A0A077Z0X1_TRITR Loading...

DNA polymerase II subunit 2

AlphaFold DB , UniProt , Accession A0A077Z0X1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 670 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	32.7	Very low	29.9	Very low	224 Å²	224	150.1 Å²	150.1	100%	1.103	80%	0.8	S	S	*	*				0	130.2	0	-91.7	173.1	80.1	0	0	107.9
2	Q	31.1	Very low	29.9	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	80%	0.802	S	S	*	*			trans	64.6	139.7	162.1	-71.8	179.3	-4.6	0	0	117.4
3	S	29.3	Very low	30.2	Very low	80 Å²	80	139 Å²	139	56%	0.559	80%	0.801	S	S	*	*			cis	166.4	160.3	-21.3	44.3	0	0	0	0	105.3
4	Q	30.4	Very low	30.7	Very low	150 Å²	150	138.1 Å²	138.1	70%	0.701	81%	0.807	S	S	*	*			trans	81.5	111.9	153.6	-73.5	172.9	-0.7	0	0	116
5	Q	29.7	Very low	31.6	Very low	163 Å²	163	137.8 Å²	137.8	76%	0.762	81%	0.807	S	S	*	*				96.6	144.2	91.6	-84.2	173.8	-5.1	0	0	107.9
6	S	30.4	Very low	32.6	Very low	97 Å²	97	136.3 Å²	136.3	68%	0.678	81%	0.806	S	S	*	*			cis	-172	152.2	5.6	33.9	0	0	0	0	106.4
7	S	29	Very low	33.5	Very low	100 Å²	100	135.4 Å²	135.4	70%	0.699	80%	0.797	S	S	*	*			trans	-8.6	138.2	149.2	46.7	0	0	0	0	119.7
8	E	30	Very low	34.7	Very low	192 Å²	192	133.6 Å²	133.6	90%	0.897	79%	0.79	S	S	*	*			trans	150.6	126.2	133.1	-83.1	175.8	-170.3	0	0	106.6
9	G	28.5	Very low	35.9	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	78%	0.778	S	S	*	*			cis	112.3	127.1	42.6	0	0	0	0	0	107.2
10	E	30.3	Very low	37.4	Very low	201 Å²	201	125.5 Å²	125.5	94%	0.939	76%	0.758	S	S	*	*			trans	97.7	102.7	165	-54.1	-164.1	157.3	0	0	119.8
11	Q	27.3	Very low	39.1	Very low	200 Å²	200	123.2 Å²	123.2	94%	0.935	74%	0.744	S	S	*	*			trans	-56.4	141.7	158.6	-60.6	166.3	-12.7	0	0	111.7
12	G	30.1	Very low	41.1	Very low	80 Å²	80	117.4 Å²	117.4	83%	0.825	71%	0.714	S	S	*	*			trans	168.7	116	162.1	0	0	0	0	0	115.3
13	G	33.4	Very low	43.5	Very low	76 Å²	76	118 Å²	118	78%	0.784	71%	0.709	S	S	*	*			trans	96.7	72.8	147	0	0	0	0	0	117.3	V15	G13-V15 PolarHBondContact O-N 2.63Å; G13-V15 VanDerWaalsContact O-N 3.08Å
14	S	37.5	Very low	46	Very low	126 Å²	126	121.9 Å²	121.9	88%	0.881	72%	0.716	S	S	*	*			trans	-69.5	92.7	163.5	56.4	0	0	0	0	110.9
15	V	45	Very low	48.6	Very low	134 Å²	134	120.8 Å²	120.8	81%	0.812	71%	0.711	S	S	*	*			trans	-106.9	101.3	154.8	-176	0	0	0	0	106.1	G13 N17	G13-V15 PolarHBondContact O-N 2.63Å; G13-V15 VanDerWaalsContact O-N 3.08Å; V15-N17 PolarHBondContact O-N 3.33Å
16	S	47.8	Very low	51.2	Low	114 Å²	114	120.7 Å²	120.7	80%	0.797	70%	0.704	S	S	*	*			trans	-63.9	93.9	-178.5	47.6	0	0	0	0	110.2	P18	S16-P18 VanDerWaalsContact O-CD 3.25Å; S16-P18 WeakPolarHBondContact O-CD 3.27Å
17	N	47.7	Very low	53.9	Low	121 Å²	121	121.3 Å²	121.3	65%	0.647	70%	0.699	S	S	*	*			trans	-85	106.9	175.7	-145.7	-1.6	0	0	0	108.1	V15 A19 G20	V15-N17 PolarHBondContact O-N 3.33Å; N17-A19 PolarHBondContact O-N 3.15Å; N17-A19 VanDerWaalsContact O-N 3.11Å; N17-G20 PolarHBondContact O-N 2.68Å
18	P	55.1	Low	56.7	Low	102 Å²	102	119.5 Å²	119.5	66%	0.662	69%	0.686	S	S	*	*	H	α-helix	trans	-59.6	-26.8	-171.4	20.4	-31	0	0	0	113.5	S16 G20 T21 E22	S16-P18 VanDerWaalsContact O-CD 3.25Å; S16-P18 WeakPolarHBondContact O-CD 3.27Å; P18-G20 VanDerWaalsContact C-N 3.26Å; P18-G20 PolarHBondContact O-N 3.34Å; P18-T21 PolarHBondContact O-N 2.75Å; P18-E22 PolarHBondContact O-N 2.98Å
19	A	56.2	Low	59.6	Low	69 Å²	69	113.1 Å²	113.1	57%	0.57	67%	0.666	S	S	*	*	H	α-helix	trans	-65.1	-26.2	173.6	0	0	0	0	0	113.7	N17 R23	N17-A19 PolarHBondContact O-N 3.15Å; N17-A19 VanDerWaalsContact O-N 3.11Å; A19-R23 PolarHBondContact O-N 2.62Å
20	G	65.6	Low	62.6	Low	36 Å²	36	115.7 Å²	115.7	37%	0.371	66%	0.663	S	S	.	*	H	α-helix	trans	-74.5	-31.1	176.4	0	0	0	0	0	112.8	N17 P18 K24	N17-G20 PolarHBondContact O-N 2.68Å; P18-G20 VanDerWaalsContact C-N 3.26Å; P18-G20 PolarHBondContact O-N 3.34Å; G20-K24 WeakPolarHBondContact O-CG 3.2Å; G20-K24 PolarHBondContact O-N 3.14Å; G20-K24 VanDerWaalsContact O-N 3.14Å
21	T	73.7	Confident	65.5	Low	78 Å²	78	108.6 Å²	108.6	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-69.7	-47.8	177.9	-44.4	0	0	0	0	110.6	P18 R23 K24 E25	P18-T21 PolarHBondContact O-N 2.75Å; T21-R23 VanDerWaalsContact C-N 3.31Å; T21-R23 PolarHBondContact O-N 3.08Å; T21-K24 WeakPolarHBondContact O-CB 3.29Å; T21-K24 PolarHBondContact O-N 2.81Å; T21-K24 VanDerWaalsContact O-N 3.11Å; T21-E25 PolarHBondContact O-N 3.36Å
22	E	76	Confident	68.6	Low	102 Å²	102	105.2 Å²	105.2	48%	0.477	62%	0.623	S	S	.	*	H	α-helix	trans	-62.5	-38.1	179.2	-158.6	-169.5	158.5	0	0	112	P18 E25 R26	P18-E22 PolarHBondContact O-N 2.98Å; E22-E25 PolarHBondContact O-N 2.93Å; E22-R26 WeakPolarHBondContact O-CG 3.41Å; E22-R26 PolarHBondContact O-N 3.37Å; E22-R26 IonicContact OE1-CZ 3.56Å; E22-R26 IonicContact OE1-NE 3.61Å; E22-R26 IonicContact OE1-NH2 2.85Å; E22-R26 PolarHBondContact OE1-NH2 2.88Å
23	R	80.5	Confident	71.7	Confident	187 Å²	187	105.3 Å²	105.3	71%	0.706	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-38.6	175.2	-167.9	176.9	-176.4	-174.7	1.4	112.3	A19 T21 L27	A19-R23 PolarHBondContact O-N 2.62Å; T21-R23 VanDerWaalsContact C-N 3.31Å; T21-R23 PolarHBondContact O-N 3.08Å; R23-L27 HydrophobicContact CG-CD1 4.35Å; R23-L27 WeakPolarHBondContact O-CB 3.31Å; R23-L27 PolarHBondContact O-N 2.99Å
24	K	81.7	Confident	74.5	Confident	163 Å²	163	107.3 Å²	107.3	71%	0.709	60%	0.597	S	S	*	*	H	α-helix	trans	-65.3	-42.6	175.3	-79.1	179.8	179.2	-176.2	0	111.5	G20 T21 L27 S28	G20-K24 WeakPolarHBondContact O-CG 3.2Å; G20-K24 PolarHBondContact O-N 3.14Å; G20-K24 VanDerWaalsContact O-N 3.14Å; T21-K24 WeakPolarHBondContact O-CB 3.29Å; T21-K24 PolarHBondContact O-N 2.81Å; T21-K24 VanDerWaalsContact O-N 3.11Å; K24-L27 PolarHBondContact O-N 3.33Å; K24-S28 PolarHBondContact O-N 2.89Å
25	E	84.6	Confident	77.3	Confident	126 Å²	126	105.9 Å²	105.9	59%	0.589	58%	0.582	S	S	*	*	H	α-helix	trans	-62.5	-45.4	176.6	-73.1	174.2	-176	0	0	111.8	T21 E22 L27 S28 A29	T21-E25 PolarHBondContact O-N 3.36Å; E22-E25 PolarHBondContact O-N 2.93Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.26Å; E25-S28 PolarHBondContact O-N 3.16Å; E25-A29 PolarHBondContact O-N 3.04Å
26	R	85.5	Confident	79.6	Confident	161 Å²	161	102.5 Å²	102.5	61%	0.608	57%	0.565	S	S	*	*	H	α-helix	trans	-61.4	-40.2	175.1	-71.9	-175	-169.1	-167.8	5.8	112.8	E22 A29 L30	E22-R26 WeakPolarHBondContact O-CG 3.41Å; E22-R26 PolarHBondContact O-N 3.37Å; E22-R26 IonicContact OE1-CZ 3.56Å; E22-R26 IonicContact OE1-NE 3.61Å; E22-R26 IonicContact OE1-NH2 2.85Å; E22-R26 PolarHBondContact OE1-NH2 2.88Å; R26-A29 PolarHBondContact O-N 3.42Å; R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 PolarHBondContact O-N 3.12Å
27	L	86.4	Confident	81.9	Confident	111 Å²	111	103.5 Å²	103.5	58%	0.581	56%	0.555	S	S	*	*	H	α-helix	trans	-65.7	-40	176.2	-113.6	125.2	0	0	0	111.9	R23 K24 E25 L30 A31	R23-L27 HydrophobicContact CG-CD1 4.35Å; R23-L27 WeakPolarHBondContact O-CB 3.31Å; R23-L27 PolarHBondContact O-N 2.99Å; K24-L27 PolarHBondContact O-N 3.33Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 3.26Å; L27-L30 PolarHBondContact O-N 3.4Å; L27-A31 WeakPolarHBondContact O-CB 3.5Å; L27-A31 PolarHBondContact O-N 3.23Å
28	S	88.5	Confident	84.1	Confident	62 Å²	62	100.5 Å²	100.5	43%	0.434	54%	0.543	S	S	.	.	H	α-helix	trans	-62.1	-47.2	174.7	-159.8	0	0	0	0	111	K24 E25 L30 A31 E32	K24-S28 PolarHBondContact O-N 2.89Å; E25-S28 PolarHBondContact O-N 3.16Å; S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 3.49Å; S28-A31 PolarHBondContact O-N 3.5Å; S28-E32 WeakPolarHBondContact O-CB 3.45Å; S28-E32 WeakPolarHBondContact O-CG 3.3Å; S28-E32 PolarHBondContact O-N 2.74Å; S28-E32 PolarHBondContact OG-OE1 3.33Å
29	A	90	Very high	86.1	Confident	57 Å²	57	99.5 Å²	99.5	47%	0.471	54%	0.535	S	S	.	.	H	α-helix	trans	-62.3	-39.4	178.2	0	0	0	0	0	112.7	E25 R26 N33	E25-A29 PolarHBondContact O-N 3.04Å; R26-A29 PolarHBondContact O-N 3.42Å; A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.33Å; A29-N33 PolarHBondContact O-N 3.4Å
30	L	91.4	Very high	87.9	Confident	124 Å²	124	100.2 Å²	100.2	65%	0.649	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-40.8	174.1	-88.9	154.8	0	0	0	112.3	R26 L27 S28 N33 L34	R26-L30 WeakPolarHBondContact O-CB 3.49Å; R26-L30 PolarHBondContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 3.4Å; S28-L30 VanDerWaalsContact C-N 3.35Å; S28-L30 PolarHBondContact O-N 3.49Å; L30-N33 PolarHBondContact O-N 3.28Å; L30-L34 WeakPolarHBondContact O-CB 3.28Å; L30-L34 PolarHBondContact O-N 3.39Å
31	A	91.2	Very high	89.4	Confident	52 Å²	52	105.1 Å²	105.1	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-65.8	-44.8	176.9	0	0	0	0	0	111.5	L27 S28 N33 L34 V35	L27-A31 WeakPolarHBondContact O-CB 3.5Å; L27-A31 PolarHBondContact O-N 3.23Å; S28-A31 PolarHBondContact O-N 3.5Å; A31-N33 VanDerWaalsContact C-N 3.34Å; A31-N33 PolarHBondContact O-N 3.03Å; A31-L34 PolarHBondContact O-N 3.24Å; A31-V35 VanDerWaalsContact O-CG2 3.32Å; A31-V35 WeakPolarHBondContact O-CG2 3.38Å; A31-V35 PolarHBondContact O-N 3Å
32	E	92.8	Very high	90.4	Very high	129 Å²	129	105.7 Å²	105.7	60%	0.603	54%	0.538	S	S	*	.	H	α-helix	trans	-60.9	-42.3	174	-74.7	169.9	-155.6	0	0	111.6	S28 V35 S36	S28-E32 WeakPolarHBondContact O-CB 3.45Å; S28-E32 WeakPolarHBondContact O-CG 3.3Å; S28-E32 PolarHBondContact O-N 2.74Å; S28-E32 PolarHBondContact OG-OE1 3.33Å; E32-V35 PolarHBondContact O-N 2.91Å; E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 3.43Å
33	N	94.1	Very high	91.3	Very high	82 Å²	82	107 Å²	107	44%	0.439	54%	0.542	S	S	.	.	H	α-helix	trans	-64	-42.1	176.1	-165.7	-90.3	0	0	0	112.3	A29 L30 A31 S36 K37	A29-N33 VanDerWaalsContact O-CB 3.31Å; A29-N33 WeakPolarHBondContact O-CB 3.33Å; A29-N33 PolarHBondContact O-N 3.4Å; L30-N33 PolarHBondContact O-N 3.28Å; A31-N33 VanDerWaalsContact C-N 3.34Å; A31-N33 PolarHBondContact O-N 3.03Å; N33-S36 PolarHBondContact O-N 3.35Å; N33-K37 WeakPolarHBondContact O-CB 3.37Å; N33-K37 WeakPolarHBondContact O-CG 3.43Å; N33-K37 PolarHBondContact O-N 3.1Å; N33-K37 VanDerWaalsContact OD1-CE 3.27Å; N33-K37 WeakPolarHBondContact OD1-CE 3.33Å
34	L	94.1	Very high	92.1	Very high	118 Å²	118	104.6 Å²	104.6	62%	0.618	54%	0.538	S	S	*	.	H	α-helix	trans	-62.4	-44.5	176.6	-179.3	68.9	0	0	0	111.2	L30 A31 S38	L30-L34 WeakPolarHBondContact O-CB 3.28Å; L30-L34 PolarHBondContact O-N 3.39Å; A31-L34 PolarHBondContact O-N 3.24Å; L34-S38 VanDerWaalsContact O-CB 3.3Å; L34-S38 WeakPolarHBondContact O-CB 3.44Å; L34-S38 PolarHBondContact O-N 3.13Å; L34-S38 PolarHBondContact O-OG 2.83Å
35	V	94.8	Very high	92.8	Very high	96 Å²	96	101.4 Å²	101.4	58%	0.582	53%	0.526	S	S	*	.	H	α-helix	trans	-63.9	-44.1	177.2	171.6	0	0	0	0	110.7	A31 E32 S38 T39	A31-V35 VanDerWaalsContact O-CG2 3.32Å; A31-V35 WeakPolarHBondContact O-CG2 3.38Å; A31-V35 PolarHBondContact O-N 3Å; E32-V35 PolarHBondContact O-N 2.91Å; V35-S38 PolarHBondContact O-N 3.17Å; V35-T39 WeakPolarHBondContact O-CB 3.43Å; V35-T39 PolarHBondContact O-N 3.22Å; V35-T39 PolarHBondContact O-OG1 3.37Å
36	S	94.5	Very high	93.3	Very high	63 Å²	63	101.9 Å²	101.9	44%	0.441	53%	0.526	S	S	.	.	H	α-helix	trans	-58.4	-54.2	175.7	-171.3	0	0	0	0	111.3	E32 N33 S38 T39 D40	E32-S36 WeakPolarHBondContact O-CB 3.43Å; E32-S36 PolarHBondContact O-N 3.43Å; N33-S36 PolarHBondContact O-N 3.35Å; S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.49Å; S36-T39 WeakPolarHBondContact O-CA 3.42Å; S36-T39 WeakPolarHBondContact O-CB 3.43Å; S36-T39 PolarHBondContact O-N 3.23Å; S36-D40 PolarHBondContact O-N 2.9Å
37	K	95.1	Very high	93.8	Very high	135 Å²	135	98.7 Å²	98.7	59%	0.587	52%	0.521	S	S	*	.	H	α-helix	trans	-63.1	-36	-179.2	-73.5	-172.8	176.4	-177.3	0	113.4	N33 T39 D40 Y41	N33-K37 WeakPolarHBondContact O-CB 3.37Å; N33-K37 WeakPolarHBondContact O-CG 3.43Å; N33-K37 PolarHBondContact O-N 3.1Å; N33-K37 VanDerWaalsContact OD1-CE 3.27Å; N33-K37 WeakPolarHBondContact OD1-CE 3.33Å; K37-T39 VanDerWaalsContact C-N 3.31Å; K37-D40 PolarHBondContact O-N 2.86Å; K37-Y41 WeakPolarHBondContact O-CB 3.44Å; K37-Y41 PolarHBondContact O-N 3.24Å
38	S	94.8	Very high	94.2	Very high	57 Å²	57	95.7 Å²	95.7	40%	0.399	51%	0.513	S	S	.	.	H	α-helix	trans	-67.5	-35.7	175.6	-56.3	0	0	0	0	111.3	L34 V35 S36 L42	L34-S38 VanDerWaalsContact O-CB 3.3Å; L34-S38 WeakPolarHBondContact O-CB 3.44Å; L34-S38 PolarHBondContact O-N 3.13Å; L34-S38 PolarHBondContact O-OG 2.83Å; V35-S38 PolarHBondContact O-N 3.17Å; S36-S38 VanDerWaalsContact C-N 3.32Å; S36-S38 PolarHBondContact O-N 3.49Å; S38-L42 WeakPolarHBondContact O-CB 3.42Å; S38-L42 VanDerWaalsContact O-CG 3.28Å; S38-L42 WeakPolarHBondContact O-CG 3.31Å; S38-L42 PolarHBondContact O-N 2.91Å; S38-L42 VanDerWaalsContact O-N 3.07Å
39	T	95.9	Very high	94.5	Very high	82 Å²	82	94.7 Å²	94.7	50%	0.503	51%	0.508	S	S	.	.	H	α-helix	trans	-67.3	-44.8	175.2	-54.2	0	0	0	0	111	V35 S36 K37 L42 K43	V35-T39 WeakPolarHBondContact O-CB 3.43Å; V35-T39 PolarHBondContact O-N 3.22Å; V35-T39 PolarHBondContact O-OG1 3.37Å; S36-T39 WeakPolarHBondContact O-CA 3.42Å; S36-T39 WeakPolarHBondContact O-CB 3.43Å; S36-T39 PolarHBondContact O-N 3.23Å; K37-T39 VanDerWaalsContact C-N 3.31Å; T39-L42 PolarHBondContact O-N 3.25Å; T39-K43 WeakPolarHBondContact O-CB 3.45Å; T39-K43 PolarHBondContact O-N 2.71Å
