobicContact CD2-CB 3.59Å; Y382-F548 HydrophobicContact CD2-CD2 4.24Å; Y382-F548 AromaticContact CD2-CG 3.95Å; Y382-F548 HydrophobicContact CD2-CG 3.95Å; Y382-F548 HydrophobicContact CE2-CB 3.94Å; Y382-F548 HydrophobicContact CE2-CG 4.45Å; Y382-F548 HydrophobicContact CG-CB 4.15Å; Y382-F548 AromaticContact CG-CD2 3.94Å; Y382-F548 HydrophobicContact CG-CD2 3.94Å; Y382-F548 AromaticContact CG-CG 3.99Å; Y382-F548 HydrophobicContact CG-CG 3.99Å; R383-F548 PolarHBondContact O-N 3.2Å; H384-F548 PolarHBondContact CD2-O 3.18Å; P546-F548 HydrophobicContact CB-CD2 4.29Å; P546-F548 HydrophobicContact CB-CE2 3.88Å; P546-F548 HydrophobicContact CG-CD2 4.46Å; P546-F548 HydrophobicContact CG-CE2 3.98Å
549	E	95	Very high	95.7	Very high	58 Å²	58	52.3 Å²	52.3	27%	0.271	29%	0.292	S	S	.	.			trans	-89.6	144.5	170.2	-63.4	-69	159.4	0	0	109.3	K398 S552	K398-E549 IonicContact NZ-OE1 2.66Å; K398-E549 PolarHBondContact NZ-OE1 3.42Å; K398-E549 IonicContact NZ-OE2 3.39Å; K398-E549 PolarHBondContact NZ-OE2 3.39Å; E549-S552 WeakPolarHBondContact O-CB 3.44Å; E549-S552 PolarHBondContact O-N 3.29Å; E549-S552 PolarHBondContact O-OG 3.44Å
550	P	94.9	Very high	95.7	Very high	21 Å²	21	50.9 Å²	50.9	14%	0.136	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	143	171.6	-23.3	34.4	0	0	0	110.7	L188 C395 S552	L188-P550 HydrophobicContact CB-CB 4.2Å; L188-P550 HydrophobicContact CB-CG 3.87Å; L188-P550 HydrophobicContact CD1-CG 3.98Å; C395-P550 HydrophobicContact CB-CG 4.26Å; P550-S552 PolarHBondContact O-N 3.44Å; P550-S552 VanDerWaalsContact O-N 3.12Å
551	M	94	Very high	95.8	Very high	30 Å²	30	49.1 Å²	49.1	15%	0.148	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	17.8	-179.5	-50.3	-62.6	-72.8	0	0	114.9	Y189 V556 K557 Y560	Y189-M551 HydrophobicContact CD1-CE 4.26Å; Y189-M551 HydrophobicContact CD1-CG 4.06Å; Y189-M551 HydrophobicContact CD1-SD 4.08Å; Y189-M551 HydrophobicContact CD2-CG 3.53Å; Y189-M551 HydrophobicContact CE1-CE 4.43Å; Y189-M551 HydrophobicContact CE2-CG 4.16Å; Y189-M551 HydrophobicContact CG-CG 3.47Å; Y189-M551 VanDerWaalsContact CG-CG 3.47Å; Y189-M551 HydrophobicContact CG-SD 3.97Å; M551-V556 HydrophobicContact CE-CG1 4.36Å; M551-V556 HydrophobicContact SD-CG1 3.41Å; M551-V556 WeakPolarHBondContact SD-CG1 3.37Å; M551-K557 HydrophobicContact CE-CG 4.31Å; M551-K557 WeakPolarHBondContact O-CE 3.16Å; M551-Y560 HydrophobicContact CE-CD1 4.17Å; M551-Y560 HydrophobicContact CE-CD2 4.28Å; M551-Y560 HydrophobicContact CE-CG 3.8Å
552	S	92.5	Very high	95.7	Very high	55 Å²	55	49.9 Å²	49.9	39%	0.385	27%	0.272	S	S	.	.			trans	-77.8	-27.3	179.1	57.9	0	0	0	0	113.9	E549 P550	E549-S552 WeakPolarHBondContact O-CB 3.44Å; E549-S552 PolarHBondContact O-N 3.29Å; E549-S552 PolarHBondContact O-OG 3.44Å; P550-S552 PolarHBondContact O-N 3.44Å; P550-S552 VanDerWaalsContact O-N 3.12Å
553	N	89.6	Confident	95.7	Very high	35 Å²	35	49.6 Å²	49.6	19%	0.187	27%	0.271	C	S	.	.	S	Bend	trans	-97.8	150.2	179.7	76.1	45.8	0	0	0	112	Y382 L555 V556 K557	Y382-N553 PolarHBondContact OH-ND2 3.03Å; N553-L555 VanDerWaalsContact C-N 3.33Å; N553-L555 PolarHBondContact O-N 3.4Å; N553-L555 WeakPolarHBondContact OD1-CB 3.41Å; N553-L555 PolarHBondContact OD1-N 2.85Å; N553-V556 PolarHBondContact O-N 2.89Å; N553-V556 VanDerWaalsContact OD1-CB 3.26Å; N553-V556 WeakPolarHBondContact OD1-CB 3.49Å; N553-V556 WeakPolarHBondContact OD1-CG2 3.41Å; N553-V556 PolarHBondContact OD1-N 3.5Å; N553-K557 PolarHBondContact O-N 3.23Å
554	D	93.4	Very high	95.8	Very high	104 Å²	104	52 Å²	52	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-73.2	-25.3	-176.1	-63.3	-30.3	0	0	0	112.9	V556 K557 N558	D554-V556 PolarHBondContact O-N 2.71Å; D554-K557 PolarHBondContact O-N 3.22Å; D554-K557 IonicContact OD1-NZ 2.68Å; D554-K557 PolarHBondContact OD1-NZ 3.5Å; D554-K557 VanDerWaalsContact OD1-NZ 3.13Å; D554-N558 VanDerWaalsContact O-CB 3.26Å; D554-N558 WeakPolarHBondContact O-CB 3.34Å; D554-N558 PolarHBondContact O-N 3.35Å; D554-N558 PolarHBondContact O-ND2 2.66Å; D554-N558 VanDerWaalsContact O-ND2 3.14Å
555	L	94	Very high	95.8	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-55	-53.5	172.5	168.6	61.3	0	0	0	110.6	W182 I354 F355 L379 N553 N558 L559	W182-L555 HydrophobicContact CB-CD2 4.5Å; I354-L555 HydrophobicContact CG2-CD1 3.73Å; I354-L555 WeakPolarHBondContact O-CD1 3.45Å; F355-L555 HydrophobicContact CD1-CD2 4.42Å; L379-L555 HydrophobicContact CD1-CD2 3.28Å; N553-L555 VanDerWaalsContact C-N 3.33Å; N553-L555 PolarHBondContact O-N 3.4Å; N553-L555 WeakPolarHBondContact OD1-CB 3.41Å; N553-L555 PolarHBondContact OD1-N 2.85Å; L555-N558 PolarHBondContact O-N 3.48Å; L555-L559 HydrophobicContact CD1-CD1 3.71Å; L555-L559 HydrophobicContact CD1-CG 3.88Å; L555-L559 HydrophobicContact CG-CD1 3.94Å; L555-L559 HydrophobicContact CG-CG 4.45Å; L555-L559 WeakPolarHBondContact O-CB 3.41Å; L555-L559 WeakPolarHBondContact O-CG 3.16Å; L555-L559 PolarHBondContact O-N 2.98Å
556	V	96.7	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-42.8	-175.4	172.4	0	0	0	0	110.1	W182 D185 I186 M551 N553 D554 N558 L559 Y560	W182-V556 HydrophobicContact CB-CG2 3.67Å; D185-V556 HydrophobicContact CB-CB 4.41Å; D185-V556 HydrophobicContact CB-CG1 3.64Å; D185-V556 HydrophobicContact CB-CG2 3.99Å; I186-V556 HydrophobicContact CG1-CG1 3.88Å; M551-V556 HydrophobicContact CE-CG1 4.36Å; M551-V556 HydrophobicContact SD-CG1 3.41Å; M551-V556 WeakPolarHBondContact SD-CG1 3.37Å; N553-V556 PolarHBondContact O-N 2.89Å; N553-V556 VanDerWaalsContact OD1-CB 3.26Å; N553-V556 WeakPolarHBondContact OD1-CB 3.49Å; N553-V556 WeakPolarHBondContact OD1-CG2 3.41Å; N553-V556 PolarHBondContact OD1-N 3.5Å; D554-V556 PolarHBondContact O-N 2.71Å; V556-N558 PolarHBondContact O-N 2.87Å; V556-L559 PolarHBondContact O-N 3.36Å; V556-Y560 VanDerWaalsContact O-CB 3.28Å; V556-Y560 WeakPolarHBondContact O-CB 3.27Å; V556-Y560 PolarHBondContact O-N 2.9Å
557	K	97.5	Very high	95.7	Very high	84 Å²	84	54.8 Å²	54.8	37%	0.365	28%	0.278	S	S	.	.	H	α-helix	trans	-58.9	-47.4	174.7	-63.9	175.5	-161.5	158.3	0	111.5	M551 N553 D554 L559 Y560 E561	M551-K557 HydrophobicContact CE-CG 4.31Å; M551-K557 WeakPolarHBondContact O-CE 3.16Å; N553-K557 PolarHBondContact O-N 3.23Å; D554-K557 PolarHBondContact O-N 3.22Å; D554-K557 IonicContact OD1-NZ 2.68Å; D554-K557 PolarHBondContact OD1-NZ 3.5Å; D554-K557 VanDerWaalsContact OD1-NZ 3.13Å; K557-L559 PolarHBondContact O-N 3.38Å; K557-Y560 PolarHBondContact O-N 2.79Å; K557-E561 WeakPolarHBondContact O-CG 3.41Å; K557-E561 PolarHBondContact O-N 3.07Å