40	D	95.4	Very high	94.8	Very high	83 Å²	83	95.9 Å²	95.9	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-62.2	-46.4	177.5	-63.7	-30.1	0	0	0	111.4	S36 K37 L42 K43 E44	S36-D40 PolarHBondContact O-N 2.9Å; K37-D40 PolarHBondContact O-N 2.86Å; D40-L42 PolarHBondContact O-N 3.43Å; D40-K43 WeakPolarHBondContact O-CB 3.45Å; D40-K43 PolarHBondContact O-N 3.09Å; D40-E44 PolarHBondContact O-N 2.9Å
41	Y	95.8	Very high	94.9	Very high	139 Å²	139	92.7 Å²	92.7	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-59	-45.7	175.9	175.1	-95.8	0	0	0	112.4	K37 K43 E44 Q45	K37-Y41 WeakPolarHBondContact O-CB 3.44Å; K37-Y41 PolarHBondContact O-N 3.24Å; Y41-K43 VanDerWaalsContact C-N 3.31Å; Y41-K43 PolarHBondContact O-N 3.49Å; Y41-E44 PolarHBondContact O-N 3.03Å; Y41-Q45 HydrophobicContact CD1-CG 4.21Å; Y41-Q45 HydrophobicContact CE1-CG 3.76Å; Y41-Q45 HydrophobicContact CE2-CG 4.15Å; Y41-Q45 VanDerWaalsContact O-CG 3.3Å; Y41-Q45 WeakPolarHBondContact O-CG 3.37Å; Y41-Q45 PolarHBondContact O-N 3.34Å; Y41-Q45 PolarHBondContact OH-NE2 3.15Å
42	L	95.7	Very high	95.2	Very high	91 Å²	91	95.5 Å²	95.5	48%	0.476	51%	0.509	S	S	.	.	H	α-helix	trans	-62.3	-40.8	177.6	-75.5	171.7	0	0	0	111.4	S38 T39 D40 Q45 F46	S38-L42 WeakPolarHBondContact O-CB 3.42Å; S38-L42 VanDerWaalsContact O-CG 3.28Å; S38-L42 WeakPolarHBondContact O-CG 3.31Å; S38-L42 PolarHBondContact O-N 2.91Å; S38-L42 VanDerWaalsContact O-N 3.07Å; T39-L42 PolarHBondContact O-N 3.25Å; D40-L42 PolarHBondContact O-N 3.43Å; L42-Q45 PolarHBondContact O-N 2.96Å; L42-F46 HydrophobicContact CB-CE2 4.21Å; L42-F46 WeakPolarHBondContact O-CD2 3.5Å; L42-F46 WeakPolarHBondContact O-CG 3.4Å; L42-F46 PolarHBondContact O-N 3.34Å
43	K	95.5	Very high	95.4	Very high	130 Å²	130	97.6 Å²	97.6	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-61.2	-48.1	176.8	-171.5	-177.5	176.1	-172.3	0	111.6	T39 D40 Y41 Q45 F46 D47	T39-K43 WeakPolarHBondContact O-CB 3.45Å; T39-K43 PolarHBondContact O-N 2.71Å; D40-K43 WeakPolarHBondContact O-CB 3.45Å; D40-K43 PolarHBondContact O-N 3.09Å; Y41-K43 VanDerWaalsContact C-N 3.31Å; Y41-K43 PolarHBondContact O-N 3.49Å; K43-Q45 VanDerWaalsContact C-N 3.31Å; K43-Q45 PolarHBondContact O-N 3.22Å; K43-F46 PolarHBondContact O-N 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.38Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.02Å
44	E	95.7	Very high	95.5	Very high	136 Å²	136	96.4 Å²	96.4	64%	0.636	51%	0.508	S	S	*	.	H	α-helix	trans	-60.6	-39.4	176.8	-73.3	-176.7	174.9	0	0	112.3	D40 Y41 D47 A48	D40-E44 PolarHBondContact O-N 2.9Å; Y41-E44 PolarHBondContact O-N 3.03Å; E44-D47 PolarHBondContact O-N 3.48Å; E44-A48 WeakPolarHBondContact O-CB 3.39Å; E44-A48 PolarHBondContact O-N 3.37Å
45	Q	96.3	Very high	95.5	Very high	96 Å²	96	95.6 Å²	95.6	45%	0.449	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-40	176.1	-71.9	-67	-21.2	0	0	112.6	Y41 L42 K43 A49	Y41-Q45 HydrophobicContact CD1-CG 4.21Å; Y41-Q45 HydrophobicContact CE1-CG 3.76Å; Y41-Q45 HydrophobicContact CE2-CG 4.15Å; Y41-Q45 VanDerWaalsContact O-CG 3.3Å; Y41-Q45 WeakPolarHBondContact O-CG 3.37Å; Y41-Q45 PolarHBondContact O-N 3.34Å; Y41-Q45 PolarHBondContact OH-NE2 3.15Å; L42-Q45 PolarHBondContact O-N 2.96Å; K43-Q45 VanDerWaalsContact C-N 3.31Å; K43-Q45 PolarHBondContact O-N 3.22Å; Q45-A49 WeakPolarHBondContact O-CB 3.36Å; Q45-A49 PolarHBondContact O-N 2.92Å
46	F	96.1	Very high	95.5	Very high	136 Å²	136	95.4 Å²	95.4	60%	0.596	50%	0.499	S	S	*	.	H	α-helix	trans	-68.5	-39.5	175.2	-70.8	-56	0	0	0	112.2	L42 K43 A49 T50	L42-F46 HydrophobicContact CB-CE2 4.21Å; L42-F46 WeakPolarHBondContact O-CD2 3.5Å; L42-F46 WeakPolarHBondContact O-CG 3.4Å; L42-F46 PolarHBondContact O-N 3.34Å; K43-F46 PolarHBondContact O-N 3.44Å; F46-A49 PolarHBondContact O-N 3.28Å; F46-T50 WeakPolarHBondContact O-CB 3.36Å; F46-T50 PolarHBondContact O-N 2.82Å; F46-T50 PolarHBondContact O-OG1 3.47Å
47	D	95.5	Very high	95.6	Very high	94 Å²	94	98.5 Å²	98.5	50%	0.503	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-42.6	178	-71.5	-20.5	0	0	0	111	K43 E44 T50 A51	K43-D47 WeakPolarHBondContact O-CB 3.38Å; K43-D47 VanDerWaalsContact O-CG 3.32Å; K43-D47 PolarHBondContact O-N 3.02Å; E44-D47 PolarHBondContact O-N 3.48Å; D47-T50 PolarHBondContact O-N 2.97Å; D47-A51 PolarHBondContact O-N 3.01Å
48	A	94.5	Very high	95.7	Very high	48 Å²	48	100.6 Å²	100.6	40%	0.397	51%	0.511	S	S	.	.	H	α-helix	trans	-61.7	-48.4	174.7	0	0	0	0	0	112.2	E44 T50 A51 D52	E44-A48 WeakPolarHBondContact O-CB 3.39Å; E44-A48 PolarHBondContact O-N 3.37Å; A48-T50 VanDerWaalsContact C-N 3.28Å; A48-T50 PolarHBondContact O-N 2.91Å; A48-A51 WeakPolarHBondContact O-CB 3.24Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-A51 VanDerWaalsContact O-N 3.15Å; A48-D52 PolarHBondContact O-N 2.64Å
49	A	95	Very high	95.8	Very high	41 Å²	41	103.1 Å²	103.1	34%	0.339	52%	0.518	S	S	.	.	H	α-helix	trans	-60.3	-39.5	176.6	0	0	0	0	0	111.9	Q45 F46 A51 D52 Y53	Q45-A49 WeakPolarHBondContact O-CB 3.36Å; Q45-A49 PolarHBondContact O-N 2.92Å; F46-A49 PolarHBondContact O-N 3.28Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.38Å; A49-D52 PolarHBondContact O-N 3.15Å; A49-Y53 WeakPolarHBondContact O-CD2 3.21Å; A49-Y53 PolarHBondContact O-N 3.21Å
50	T	95.8	Very high	95.7	Very high	82 Å²	82	104 Å²	104	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-40	176.7	-56.7	0	0	0	0	111.6	F46 D47 A48 T54	F46-T50 WeakPolarHBondContact O-CB 3.36Å; F46-T50 PolarHBondContact O-N 2.82Å; F46-T50 PolarHBondContact O-OG1 3.47Å; D47-T50 PolarHBondContact O-N 2.97Å; A48-T50 VanDerWaalsContact C-N 3.28Å; A48-T50 PolarHBondContact O-N 2.91Å; T50-T54 WeakPolarHBondContact O-CB 3.49Å; T50-T54 PolarHBondContact O-N 2.92Å; T50-T54 PolarHBondContact O-OG1 3.28Å
51	A	95.2	Very high	95.8	Very high	56 Å²	56	105.8 Å²	105.8	46%	0.463	53%	0.525	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175	0	0	0	0	0	111.8	D47 A48 A49 T54 L55	D47-A51 PolarHBondContact O-N 3.01Å; A48-A51 WeakPolarHBondContact O-CB 3.24Å; A48-A51 PolarHBondContact O-N 2.97Å; A48-A51 VanDerWaalsContact O-N 3.15Å; A49-A51 VanDerWaalsContact C-N 3.34Å; A49-A51 PolarHBondContact O-N 3.38Å; A51-T54 WeakPolarHBondContact O-CB 3.4Å; A51-T54 PolarHBondContact O-N 2.84Å; A51-L55 PolarHBondContact O-N 3.08Å
52	D	96.1	Very high	95.7	Very high	112 Å²	112	102 Å²	102	60%	0.599	52%	0.522	S	S	*	.	H	α-helix	trans	-61.6	-45.3	177.6	-73.4	-15.5	0	0	0	112.1	A48 A49 T54 L55 L56	A48-D52 PolarHBondContact O-N 2.64Å; A49-D52 PolarHBondContact O-N 3.15Å; D52-T54 VanDerWaalsContact C-N 3.32Å; D52-T54 PolarHBondContact O-N 2.91Å; D52-L55 PolarHBondContact O-N 3.17Å; D52-L56 PolarHBondContact O-N 3.37Å
53	Y	96.8	Very high	95.6	Very high	173 Å²	173	101.1 Å²	101.1	68%	0.678	52%	0.521	S	S	*	.	H	α-helix	trans	-63.8	-37.3	175.5	-81.2	-66.9	0	0	0	112.5	A49 L56 Q57	A49-Y53 WeakPolarHBondContact O-CD2 3.21Å; A49-Y53 PolarHBondContact O-N 3.21Å; Y53-L56 PolarHBondContact O-N 3.01Å; Y53-Q57 WeakPolarHBondContact O-CB 3.22Å; Y53-Q57 PolarHBondContact O-N 3.12Å
54	T	95.9	Very high	95.6	Very high	56 Å²	56	97.2 Å²	97.2	34%	0.344	51%	0.513	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.1	-57.3	0	0	0	0	111.2	T50 A51 D52 Q57 R58	T50-T54 WeakPolarHBondContact O-CB 3.49Å; T50-T54 PolarHBondContact O-N 2.92Å; T50-T54 PolarHBondContact O-OG1 3.28Å; A51-T54 WeakPolarHBondContact O-CB 3.4Å; A51-T54 PolarHBondContact O-N 2.84Å; D52-T54 VanDerWaalsContact C-N 3.32Å; D52-T54 PolarHBondContact O-N 2.91Å; T54-Q57 PolarHBondContact O-N 2.99Å; T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.74Å; T54-R58 VanDerWaalsContact O-N 3.1Å
55	L	95.5	Very high	95.6	Very high	101 Å²	101	94.8 Å²	94.8	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-46.6	174.8	177.6	61.4	0	0	0	111.2	A51 D52 Q57 R58 M59	A51-L55 PolarHBondContact O-N 3.08Å; D52-L55 PolarHBondContact O-N 3.17Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.41Å; L55-R58 PolarHBondContact O-N 3.27Å; L55-R58 VanDerWaalsContact O-N 3.11Å; L55-M59 HydrophobicContact CD1-CG 4.38Å; L55-M59 HydrophobicContact CG-SD 4.32Å; L55-M59 WeakPolarHBondContact O-CG 3.48Å; L55-M59 PolarHBondContact O-N 3.14Å
56	L	95.3	Very high	95.4	Very high	93 Å²	93	98.5 Å²	98.5	49%	0.487	51%	0.514	S	S	.	.	H	α-helix	trans	-60.8	-39.2	178.8	-160.3	74.3	0	0	0	111.7	D52 Y53 M59 N60	D52-L56 PolarHBondContact O-N 3.37Å; Y53-L56 PolarHBondContact O-N 3.01Å; L56-M59 PolarHBondContact O-N 3.02Å; L56-N60 WeakPolarHBondContact O-CB 3.43Å; L56-N60 PolarHBondContact O-N 3.46Å; L56-N60 PolarHBondContact O-ND2 2.93Å
57	Q	96	Very high	95.3	Very high	128 Å²	128	98.8 Å²	98.8	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-61.8	-44.2	174	-174.7	180	-3.4	0	0	111.8	Y53 T54 L55 N60 Q61	Y53-Q57 WeakPolarHBondContact O-CB 3.22Å; Y53-Q57 PolarHBondContact O-N 3.12Å; T54-Q57 PolarHBondContact O-N 2.99Å; L55-Q57 VanDerWaalsContact C-N 3.29Å; L55-Q57 PolarHBondContact O-N 3.41Å; Q57-N60 PolarHBondContact O-N 3.03Å; Q57-Q61 WeakPolarHBondContact O-CB 3.46Å; Q57-Q61 PolarHBondContact O-N 3.2Å
58	R	96.9	Very high	95.2	Very high	178 Å²	178	98.7 Å²	98.7	67%	0.672	51%	0.511	S	S	*	.	H	α-helix	trans	-64.2	-42.6	176.6	-71.9	179.7	-178.6	173.6	1.3	112.1	T54 L55 Q61 A62	T54-R58 WeakPolarHBondContact O-CG 3.34Å; T54-R58 PolarHBondContact O-N 2.74Å; T54-R58 VanDerWaalsContact O-N 3.1Å; L55-R58 PolarHBondContact O-N 3.27Å; L55-R58 VanDerWaalsContact O-N 3.11Å; R58-Q61 PolarHBondContact O-N 2.91Å; R58-A62 PolarHBondContact O-N 2.83Å
59	M	96.1	Very high	95.1	Very high	111 Å²	111	101 Å²	101	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-62	-43.2	176.3	-71.3	-177.2	71.3	0	0	111.9	L55 L56 Q61 A62 T63	L55-M59 HydrophobicContact CD1-CG 4.38Å; L55-M59 HydrophobicContact CG-SD 4.32Å; L55-M59 WeakPolarHBondContact O-CG 3.48Å; L55-M59 PolarHBondContact O-N 3.14Å; L56-M59 PolarHBondContact O-N 3.02Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 2.9Å; M59-A62 PolarHBondContact O-N 3.45Å; M59-T63 WeakPolarHBondContact O-CB 3.29Å; M59-T63 PolarHBondContact O-N 2.98Å; M59-T63 PolarHBondContact O-OG1 3.15Å
60	N	95.5	Very high	95	Very high	101 Å²	101	103.8 Å²	103.8	54%	0.54	52%	0.521	S	S	.	.	H	α-helix	trans	-63.6	-40.1	176.1	-76.2	-16.8	0	0	0	111.8	L56 Q57 T63 A64	L56-N60 WeakPolarHBondContact O-CB 3.43Å; L56-N60 PolarHBondContact O-N 3.46Å; L56-N60 PolarHBondContact O-ND2 2.93Å; Q57-N60 PolarHBondContact O-N 3.03Å; N60-T63 PolarHBondContact O-N 3.17Å; N60-A64 WeakPolarHBondContact O-CB 3.43Å; N60-A64 PolarHBondContact O-N 2.91Å
61	Q	96.2	Very high	94.8	Very high	119 Å²	119	105.8 Å²	105.8	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-68	-41.3	177.8	-169	157.2	6.8	0	0	112.4	Q57 R58 M59 T63 A64 N65	Q57-Q61 WeakPolarHBondContact O-CB 3.46Å; Q57-Q61 PolarHBondContact O-N 3.2Å; R58-Q61 PolarHBondContact O-N 2.91Å; M59-Q61 VanDerWaalsContact C-N 3.34Å; M59-Q61 PolarHBondContact O-N 2.9Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 2.91Å; Q61-A64 PolarHBondContact O-N 2.93Å; Q61-N65 VanDerWaalsContact O-CG 3.24Å; Q61-N65 PolarHBondContact O-N 3.12Å
62	A	93.9	Very high	94.6	Very high	60 Å²	60	109.2 Å²	109.2	50%	0.496	53%	0.534	S	S	.	.	H	α-helix	trans	-61.2	-41.7	172.8	0	0	0	0	0	111.8	R58 M59 N65 R66	R58-A62 PolarHBondContact O-N 2.83Å; M59-A62 PolarHBondContact O-N 3.45Å; A62-N65 PolarHBondContact O-N 2.96Å; A62-R66 PolarHBondContact O-N 3.49Å
63	T	94.5	Very high	94.4	Very high	72 Å²	72	108.3 Å²	108.3	44%	0.442	53%	0.533	S	S	.	.	H	α-helix	trans	-64.3	-45.1	176.9	-56	0	0	0	0	111.5	M59 N60 Q61 N65 R66 Y67	M59-T63 WeakPolarHBondContact O-CB 3.29Å; M59-T63 PolarHBondContact O-N 2.98Å; M59-T63 PolarHBondContact O-OG1 3.15Å; N60-T63 PolarHBondContact O-N 3.17Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 2.91Å; T63-N65 VanDerWaalsContact C-N 3.34Å; T63-N65 PolarHBondContact O-N 2.99Å; T63-R66 WeakPolarHBondContact O-CB 3.41Å; T63-R66 PolarHBondContact O-N 3.24Å; T63-Y67 HydrophobicContact CG2-CD2 3.91Å; T63-Y67 HydrophobicContact CG2-CE2 3.62Å; T63-Y67 VanDerWaalsContact O-CD2 3.23Å; T63-Y67 WeakPolarHBondContact O-CD2 3.44Å; T63-Y67 PolarHBondContact O-N 3.18Å
64	A	94.7	Very high	94.2	Very high	49 Å²	49	104.3 Å²	104.3	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-59.9	-43.8	176	0	0	0	0	0	111.8	N60 Q61 R66 Y67 I68	N60-A64 WeakPolarHBondContact O-CB 3.43Å; N60-A64 PolarHBondContact O-N 2.91Å; Q61-A64 PolarHBondContact O-N 2.93Å; A64-R66 VanDerWaalsContact C-N 3.32Å; A64-R66 PolarHBondContact O-N 3.01Å; A64-Y67 PolarHBondContact O-N 3.49Å; A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.47Å; A64-I68 VanDerWaalsContact O-N 3.1Å
65	N	95	Very high	93.9	Very high	84 Å²	84	104.1 Å²	104.1	45%	0.449	53%	0.53	S	S	.	.	H	α-helix	trans	-61.9	-39.5	175.7	-69.4	-12	0	0	0	111.8	Q61 A62 T63 Y67 I68 Q69	Q61-N65 VanDerWaalsContact O-CG 3.24Å; Q61-N65 PolarHBondContact O-N 3.12Å; A62-N65 PolarHBondContact O-N 2.96Å; T63-N65 VanDerWaalsContact C-N 3.34Å; T63-N65 PolarHBondContact O-N 2.99Å; N65-Y67 PolarHBondContact O-N 2.79Å; N65-I68 PolarHBondContact O-N 2.91Å; N65-Q69 WeakPolarHBondContact O-CG 3.49Å; N65-Q69 PolarHBondContact O-N 3.39Å