558	N	97.4	Very high	95.7	Very high	112 Å²	112	56.4 Å²	56.4	60%	0.599	29%	0.29	S	S	*	.	H	α-helix	trans	-64.6	-40.4	179.6	-70.1	-22.6	0	0	0	112	D554 L555 V556 Y562	D554-N558 VanDerWaalsContact O-CB 3.26Å; D554-N558 WeakPolarHBondContact O-CB 3.34Å; D554-N558 PolarHBondContact O-N 3.35Å; D554-N558 PolarHBondContact O-ND2 2.66Å; D554-N558 VanDerWaalsContact O-ND2 3.14Å; L555-N558 PolarHBondContact O-N 3.48Å; V556-N558 PolarHBondContact O-N 2.87Å; N558-Y562 VanDerWaalsContact O-CB 3.23Å; N558-Y562 WeakPolarHBondContact O-CB 3.24Å; N558-Y562 PolarHBondContact O-N 2.74Å
559	L	97.4	Very high	95.7	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-63.9	-43.6	174.4	-74.9	176	0	0	0	111.4	W182 I186 V261 L265 I354 F355 L555 V556 K557 Y562 I563	W182-L559 HydrophobicContact CD2-CD1 4.21Å; W182-L559 HydrophobicContact CE3-CD1 3.66Å; W182-L559 HydrophobicContact CZ3-CD1 4.03Å; I186-L559 HydrophobicContact CD1-CB 4.4Å; V261-L559 HydrophobicContact CG1-CD2 4.16Å; L265-L559 HydrophobicContact CD1-CD2 3.78Å; I354-L559 HydrophobicContact CG2-CD2 3.92Å; F355-L559 HydrophobicContact CE1-CD1 4.37Å; L555-L559 HydrophobicContact CD1-CD1 3.71Å; L555-L559 HydrophobicContact CD1-CG 3.88Å; L555-L559 HydrophobicContact CG-CD1 3.94Å; L555-L559 HydrophobicContact CG-CG 4.45Å; L555-L559 WeakPolarHBondContact O-CB 3.41Å; L555-L559 WeakPolarHBondContact O-CG 3.16Å; L555-L559 PolarHBondContact O-N 2.98Å; V556-L559 PolarHBondContact O-N 3.36Å; K557-L559 PolarHBondContact O-N 3.38Å; L559-Y562 WeakPolarHBondContact O-CB 3.34Å; L559-Y562 PolarHBondContact O-N 3.48Å; L559-I563 WeakPolarHBondContact O-CD1 3.16Å; L559-I563 WeakPolarHBondContact O-CG1 3.42Å; L559-I563 PolarHBondContact O-N 3.18Å
560	Y	98	Very high	95.8	Very high	14 Å²	14	56.6 Å²	56.6	6%	0.055	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-49.2	178.3	-173	-90.7	0	0	0	112	I186 Y189 E190 M551 V556 K557 Y562 I563 K564 L570 L573	I186-Y560 HydrophobicContact CG2-CD2 4.06Å; I186-Y560 HydrophobicContact CG2-CE2 4.44Å; Y189-Y560 HydrophobicContact CD1-CD2 4.45Å; Y189-Y560 AromaticContact CD1-CE2 3.91Å; Y189-Y560 HydrophobicContact CD1-CE2 3.91Å; Y189-Y560 HydrophobicContact CE1-CE1 4.17Å; Y189-Y560 HydrophobicContact CE1-CE2 4.2Å; Y189-Y560 AromaticContact CE1-CZ 3.83Å; E190-Y560 HydrophobicContact CG-CE2 4.05Å; E190-Y560 WeakPolarHBondContact OE1-CE2 3.46Å; E190-Y560 PolarHBondContact OE1-OH 3.04Å; M551-Y560 HydrophobicContact CE-CD1 4.17Å; M551-Y560 HydrophobicContact CE-CD2 4.28Å; M551-Y560 HydrophobicContact CE-CG 3.8Å; V556-Y560 VanDerWaalsContact O-CB 3.28Å; V556-Y560 WeakPolarHBondContact O-CB 3.27Å; V556-Y560 PolarHBondContact O-N 2.9Å; K557-Y560 PolarHBondContact O-N 2.79Å; Y560-Y562 VanDerWaalsContact C-N 3.3Å; Y560-Y562 PolarHBondContact O-N 3.4Å; Y560-I563 PolarHBondContact O-N 3.02Å; Y560-K564 PolarHBondContact O-N 2.75Å; Y560-L570 WeakPolarHBondContact OH-CD1 3.25Å; Y560-L573 HydrophobicContact CD2-CD1 4.29Å; Y560-L573 HydrophobicContact CE2-CD1 3.89Å
561	E	97.7	Very high	95.8	Very high	109 Å²	109	61.4 Å²	61.4	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-37	175.2	-70.1	-56.2	143.9	0	0	112.2	K557 K564 S565	K557-E561 WeakPolarHBondContact O-CG 3.41Å; K557-E561 PolarHBondContact O-N 3.07Å; E561-K564 PolarHBondContact O-N 2.86Å; E561-S565 WeakPolarHBondContact O-CB 3.46Å; E561-S565 PolarHBondContact O-N 3.04Å