66	R	92.9	Very high	93.7	Very high	174 Å²	174	101 Å²	101	66%	0.657	52%	0.522	S	S	*	.	H	α-helix	trans	-61.5	-41.3	175.5	-166.4	77.8	175.2	121.7	-0.8	112	A62 T63 A64 Q69 M70	A62-R66 PolarHBondContact O-N 3.49Å; T63-R66 WeakPolarHBondContact O-CB 3.41Å; T63-R66 PolarHBondContact O-N 3.24Å; A64-R66 VanDerWaalsContact C-N 3.32Å; A64-R66 PolarHBondContact O-N 3.01Å; R66-Q69 PolarHBondContact O-N 2.99Å; R66-M70 WeakPolarHBondContact O-CB 3.49Å; R66-M70 PolarHBondContact O-N 3.35Å
67	Y	93.6	Very high	93.5	Very high	143 Å²	143	100.6 Å²	100.6	56%	0.561	52%	0.524	S	S	*	.	H	α-helix	trans	-65.7	-36.3	175.9	-82.2	-71.6	0	0	0	112.7	T63 A64 N65 M70 L71	T63-Y67 HydrophobicContact CG2-CD2 3.91Å; T63-Y67 HydrophobicContact CG2-CE2 3.62Å; T63-Y67 VanDerWaalsContact O-CD2 3.23Å; T63-Y67 WeakPolarHBondContact O-CD2 3.44Å; T63-Y67 PolarHBondContact O-N 3.18Å; A64-Y67 PolarHBondContact O-N 3.49Å; N65-Y67 PolarHBondContact O-N 2.79Å; Y67-M70 HydrophobicContact CD1-CE 3.63Å; Y67-M70 HydrophobicContact CE1-CE 3.85Å; Y67-M70 PolarHBondContact O-N 2.64Å; Y67-L71 WeakPolarHBondContact O-CG 3.25Å; Y67-L71 PolarHBondContact O-N 3.3Å
68	I	93.8	Very high	93.3	Very high	92 Å²	92	98.7 Å²	98.7	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-48.6	174.7	-66.9	167.8	0	0	0	110.5	A64 N65 M70 L71 E72	A64-I68 WeakPolarHBondContact O-CG1 3.39Å; A64-I68 PolarHBondContact O-N 3.47Å; A64-I68 VanDerWaalsContact O-N 3.1Å; N65-I68 PolarHBondContact O-N 2.91Å; I68-M70 VanDerWaalsContact C-N 3.28Å; I68-M70 PolarHBondContact O-N 3.12Å; I68-L71 WeakPolarHBondContact O-CB 3.48Å; I68-L71 PolarHBondContact O-N 3.3Å; I68-L71 VanDerWaalsContact O-N 3.12Å; I68-E72 PolarHBondContact O-N 2.66Å; I68-E72 VanDerWaalsContact O-N 3.08Å
69	Q	91.6	Very high	93.1	Very high	95 Å²	95	95.1 Å²	95.1	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-59.9	-38.1	176.3	-70.4	175.4	-5.5	0	0	112.5	N65 R66 L71 E72 T73	N65-Q69 WeakPolarHBondContact O-CG 3.49Å; N65-Q69 PolarHBondContact O-N 3.39Å; R66-Q69 PolarHBondContact O-N 2.99Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; Q69-E72 PolarHBondContact O-N 2.9Å; Q69-T73 PolarHBondContact O-N 3.04Å; Q69-T73 PolarHBondContact O-OG1 3.4Å
70	M	93	Very high	92.9	Very high	101 Å²	101	93.4 Å²	93.4	50%	0.498	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-38.3	176.9	-170.4	174.2	67.8	0	0	111.7	R66 Y67 I68 T73 V74	R66-M70 WeakPolarHBondContact O-CB 3.49Å; R66-M70 PolarHBondContact O-N 3.35Å; Y67-M70 HydrophobicContact CD1-CE 3.63Å; Y67-M70 HydrophobicContact CE1-CE 3.85Å; Y67-M70 PolarHBondContact O-N 2.64Å; I68-M70 VanDerWaalsContact C-N 3.28Å; I68-M70 PolarHBondContact O-N 3.12Å; M70-T73 PolarHBondContact O-N 2.88Å; M70-V74 VanDerWaalsContact O-CG2 3.29Å; M70-V74 WeakPolarHBondContact O-CG2 3.45Å; M70-V74 PolarHBondContact O-N 2.86Å
71	L	92.5	Very high	92.7	Very high	123 Å²	123	93.4 Å²	93.4	64%	0.644	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-41.4	173.7	-75.8	167.7	0	0	0	111.9	Y67 I68 Q69 T73 V74 A75	Y67-L71 WeakPolarHBondContact O-CG 3.25Å; Y67-L71 PolarHBondContact O-N 3.3Å; I68-L71 WeakPolarHBondContact O-CB 3.48Å; I68-L71 PolarHBondContact O-N 3.3Å; I68-L71 VanDerWaalsContact O-N 3.12Å; Q69-L71 VanDerWaalsContact C-N 3.35Å; L71-T73 VanDerWaalsContact C-N 3.35Å; L71-V74 PolarHBondContact O-N 3.37Å; L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.25Å
72	E	91.7	Very high	92.5	Very high	129 Å²	129	93.2 Å²	93.2	60%	0.603	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-41.9	174.9	-68.5	174.7	166.6	0	0	111.6	I68 Q69 A75 G76	I68-E72 PolarHBondContact O-N 2.66Å; I68-E72 VanDerWaalsContact O-N 3.08Å; Q69-E72 PolarHBondContact O-N 2.9Å; E72-A75 PolarHBondContact O-N 2.76Å; E72-G76 PolarHBondContact O-N 3.11Å
73	T	90.7	Very high	92.4	Very high	92 Å²	92	93.9 Å²	93.9	56%	0.564	50%	0.501	S	S	*	.	H	α-helix	trans	-62.5	-45.8	176.5	-52	0	0	0	0	111.1	Q69 M70 L71 A75 G76 V77	Q69-T73 PolarHBondContact O-N 3.04Å; Q69-T73 PolarHBondContact O-OG1 3.4Å; M70-T73 PolarHBondContact O-N 2.88Å; L71-T73 VanDerWaalsContact C-N 3.35Å; T73-A75 PolarHBondContact O-N 3.3Å; T73-G76 PolarHBondContact O-N 3.39Å; T73-V77 WeakPolarHBondContact O-CG2 3.49Å; T73-V77 PolarHBondContact O-N 3.27Å
74	V	92.1	Very high	92.1	Very high	89 Å²	89	95.4 Å²	95.4	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-64.5	-39.7	177.8	171.1	0	0	0	0	111.4	M70 L71 G76 V77 N78	M70-V74 VanDerWaalsContact O-CG2 3.29Å; M70-V74 WeakPolarHBondContact O-CG2 3.45Å; M70-V74 PolarHBondContact O-N 2.86Å; L71-V74 PolarHBondContact O-N 3.37Å; V74-G76 VanDerWaalsContact C-N 3.35Å; V74-V77 PolarHBondContact O-N 2.89Å; V74-N78 WeakPolarHBondContact O-CB 3.4Å; V74-N78 PolarHBondContact O-N 3Å
75	A	91	Very high	91.9	Very high	53 Å²	53	96.4 Å²	96.4	44%	0.438	51%	0.505	S	S	.	.	H	α-helix	trans	-62.4	-42.9	174.8	0	0	0	0	0	111.5	L71 E72 T73 N78 I79	L71-A75 WeakPolarHBondContact O-CB 3.31Å; L71-A75 PolarHBondContact O-N 3.25Å; E72-A75 PolarHBondContact O-N 2.76Å; T73-A75 PolarHBondContact O-N 3.3Å; A75-N78 PolarHBondContact O-N 3.39Å; A75-I79 WeakPolarHBondContact O-CG1 3.41Å; A75-I79 PolarHBondContact O-N 3.47Å; A75-I79 VanDerWaalsContact O-N 3.08Å
76	G	90.9	Very high	91.7	Very high	34 Å²	34	96.4 Å²	96.4	35%	0.351	51%	0.511	S	S	.	.	H	α-helix	trans	-59.9	-47.1	173.7	0	0	0	0	0	112.4	E72 T73 V74 N78 I79 T80	E72-G76 PolarHBondContact O-N 3.11Å; T73-G76 PolarHBondContact O-N 3.39Å; V74-G76 VanDerWaalsContact C-N 3.35Å; G76-N78 VanDerWaalsContact C-N 3.34Å; G76-N78 PolarHBondContact O-N 2.94Å; G76-I79 PolarHBondContact O-N 3.42Å; G76-T80 WeakPolarHBondContact O-CG2 3.39Å; G76-T80 PolarHBondContact O-N 2.81Å; G76-T80 PolarHBondContact O-OG1 2.87Å
77	V	91.2	Very high	91.6	Very high	86 Å²	86	93.2 Å²	93.2	52%	0.521	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-42.4	176.6	172.5	0	0	0	0	111.3	T73 V74 I79 T80 M81	T73-V77 WeakPolarHBondContact O-CG2 3.49Å; T73-V77 PolarHBondContact O-N 3.27Å; V74-V77 PolarHBondContact O-N 2.89Å; V77-I79 PolarHBondContact O-N 2.9Å; V77-T80 VanDerWaalsContact CA-OG1 3.31Å; V77-T80 WeakPolarHBondContact CA-OG1 3.26Å; V77-T80 PolarHBondContact O-N 3.03Å; V77-T80 PolarHBondContact O-OG1 2.63Å; V77-M81 WeakPolarHBondContact O-CB 3.49Å; V77-M81 PolarHBondContact O-N 3.02Å
78	N	91.5	Very high	91.2	Very high	88 Å²	88	91.6 Å²	91.6	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-42.4	179.1	-167.5	64.7	0	0	0	112	V74 A75 G76 T80 M81 E82	V74-N78 WeakPolarHBondContact O-CB 3.4Å; V74-N78 PolarHBondContact O-N 3Å; A75-N78 PolarHBondContact O-N 3.39Å; G76-N78 VanDerWaalsContact C-N 3.34Å; G76-N78 PolarHBondContact O-N 2.94Å; N78-T80 VanDerWaalsContact C-N 3.35Å; N78-T80 PolarHBondContact O-N 3.34Å; N78-M81 PolarHBondContact O-N 3.26Å; N78-E82 PolarHBondContact ND2-OE1 2.95Å; N78-E82 WeakPolarHBondContact O-CG 3.32Å; N78-E82 PolarHBondContact O-N 3.23Å
79	I	93.1	Very high	91	Very high	102 Å²	102	91.8 Å²	91.8	52%	0.523	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-44.3	174.3	-65.9	165.7	0	0	0	110.5	A75 G76 V77 M81 E82 T83	A75-I79 WeakPolarHBondContact O-CG1 3.41Å; A75-I79 PolarHBondContact O-N 3.47Å; A75-I79 VanDerWaalsContact O-N 3.08Å; G76-I79 PolarHBondContact O-N 3.42Å; V77-I79 PolarHBondContact O-N 2.9Å; I79-M81 VanDerWaalsContact C-N 3.29Å; I79-M81 PolarHBondContact O-N 2.97Å; I79-E82 PolarHBondContact O-N 3.26Å; I79-T83 WeakPolarHBondContact O-CG2 3.34Å; I79-T83 PolarHBondContact O-N 3.22Å; I79-T83 PolarHBondContact O-OG1 2.95Å
80	T	91	Very high	90.8	Very high	75 Å²	75	89.1 Å²	89.1	46%	0.46	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-32.1	177.2	57.2	0	0	0	0	113	G76 V77 N78 T83 L84	G76-T80 WeakPolarHBondContact O-CG2 3.39Å; G76-T80 PolarHBondContact O-N 2.81Å; G76-T80 PolarHBondContact O-OG1 2.87Å; V77-T80 VanDerWaalsContact CA-OG1 3.31Å; V77-T80 WeakPolarHBondContact CA-OG1 3.26Å; V77-T80 PolarHBondContact O-N 3.03Å; V77-T80 PolarHBondContact O-OG1 2.63Å; N78-T80 VanDerWaalsContact C-N 3.35Å; N78-T80 PolarHBondContact O-N 3.34Å; T80-T83 WeakPolarHBondContact CA-OG1 3.18Å; T80-T83 PolarHBondContact O-OG1 3.4Å; T80-L84 WeakPolarHBondContact O-CB 3.21Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.47Å; T80-L84 PolarHBondContact O-N 3.42Å
81	M	91.4	Very high	90.7	Very high	101 Å²	101	88.9 Å²	88.9	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-70.5	-40.4	176.3	-166.7	69.5	-172.6	0	0	111.1	V77 N78 I79 L84 N85	V77-M81 WeakPolarHBondContact O-CB 3.49Å; V77-M81 PolarHBondContact O-N 3.02Å; N78-M81 PolarHBondContact O-N 3.26Å; I79-M81 VanDerWaalsContact C-N 3.29Å; I79-M81 PolarHBondContact O-N 2.97Å; M81-L84 PolarHBondContact O-N 2.97Å; M81-N85 WeakPolarHBondContact O-CB 3.46Å; M81-N85 VanDerWaalsContact O-CG 3.26Å; M81-N85 PolarHBondContact O-N 2.9Å; M81-N85 PolarHBondContact O-ND2 3.42Å
82	E	91.6	Very high	90.5	Very high	116 Å²	116	87.9 Å²	87.9	54%	0.542	50%	0.495	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175	-73.2	172.8	-171.1	0	0	111.8	N78 I79 S86	N78-E82 PolarHBondContact ND2-OE1 2.95Å; N78-E82 WeakPolarHBondContact O-CG 3.32Å; N78-E82 PolarHBondContact O-N 3.23Å; I79-E82 PolarHBondContact O-N 3.26Å; E82-S86 WeakPolarHBondContact O-CB 3.36Å; E82-S86 PolarHBondContact O-N 2.67Å
83	T	92.1	Very high	90.4	Very high	73 Å²	73	85.2 Å²	85.2	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-67.4	-41.1	176.1	55.2	0	0	0	0	112.1	I79 T80 S86 L87	I79-T83 WeakPolarHBondContact O-CG2 3.34Å; I79-T83 PolarHBondContact O-N 3.22Å; I79-T83 PolarHBondContact O-OG1 2.95Å; T80-T83 WeakPolarHBondContact CA-OG1 3.18Å; T80-T83 PolarHBondContact O-OG1 3.4Å; T83-S86 PolarHBondContact O-N 3.18Å; T83-L87 WeakPolarHBondContact O-CB 3.49Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.37Å; T83-L87 PolarHBondContact O-N 3.45Å
84	L	89.3	Confident	90.4	Very high	104 Å²	104	88.3 Å²	88.3	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-43.9	175.6	-75.9	172.4	0	0	0	112.3	T80 M81 S86 L87 E88	T80-L84 WeakPolarHBondContact O-CB 3.21Å; T80-L84 VanDerWaalsContact O-CG 3.24Å; T80-L84 WeakPolarHBondContact O-CG 3.47Å; T80-L84 PolarHBondContact O-N 3.42Å; M81-L84 PolarHBondContact O-N 2.97Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.33Å; L84-L87 WeakPolarHBondContact O-CB 3.36Å; L84-L87 PolarHBondContact O-N 3.15Å; L84-E88 PolarHBondContact O-N 3.44Å
85	N	90.8	Very high	90.2	Very high	71 Å²	71	88.1 Å²	88.1	38%	0.38	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175.5	-74.2	-24.7	0	0	0	111.6	M81 L87 E88 D89	M81-N85 WeakPolarHBondContact O-CB 3.46Å; M81-N85 VanDerWaalsContact O-CG 3.26Å; M81-N85 PolarHBondContact O-N 2.9Å; M81-N85 PolarHBondContact O-ND2 3.42Å; N85-L87 VanDerWaalsContact C-N 3.32Å; N85-L87 PolarHBondContact O-N 3.29Å; N85-E88 PolarHBondContact O-N 3.38Å; N85-D89 PolarHBondContact O-N 3.36Å
86	S	90.8	Very high	90.1	Very high	83 Å²	83	91.8 Å²	91.8	58%	0.58	49%	0.494	S	S	*	.	H	α-helix	trans	-65	-35.8	174.7	-178.2	0	0	0	0	112.6	E82 T83 L84 G90	E82-S86 WeakPolarHBondContact O-CB 3.36Å; E82-S86 PolarHBondContact O-N 2.67Å; T83-S86 PolarHBondContact O-N 3.18Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 3.33Å; S86-G90 PolarHBondContact O-N 3.21Å
87	L	89.6	Confident	90.1	Very high	107 Å²	107	93.2 Å²	93.2	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-69.2	-39.9	175.3	-73.9	166.2	0	0	0	111.2	T83 L84 N85 G90 L91	T83-L87 WeakPolarHBondContact O-CB 3.49Å; T83-L87 VanDerWaalsContact O-CG 3.27Å; T83-L87 WeakPolarHBondContact O-CG 3.37Å; T83-L87 PolarHBondContact O-N 3.45Å; L84-L87 WeakPolarHBondContact O-CB 3.36Å; L84-L87 PolarHBondContact O-N 3.15Å; N85-L87 VanDerWaalsContact C-N 3.32Å; N85-L87 PolarHBondContact O-N 3.29Å; L87-G90 CarbonylContact O-C 3.59Å; L87-G90 PolarHBondContact O-N 3.34Å; L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.34Å
88	E	86.2	Confident	90	Very high	110 Å²	110	94.5 Å²	94.5	51%	0.514	50%	0.501	S	S	.	.	H	α-helix	trans	-59.7	-46.1	174.5	-169.9	-169	153.6	0	0	111.3	L84 N85 G90 L91 K92	L84-E88 PolarHBondContact O-N 3.44Å; N85-E88 PolarHBondContact O-N 3.38Å; E88-G90 VanDerWaalsContact C-N 3.3Å; E88-G90 PolarHBondContact O-N 3.42Å; E88-L91 PolarHBondContact O-N 3.07Å; E88-L91 VanDerWaalsContact O-N 3.13Å; E88-K92 PolarHBondContact O-N 2.61Å; E88-K92 VanDerWaalsContact O-N 3.09Å
89	D	88.6	Confident	90	Very high	96 Å²	96	97.1 Å²	97.1	51%	0.513	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-35.4	175.7	-79.3	-23.7	0	0	0	112.3	N85 L91 K92 P93	N85-D89 PolarHBondContact O-N 3.36Å; D89-L91 VanDerWaalsContact C-N 3.32Å; D89-K92 IonicContact OD1-NZ 3.8Å; D89-K92 PolarHBondContact OD1-NZ 3.11Å; D89-P93 WeakPolarHBondContact O-CD 3.23Å
90	G	88.5	Confident	89.9	Confident	39 Å²	39	98.4 Å²	98.4	40%	0.402	51%	0.512	S	S	.	.	H	α-helix	trans	-67.8	-29.1	172.8	0	0	0	0	0	113.8	S86 L87 E88 P93 Y94	S86-G90 PolarHBondContact O-N 3.21Å; L87-G90 CarbonylContact O-C 3.59Å; L87-G90 PolarHBondContact O-N 3.34Å; E88-G90 VanDerWaalsContact C-N 3.3Å; E88-G90 PolarHBondContact O-N 3.42Å; G90-P93 WeakPolarHBondContact O-CD 3.41Å; G90-P93 WeakPolarHBondContact O-CG 3.24Å; G90-Y94 VanDerWaalsContact O-CD2 3.28Å; G90-Y94 WeakPolarHBondContact O-CD2 3.2Å; G90-Y94 WeakPolarHBondContact O-CE2 3.33Å
91	L	89.1	Confident	89.9	Confident	96 Å²	96	99.8 Å²	99.8	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-83.7	-27.8	-179	-75.5	169.7	0	0	0	113.7	L87 E88 D89 Y94 I95	L87-L91 WeakPolarHBondContact O-CB 3.47Å; L87-L91 VanDerWaalsContact O-CG 3.3Å; L87-L91 WeakPolarHBondContact O-CG 3.44Å; L87-L91 PolarHBondContact O-N 3.34Å; E88-L91 PolarHBondContact O-N 3.07Å; E88-L91 VanDerWaalsContact O-N 3.13Å; D89-L91 VanDerWaalsContact C-N 3.32Å; L91-Y94 WeakPolarHBondContact O-CB 3.38Å; L91-Y94 PolarHBondContact O-N 3.29Å; L91-I95 HydrophobicContact CB-CD1 4.46Å; L91-I95 WeakPolarHBondContact O-CG1 3.36Å; L91-I95 PolarHBondContact O-N 3.21Å
92	K	88.6	Confident	89.8	Confident	101 Å²	101	99.9 Å²	99.9	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-44.5	-50.8	176.6	-83.4	174.5	-174.7	153.7	0	114.8	E88 D89 Y94 I95 E96	E88-K92 PolarHBondContact O-N 2.61Å; E88-K92 VanDerWaalsContact O-N 3.09Å; D89-K92 IonicContact OD1-NZ 3.8Å; D89-K92 PolarHBondContact OD1-NZ 3.11Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 3.48Å; K92-I95 PolarHBondContact O-N 2.95Å; K92-E96 PolarHBondContact O-N 2.97Å
93	P	89.8	Confident	89.8	Confident	73 Å²	73	100.8 Å²	100.8	47%	0.474	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-33	179.6	22.9	-33.5	0	0	0	113.2	D89 G90 E96 C97	D89-P93 WeakPolarHBondContact O-CD 3.23Å; G90-P93 WeakPolarHBondContact O-CD 3.41Å; G90-P93 WeakPolarHBondContact O-CG 3.24Å; P93-E96 PolarHBondContact O-N 3.43Å; P93-C97 WeakPolarHBondContact O-CB 3.39Å; P93-C97 PolarHBondContact O-N 3.12Å
94	Y	90.4	Very high	89.8	Confident	157 Å²	157	102.4 Å²	102.4	62%	0.616	53%	0.528	S	S	*	.	H	α-helix	trans	-70.3	-38.6	175	-62.2	-78.7	0	0	0	111.6	G90 L91 K92 E96 C97 I98	G90-Y94 VanDerWaalsContact O-CD2 3.28Å; G90-Y94 WeakPolarHBondContact O-CD2 3.2Å; G90-Y94 WeakPolarHBondContact O-CE2 3.33Å; L91-Y94 WeakPolarHBondContact O-CB 3.38Å; L91-Y94 PolarHBondContact O-N 3.29Å; K92-Y94 VanDerWaalsContact C-N 3.3Å; K92-Y94 PolarHBondContact O-N 3.48Å; Y94-E96 VanDerWaalsContact C-N 3.34Å; Y94-C97 PolarHBondContact O-N 3.36Å; Y94-I98 VanDerWaalsContact O-CG1 3.3Å; Y94-I98 WeakPolarHBondContact O-CG1 3.48Å; Y94-I98 PolarHBondContact O-N 3.12Å
95	I	88.5	Confident	89.7	Confident	86 Å²	86	99.8 Å²	99.8	44%	0.441	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-40.4	175	-65.1	169.5	0	0	0	110.7	L91 K92 I98 K99	L91-I95 HydrophobicContact CB-CD1 4.46Å; L91-I95 WeakPolarHBondContact O-CG1 3.36Å; L91-I95 PolarHBondContact O-N 3.21Å; K92-I95 PolarHBondContact O-N 2.95Å; I95-I98 PolarHBondContact O-N 3.35Å; I95-K99 WeakPolarHBondContact O-CG 3.45Å; I95-K99 PolarHBondContact O-N 3.31Å; I95-K99 VanDerWaalsContact O-N 3.09Å
96	E	90.2	Very high	89.7	Confident	129 Å²	129	99.2 Å²	99.2	60%	0.603	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-43.8	173.1	-72.8	-172.6	161.6	0	0	111.8	K92 P93 Y94 I98 K99 E100	K92-E96 PolarHBondContact O-N 2.97Å; P93-E96 PolarHBondContact O-N 3.43Å; Y94-E96 VanDerWaalsContact C-N 3.34Å; E96-I98 VanDerWaalsContact C-N 3.34Å; E96-I98 PolarHBondContact O-N 3.05Å; E96-K99 WeakPolarHBondContact O-CB 3.35Å; E96-K99 PolarHBondContact O-N 3.34Å; E96-K99 VanDerWaalsContact O-N 3.1Å; E96-E100 PolarHBondContact O-N 3.16Å
97	C	89.6	Confident	89.8	Confident	65 Å²	65	103.8 Å²	103.8	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-61	-39.8	175.3	-174	0	0	0	0	112.6	P93 Y94 K99 E100 L101	P93-C97 WeakPolarHBondContact O-CB 3.39Å; P93-C97 PolarHBondContact O-N 3.12Å; Y94-C97 PolarHBondContact O-N 3.36Å; C97-K99 VanDerWaalsContact C-N 3.31Å; C97-K99 PolarHBondContact O-N 3.48Å; C97-E100 PolarHBondContact O-N 3.49Å; C97-L101 WeakPolarHBondContact O-CB 3.24Å; C97-L101 PolarHBondContact O-N 3.47Å
98	I	90.2	Very high	89.8	Confident	112 Å²	112	104.5 Å²	104.5	57%	0.574	53%	0.525	S	S	*	.	H	α-helix	trans	-62.9	-38.9	174.7	-70.5	166	0	0	0	110.8	Y94 I95 E96 L101 N102	Y94-I98 VanDerWaalsContact O-CG1 3.3Å; Y94-I98 WeakPolarHBondContact O-CG1 3.48Å; Y94-I98 PolarHBondContact O-N 3.12Å; I95-I98 PolarHBondContact O-N 3.35Å; E96-I98 VanDerWaalsContact C-N 3.34Å; E96-I98 PolarHBondContact O-N 3.05Å; I98-L101 PolarHBondContact O-N 3.43Å; I98-N102 WeakPolarHBondContact O-CB 3.39Å; I98-N102 PolarHBondContact O-N 2.99Å
99	K	90.8	Very high	89.9	Confident	144 Å²	144	105.1 Å²	105.1	63%	0.626	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-43.6	175.3	-71.8	174.3	-179.2	176.9	0	111.7	I95 E96 C97 N102 E103	I95-K99 WeakPolarHBondContact O-CG 3.45Å; I95-K99 PolarHBondContact O-N 3.31Å; I95-K99 VanDerWaalsContact O-N 3.09Å; E96-K99 WeakPolarHBondContact O-CB 3.35Å; E96-K99 PolarHBondContact O-N 3.34Å; E96-K99 VanDerWaalsContact O-N 3.1Å; C97-K99 VanDerWaalsContact C-N 3.31Å; C97-K99 PolarHBondContact O-N 3.48Å; K99-N102 PolarHBondContact O-N 3.4Å; K99-E103 PolarHBondContact O-N 2.83Å
100	E	91.4	Very high	90	Very high	128 Å²	128	106.3 Å²	106.3	60%	0.598	53%	0.531	S	S	*	.	H	α-helix	trans	-62.6	-43.8	174.9	-69	-178	174	0	0	111.8	E96 C97 N102 E103 I104	E96-E100 PolarHBondContact O-N 3.16Å; C97-E100 PolarHBondContact O-N 3.49Å; E100-N102 VanDerWaalsContact C-N 3.32Å; E100-N102 PolarHBondContact O-N 3.49Å; E100-E103 PolarHBondContact O-N 2.8Å; E100-I104 WeakPolarHBondContact O-CG1 3.48Å; E100-I104 PolarHBondContact O-N 3.02Å
101	L	90.2	Very high	90	Very high	105 Å²	105	106.5 Å²	106.5	55%	0.55	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-40.3	175.4	-104.5	167	0	0	0	112.1	C97 I98 E103 I104 S105	C97-L101 WeakPolarHBondContact O-CB 3.24Å; C97-L101 PolarHBondContact O-N 3.47Å; I98-L101 PolarHBondContact O-N 3.43Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-I104 PolarHBondContact O-N 3.26Å; L101-S105 WeakPolarHBondContact O-CB 3.41Å; L101-S105 PolarHBondContact O-N 3.35Å
102	N	90	Very high	90	Very high	103 Å²	103	104.6 Å²	104.6	55%	0.551	53%	0.527	S	S	*	.	H	α-helix	trans	-64.7	-40.1	176.5	-167.8	36.3	0	0	0	111.3	I98 K99 E100 I104 S105 V106	I98-N102 WeakPolarHBondContact O-CB 3.39Å; I98-N102 PolarHBondContact O-N 2.99Å; K99-N102 PolarHBondContact O-N 3.4Å; E100-N102 VanDerWaalsContact C-N 3.32Å; E100-N102 PolarHBondContact O-N 3.49Å; N102-I104 VanDerWaalsContact C-N 3.34Å; N102-I104 PolarHBondContact O-N 2.89Å; N102-S105 WeakPolarHBondContact O-CB 3.45Å; N102-S105 PolarHBondContact O-N 3.42Å; N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.27Å
103	E	91.4	Very high	90	Very high	135 Å²	135	107 Å²	107	63%	0.631	53%	0.534	S	S	*	.	H	α-helix	trans	-63.2	-39.6	174.7	-166.2	178.6	171.8	0	0	112	K99 E100 L101 R107	K99-E103 PolarHBondContact O-N 2.83Å; E100-E103 PolarHBondContact O-N 2.8Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.27Å; E103-R107 VanDerWaalsContact O-N 3.13Å
104	I	91	Very high	89.9	Confident	107 Å²	107	106.9 Å²	106.9	55%	0.549	53%	0.532	S	S	.	.	H	α-helix	trans	-64.3	-42.8	172.4	-64.9	168.2	0	0	0	110.9	E100 L101 N102 R107 L108	E100-I104 WeakPolarHBondContact O-CG1 3.48Å; E100-I104 PolarHBondContact O-N 3.02Å; L101-I104 PolarHBondContact O-N 3.26Å; N102-I104 VanDerWaalsContact C-N 3.34Å; N102-I104 PolarHBondContact O-N 2.89Å; I104-R107 PolarHBondContact O-N 3.28Å; I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 PolarHBondContact O-N 2.58Å
105	S	89.1	Confident	89.7	Confident	48 Å²	48	104.7 Å²	104.7	34%	0.336	53%	0.531	S	S	.	.	H	α-helix	trans	-60.6	-46.8	178.4	-166.8	0	0	0	0	111.5	L101 N102 R107 L108 E109	L101-S105 WeakPolarHBondContact O-CB 3.41Å; L101-S105 PolarHBondContact O-N 3.35Å; N102-S105 WeakPolarHBondContact O-CB 3.45Å; N102-S105 PolarHBondContact O-N 3.42Å; S105-R107 VanDerWaalsContact C-N 3.3Å; S105-R107 PolarHBondContact O-N 3.26Å; S105-L108 CarbonylContact O-C 3.52Å; S105-L108 WeakPolarHBondContact O-CA 3.5Å; S105-L108 WeakPolarHBondContact O-CB 3.46Å; S105-L108 PolarHBondContact O-N 3.45Å; S105-E109 WeakPolarHBondContact O-CG 3.5Å; S105-E109 PolarHBondContact O-N 2.79Å
106	V	90.8	Very high	89.6	Confident	59 Å²	59	103.8 Å²	103.8	36%	0.358	53%	0.527	S	S	.	.	H	α-helix	trans	-60.5	-40.2	176.6	172.3	0	0	0	0	111.3	N102 L108 E109 Q110	N102-V106 WeakPolarHBondContact O-CG2 3.48Å; N102-V106 PolarHBondContact O-N 3.27Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-E109 PolarHBondContact O-N 2.96Å; V106-Q110 WeakPolarHBondContact O-CG 3.42Å; V106-Q110 PolarHBondContact O-N 3.47Å
107	R	91.2	Very high	89.3	Confident	179 Å²	179	100.4 Å²	100.4	68%	0.675	51%	0.512	S	S	*	.	H	α-helix	trans	-66.3	-37.1	174.3	-72.3	-178.9	65	178	-0.9	112.3	E103 I104 S105 Q110 A111	E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.27Å; E103-R107 VanDerWaalsContact O-N 3.13Å; I104-R107 PolarHBondContact O-N 3.28Å; S105-R107 VanDerWaalsContact C-N 3.3Å; S105-R107 PolarHBondContact O-N 3.26Å; R107-Q110 PolarHBondContact O-N 3.07Å; R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.31Å
108	L	89.9	Confident	88.8	Confident	122 Å²	122	105.1 Å²	105.1	64%	0.639	52%	0.522	S	S	*	.	H	α-helix	trans	-67.7	-39.8	176.3	-160.9	82.1	0	0	0	111.1	I104 S105 V106 A111 A112	I104-L108 WeakPolarHBondContact O-CB 3.42Å; I104-L108 PolarHBondContact O-N 2.58Å; S105-L108 CarbonylContact O-C 3.52Å; S105-L108 WeakPolarHBondContact O-CA 3.5Å; S105-L108 WeakPolarHBondContact O-CB 3.46Å; S105-L108 PolarHBondContact O-N 3.45Å; V106-L108 VanDerWaalsContact C-N 3.35Å; L108-A111 CarbonylContact O-C 3.55Å; L108-A111 WeakPolarHBondContact O-CB 3.47Å; L108-A111 PolarHBondContact O-N 3.19Å; L108-A112 WeakPolarHBondContact O-CB 3.22Å; L108-A112 PolarHBondContact O-N 2.86Å
109	E	88.7	Confident	88.4	Confident	123 Å²	123	102.4 Å²	102.4	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-62.7	-43.1	173.6	-75.5	174.2	-170.7	0	0	111.7	S105 V106 A111 A112 Y113	S105-E109 WeakPolarHBondContact O-CG 3.5Å; S105-E109 PolarHBondContact O-N 2.79Å; V106-E109 PolarHBondContact O-N 2.96Å; E109-A111 VanDerWaalsContact C-N 3.33Å; E109-A111 PolarHBondContact O-N 3.19Å; E109-A112 PolarHBondContact O-N 2.62Å; E109-Y113 WeakPolarHBondContact O-CB 3.36Å; E109-Y113 PolarHBondContact O-N 3.34Å
110	Q	90.2	Very high	87.8	Confident	122 Å²	122	100.7 Å²	100.7	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-39.8	173.6	-72	174.8	1.7	0	0	111.8	V106 R107 Y113 T114	V106-Q110 WeakPolarHBondContact O-CG 3.42Å; V106-Q110 PolarHBondContact O-N 3.47Å; R107-Q110 PolarHBondContact O-N 3.07Å; Q110-Y113 PolarHBondContact O-N 3.23Å; Q110-T114 WeakPolarHBondContact O-CG2 3.42Å; Q110-T114 PolarHBondContact O-N 2.88Å; Q110-T114 PolarHBondContact O-OG1 2.85Å
111	A	88.5	Confident	87.1	Confident	43 Å²	43	100 Å²	100	36%	0.355	50%	0.5	S	S	.	.	H	α-helix	trans	-65.2	-41.2	174.4	0	0	0	0	0	111.6	R107 L108 E109 T114 L115	R107-A111 WeakPolarHBondContact O-CB 3.44Å; R107-A111 PolarHBondContact O-N 3.31Å; L108-A111 CarbonylContact O-C 3.55Å; L108-A111 WeakPolarHBondContact O-CB 3.47Å; L108-A111 PolarHBondContact O-N 3.19Å; E109-A111 VanDerWaalsContact C-N 3.33Å; E109-A111 PolarHBondContact O-N 3.19Å; A111-T114 WeakPolarHBondContact CA-OG1 3.26Å; A111-T114 PolarHBondContact O-N 2.91Å; A111-T114 PolarHBondContact O-OG1 2.8Å; A111-L115 WeakPolarHBondContact O-CB 3.49Å; A111-L115 PolarHBondContact O-N 2.89Å
112	A	88.5	Confident	86.2	Confident	56 Å²	56	100.4 Å²	100.4	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-66.6	-41.4	176.6	0	0	0	0	0	111.7	L108 E109 L115 D116	L108-A112 WeakPolarHBondContact O-CB 3.22Å; L108-A112 PolarHBondContact O-N 2.86Å; E109-A112 PolarHBondContact O-N 2.62Å; A112-L115 CarbonylContact O-C 3.58Å; A112-L115 WeakPolarHBondContact O-CB 3.37Å; A112-L115 PolarHBondContact O-N 2.79Å; A112-D116 WeakPolarHBondContact O-CB 3.22Å; A112-D116 PolarHBondContact O-N 3.43Å
113	Y	88.7	Confident	84.8	Confident	150 Å²	150	104 Å²	104	59%	0.588	51%	0.508	S	S	*	.	H	α-helix	trans	-64.6	-41.4	175.4	-176.8	-99.5	0	0	0	112	E109 Q110 D116 N117	E109-Y113 WeakPolarHBondContact O-CB 3.36Å; E109-Y113 PolarHBondContact O-N 3.34Å; Q110-Y113 PolarHBondContact O-N 3.23Å; Y113-D116 PolarHBondContact O-N 2.95Å; Y113-N117 WeakPolarHBondContact CD1-ND2 2.89Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.46Å; Y113-N117 VanDerWaalsContact O-CG 3.25Å; Y113-N117 PolarHBondContact O-N 2.88Å; Y113-N117 PolarHBondContact O-ND2 3.08Å
114	T	88.7	Confident	83.1	Confident	71 Å²	71	102 Å²	102	44%	0.436	50%	0.499	S	S	.	.	H	α-helix	trans	-66.4	-40.9	174.2	47.3	0	0	0	0	111.5	Q110 A111 N117 Y118	Q110-T114 WeakPolarHBondContact O-CG2 3.42Å; Q110-T114 PolarHBondContact O-N 2.88Å; Q110-T114 PolarHBondContact O-OG1 2.85Å; A111-T114 WeakPolarHBondContact CA-OG1 3.26Å; A111-T114 PolarHBondContact O-N 2.91Å; A111-T114 PolarHBondContact O-OG1 2.8Å; T114-N117 PolarHBondContact O-N 2.91Å; T114-Y118 WeakPolarHBondContact O-CD2 3.02Å; T114-Y118 PolarHBondContact O-N 2.8Å