562	Y	97.2	Very high	95.9	Very high	54 Å²	54	62.6 Å²	62.6	21%	0.212	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-44.6	173.9	179.4	-100.2	0	0	0	111.9	L264 L265 N558 L559 Y560 S565 K566	L264-Y562 HydrophobicContact CD2-CD1 4.16Å; L264-Y562 HydrophobicContact CD2-CE1 3.82Å; L264-Y562 HydrophobicContact CG-CE1 3.92Å; L265-Y562 HydrophobicContact CD2-CD1 3.83Å; L265-Y562 HydrophobicContact CD2-CE1 3.48Å; L265-Y562 VanDerWaalsContact CD2-CE1 3.48Å; L265-Y562 HydrophobicContact CG-CE1 4.38Å; N558-Y562 VanDerWaalsContact O-CB 3.23Å; N558-Y562 WeakPolarHBondContact O-CB 3.24Å; N558-Y562 PolarHBondContact O-N 2.74Å; L559-Y562 WeakPolarHBondContact O-CB 3.34Å; L559-Y562 PolarHBondContact O-N 3.48Å; Y560-Y562 VanDerWaalsContact C-N 3.3Å; Y560-Y562 PolarHBondContact O-N 3.4Å; Y562-S565 PolarHBondContact O-N 2.94Å; Y562-S565 PolarHBondContact O-OG 2.96Å; Y562-K566 HydrophobicContact CE1-CG 4.12Å; Y562-K566 HydrophobicContact CE2-CG 4.29Å; Y562-K566 WeakPolarHBondContact O-CG 3.48Å; Y562-K566 PolarHBondContact O-N 3.45Å
563	I	97.3	Very high	96.1	Very high	1 Å²	1	60 Å²	60	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-50	175.6	-66.9	157.7	0	0	0	109.7	I186 V261 L264 L559 Y560 S565 K566 D567 L570 L573	I186-I563 HydrophobicContact CD1-CD1 3.96Å; V261-I563 HydrophobicContact CG1-CD1 4.4Å; V261-I563 HydrophobicContact CG2-CD1 3.38Å; V261-I563 HydrophobicContact CG2-CG1 3.98Å; L264-I563 HydrophobicContact CD2-CG1 4.28Å; L559-I563 WeakPolarHBondContact O-CD1 3.16Å; L559-I563 WeakPolarHBondContact O-CG1 3.42Å; L559-I563 PolarHBondContact O-N 3.18Å; Y560-I563 PolarHBondContact O-N 3.02Å; I563-S565 PolarHBondContact O-N 3.46Å; I563-K566 CarbonylContact O-C 3.57Å; I563-K566 PolarHBondContact O-N 3.42Å; I563-D567 PolarHBondContact O-N 3.35Å; I563-L570 HydrophobicContact CG2-CD2 4.11Å; I563-L573 HydrophobicContact CD1-CD2 4.18Å; I563-L573 HydrophobicContact CG2-CD1 4.27Å; I563-L573 HydrophobicContact CG2-CD2 4.34Å; I563-L573 HydrophobicContact CG2-CG 4.13Å
564	K	97.3	Very high	96.5	Very high	98 Å²	98	60.9 Å²	60.9	43%	0.426	30%	0.303	S	S	.	.	H	α-helix	trans	-57.9	-35.6	177.5	-168.4	175.2	-178.5	176.9	0	112.8	Y560 E561 K566 D567 P568 L570	Y560-K564 PolarHBondContact O-N 2.75Å; E561-K564 PolarHBondContact O-N 2.86Å; K564-K566 VanDerWaalsContact C-N 3.31Å; K564-K566 PolarHBondContact O-N 3.01Å; K564-D567 CarbonylContact O-C 3.51Å; K564-P568 VanDerWaalsContact O-CA 3.3Å; K564-P568 WeakPolarHBondContact O-CA 3.38Å; K564-L570 HydrophobicContact CB-CD2 4.07Å; K564-L570 HydrophobicContact CG-CD2 4.35Å
565	S	97.5	Very high	96.6	Very high	78 Å²	78	56.4 Å²	56.4	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-27.3	175.3	82.5	0	0	0	0	113.8	E561 Y562 I563	E561-S565 WeakPolarHBondContact O-CB 3.46Å; E561-S565 PolarHBondContact O-N 3.04Å; Y562-S565 PolarHBondContact O-N 2.94Å; Y562-S565 PolarHBondContact O-OG 2.96Å; I563-S565 PolarHBondContact O-N 3.46Å
566	K	95.3	Very high	96.6	Very high	117 Å²	117	59.6 Å²	59.6	51%	0.509	30%	0.3	S	S	.	.	H	α-helix	trans	-95.7	-24.7	-179.3	-66.2	-56.7	-177.5	-173.4	0	113.3	L264 Y562 I563 K564	L264-K566 HydrophobicContact CD1-CB 4.24Å; L264-K566 HydrophobicContact CD1-CG 4.36Å; L264-K566 HydrophobicContact CD2-CB 4.16Å; L264-K566 HydrophobicContact CD2-CG 4.31Å; Y562-K566 HydrophobicContact CE1-CG 4.12Å; Y562-K566 HydrophobicContact CE2-CG 4.29Å; Y562-K566 WeakPolarHBondContact O-CG 3.48Å; Y562-K566 PolarHBondContact O-N 3.45Å; I563-K566 CarbonylContact O-C 3.57Å; I563-K566 PolarHBondContact O-N 3.42Å; K564-K566 VanDerWaalsContact C-N 3.31Å; K564-K566 PolarHBondContact O-N 3.01Å
567	D	95.1	Very high	96.3	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.08	30%	0.304	C	S	.	.			trans	-147.5	81.5	-176.9	176.7	36.5	0	0	0	108.9	I563 K564 D569 L570 K571 Y572	I563-D567 PolarHBondContact O-N 3.35Å; K564-D567 CarbonylContact O-C 3.51Å; D567-D569 PolarHBondContact O-N 3.01Å; D567-L570 WeakPolarHBondContact O-CA 3.32Å; D567-L570 PolarHBondContact O-N 2.91Å; D567-L570 WeakPolarHBondContact OD2-CA 3.44Å; D567-K571 WeakPolarHBondContact OD2-CA 3.49Å; D567-K571 PolarHBondContact OD2-N 3.17Å; D567-Y572 HydrophobicContact CB-CD2 3.53Å; D567-Y572 HydrophobicContact CB-CE2 3.65Å; D567-Y572 HydrophobicContact CB-CG 4.13Å; D567-Y572 WeakPolarHBondContact OD2-CB 3.45Å; D567-Y572 PolarHBondContact OD2-N 2.84Å
568	P	96.5	Very high	95.8	Very high	97 Å²	97	61.9 Å²	61.9	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-26.1	-175	-27.3	36.3	0	0	0	114.7	K564 L570	K564-P568 VanDerWaalsContact O-CA 3.3Å; K564-P568 WeakPolarHBondContact O-CA 3.38Å; P568-L570 VanDerWaalsContact C-N 3.28Å
569	D	95.4	Very high	95	Very high	111 Å²	111	59.1 Å²	59.1	59%	0.594	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-1.2	176.4	-61.6	-27.2	0	0	0	112.6	D567 K571	D567-D569 PolarHBondContact O-N 3.01Å; D569-K571 HydrophobicContact CB-CD 4.28Å; D569-K571 HydrophobicContact CB-CG 4.05Å; D569-K571 PolarHBondContact O-N 2.85Å; D569-K571 VanDerWaalsContact O-N 3.11Å; D569-K571 WeakPolarHBondContact OD2-CE 3.3Å; D569-K571 IonicContact OD2-NZ 3.51Å; D569-K571 PolarHBondContact OD2-NZ 2.72Å
570	L	96.5	Very high	93.8	Very high	21 Å²	21	61.8 Å²	61.8	11%	0.11	31%	0.313	C	S	.	.			trans	52.9	30.4	-179.4	-56.8	176.1	0	0	0	114.4	Y560 I563 K564 D567 P568 Y572 L573 H574	Y560-L570 WeakPolarHBondContact OH-CD1 3.25Å; I563-L570 HydrophobicContact CG2-CD2 4.11Å; K564-L570 HydrophobicContact CB-CD2 4.07Å; K564-L570 HydrophobicContact CG-CD2 4.35Å; D567-L570 WeakPolarHBondContact O-CA 3.32Å; D567-L570 PolarHBondContact O-N 2.91Å; D567-L570 WeakPolarHBondContact OD2-CA 3.44Å; P568-L570 VanDerWaalsContact C-N 3.28Å; L570-Y572 PolarHBondContact O-N 3.47Å; L570-L573 HydrophobicContact CB-CD1 4.44Å; L570-L573 HydrophobicContact CD2-CD1 4.08Å; L570-L573 PolarHBondContact O-N 3.34Å; L570-H574 PolarHBondContact O-N 3.26Å; L570-H574 PolarHBondContact O-ND1 2.9Å
571	K	95.3	Very high	92	Very high	123 Å²	123	65.8 Å²	65.8	54%	0.535	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-27.6	173.4	-68.5	170.3	-175.7	147.1	0	113.1	R252 D567 D569 L573 H574	R252-K571 PolarHBondContact NH2-O 3.02Å; D567-K571 WeakPolarHBondContact OD2-CA 3.49Å; D567-K571 PolarHBondContact OD2-N 3.17Å; D569-K571 HydrophobicContact CB-CD 4.28Å; D569-K571 HydrophobicContact CB-CG 4.05Å; D569-K571 PolarHBondContact O-N 2.85Å; D569-K571 VanDerWaalsContact O-N 3.11Å; D569-K571 WeakPolarHBondContact OD2-CE 3.3Å; D569-K571 IonicContact OD2-NZ 3.51Å; D569-K571 PolarHBondContact OD2-NZ 2.72Å; K571-L573 VanDerWaalsContact C-N 3.25Å; K571-L573 PolarHBondContact O-N 3.29Å; K571-H574 PolarHBondContact O-N 3.01Å