115	L	86.7	Confident	81.3	Confident	112 Å²	112	101.4 Å²	101.4	59%	0.586	50%	0.495	S	S	*	.	H	α-helix	trans	-60.6	-44.2	171	-95.9	151.8	0	0	0	112.4	A111 A112 N117 Y118 V119	A111-L115 WeakPolarHBondContact O-CB 3.49Å; A111-L115 PolarHBondContact O-N 2.89Å; A112-L115 CarbonylContact O-C 3.58Å; A112-L115 WeakPolarHBondContact O-CB 3.37Å; A112-L115 PolarHBondContact O-N 2.79Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.07Å; L115-Y118 CarbonylContact O-C 3.56Å; L115-Y118 PolarHBondContact O-N 2.99Å; L115-V119 WeakPolarHBondContact O-CB 3.37Å; L115-V119 VanDerWaalsContact O-CG2 3.24Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.4Å
116	D	85.6	Confident	79.5	Confident	67 Å²	67	101.6 Å²	101.6	36%	0.358	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-39.8	177.2	-175.9	55.2	0	0	0	111	A112 Y113 V119 K120	A112-D116 WeakPolarHBondContact O-CB 3.22Å; A112-D116 PolarHBondContact O-N 3.43Å; Y113-D116 PolarHBondContact O-N 2.95Å; D116-V119 CarbonylContact O-C 3.43Å; D116-V119 PolarHBondContact O-N 3.08Å; D116-K120 WeakPolarHBondContact O-CB 3.42Å; D116-K120 VanDerWaalsContact O-CG 3.3Å; D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.75Å; D116-K120 WeakPolarHBondContact OD2-CE 3.35Å; D116-K120 IonicContact OD2-NZ 2.75Å; D116-K120 PolarHBondContact OD2-NZ 2.98Å
117	N	84.9	Confident	77.2	Confident	57 Å²	57	105 Å²	105	31%	0.305	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-43.8	172.5	-69.3	-25	0	0	0	112	Y113 T114 L115 V119 K120 E121	Y113-N117 WeakPolarHBondContact CD1-ND2 2.89Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3.46Å; Y113-N117 VanDerWaalsContact O-CG 3.25Å; Y113-N117 PolarHBondContact O-N 2.88Å; Y113-N117 PolarHBondContact O-ND2 3.08Å; T114-N117 PolarHBondContact O-N 2.91Å; L115-N117 VanDerWaalsContact C-N 3.31Å; L115-N117 PolarHBondContact O-N 3.07Å; N117-V119 VanDerWaalsContact C-N 3.3Å; N117-V119 PolarHBondContact O-N 3.37Å; N117-K120 PolarHBondContact O-N 2.72Å; N117-E121 WeakPolarHBondContact O-CG 3.44Å; N117-E121 PolarHBondContact O-N 3.1Å
118	Y	79.1	Confident	75	Confident	165 Å²	165	103.6 Å²	103.6	65%	0.647	51%	0.509	S	S	*	.	H	α-helix	trans	-61.9	-38.8	173	-83.4	-66.9	0	0	0	112.1	T114 L115 E121 L122	T114-Y118 WeakPolarHBondContact O-CD2 3.02Å; T114-Y118 PolarHBondContact O-N 2.8Å; L115-Y118 CarbonylContact O-C 3.56Å; L115-Y118 PolarHBondContact O-N 2.99Å; Y118-E121 PolarHBondContact O-N 3.47Å; Y118-L122 VanDerWaalsContact O-CB 3.25Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 VanDerWaalsContact O-CG 3.25Å; Y118-L122 WeakPolarHBondContact O-CG 3.19Å; Y118-L122 PolarHBondContact O-N 3.19Å
119	V	80	Confident	72.7	Confident	54 Å²	54	105.8 Å²	105.8	33%	0.327	52%	0.516	S	S	.	.	H	α-helix	trans	-67.9	-37.5	175.8	168.9	0	0	0	0	110.5	L115 D116 N117 R123	L115-V119 WeakPolarHBondContact O-CB 3.37Å; L115-V119 VanDerWaalsContact O-CG2 3.24Å; L115-V119 WeakPolarHBondContact O-CG2 3.39Å; L115-V119 PolarHBondContact O-N 3.4Å; D116-V119 CarbonylContact O-C 3.43Å; D116-V119 PolarHBondContact O-N 3.08Å; N117-V119 VanDerWaalsContact C-N 3.3Å; N117-V119 PolarHBondContact O-N 3.37Å; V119-R123 HydrophobicContact CG1-CG 4.3Å; V119-R123 WeakPolarHBondContact O-CA 3.42Å; V119-R123 WeakPolarHBondContact O-CB 3.22Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 PolarHBondContact O-N 2.88Å
120	K	78.2	Confident	70.3	Confident	108 Å²	108	103.1 Å²	103.1	47%	0.47	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-42.9	173.9	-79	167	174.3	159.5	0	111.6	D116 N117 R123 H124	D116-K120 WeakPolarHBondContact O-CB 3.42Å; D116-K120 VanDerWaalsContact O-CG 3.3Å; D116-K120 WeakPolarHBondContact O-CG 3.35Å; D116-K120 PolarHBondContact O-N 2.75Å; D116-K120 WeakPolarHBondContact OD2-CE 3.35Å; D116-K120 IonicContact OD2-NZ 2.75Å; D116-K120 PolarHBondContact OD2-NZ 2.98Å; N117-K120 PolarHBondContact O-N 2.72Å; K120-R123 CarbonylContact O-C 3.2Å; K120-R123 PolarHBondContact O-N 2.87Å; K120-H124 VanDerWaalsContact O-CB 3.3Å; K120-H124 WeakPolarHBondContact O-CB 3.24Å; K120-H124 PolarHBondContact O-N 3.43Å
121	E	77.1	Confident	67.7	Low	115 Å²	115	105.1 Å²	105.1	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-45.7	174.4	-73	-61.2	148.2	0	0	111.1	N117 Y118 R123 H124 I125	N117-E121 WeakPolarHBondContact O-CG 3.44Å; N117-E121 PolarHBondContact O-N 3.1Å; Y118-E121 PolarHBondContact O-N 3.47Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.49Å; E121-H124 PolarHBondContact O-N 2.95Å; E121-H124 VanDerWaalsContact O-N 3.15Å; E121-I125 WeakPolarHBondContact O-CB 3.19Å; E121-I125 VanDerWaalsContact O-CG1 3.24Å; E121-I125 WeakPolarHBondContact O-CG1 3.35Å; E121-I125 PolarHBondContact O-N 3.48Å
122	L	71.1	Confident	65.4	Low	112 Å²	112	106.7 Å²	106.7	59%	0.586	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-40.3	173.1	-77.9	168.7	0	0	0	111.6	Y118 I125 A126	Y118-L122 VanDerWaalsContact O-CB 3.25Å; Y118-L122 WeakPolarHBondContact O-CB 3.38Å; Y118-L122 VanDerWaalsContact O-CG 3.25Å; Y118-L122 WeakPolarHBondContact O-CG 3.19Å; Y118-L122 PolarHBondContact O-N 3.19Å; L122-I125 PolarHBondContact O-N 3.3Å; L122-A126 WeakPolarHBondContact O-CA 3.48Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 3.43Å
123	R	61.1	Low	63.6	Low	179 Å²	179	107.3 Å²	107.3	68%	0.675	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-44.1	173.1	-82.6	177.7	-175.2	-164.9	3.8	109.6	V119 K120 E121 A126 F127	V119-R123 HydrophobicContact CG1-CG 4.3Å; V119-R123 WeakPolarHBondContact O-CA 3.42Å; V119-R123 WeakPolarHBondContact O-CB 3.22Å; V119-R123 WeakPolarHBondContact O-CG 3.38Å; V119-R123 PolarHBondContact O-N 2.88Å; K120-R123 CarbonylContact O-C 3.2Å; K120-R123 PolarHBondContact O-N 2.87Å; E121-R123 VanDerWaalsContact C-N 3.32Å; E121-R123 PolarHBondContact O-N 3.49Å; R123-A126 CarbonylContact O-C 3.22Å; R123-A126 PolarHBondContact O-N 3.08Å; R123-F127 WeakPolarHBondContact O-CA 3.46Å; R123-F127 WeakPolarHBondContact O-CB 3.31Å; R123-F127 PolarHBondContact O-N 3.4Å
124	H	55.7	Low	62.1	Low	94 Å²	94	103.7 Å²	103.7	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-67.8	-37.2	180	-179.4	-112.1	0	0	0	112.3	K120 E121 F127 K128	K120-H124 VanDerWaalsContact O-CB 3.3Å; K120-H124 WeakPolarHBondContact O-CB 3.24Å; K120-H124 PolarHBondContact O-N 3.43Å; E121-H124 PolarHBondContact O-N 2.95Å; E121-H124 VanDerWaalsContact O-N 3.15Å; H124-F127 PolarHBondContact O-N 2.84Å; H124-K128 PolarHBondContact O-N 2.84Å
125	I	54.4	Low	60.9	Low	94 Å²	94	107 Å²	107	48%	0.482	53%	0.531	S	S	.	.	H	α-helix	trans	-68.3	-48.2	173.2	-65.2	168.2	0	0	0	110.1	E121 L122 F127 K128 E129	E121-I125 WeakPolarHBondContact O-CB 3.19Å; E121-I125 VanDerWaalsContact O-CG1 3.24Å; E121-I125 WeakPolarHBondContact O-CG1 3.35Å; E121-I125 PolarHBondContact O-N 3.48Å; L122-I125 PolarHBondContact O-N 3.3Å; I125-F127 VanDerWaalsContact C-N 3.28Å; I125-F127 PolarHBondContact O-N 3.48Å; I125-K128 PolarHBondContact O-N 3.47Å; I125-E129 PolarHBondContact O-N 3.27Å; I125-E129 VanDerWaalsContact O-N 3.16Å
126	A	49.8	Very low	60.2	Low	52 Å²	52	105.6 Å²	105.6	43%	0.43	53%	0.527	S	S	.	.	H	α-helix	trans	-63.6	-32.9	174.3	0	0	0	0	0	112.1	L122 R123 K128 E129 A130	L122-A126 WeakPolarHBondContact O-CA 3.48Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 3.43Å; R123-A126 CarbonylContact O-C 3.22Å; R123-A126 PolarHBondContact O-N 3.08Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 2.62Å; A126-E129 PolarHBondContact O-N 3.16Å; A126-A130 WeakPolarHBondContact O-CA 3.33Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.19Å
127	F	43.5	Very low	59.6	Low	131 Å²	131	104.5 Å²	104.5	58%	0.575	52%	0.524	S	S	*	.	H	α-helix	trans	-72.7	-25.2	178.1	-168.9	-93.3	0	0	0	111.2	R123 H124 I125 F131	R123-F127 WeakPolarHBondContact O-CA 3.46Å; R123-F127 WeakPolarHBondContact O-CB 3.31Å; R123-F127 PolarHBondContact O-N 3.4Å; H124-F127 PolarHBondContact O-N 2.84Å; I125-F127 VanDerWaalsContact C-N 3.28Å; I125-F127 PolarHBondContact O-N 3.48Å; F127-F131 AromaticContact CD1-CE2 3.96Å; F127-F131 HydrophobicContact CD1-CE2 3.96Å; F127-F131 AromaticContact CE1-CE2 3.79Å; F127-F131 HydrophobicContact CE1-CE2 3.79Å; F127-F131 AromaticContact CE1-CZ 3.95Å; F127-F131 HydrophobicContact CE1-CZ 3.95Å; F127-F131 HydrophobicContact CZ-CE2 4.29Å; F127-F131 HydrophobicContact CZ-CZ 4.09Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 WeakPolarHBondContact O-CE2 3.28Å
128	K	45.6	Very low	59.3	Low	148 Å²	148	103 Å²	103	64%	0.643	52%	0.518	S	S	*	.	H	α-helix	trans	-78.9	-30.4	169.2	-78.3	-175.8	178.4	-178.7	0	113.1	H124 I125 A126	H124-K128 PolarHBondContact O-N 2.84Å; I125-K128 PolarHBondContact O-N 3.47Å; A126-K128 VanDerWaalsContact C-N 3.3Å; A126-K128 PolarHBondContact O-N 2.62Å
129	E	40	Very low	59.3	Low	168 Å²	168	101.8 Å²	101.8	79%	0.785	51%	0.512	S	S	*	.	H	α-helix	trans	-92.2	-21.5	179.8	-71.2	-173.6	162.2	0	0	114.4	I125 A126 F131	I125-E129 PolarHBondContact O-N 3.27Å; I125-E129 VanDerWaalsContact O-N 3.16Å; A126-E129 PolarHBondContact O-N 3.16Å; E129-F131 PolarHBondContact O-N 3.16Å
130	A	38.5	Very low	59.5	Low	68 Å²	68	108.2 Å²	108.2	56%	0.562	53%	0.531	S	S	*	.			trans	-94.7	18.4	-170.7	0	0	0	0	0	115.9	A126 A132	A126-A130 WeakPolarHBondContact O-CA 3.33Å; A126-A130 WeakPolarHBondContact O-CB 3.44Å; A126-A130 PolarHBondContact O-N 3.19Å; A130-A132 PolarHBondContact O-N 3.05Å
131	F	36.6	Very low	59.9	Low	163 Å²	163	103.4 Å²	103.4	72%	0.715	51%	0.509	S	S	*	.			trans	-72.1	22	-177.9	-99.3	-75.7	0	0	0	116.1	F127 E129	F127-F131 AromaticContact CD1-CE2 3.96Å; F127-F131 HydrophobicContact CD1-CE2 3.96Å; F127-F131 AromaticContact CE1-CE2 3.79Å; F127-F131 HydrophobicContact CE1-CE2 3.79Å; F127-F131 AromaticContact CE1-CZ 3.95Å; F127-F131 HydrophobicContact CE1-CZ 3.95Å; F127-F131 HydrophobicContact CZ-CE2 4.29Å; F127-F131 HydrophobicContact CZ-CZ 4.09Å; F127-F131 WeakPolarHBondContact O-CD2 3.2Å; F127-F131 WeakPolarHBondContact O-CE2 3.28Å; E129-F131 PolarHBondContact O-N 3.16Å
132	A	40	Very low	60.4	Low	76 Å²	76	99.7 Å²	99.7	63%	0.628	49%	0.493	S	S	*	.	S	Bend	trans	-136.7	121.3	157.4	0	0	0	0	0	107.8	A130 D134	A130-A132 PolarHBondContact O-N 3.05Å; A132-D134 VanDerWaalsContact C-N 3.27Å; A132-D134 PolarHBondContact O-N 3.17Å
133	M	49.7	Very low	61.2	Low	70 Å²	70	96.2 Å²	96.2	35%	0.345	48%	0.479	S	S	.	.			trans	-56.6	102.8	157.8	-98.2	-104	139.8	0	0	106.2	V165 I168	M133-V165 HydrophobicContact CB-CG2 4.21Å; M133-V165 HydrophobicContact CG-CG2 4.14Å; M133-I168 HydrophobicContact CG-CD1 3.93Å
134	D	57.8	Low	62.5	Low	74 Å²	74	90.1 Å²	90.1	40%	0.396	46%	0.457	S	S	.	.			trans	-67.5	155.3	177.3	64.9	-3.1	0	0	0	109.3	A132 T136 S137 C138	A132-D134 VanDerWaalsContact C-N 3.27Å; A132-D134 PolarHBondContact O-N 3.17Å; D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-OG1 2.88Å; D134-T136 WeakPolarHBondContact OD2-CB 3.4Å; D134-T136 PolarHBondContact OD2-OG1 3.41Å; D134-S137 PolarHBondContact O-N 3.15Å; D134-S137 WeakPolarHBondContact OD1-CA 3.14Å; D134-S137 WeakPolarHBondContact OD1-CB 3.08Å; D134-S137 PolarHBondContact OD1-N 3.48Å; D134-S137 PolarHBondContact OD1-OG 2.93Å; D134-C138 PolarHBondContact O-N 2.85Å
135	E	64.1	Low	64.1	Low	141 Å²	141	85.7 Å²	85.7	66%	0.659	44%	0.436	S	S	*	.	H	α-helix	trans	-55.6	-20.6	177.9	-157.8	-168.3	166.9	0	0	111.9	R139	E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 VanDerWaalsContact O-CG 3.28Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 3.44Å; E135-R139 PolarHBondContact O-NE 2.93Å; E135-R139 VanDerWaalsContact O-NE 3.12Å; E135-R139 IonicContact OE1-CZ 2.97Å; E135-R139 IonicContact OE1-NH1 3.49Å; E135-R139 IonicContact OE1-NH2 3.32Å; E135-R139 PolarHBondContact OE1-NH2 2.99Å; E135-R139 IonicContact OE2-CZ 2.77Å; E135-R139 IonicContact OE2-NH2 3.36Å; E135-R139 PolarHBondContact OE2-NH2 3.34Å
136	T	71.4	Confident	65.7	Low	81 Å²	81	88.5 Å²	88.5	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-73.1	-42.3	175.2	7.7	0	0	0	0	113.3	D134 R139 R140	D134-T136 PolarHBondContact O-N 3.47Å; D134-T136 PolarHBondContact OD1-OG1 2.88Å; D134-T136 WeakPolarHBondContact OD2-CB 3.4Å; D134-T136 PolarHBondContact OD2-OG1 3.41Å; T136-R139 WeakPolarHBondContact O-CB 3.13Å; T136-R139 PolarHBondContact O-N 2.95Å; T136-R140 WeakPolarHBondContact O-CB 3.4Å; T136-R140 PolarHBondContact O-N 3.2Å
137	S	73.3	Confident	67.4	Low	45 Å²	45	92.9 Å²	92.9	32%	0.315	46%	0.46	S	S	.	.	H	α-helix	trans	-69.1	-41.4	177.8	-63.7	0	0	0	0	111.7	D134 R139 R140 F141	D134-S137 PolarHBondContact O-N 3.15Å; D134-S137 WeakPolarHBondContact OD1-CA 3.14Å; D134-S137 WeakPolarHBondContact OD1-CB 3.08Å; D134-S137 PolarHBondContact OD1-N 3.48Å; D134-S137 PolarHBondContact OD1-OG 2.93Å; S137-R139 VanDerWaalsContact C-N 3.34Å; S137-R139 PolarHBondContact O-N 3.21Å; S137-R140 PolarHBondContact O-N 2.91Å; S137-F141 PolarHBondContact O-N 3.4Å