572	Y	95.5	Very high	89.8	Confident	55 Å²	55	66.3 Å²	66.3	22%	0.216	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21	174.2	-68.5	-19.8	0	0	0	113.5	R252 R260 L264 V292 D567 L570	R252-Y572 WeakPolarHBondContact CD-O 3.3Å; R252-Y572 PolarHBondContact NE-O 3.42Å; R260-Y572 HydrophobicContact CG-CD1 4.3Å; R260-Y572 HydrophobicContact CG-CG 4.04Å; L264-Y572 HydrophobicContact CD1-CE2 3.82Å; L264-Y572 HydrophobicContact CD2-CD2 4.16Å; L264-Y572 HydrophobicContact CD2-CE2 4.19Å; V292-Y572 HydrophobicContact CG1-CE1 4.25Å; D567-Y572 HydrophobicContact CB-CD2 3.53Å; D567-Y572 HydrophobicContact CB-CE2 3.65Å; D567-Y572 HydrophobicContact CB-CG 4.13Å; D567-Y572 WeakPolarHBondContact OD2-CB 3.45Å; D567-Y572 PolarHBondContact OD2-N 2.84Å; L570-Y572 PolarHBondContact O-N 3.47Å
573	L	97.8	Very high	87.5	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.005	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-8.6	177.6	-57.3	-175.5	0	0	0	112.7	I186 E190 V251 R252 I257 Y560 I563 L570 K571	I186-L573 HydrophobicContact CG2-CD1 3.78Å; I186-L573 HydrophobicContact CG2-CD2 3.78Å; I186-L573 HydrophobicContact CG2-CG 4.42Å; E190-L573 HydrophobicContact CG-CB 4.37Å; E190-L573 HydrophobicContact CG-CD1 3.73Å; V251-L573 WeakPolarHBondContact CA-O 3.44Å; R252-L573 WeakPolarHBondContact CG-O 3.24Å; R252-L573 PolarHBondContact N-O 3.27Å; I257-L573 HydrophobicContact CD1-CD2 4.34Å; I257-L573 HydrophobicContact CG1-CD2 4.19Å; I257-L573 HydrophobicContact CG2-CD2 4.14Å; Y560-L573 HydrophobicContact CD2-CD1 4.29Å; Y560-L573 HydrophobicContact CE2-CD1 3.89Å; I563-L573 HydrophobicContact CD1-CD2 4.18Å; I563-L573 HydrophobicContact CG2-CD1 4.27Å; I563-L573 HydrophobicContact CG2-CD2 4.34Å; I563-L573 HydrophobicContact CG2-CG 4.13Å; L570-L573 HydrophobicContact CB-CD1 4.44Å; L570-L573 HydrophobicContact CD2-CD1 4.08Å; L570-L573 PolarHBondContact O-N 3.34Å; K571-L573 VanDerWaalsContact C-N 3.25Å; K571-L573 PolarHBondContact O-N 3.29Å
574	H	97.5	Very high	84.8	Confident	53 Å²	53	75.4 Å²	75.4	25%	0.245	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-118.8	156.6	-177	-63.2	87.8	0	0	0	112.4	E190 N250 R252 L570 K571	E190-H574 IonicContact OE2-CE1 3.34Å; E190-H574 PolarHBondContact OE2-CE1 3.31Å; E190-H574 IonicContact OE2-NE2 2.65Å; N250-H574 CarbonylContact O-C 3.51Å; N250-H574 VanDerWaalsContact O-CA 3.23Å; N250-H574 WeakPolarHBondContact O-CA 3.37Å; R252-H574 PolarHBondContact NE-O 2.95Å; R252-H574 PolarHBondContact NH2-O 3.11Å; L570-H574 PolarHBondContact O-N 3.26Å; L570-H574 PolarHBondContact O-ND1 2.9Å; K571-H574 PolarHBondContact O-N 3.01Å
575	T	96	Very high	82.1	Confident	9 Å²	9	72.6 Å²	72.6	6%	0.055	38%	0.378	C	S	.	.			trans	-141.8	177.3	173.8	-168.2	0	0	0	0	109.1	N250 R252 F290 Y577	N250-T575 VanDerWaalsContact CB-O 3.29Å; N250-T575 WeakPolarHBondContact CB-O 3.38Å; N250-T575 PolarHBondContact O-N 3.36Å; N250-T575 PolarHBondContact OD1-O 2.78Å; R252-T575 HydrophobicContact CG-CG2 4.45Å; F290-T575 HydrophobicContact CE1-CG2 3.9Å; F290-T575 HydrophobicContact CZ-CG2 3.93Å; T575-Y577 HydrophobicContact CG2-CE1 4.11Å; T575-Y577 HydrophobicContact CG2-CE2 3.88Å; T575-Y577 VanDerWaalsContact CG2-OH 3.23Å; T575-Y577 WeakPolarHBondContact CG2-OH 3.4Å