138	C	78.7	Confident	69.4	Low	24 Å²	24	89.3 Å²	89.3	16%	0.162	45%	0.452	C	S	.	.	H	α-helix	trans	-60.7	-44.1	171.5	-61.2	0	0	0	0	111	D134 R140 F141 L142 T161	D134-C138 PolarHBondContact O-N 2.85Å; C138-R140 VanDerWaalsContact C-N 3.31Å; C138-R140 PolarHBondContact O-N 3.31Å; C138-F141 PolarHBondContact O-N 3.23Å; C138-L142 WeakPolarHBondContact O-CB 3.09Å; C138-L142 VanDerWaalsContact O-CG 3.3Å; C138-L142 WeakPolarHBondContact O-CG 3.33Å; C138-L142 PolarHBondContact O-N 3.35Å; C138-T161 HydrophobicContact CB-CG2 3.84Å; C138-T161 WeakPolarHBondContact SG-CG2 3.3Å
139	R	79.5	Confident	71.3	Confident	140 Å²	140	84.6 Å²	84.6	53%	0.528	45%	0.445	S	S	.	.	H	α-helix	trans	-60.6	-38.7	174.4	-86.2	-175.6	-86	-144.5	-5	112.7	E135 T136 S137 S143	E135-R139 WeakPolarHBondContact O-CB 3.23Å; E135-R139 VanDerWaalsContact O-CG 3.28Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 3.44Å; E135-R139 PolarHBondContact O-NE 2.93Å; E135-R139 VanDerWaalsContact O-NE 3.12Å; E135-R139 IonicContact OE1-CZ 2.97Å; E135-R139 IonicContact OE1-NH1 3.49Å; E135-R139 IonicContact OE1-NH2 3.32Å; E135-R139 PolarHBondContact OE1-NH2 2.99Å; E135-R139 IonicContact OE2-CZ 2.77Å; E135-R139 IonicContact OE2-NH2 3.36Å; E135-R139 PolarHBondContact OE2-NH2 3.34Å; T136-R139 WeakPolarHBondContact O-CB 3.13Å; T136-R139 PolarHBondContact O-N 2.95Å; S137-R139 VanDerWaalsContact C-N 3.34Å; S137-R139 PolarHBondContact O-N 3.21Å; R139-S143 WeakPolarHBondContact O-CB 3.24Å; R139-S143 PolarHBondContact O-N 3.12Å
140	R	83.3	Confident	73.5	Confident	190 Å²	190	77.4 Å²	77.4	72%	0.717	41%	0.412	S	S	*	.	H	α-helix	trans	-68.4	-43.8	178.4	-155	177.2	-165.8	171.7	3.1	111.4	T136 S137 C138 S143	T136-R140 WeakPolarHBondContact O-CB 3.4Å; T136-R140 PolarHBondContact O-N 3.2Å; S137-R140 PolarHBondContact O-N 2.91Å; C138-R140 VanDerWaalsContact C-N 3.31Å; C138-R140 PolarHBondContact O-N 3.31Å; R140-S143 WeakPolarHBondContact O-CB 3.46Å; R140-S143 PolarHBondContact O-N 3.49Å; R140-S143 PolarHBondContact O-OG 3.34Å
141	F	86.1	Confident	75.8	Confident	6 Å²	6	80.1 Å²	80.1	3%	0.026	41%	0.413	C	S	.	.	H	α-helix	trans	-58.6	-50.5	172.9	171.1	-107.9	0	0	0	111.9	S137 C138 S143 F144 F145 L160 V164 F176 A177	S137-F141 PolarHBondContact O-N 3.4Å; C138-F141 PolarHBondContact O-N 3.23Å; F141-S143 PolarHBondContact O-N 3.18Å; F141-F144 WeakPolarHBondContact O-CD2 3.42Å; F141-F144 PolarHBondContact O-N 3.39Å; F141-F145 HydrophobicContact CD1-CE2 4.5Å; F141-F145 AromaticContact CE1-CE2 3.91Å; F141-F145 HydrophobicContact CE1-CE2 3.91Å; F141-F145 AromaticContact CE2-CE2 3.95Å; F141-F145 HydrophobicContact CE2-CE2 3.95Å; F141-F145 HydrophobicContact CE2-CZ 4.45Å; F141-F145 AromaticContact CZ-CE2 3.61Å; F141-F145 HydrophobicContact CZ-CE2 3.61Å; F141-F145 HydrophobicContact CZ-CZ 4.01Å; F141-L160 HydrophobicContact CE1-CB 3.86Å; F141-L160 HydrophobicContact CZ-CB 4.23Å; F141-V164 HydrophobicContact CD1-CG2 4.33Å; F141-V164 HydrophobicContact CD2-CG2 4.15Å; F141-V164 HydrophobicContact CE1-CG2 3.87Å; F141-V164 HydrophobicContact CE2-CG2 3.67Å; F141-V164 HydrophobicContact CG-CG2 4.46Å; F141-V164 HydrophobicContact CZ-CG2 3.52Å; F141-F176 AromaticContact CE2-CD1 3.88Å; F141-F176 HydrophobicContact CE2-CD1 3.88Å; F141-F176 HydrophobicContact CE2-CE1 4.39Å; F141-F176 HydrophobicContact CZ-CD1 4.04Å; F141-F176 HydrophobicContact CZ-CE1 4.09Å; F141-A177 HydrophobicContact CD2-CB 4.19Å; F141-A177 HydrophobicContact CE2-CB 3.86Å
142	L	88	Confident	78.3	Confident	37 Å²	37	73.9 Å²	73.9	19%	0.194	39%	0.387	C	S	.	.	H	α-helix	trans	-64.9	-22.6	177.9	-65.9	174.3	0	0	0	112.9	C138 F144 F145 K146 L152 A157	C138-L142 WeakPolarHBondContact O-CB 3.09Å; C138-L142 VanDerWaalsContact O-CG 3.3Å; C138-L142 WeakPolarHBondContact O-CG 3.33Å; C138-L142 PolarHBondContact O-N 3.35Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.19Å; L142-F145 PolarHBondContact O-N 3.45Å; L142-K146 PolarHBondContact O-N 2.91Å; L142-L152 HydrophobicContact CD2-CD1 3.69Å; L142-A157 HydrophobicContact CD1-CB 4.12Å; L142-A157 HydrophobicContact CD2-CB 3.83Å
143	S	87.9	Confident	80.7	Confident	40 Å²	40	74.3 Å²	74.3	28%	0.28	38%	0.375	S	S	.	.	H	α-helix	trans	-66.1	-29	177.2	81	0	0	0	0	113.1	R139 R140 F141 F145 K146 L147	R139-S143 WeakPolarHBondContact O-CB 3.24Å; R139-S143 PolarHBondContact O-N 3.12Å; R140-S143 WeakPolarHBondContact O-CB 3.46Å; R140-S143 PolarHBondContact O-N 3.49Å; R140-S143 PolarHBondContact O-OG 3.34Å; F141-S143 PolarHBondContact O-N 3.18Å; S143-F145 VanDerWaalsContact C-N 3.3Å; S143-F145 PolarHBondContact O-N 2.93Å; S143-K146 PolarHBondContact O-N 3.14Å; S143-L147 WeakPolarHBondContact O-CB 3.45Å; S143-L147 WeakPolarHBondContact O-CG 3.33Å; S143-L147 PolarHBondContact O-N 3.3Å
144	F	89.4	Confident	82.4	Confident	51 Å²	51	74.8 Å²	74.8	22%	0.224	38%	0.384	C	S	.	.	H	α-helix	trans	-61.4	-39.1	176.3	-70.8	-68.7	0	0	0	112.1	F141 L142 S148 K174 A177 I181	F141-F144 WeakPolarHBondContact O-CD2 3.42Å; F141-F144 PolarHBondContact O-N 3.39Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.19Å; F144-S148 WeakPolarHBondContact O-CB 3.25Å; F144-S148 PolarHBondContact O-N 3.32Å; F144-S148 VanDerWaalsContact O-N 3.11Å; F144-S148 PolarHBondContact O-OG 3.48Å; F144-K174 HydrophobicContact CE1-CD 4.34Å; F144-K174 HydrophobicContact CE1-CG 3.88Å; F144-K174 HydrophobicContact CE2-CB 4.41Å; F144-K174 HydrophobicContact CZ-CB 4.01Å; F144-K174 HydrophobicContact CZ-CD 4.35Å; F144-K174 HydrophobicContact CZ-CG 3.81Å; F144-A177 HydrophobicContact CB-CB 3.78Å; F144-A177 HydrophobicContact CD2-CB 3.94Å; F144-A177 HydrophobicContact CG-CB 4.02Å; F144-I181 HydrophobicContact CB-CD1 4.29Å
145	F	89.6	Confident	83.9	Confident	1 Å²	1	76 Å²	76	0%	0.004	39%	0.388	C	S	.	.	H	α-helix	trans	-68	-44.2	176	-62.1	-88.4	0	0	0	111.3	F141 L142 S143 L147 S148 G149 I150 L152 L160 A177 V180 I181 L184	F141-F145 HydrophobicContact CD1-CE2 4.5Å; F141-F145 AromaticContact CE1-CE2 3.91Å; F141-F145 HydrophobicContact CE1-CE2 3.91Å; F141-F145 AromaticContact CE2-CE2 3.95Å; F141-F145 HydrophobicContact CE2-CE2 3.95Å; F141-F145 HydrophobicContact CE2-CZ 4.45Å; F141-F145 AromaticContact CZ-CE2 3.61Å; F141-F145 HydrophobicContact CZ-CE2 3.61Å; F141-F145 HydrophobicContact CZ-CZ 4.01Å; L142-F145 PolarHBondContact O-N 3.45Å; S143-F145 VanDerWaalsContact C-N 3.3Å; S143-F145 PolarHBondContact O-N 2.93Å; F145-L147 PolarHBondContact O-N 3.29Å; F145-S148 CarbonylContact O-C 3.53Å; F145-S148 PolarHBondContact O-N 2.9Å; F145-S148 VanDerWaalsContact O-N 3.17Å; F145-G149 PolarHBondContact O-N 3.46Å; F145-I150 CarbonylContact C-O 3.07Å; F145-I150 HydrophobicContact CB-CB 4.36Å; F145-I150 HydrophobicContact CB-CG2 4.4Å; F145-I150 HydrophobicContact CD1-CG2 4.4Å; F145-I150 WeakPolarHBondContact O-CB 3.31Å; F145-I150 PolarHBondContact O-N 2.96Å; F145-L152 HydrophobicContact CB-CD1 3.84Å; F145-L152 HydrophobicContact CB-CG 4.22Å; F145-L152 HydrophobicContact CD1-CD1 4.11Å; F145-L152 HydrophobicContact CD1-CD2 4.4Å; F145-L152 HydrophobicContact CD1-CG 4.49Å; F145-L152 HydrophobicContact CD2-CD1 3.82Å; F145-L152 HydrophobicContact CE2-CD1 4.41Å; F145-L152 HydrophobicContact CG-CD1 3.64Å; F145-L152 HydrophobicContact CG-CG 4.3Å; F145-L160 HydrophobicContact CE1-CD1 4.12Å; F145-L160 HydrophobicContact CE2-CD1 4.34Å; F145-L160 HydrophobicContact CZ-CD1 3.88Å; F145-A177 HydrophobicContact CE2-CB 4.15Å; F145-A177 HydrophobicContact CZ-CB 4.32Å; F145-V180 HydrophobicContact CE1-CB 4.07Å; F145-V180 HydrophobicContact CE1-CG1 3.74Å; F145-V180 HydrophobicContact CZ-CB 4.13Å; F145-V180 HydrophobicContact CZ-CG1 4.07Å; F145-I181 HydrophobicContact CD1-CD1 4.37Å; F145-I181 HydrophobicContact CD1-CG1 3.76Å; F145-I181 HydrophobicContact CE1-CG1 3.88Å; F145-I181 HydrophobicContact CG-CG1 4.49Å; F145-L184 HydrophobicContact CE1-CD1 4.39Å
146	K	86.1	Confident	85.1	Confident	152 Å²	152	69.3 Å²	69.3	66%	0.661	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-43.7	176.3	-70.3	-176.9	179.7	179.1	0	112.4	L142 S143 S148 G149	L142-K146 PolarHBondContact O-N 2.91Å; S143-K146 PolarHBondContact O-N 3.14Å; K146-S148 PolarHBondContact O-N 3.27Å; K146-G149 PolarHBondContact O-N 3.4Å; K146-G149 VanDerWaalsContact O-N 3.09Å
147	L	86.2	Confident	85.9	Confident	144 Å²	144	66.1 Å²	66.1	75%	0.754	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-31.2	176.6	-74.9	168.8	0	0	0	112.2	S143 F145 G149	S143-L147 WeakPolarHBondContact O-CB 3.45Å; S143-L147 WeakPolarHBondContact O-CG 3.33Å; S143-L147 PolarHBondContact O-N 3.3Å; F145-L147 PolarHBondContact O-N 3.29Å; L147-G149 PolarHBondContact O-N 3.37Å
148	S	85.5	Confident	86.5	Confident	56 Å²	56	68.5 Å²	68.5	39%	0.392	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	6.2	176.1	-54.3	0	0	0	0	113.6	F144 F145 K146 I150 I181	F144-S148 WeakPolarHBondContact O-CB 3.25Å; F144-S148 PolarHBondContact O-N 3.32Å; F144-S148 VanDerWaalsContact O-N 3.11Å; F144-S148 PolarHBondContact O-OG 3.48Å; F145-S148 CarbonylContact O-C 3.53Å; F145-S148 PolarHBondContact O-N 2.9Å; F145-S148 VanDerWaalsContact O-N 3.17Å; K146-S148 PolarHBondContact O-N 3.27Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact O-N 3.43Å; S148-I181 WeakPolarHBondContact OG-CD1 3.18Å
149	G	85.1	Confident	87	Confident	49 Å²	49	69.4 Å²	69.4	51%	0.505	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	12.2	179.2	0	0	0	0	0	115	F145 K146 L147 C192	F145-G149 PolarHBondContact O-N 3.46Å; K146-G149 PolarHBondContact O-N 3.4Å; K146-G149 VanDerWaalsContact O-N 3.09Å; L147-G149 PolarHBondContact O-N 3.37Å; G149-C192 PolarHBondContact O-SG 3.49Å; G149-C192 VanDerWaalsContact O-SG 3.42Å
150	I	86	Confident	87.4	Confident	17 Å²	17	62.7 Å²	62.7	9%	0.087	32%	0.324	C	S	.	.			trans	-95.6	123.9	-178.2	-68.6	176.3	0	0	0	110.1	F145 S148 L152 I181 L184 I194	F145-I150 CarbonylContact C-O 3.07Å; F145-I150 HydrophobicContact CB-CB 4.36Å; F145-I150 HydrophobicContact CB-CG2 4.4Å; F145-I150 HydrophobicContact CD1-CG2 4.4Å; F145-I150 WeakPolarHBondContact O-CB 3.31Å; F145-I150 PolarHBondContact O-N 2.96Å; S148-I150 VanDerWaalsContact C-N 3.32Å; S148-I150 PolarHBondContact O-N 3.43Å; I150-L152 HydrophobicContact CG2-CD2 4.34Å; I150-I181 HydrophobicContact CD1-CB 4.38Å; I150-I181 HydrophobicContact CD1-CG1 4.17Å; I150-I181 HydrophobicContact CD1-CG2 4.03Å; I150-L184 HydrophobicContact CD1-CB 4.39Å; I150-L184 HydrophobicContact CD1-CD1 4.28Å; I150-I194 HydrophobicContact CB-CD1 4.46Å; I150-I194 HydrophobicContact CG2-CD1 3.21Å; I150-I194 HydrophobicContact CG2-CG1 3.95Å
151	H	88	Confident	87.6	Confident	125 Å²	125	54.8 Å²	54.8	58%	0.579	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.1	111.4	174.1	-116	75.5	0	0	0	110.9	C192 S193 I194	H151-C192 PolarHBondContact N-O 3.37Å; H151-S193 CarbonylContact O-C 3.58Å; H151-S193 VanDerWaalsContact O-CA 3.29Å; H151-S193 WeakPolarHBondContact O-CA 3.34Å; H151-I194 PolarHBondContact O-N 3.07Å
152	L	88.7	Confident	87.4	Confident	32 Å²	32	58 Å²	58	17%	0.168	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.2	173.3	-63.4	169.5	0	0	0	109.8	L142 F145 I150 A156 A157 L160 I194	L142-L152 HydrophobicContact CD2-CD1 3.69Å; F145-L152 HydrophobicContact CB-CD1 3.84Å; F145-L152 HydrophobicContact CB-CG 4.22Å; F145-L152 HydrophobicContact CD1-CD1 4.11Å; F145-L152 HydrophobicContact CD1-CD2 4.4Å; F145-L152 HydrophobicContact CD1-CG 4.49Å; F145-L152 HydrophobicContact CD2-CD1 3.82Å; F145-L152 HydrophobicContact CE2-CD1 4.41Å; F145-L152 HydrophobicContact CG-CD1 3.64Å; F145-L152 HydrophobicContact CG-CG 4.3Å; I150-L152 HydrophobicContact CG2-CD2 4.34Å; L152-A156 HydrophobicContact CB-CB 4.44Å; L152-A156 HydrophobicContact CD2-CB 4.23Å; L152-A157 HydrophobicContact CB-CB 4.27Å; L152-L160 HydrophobicContact CD1-CD1 3.89Å; L152-L160 HydrophobicContact CD2-CD1 3.83Å; L152-I194 HydrophobicContact CD2-CB 4.13Å; L152-I194 HydrophobicContact CD2-CG2 4.2Å
153	K	90.4	Very high	87.2	Confident	86 Å²	86	57.5 Å²	57.5	37%	0.374	32%	0.316	S	S	.	.			trans	-66.7	161.9	164.9	-63.2	-178.2	-172.6	166.6	0	109.7	E155 A156 A157 I194 D195	K153-E155 VanDerWaalsContact C-N 3.27Å; K153-E155 VanDerWaalsContact CB-OE2 3.3Å; K153-E155 WeakPolarHBondContact CB-OE2 3.42Å; K153-E155 PolarHBondContact O-N 2.91Å; K153-A156 PolarHBondContact O-N 3.47Å; K153-A156 VanDerWaalsContact O-N 3.15Å; K153-A157 PolarHBondContact O-N 2.7Å; K153-I194 WeakPolarHBondContact CB-O 3.42Å; K153-I194 WeakPolarHBondContact CG-O 3.03Å; K153-I194 PolarHBondContact N-O 2.85Å; K153-D195 HydrophobicContact CD-CB 3.96Å; K153-D195 IonicContact NZ-OD2 2.78Å
154	S	86.2	Confident	86.9	Confident	79 Å²	79	56 Å²	56	55%	0.552	31%	0.305	S	S	*	.	H	α-helix	trans	-55.1	-45.3	-176.1	-164.3	0	0	0	0	111.6	A156 A157 D158	S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 3.29Å; S154-A157 PolarHBondContact O-N 3.26Å; S154-D158 WeakPolarHBondContact O-CB 3.48Å; S154-D158 PolarHBondContact O-N 3.08Å
155	E	88.3	Confident	86.3	Confident	101 Å²	101	56.6 Å²	56.6	47%	0.472	31%	0.313	S	S	.	.	H	α-helix	trans	-65.9	-36.5	-176.9	-49.3	82.6	-179.8	0	0	111.6	K153 F159 E196	K153-E155 VanDerWaalsContact C-N 3.27Å; K153-E155 VanDerWaalsContact CB-OE2 3.3Å; K153-E155 WeakPolarHBondContact CB-OE2 3.42Å; K153-E155 PolarHBondContact O-N 2.91Å; E155-F159 WeakPolarHBondContact O-CB 3.44Å; E155-F159 PolarHBondContact O-N 3.3Å; E155-E196 HydrophobicContact CB-CB 4.03Å
156	A	88.8	Confident	85.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-40.8	175.5	0	0	0	0	0	112.2	L152 K153 S154 D158 F159 L160 I194 A199	L152-A156 HydrophobicContact CB-CB 4.44Å; L152-A156 HydrophobicContact CD2-CB 4.23Å; K153-A156 PolarHBondContact O-N 3.47Å; K153-A156 VanDerWaalsContact O-N 3.15Å; S154-A156 VanDerWaalsContact C-N 3.32Å; S154-A156 PolarHBondContact O-N 3.29Å; A156-D158 VanDerWaalsContact C-N 3.34Å; A156-F159 PolarHBondContact O-N 3.17Å; A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 3.48Å; A156-I194 WeakPolarHBondContact CB-O 3.48Å; A156-A199 HydrophobicContact CB-CB 4.1Å
157	A	89	Confident	84.7	Confident	14 Å²	14	55.4 Å²	55.4	12%	0.116	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-41.9	176.5	0	0	0	0	0	111	L142 L152 K153 S154 T161	L142-A157 HydrophobicContact CD1-CB 4.12Å; L142-A157 HydrophobicContact CD2-CB 3.83Å; L152-A157 HydrophobicContact CB-CB 4.27Å; K153-A157 PolarHBondContact O-N 2.7Å; S154-A157 PolarHBondContact O-N 3.26Å; A157-T161 VanDerWaalsContact O-CB 3.24Å; A157-T161 WeakPolarHBondContact O-CB 3.31Å; A157-T161 PolarHBondContact O-N 3.44Å; A157-T161 PolarHBondContact O-OG1 3.41Å
158	D	86	Confident	83.6	Confident	95 Å²	95	53.3 Å²	53.3	51%	0.508	31%	0.313	S	S	.	.	H	α-helix	trans	-65.6	-42.4	177.7	-67.9	-26.1	0	0	0	111.5	S154 A156 S162	S154-D158 WeakPolarHBondContact O-CB 3.48Å; S154-D158 PolarHBondContact O-N 3.08Å; A156-D158 VanDerWaalsContact C-N 3.34Å; D158-S162 VanDerWaalsContact O-CB 3.24Å; D158-S162 WeakPolarHBondContact O-CB 3.48Å; D158-S162 PolarHBondContact O-N 2.88Å; D158-S162 PolarHBondContact O-OG 3.33Å
159	F	89.1	Confident	82.3	Confident	42 Å²	42	54.3 Å²	54.3	18%	0.184	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-52.3	174.8	169.4	-102.4	0	0	0	112.5	E155 A156 T161 S162 H163 E196 A199 R200 V203	E155-F159 WeakPolarHBondContact O-CB 3.44Å; E155-F159 PolarHBondContact O-N 3.3Å; A156-F159 PolarHBondContact O-N 3.17Å; F159-T161 VanDerWaalsContact C-N 3.32Å; F159-T161 PolarHBondContact O-N 3.49Å; F159-S162 PolarHBondContact O-N 3.22Å; F159-H163 WeakPolarHBondContact O-CB 3.31Å; F159-H163 PolarHBondContact O-N 3.39Å; F159-E196 HydrophobicContact CB-CG 4Å; F159-E196 HydrophobicContact CG-CG 4.33Å; F159-A199 HydrophobicContact CD1-CB 4.22Å; F159-R200 HydrophobicContact CE1-CB 4.09Å; F159-R200 HydrophobicContact CZ-CB 4.01Å; F159-R200 HydrophobicContact CZ-CG 4.1Å; F159-V203 HydrophobicContact CE1-CB 4.28Å; F159-V203 HydrophobicContact CE1-CG2 3.96Å; F159-V203 HydrophobicContact CZ-CB 4.48Å
160	L	88.8	Confident	81	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.2	-39.3	-178.8	-69	173.1	0	0	0	111.6	F141 F145 L152 A156 H163 V164 V180 A199 V203	F141-L160 HydrophobicContact CE1-CB 3.86Å; F141-L160 HydrophobicContact CZ-CB 4.23Å; F145-L160 HydrophobicContact CE1-CD1 4.12Å; F145-L160 HydrophobicContact CE2-CD1 4.34Å; F145-L160 HydrophobicContact CZ-CD1 3.88Å; L152-L160 HydrophobicContact CD1-CD1 3.89Å; L152-L160 HydrophobicContact CD2-CD1 3.83Å; A156-L160 WeakPolarHBondContact O-CG 3.45Å; A156-L160 PolarHBondContact O-N 3.48Å; L160-H163 PolarHBondContact O-N 2.89Å; L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.24Å; L160-V180 HydrophobicContact CD2-CG1 4.25Å; L160-A199 HydrophobicContact CD1-CB 4.38Å; L160-A199 HydrophobicContact CD2-CB 4.38Å; L160-A199 HydrophobicContact CG-CB 4.28Å; L160-V203 HydrophobicContact CD2-CG2 3.59Å
161	T	86.1	Confident	80	Confident	23 Å²	23	64.7 Å²	64.7	14%	0.141	36%	0.359	C	S	.	.	H	α-helix	trans	-65.6	-43.6	175.9	-54.8	0	0	0	0	110.7	C138 A157 F159 H163 V164 V165	C138-T161 HydrophobicContact CB-CG2 3.84Å; C138-T161 WeakPolarHBondContact SG-CG2 3.3Å; A157-T161 VanDerWaalsContact O-CB 3.24Å; A157-T161 WeakPolarHBondContact O-CB 3.31Å; A157-T161 PolarHBondContact O-N 3.44Å; A157-T161 PolarHBondContact O-OG1 3.41Å; F159-T161 VanDerWaalsContact C-N 3.32Å; F159-T161 PolarHBondContact O-N 3.49Å; T161-H163 VanDerWaalsContact C-N 3.31Å; T161-H163 PolarHBondContact O-N 3.05Å; T161-V164 PolarHBondContact O-N 2.9Å; T161-V165 HydrophobicContact CG2-CG2 4.41Å; T161-V165 WeakPolarHBondContact O-CB 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 2.89Å
162	S	82.7	Confident	79.4	Confident	74 Å²	74	63.1 Å²	63.1	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-62	-38.3	176.2	-60.6	0	0	0	0	112.2	D158 F159 V165 A166	D158-S162 VanDerWaalsContact O-CB 3.24Å; D158-S162 WeakPolarHBondContact O-CB 3.48Å; D158-S162 PolarHBondContact O-N 2.88Å; D158-S162 PolarHBondContact O-OG 3.33Å; F159-S162 PolarHBondContact O-N 3.22Å; S162-V165 PolarHBondContact O-N 2.58Å; S162-A166 WeakPolarHBondContact O-CB 3.34Å; S162-A166 PolarHBondContact O-N 3.4Å
163	H	82.4	Confident	79	Confident	27 Å²	27	64 Å²	64	13%	0.125	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-46.3	176.2	-170.9	-83.3	0	0	0	111.9	F159 L160 T161 V165 A166 N167 F176 E207	F159-H163 WeakPolarHBondContact O-CB 3.31Å; F159-H163 PolarHBondContact O-N 3.39Å; L160-H163 PolarHBondContact O-N 2.89Å; T161-H163 VanDerWaalsContact C-N 3.31Å; T161-H163 PolarHBondContact O-N 3.05Å; H163-V165 VanDerWaalsContact C-N 3.3Å; H163-V165 PolarHBondContact O-N 3.43Å; H163-A166 PolarHBondContact O-N 2.85Å; H163-N167 PolarHBondContact O-N 3.47Å; H163-N167 VanDerWaalsContact O-N 3.11Å; H163-F176 AromaticContact CE1-CZ 3.89Å; H163-F176 AromaticContact ND1-CZ 3.51Å; H163-E207 IonicContact CD2-OE1 2.74Å; H163-E207 IonicContact CE1-OE1 2.71Å; H163-E207 IonicContact NE2-OE1 3.19Å; H163-E207 PolarHBondContact NE2-OE1 3.48Å
164	V	81.9	Confident	78.6	Confident	8 Å²	8	65 Å²	65	5%	0.048	37%	0.366	C	S	.	.	H	α-helix	trans	-60.1	-42.1	173.6	170.5	0	0	0	0	111.3	F141 L160 T161 N167 I168 T173 F176	F141-V164 HydrophobicContact CD1-CG2 4.33Å; F141-V164 HydrophobicContact CD2-CG2 4.15Å; F141-V164 HydrophobicContact CE1-CG2 3.87Å; F141-V164 HydrophobicContact CE2-CG2 3.67Å; F141-V164 HydrophobicContact CG-CG2 4.46Å; F141-V164 HydrophobicContact CZ-CG2 3.52Å; L160-V164 WeakPolarHBondContact O-CG2 3.43Å; L160-V164 PolarHBondContact O-N 3.24Å; T161-V164 PolarHBondContact O-N 2.9Å; V164-N167 CarbonylContact O-C 3.58Å; V164-N167 PolarHBondContact O-N 3.21Å; V164-I168 WeakPolarHBondContact O-CG1 3.4Å; V164-I168 PolarHBondContact O-N 3.09Å; V164-I168 VanDerWaalsContact O-N 3.15Å; V164-T173 HydrophobicContact CG1-CG2 3.72Å; V164-F176 HydrophobicContact CG2-CD1 3.78Å; V164-F176 HydrophobicContact CG2-CE1 3.81Å
165	V	76.8	Confident	78.2	Confident	64 Å²	64	63.9 Å²	63.9	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-65.4	-40	178.2	170.4	0	0	0	0	111.8	M133 T161 S162 H163 N167 I168	M133-V165 HydrophobicContact CB-CG2 4.21Å; M133-V165 HydrophobicContact CG-CG2 4.14Å; T161-V165 HydrophobicContact CG2-CG2 4.41Å; T161-V165 WeakPolarHBondContact O-CB 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.41Å; T161-V165 PolarHBondContact O-N 2.89Å; S162-V165 PolarHBondContact O-N 2.58Å; H163-V165 VanDerWaalsContact C-N 3.3Å; H163-V165 PolarHBondContact O-N 3.43Å; V165-N167 VanDerWaalsContact C-N 3.25Å; V165-N167 PolarHBondContact O-N 3.13Å; V165-I168 HydrophobicContact CB-CD1 4.35Å; V165-I168 HydrophobicContact CG1-CD1 4.14Å; V165-I168 VanDerWaalsContact O-CD1 3.24Å; V165-I168 WeakPolarHBondContact O-CD1 3.38Å; V165-I168 VanDerWaalsContact O-CG1 3.23Å; V165-I168 WeakPolarHBondContact O-CG1 3.35Å
166	A	73.9	Confident	78	Confident	78 Å²	78	59.9 Å²	59.9	65%	0.645	34%	0.34	S	S	*	.	H	α-helix	trans	-66.4	-28.5	177.1	0	0	0	0	0	112.7	S162 H163	S162-A166 WeakPolarHBondContact O-CB 3.34Å; S162-A166 PolarHBondContact O-N 3.4Å; H163-A166 PolarHBondContact O-N 2.85Å
167	N	68.7	Low	77.9	Confident	49 Å²	49	59.9 Å²	59.9	26%	0.262	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	23.4	-175.1	-71	47	0	0	0	113.2	H163 V164 V165 G169 R170 L171	H163-N167 PolarHBondContact O-N 3.47Å; H163-N167 VanDerWaalsContact O-N 3.11Å; V164-N167 CarbonylContact O-C 3.58Å; V164-N167 PolarHBondContact O-N 3.21Å; V165-N167 VanDerWaalsContact C-N 3.25Å; V165-N167 PolarHBondContact O-N 3.13Å; N167-G169 PolarHBondContact O-N 3.13Å; N167-R170 PolarHBondContact O-N 3.16Å; N167-L171 HydrophobicContact CB-CD1 3.36Å; N167-L171 HydrophobicContact CB-CG 4.01Å; N167-L171 PolarHBondContact O-N 3.09Å
168	I	63.3	Low	77.7	Confident	101 Å²	101	63.5 Å²	63.5	52%	0.518	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	128.9	177.9	-72.3	166.4	0	0	0	110.4	M133 V164 V165 R170	M133-I168 HydrophobicContact CG-CD1 3.93Å; V164-I168 WeakPolarHBondContact O-CG1 3.4Å; V164-I168 PolarHBondContact O-N 3.09Å; V164-I168 VanDerWaalsContact O-N 3.15Å; V165-I168 HydrophobicContact CB-CD1 4.35Å; V165-I168 HydrophobicContact CG1-CD1 4.14Å; V165-I168 VanDerWaalsContact O-CD1 3.24Å; V165-I168 WeakPolarHBondContact O-CD1 3.38Å; V165-I168 VanDerWaalsContact O-CG1 3.23Å; V165-I168 WeakPolarHBondContact O-CG1 3.35Å; I168-R170 VanDerWaalsContact C-N 3.29Å; I168-R170 PolarHBondContact O-N 2.71Å
169	G	58.3	Low	77.6	Confident	76 Å²	76	60.5 Å²	60.5	78%	0.784	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-14.5	179.2	0	0	0	0	0	115.3	N167	N167-G169 PolarHBondContact O-N 3.13Å
170	R	57.6	Low	77.5	Confident	222 Å²	222	58.5 Å²	58.5	84%	0.838	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-23.5	173.7	-66.6	-175.7	178	-176.8	-1.3	113.5	N167 I168	N167-R170 PolarHBondContact O-N 3.16Å; I168-R170 VanDerWaalsContact C-N 3.29Å; I168-R170 PolarHBondContact O-N 2.71Å
171	L	64.8	Low	77.5	Confident	63 Å²	63	58.9 Å²	58.9	33%	0.33	34%	0.336	S	S	.	.	S	Bend	trans	-118.4	135.1	-176.7	-66	167.8	0	0	0	110.2	N167 F176	N167-L171 HydrophobicContact CB-CD1 3.36Å; N167-L171 HydrophobicContact CB-CG 4.01Å; N167-L171 PolarHBondContact O-N 3.09Å; L171-F176 HydrophobicContact CD1-CD2 4.41Å; L171-F176 HydrophobicContact CD2-CD2 4.44Å
172	D	76.4	Confident	77.4	Confident	92 Å²	92	61.9 Å²	61.9	49%	0.492	35%	0.351	S	S	.	.			trans	-77.3	122.3	161.2	164.1	55.3	0	0	0	109	K174 S175 F176	D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.26Å; D172-S175 VanDerWaalsContact CB-OG 3.27Å; D172-S175 WeakPolarHBondContact CB-OG 3.49Å; D172-S175 PolarHBondContact O-N 2.85Å; D172-S175 PolarHBondContact O-OG 3.23Å; D172-S175 VanDerWaalsContact O-OG 3.07Å; D172-S175 WeakPolarHBondContact OD2-CB 3.33Å; D172-S175 PolarHBondContact OD2-N 2.99Å; D172-S175 PolarHBondContact OD2-OG 3.26Å; D172-F176 VanDerWaalsContact O-CB 3.31Å; D172-F176 WeakPolarHBondContact O-CB 3.45Å; D172-F176 PolarHBondContact O-N 2.98Å
173	T	79.2	Confident	77.4	Confident	51 Å²	51	58.9 Å²	58.9	31%	0.313	33%	0.331	S	S	.	.	H	α-helix	trans	-65.3	-31.2	-171.4	49.4	0	0	0	0	112.8	V164 A177	V164-T173 HydrophobicContact CG1-CG2 3.72Å; T173-A177 WeakPolarHBondContact O-CB 3.45Å; T173-A177 PolarHBondContact O-N 2.7Å
174	K	81.3	Confident	77.6	Confident	106 Å²	106	57.6 Å²	57.6	46%	0.461	33%	0.325	S	S	.	.	H	α-helix	trans	-72.8	-53.5	178.9	-177	-179.5	173.5	-168.6	0	111.2	F144 D172 F176 A177 E178	F144-K174 HydrophobicContact CE1-CD 4.34Å; F144-K174 HydrophobicContact CE1-CG 3.88Å; F144-K174 HydrophobicContact CE2-CB 4.41Å; F144-K174 HydrophobicContact CZ-CB 4.01Å; F144-K174 HydrophobicContact CZ-CD 4.35Å; F144-K174 HydrophobicContact CZ-CG 3.81Å; D172-K174 VanDerWaalsContact C-N 3.27Å; D172-K174 PolarHBondContact O-N 3.26Å; K174-F176 VanDerWaalsContact C-N 3.29Å; K174-F176 PolarHBondContact O-N 2.92Å; K174-A177 PolarHBondContact O-N 2.87Å; K174-E178 WeakPolarHBondContact CE-OE1 3.15Å; K174-E178 WeakPolarHBondContact O-CG 3.39Å; K174-E178 PolarHBondContact O-N 2.75Å
175	S	78.3	Confident	77.7	Confident	56 Å²	56	62.9 Å²	62.9	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-61.7	-37.3	177.7	55.5	0	0	0	0	112.3	D172 E178 A179	D172-S175 VanDerWaalsContact CB-OG 3.27Å; D172-S175 WeakPolarHBondContact CB-OG 3.49Å; D172-S175 PolarHBondContact O-N 2.85Å; D172-S175 PolarHBondContact O-OG 3.23Å; D172-S175 VanDerWaalsContact O-OG 3.07Å; D172-S175 WeakPolarHBondContact OD2-CB 3.33Å; D172-S175 PolarHBondContact OD2-N 2.99Å; D172-S175 PolarHBondContact OD2-OG 3.26Å; S175-E178 PolarHBondContact O-N 2.66Å; S175-A179 VanDerWaalsContact O-CB 3.3Å; S175-A179 WeakPolarHBondContact O-CB 3.37Å; S175-A179 PolarHBondContact O-N 2.98Å
176	F	84.1	Confident	77.9	Confident	17 Å²	17	67.3 Å²	67.3	8%	0.075	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-46.8	172.8	-179.5	-111	0	0	0	111.8	F141 H163 V164 L171 D172 K174 E178 A179 V180 V203 L206	F141-F176 AromaticContact CE2-CD1 3.88Å; F141-F176 HydrophobicContact CE2-CD1 3.88Å; F141-F176 HydrophobicContact CE2-CE1 4.39Å; F141-F176 HydrophobicContact CZ-CD1 4.04Å; F141-F176 HydrophobicContact CZ-CE1 4.09Å; H163-F176 AromaticContact CE1-CZ 3.89Å; H163-F176 AromaticContact ND1-CZ 3.51Å; V164-F176 HydrophobicContact CG2-CD1 3.78Å; V164-F176 HydrophobicContact CG2-CE1 3.81Å; L171-F176 HydrophobicContact CD1-CD2 4.41Å; L171-F176 HydrophobicContact CD2-CD2 4.44Å; D172-F176 VanDerWaalsContact O-CB 3.31Å; D172-F176 WeakPolarHBondContact O-CB 3.45Å; D172-F176 PolarHBondContact O-N 2.98Å; K174-F176 VanDerWaalsContact C-N 3.29Å; K174-F176 PolarHBondContact O-N 2.92Å; F176-E178 PolarHBondContact O-N 2.82Å; F176-A179 PolarHBondContact O-N 2.76Å; F176-V180 HydrophobicContact CD1-CG2 4.33Å; F176-V180 HydrophobicContact CD2-CG2 4.21Å; F176-V180 HydrophobicContact CE1-CG2 3.95Å; F176-V180 HydrophobicContact CE2-CG2 3.82Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.68Å; F176-V180 VanDerWaalsContact O-CG2 3.31Å; F176-V180 WeakPolarHBondContact O-CG2 3.13Å; F176-V180 PolarHBondContact O-N 2.81Å; F176-V203 HydrophobicContact CZ-CG1 4.43Å; F176-V203 HydrophobicContact CZ-CG2 4.03Å; F176-L206 HydrophobicContact CE2-CD1 4.38Å