576	T	93	Very high	79.4	Confident	95 Å²	95	76.3 Å²	76.3	58%	0.583	39%	0.39	S	S	*	.			trans	-130.2	147.7	174.9	58.1	0	0	0	0	109.5
577	Y	91.3	Very high	76.6	Confident	18 Å²	18	75 Å²	75	7%	0.071	39%	0.388	C	S	.	.			trans	-111.7	154.9	176.1	-55.4	-77.2	0	0	0	109.6	S215 I221 I245 I248 S249 T575	S215-Y577 VanDerWaalsContact CB-OH 3.29Å; S215-Y577 WeakPolarHBondContact CB-OH 3.07Å; I221-Y577 HydrophobicContact CB-CE1 4.42Å; I221-Y577 HydrophobicContact CD1-CD1 4.05Å; I221-Y577 HydrophobicContact CD1-CE1 3.7Å; I221-Y577 HydrophobicContact CD1-CE2 4.36Å; I221-Y577 HydrophobicContact CG1-CD1 4.46Å; I221-Y577 HydrophobicContact CG1-CE1 3.92Å; I221-Y577 HydrophobicContact CG2-CD1 3.5Å; I221-Y577 VanDerWaalsContact CG2-CD1 3.5Å; I221-Y577 HydrophobicContact CG2-CE1 3.6Å; I245-Y577 VanDerWaalsContact CG2-O 3.24Å; I245-Y577 WeakPolarHBondContact CG2-O 3.19Å; I248-Y577 HydrophobicContact CB-CD2 4.15Å; I248-Y577 HydrophobicContact CG2-CD2 3.58Å; I248-Y577 HydrophobicContact CG2-CE2 3.58Å; I248-Y577 HydrophobicContact CG2-CG 4.37Å; S249-Y577 VanDerWaalsContact O-CE2 3.3Å; S249-Y577 WeakPolarHBondContact O-CE2 3.46Å; T575-Y577 HydrophobicContact CG2-CE1 4.11Å; T575-Y577 HydrophobicContact CG2-CE2 3.88Å; T575-Y577 VanDerWaalsContact CG2-OH 3.23Å; T575-Y577 WeakPolarHBondContact CG2-OH 3.4Å
578	K	86.2	Confident	73.8	Confident	113 Å²	113	78.7 Å²	78.7	49%	0.491	41%	0.413	S	S	.	.			trans	-139.8	144.8	-179.5	66.7	-163.5	179.5	-148	0	110.8	E225 E289 V580	E225-K578 WeakPolarHBondContact CB-O 3.03Å; E225-K578 WeakPolarHBondContact CG-O 3.04Å; E225-K578 PolarHBondContact OE1-N 3.28Å; E289-K578 IonicContact OE1-NZ 2.66Å; E289-K578 PolarHBondContact OE1-NZ 2.97Å; K578-V580 PolarHBondContact O-N 2.95Å
579	T	81.5	Confident	71	Confident	54 Å²	54	78.9 Å²	78.9	33%	0.331	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-64.3	126.4	170.7	-57.4	0	0	0	0	109	E225 P228	E225-T579 WeakPolarHBondContact O-CA 3.39Å; P228-T579 HydrophobicContact CB-CG2 3.82Å; P228-T579 HydrophobicContact CG-CG2 4.06Å
580	V	71.9	Confident	68.1	Low	61 Å²	61	77.2 Å²	77.2	37%	0.37	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-90	118.5	170.8	178	0	0	0	0	106.7	E225 K578 K582	E225-V580 HydrophobicContact CB-CG2 4.16Å; E225-V580 PolarHBondContact O-N 3.36Å; K578-V580 PolarHBondContact O-N 2.95Å; V580-K582 PolarHBondContact O-N 2.75Å
581	P	59.8	Low	65.1	Low	98 Å²	98	80.2 Å²	80.2	64%	0.636	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-60.7	138.8	178.8	24.5	-32.6	0	0	0	109.9	I583	P581-I583 PolarHBondContact O-N 3.37Å
582	K	52.6	Low	62	Low	120 Å²	120	86 Å²	86	52%	0.522	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.9	120.2	171.3	-168.6	-178	-179.2	-168.6	0	107.9	P228 V580 E584	P228-K582 HydrophobicContact CG-CB 4.43Å; V580-K582 PolarHBondContact O-N 2.75Å; K582-E584 PolarHBondContact O-N 3.47Å; K582-E584 VanDerWaalsContact O-N 3.15Å
583	I	49.2	Very low	59.1	Low	113 Å²	113	98 Å²	98	58%	0.579	50%	0.498	S	S	*	.			trans	-73.4	104.3	169	-57.3	173.9	0	0	0	105.5	P581 I585	P581-I583 PolarHBondContact O-N 3.37Å; I583-I585 HydrophobicContact CG2-CG1 4.43Å
584	E	39.8	Very low	57.1	Low	134 Å²	134	102.9 Å²	102.9	63%	0.626	52%	0.523	S	S	*	.			trans	-82.1	112.3	169.1	-69.9	-172.4	161.7	0	0	108.2	K582 I586	K582-E584 PolarHBondContact O-N 3.47Å; K582-E584 VanDerWaalsContact O-N 3.15Å; E584-I586 PolarHBondContact O-N 3.18Å; E584-I586 VanDerWaalsContact O-N 3.12Å
585	I	39.5	Very low	55	Low	38 Å²	38	105.5 Å²	105.5	20%	0.195	54%	0.537	C	S	.	.			trans	-77	101.2	166.6	-62.2	-138.7	0	0	0	108.3	D20 I583 N587	D20-I585 HydrophobicContact CB-CB 3.81Å; D20-I585 HydrophobicContact CB-CD1 3.4Å; D20-I585 HydrophobicContact CB-CG1 3.34Å; D20-I585 HydrophobicContact CB-CG2 4.48Å; D20-I585 VanDerWaalsContact OD2-CB 3.3Å; D20-I585 WeakPolarHBondContact OD2-CB 3.28Å; I583-I585 HydrophobicContact CG2-CG1 4.43Å; I585-N587 PolarHBondContact O-N 3.4Å
586	I	41.5	Very low	52.7	Low	157 Å²	157	110.9 Å²	110.9	81%	0.805	56%	0.564	S	S	*	*	S	Bend	trans	-68.9	-14.7	-177.7	-59.2	173.2	0	0	0	111.4	E584	E584-I586 PolarHBondContact O-N 3.18Å; E584-I586 VanDerWaalsContact O-N 3.12Å
587	N	36	Very low	50.4	Low	88 Å²	88	111.8 Å²	111.8	47%	0.471	56%	0.563	S	S	.	*			trans	-153.3	102.5	177.2	-162.2	-14.5	0	0	0	114.8	I585 S589 A590	I585-N587 PolarHBondContact O-N 3.4Å; N587-S589 PolarHBondContact O-N 3.12Å; N587-S589 VanDerWaalsContact O-N 3.16Å; N587-S589 WeakPolarHBondContact OD1-CB 3.43Å; N587-S589 PolarHBondContact OD1-N 3.29Å; N587-S589 PolarHBondContact OD1-OG 3.05Å; N587-A590 PolarHBondContact O-N 3.45Å
588	P	37.5	Very low	47.8	Very low	94 Å²	94	117.7 Å²	117.7	61%	0.61	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-59.5	-23.3	173.7	-21	31	0	0	0	113.9	A590 L591	P588-A590 PolarHBondContact O-N 2.75Å; P588-L591 PolarHBondContact O-N 3.33Å
589	S	36.5	Very low	45.2	Very low	100 Å²	100	118 Å²	118	70%	0.699	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-75	-9.7	-179	-37.8	0	0	0	0	114	N587 L591	N587-S589 PolarHBondContact O-N 3.12Å; N587-S589 VanDerWaalsContact O-N 3.16Å; N587-S589 WeakPolarHBondContact OD1-CB 3.43Å; N587-S589 PolarHBondContact OD1-N 3.29Å; N587-S589 PolarHBondContact OD1-OG 3.05Å; S589-L591 PolarHBondContact O-N 3.48Å
590	A	34.8	Very low	42.6	Very low	77 Å²	77	122.6 Å²	122.6	64%	0.636	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-74.1	-11.6	175.4	0	0	0	0	0	112.7	N587 P588 R592	N587-A590 PolarHBondContact O-N 3.45Å; P588-A590 PolarHBondContact O-N 2.75Å; A590-R592 PolarHBondContact O-N 2.88Å
591	L	33.2	Very low	40.4	Very low	84 Å²	84	127.3 Å²	127.3	44%	0.44	64%	0.639	S	S	.	*			trans	-80.4	94.6	172.9	-74.5	156.2	0	0	0	110	P588 S589	P588-L591 PolarHBondContact O-N 3.33Å; S589-L591 PolarHBondContact O-N 3.48Å
592	R	30.7	Very low	38.8	Very low	245 Å²	245	129.8 Å²	129.8	93%	0.925	64%	0.639	S	S	*	*			trans	-84.1	114.8	153.8	-75.3	-170.5	-179.5	-169.5	1.1	107.2	A590	A590-R592 PolarHBondContact O-N 2.88Å
593	W	34	Very low	37.5	Very low	307 Å²	307	130.6 Å²	130.6	100%	1.163	65%	0.65	S	S	*	*			trans	-59.2	0	176.1	-68.6	90.1	0	0	0	112.9

Retrieved 593 of 593 residues in 839.5 ms (Link to these results)

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