177	A	86.7	Confident	78.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-58.6	-46.7	176.1	0	0	0	0	0	111.6	F141 F144 F145 T173 K174 A179 V180 I181	F141-A177 HydrophobicContact CD2-CB 4.19Å; F141-A177 HydrophobicContact CE2-CB 3.86Å; F144-A177 HydrophobicContact CB-CB 3.78Å; F144-A177 HydrophobicContact CD2-CB 3.94Å; F144-A177 HydrophobicContact CG-CB 4.02Å; F145-A177 HydrophobicContact CE2-CB 4.15Å; F145-A177 HydrophobicContact CZ-CB 4.32Å; T173-A177 WeakPolarHBondContact O-CB 3.45Å; T173-A177 PolarHBondContact O-N 2.7Å; K174-A177 PolarHBondContact O-N 2.87Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 2.73Å; A177-V180 PolarHBondContact O-N 2.9Å; A177-I181 WeakPolarHBondContact O-CB 3.27Å; A177-I181 VanDerWaalsContact O-CD1 3.29Å; A177-I181 WeakPolarHBondContact O-CD1 3.38Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 3.23Å
178	E	85.8	Confident	78.7	Confident	89 Å²	89	70 Å²	70	42%	0.416	37%	0.372	S	S	.	.	H	α-helix	trans	-60.9	-40.4	176.6	-72.4	174.4	-177.4	0	0	112.3	K174 S175 F176 I181 N182	K174-E178 WeakPolarHBondContact CE-OE1 3.15Å; K174-E178 WeakPolarHBondContact O-CG 3.39Å; K174-E178 PolarHBondContact O-N 2.75Å; S175-E178 PolarHBondContact O-N 2.66Å; F176-E178 PolarHBondContact O-N 2.82Å; E178-I181 PolarHBondContact O-N 3.1Å; E178-N182 WeakPolarHBondContact O-CB 3.11Å; E178-N182 PolarHBondContact O-N 3.07Å; E178-N182 PolarHBondContact O-ND2 3.43Å; E178-N182 VanDerWaalsContact O-ND2 3.12Å
179	A	83	Confident	79.3	Confident	32 Å²	32	68.7 Å²	68.7	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-43.9	176.2	0	0	0	0	0	112.1	S175 F176 A177 N182 A183 L206	S175-A179 VanDerWaalsContact O-CB 3.3Å; S175-A179 WeakPolarHBondContact O-CB 3.37Å; S175-A179 PolarHBondContact O-N 2.98Å; F176-A179 PolarHBondContact O-N 2.76Å; A177-A179 VanDerWaalsContact C-N 3.34Å; A177-A179 PolarHBondContact O-N 2.73Å; A179-N182 PolarHBondContact O-N 2.71Å; A179-A183 WeakPolarHBondContact O-CB 3.45Å; A179-A183 PolarHBondContact O-N 3.1Å; A179-L206 HydrophobicContact CB-CD1 3.87Å; A179-L206 HydrophobicContact CB-CD2 3.96Å
180	V	87.7	Confident	80	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-65.8	-42.3	176.5	179.6	0	0	0	0	110.4	F145 L160 F176 A177 N182 A183 L184 A202 V203 L206	F145-V180 HydrophobicContact CE1-CB 4.07Å; F145-V180 HydrophobicContact CE1-CG1 3.74Å; F145-V180 HydrophobicContact CZ-CB 4.13Å; F145-V180 HydrophobicContact CZ-CG1 4.07Å; L160-V180 HydrophobicContact CD2-CG1 4.25Å; F176-V180 HydrophobicContact CD1-CG2 4.33Å; F176-V180 HydrophobicContact CD2-CG2 4.21Å; F176-V180 HydrophobicContact CE1-CG2 3.95Å; F176-V180 HydrophobicContact CE2-CG2 3.82Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.68Å; F176-V180 VanDerWaalsContact O-CG2 3.31Å; F176-V180 WeakPolarHBondContact O-CG2 3.13Å; F176-V180 PolarHBondContact O-N 2.81Å; A177-V180 PolarHBondContact O-N 2.9Å; V180-N182 PolarHBondContact O-N 3.37Å; V180-A183 PolarHBondContact O-N 3.14Å; V180-L184 HydrophobicContact CG1-CD1 3.84Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.22Å; V180-L184 VanDerWaalsContact O-CG 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.39Å; V180-L184 PolarHBondContact O-N 3.24Å; V180-A202 HydrophobicContact CG1-CB 4.33Å; V180-V203 HydrophobicContact CG2-CG2 4.21Å; V180-L206 HydrophobicContact CB-CD1 4.26Å; V180-L206 HydrophobicContact CG2-CD1 3.51Å
181	I	87.8	Confident	80.9	Confident	9 Å²	9	64.3 Å²	64.3	5%	0.046	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-48	175	-70.8	158	0	0	0	110.7	F144 F145 S148 I150 A177 E178 A183 L184 Q185	F144-I181 HydrophobicContact CB-CD1 4.29Å; F145-I181 HydrophobicContact CD1-CD1 4.37Å; F145-I181 HydrophobicContact CD1-CG1 3.76Å; F145-I181 HydrophobicContact CE1-CG1 3.88Å; F145-I181 HydrophobicContact CG-CG1 4.49Å; S148-I181 WeakPolarHBondContact OG-CD1 3.18Å; I150-I181 HydrophobicContact CD1-CB 4.38Å; I150-I181 HydrophobicContact CD1-CG1 4.17Å; I150-I181 HydrophobicContact CD1-CG2 4.03Å; A177-I181 WeakPolarHBondContact O-CB 3.27Å; A177-I181 VanDerWaalsContact O-CD1 3.29Å; A177-I181 WeakPolarHBondContact O-CD1 3.38Å; A177-I181 WeakPolarHBondContact O-CG1 3.33Å; A177-I181 PolarHBondContact O-N 3.23Å; E178-I181 PolarHBondContact O-N 3.1Å; I181-A183 PolarHBondContact O-N 2.88Å; I181-L184 PolarHBondContact O-N 2.8Å; I181-Q185 WeakPolarHBondContact O-CG 3.31Å; I181-Q185 PolarHBondContact O-N 3.03Å
182	N	84	Confident	81.3	Confident	85 Å²	85	65.6 Å²	65.6	46%	0.455	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-39	177.5	-79.8	-39.9	0	0	0	112.6	E178 A179 V180 K186	E178-N182 WeakPolarHBondContact O-CB 3.11Å; E178-N182 PolarHBondContact O-N 3.07Å; E178-N182 PolarHBondContact O-ND2 3.43Å; E178-N182 VanDerWaalsContact O-ND2 3.12Å; A179-N182 PolarHBondContact O-N 2.71Å; V180-N182 PolarHBondContact O-N 3.37Å; N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 2.76Å
183	A	84.1	Confident	81.5	Confident	11 Å²	11	63.7 Å²	63.7	9%	0.091	36%	0.358	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175	0	0	0	0	0	110.8	A179 V180 I181 Q185 K186 M187 A202 L206	A179-A183 WeakPolarHBondContact O-CB 3.45Å; A179-A183 PolarHBondContact O-N 3.1Å; V180-A183 PolarHBondContact O-N 3.14Å; I181-A183 PolarHBondContact O-N 2.88Å; A183-Q185 PolarHBondContact O-N 2.78Å; A183-K186 PolarHBondContact O-N 2.81Å; A183-K186 VanDerWaalsContact O-N 3.14Å; A183-M187 WeakPolarHBondContact O-CG 3.28Å; A183-M187 PolarHBondContact O-N 2.94Å; A183-A202 HydrophobicContact CB-CB 4.14Å; A183-L206 HydrophobicContact CB-CD2 4.27Å; A183-L206 HydrophobicContact CB-CG 4.37Å
184	L	86.6	Confident	81.9	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-40.3	178	-71.9	167.4	0	0	0	112.7	F145 I150 V180 I181 K186 M187 L189 I194 T198 A202	F145-L184 HydrophobicContact CE1-CD1 4.39Å; I150-L184 HydrophobicContact CD1-CB 4.39Å; I150-L184 HydrophobicContact CD1-CD1 4.28Å; V180-L184 HydrophobicContact CG1-CD1 3.84Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.22Å; V180-L184 VanDerWaalsContact O-CG 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.39Å; V180-L184 PolarHBondContact O-N 3.24Å; I181-L184 PolarHBondContact O-N 2.8Å; L184-K186 PolarHBondContact O-N 3.18Å; L184-M187 HydrophobicContact CD2-SD 4.41Å; L184-M187 PolarHBondContact O-N 3.09Å; L184-M187 VanDerWaalsContact O-N 3.15Å; L184-L189 WeakPolarHBondContact O-CD1 3.32Å; L184-I194 HydrophobicContact CB-CD1 4.27Å; L184-I194 HydrophobicContact CD1-CD1 3.45Å; L184-I194 VanDerWaalsContact CD1-CD1 3.45Å; L184-I194 HydrophobicContact CD2-CD1 3.78Å; L184-I194 HydrophobicContact CD2-CG2 4.21Å; L184-I194 HydrophobicContact CG-CD1 4.01Å; L184-T198 HydrophobicContact CD2-CG2 3.91Å; L184-A202 HydrophobicContact CD2-CB 3.61Å; L184-A202 HydrophobicContact CG-CB 3.81Å
185	Q	83.9	Confident	82.3	Confident	120 Å²	120	58.8 Å²	58.8	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-64.5	-25.4	176.1	-74.6	176.8	-7.4	0	0	113.4	I181 A183	I181-Q185 WeakPolarHBondContact O-CG 3.31Å; I181-Q185 PolarHBondContact O-N 3.03Å; A183-Q185 PolarHBondContact O-N 2.78Å
186	K	81.1	Confident	82.8	Confident	157 Å²	157	59.5 Å²	59.5	68%	0.683	33%	0.332	S	S	*	.	H	α-helix	trans	-84.9	-12.6	176.1	-69.9	176.1	-176.8	-177.2	0	113.2	N182 A183 L184	N182-K186 WeakPolarHBondContact O-CG 3.32Å; N182-K186 PolarHBondContact O-N 2.76Å; A183-K186 PolarHBondContact O-N 2.81Å; A183-K186 VanDerWaalsContact O-N 3.14Å; L184-K186 PolarHBondContact O-N 3.18Å
187	M	82.1	Confident	82.9	Confident	55 Å²	55	64 Å²	64	27%	0.271	35%	0.354	S	S	.	.	S	Bend	trans	-85.1	145.6	178.6	-65.7	-178.7	86.1	0	0	110.8	A183 L184 L189 K201 A202	A183-M187 WeakPolarHBondContact O-CG 3.28Å; A183-M187 PolarHBondContact O-N 2.94Å; L184-M187 HydrophobicContact CD2-SD 4.41Å; L184-M187 PolarHBondContact O-N 3.09Å; L184-M187 VanDerWaalsContact O-N 3.15Å; M187-L189 HydrophobicContact CB-CD2 4.44Å; M187-L189 PolarHBondContact O-N 3.05Å; M187-K201 HydrophobicContact CE-CB 3.61Å; M187-K201 HydrophobicContact CE-CD 4.19Å; M187-A202 HydrophobicContact SD-CB 4.22Å
188	P	77.4	Confident	83	Confident	128 Å²	128	65.4 Å²	65.4	83%	0.831	36%	0.362	S	S	*	.			trans	-70.8	90.8	172.2	29	-32.8	0	0	0	109.7
189	L	74.8	Confident	83.1	Confident	74 Å²	74	61.2 Å²	61.2	39%	0.387	34%	0.343	S	S	.	.			trans	-83.5	125.9	179.4	-62.8	173.1	0	0	0	110.6	L184 M187 T198	L184-L189 WeakPolarHBondContact O-CD1 3.32Å; M187-L189 HydrophobicContact CB-CD2 4.44Å; M187-L189 PolarHBondContact O-N 3.05Å; L189-T198 HydrophobicContact CD2-CG2 3.63Å
190	T	72.7	Confident	83.4	Confident	150 Å²	150	63.9 Å²	63.9	92%	0.92	35%	0.346	S	S	*	.	S	Bend	trans	-81	-18.5	175	49.1	0	0	0	0	113.3
191	S	77	Confident	83.3	Confident	56 Å²	56	68.3 Å²	68.3	39%	0.392	37%	0.365	S	S	.	.	S	Bend	trans	-147.7	155.3	-178.6	53.3	0	0	0	0	111.6	S193	S191-S193 PolarHBondContact O-N 3.17Å; S191-S193 PolarHBondContact OG-O 3.21Å; S191-S193 VanDerWaalsContact OG-O 3.08Å
192	C	73.3	Confident	83.3	Confident	90 Å²	90	67.9 Å²	67.9	61%	0.608	36%	0.363	S	S	*	.	S	Bend	trans	-70.2	-14.5	173.3	-176.3	0	0	0	0	113.1	G149 H151	G149-C192 PolarHBondContact O-SG 3.49Å; G149-C192 VanDerWaalsContact O-SG 3.42Å; H151-C192 PolarHBondContact N-O 3.37Å
193	S	81.3	Confident	83.3	Confident	51 Å²	51	64 Å²	64	36%	0.357	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	173.4	57.7	0	0	0	0	111.6	H151 S191	H151-S193 CarbonylContact O-C 3.58Å; H151-S193 VanDerWaalsContact O-CA 3.29Å; H151-S193 WeakPolarHBondContact O-CA 3.34Å; S191-S193 PolarHBondContact O-N 3.17Å; S191-S193 PolarHBondContact OG-O 3.21Å; S191-S193 VanDerWaalsContact OG-O 3.08Å
194	I	87.5	Confident	83.2	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.6	-176.5	-58.4	-172	0	0	0	109.2	I150 H151 L152 K153 A156 L184 T198 A199	I150-I194 HydrophobicContact CB-CD1 4.46Å; I150-I194 HydrophobicContact CG2-CD1 3.21Å; I150-I194 HydrophobicContact CG2-CG1 3.95Å; H151-I194 PolarHBondContact O-N 3.07Å; L152-I194 HydrophobicContact CD2-CB 4.13Å; L152-I194 HydrophobicContact CD2-CG2 4.2Å; K153-I194 WeakPolarHBondContact CB-O 3.42Å; K153-I194 WeakPolarHBondContact CG-O 3.03Å; K153-I194 PolarHBondContact N-O 2.85Å; A156-I194 WeakPolarHBondContact CB-O 3.48Å; L184-I194 HydrophobicContact CB-CD1 4.27Å; L184-I194 HydrophobicContact CD1-CD1 3.45Å; L184-I194 VanDerWaalsContact CD1-CD1 3.45Å; L184-I194 HydrophobicContact CD2-CD1 3.78Å; L184-I194 HydrophobicContact CD2-CG2 4.21Å; L184-I194 HydrophobicContact CG-CD1 4.01Å; I194-T198 HydrophobicContact CG2-CG2 4.08Å; I194-A199 HydrophobicContact CG2-CB 4.19Å
195	D	89.5	Confident	82.6	Confident	52 Å²	52	69 Å²	69	28%	0.278	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-89.6	171.1	172.3	53.3	31.2	0	0	0	112.8	K153 E197 T198 A199	K153-D195 HydrophobicContact CD-CB 3.96Å; K153-D195 IonicContact NZ-OD2 2.78Å; D195-E197 VanDerWaalsContact C-N 3.27Å; D195-E197 PolarHBondContact O-N 2.62Å; D195-T198 PolarHBondContact O-N 3.03Å; D195-T198 WeakPolarHBondContact OD1-CB 3.45Å; D195-T198 PolarHBondContact OD1-N 3.21Å; D195-T198 PolarHBondContact OD1-OG1 2.81Å; D195-A199 WeakPolarHBondContact O-CB 3.21Å; D195-A199 PolarHBondContact O-N 3.13Å
196	E	88.9	Confident	82.1	Confident	72 Å²	72	65 Å²	65	34%	0.336	35%	0.351	S	S	.	.	H	α-helix	trans	-57.6	-38	-179.8	-172.7	-172.4	153.8	0	0	112.4	E155 F159 A199 R200	E155-E196 HydrophobicContact CB-CB 4.03Å; F159-E196 HydrophobicContact CB-CG 4Å; F159-E196 HydrophobicContact CG-CG 4.33Å; E196-A199 PolarHBondContact O-N 3.13Å; E196-R200 WeakPolarHBondContact O-CB 3.39Å; E196-R200 PolarHBondContact O-N 2.91Å; E196-R200 IonicContact OE1-CZ 3.56Å; E196-R200 IonicContact OE1-NH1 3.73Å; E196-R200 IonicContact OE1-NH2 2.62Å; E196-R200 PolarHBondContact OE1-NH2 3.26Å
197	E	86.5	Confident	81.3	Confident	111 Å²	111	62.5 Å²	62.5	52%	0.519	34%	0.342	S	S	.	.	H	α-helix	trans	-65.9	-43.5	179.5	-169.7	-175.4	157.9	0	0	111.7	D195 R200 K201	D195-E197 VanDerWaalsContact C-N 3.27Å; D195-E197 PolarHBondContact O-N 2.62Å; E197-R200 PolarHBondContact O-N 3.48Å; E197-K201 WeakPolarHBondContact O-CG 3.34Å; E197-K201 PolarHBondContact O-N 3.16Å; E197-K201 VanDerWaalsContact OE1-CE 3.31Å; E197-K201 WeakPolarHBondContact OE1-CE 3.44Å; E197-K201 IonicContact OE1-NZ 2.68Å; E197-K201 PolarHBondContact OE1-NZ 3.07Å
198	T	88	Confident	80.1	Confident	30 Å²	30	68.4 Å²	68.4	18%	0.184	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-42.5	177.4	-53.9	0	0	0	0	111.2	L184 L189 I194 D195 K201 A202	L184-T198 HydrophobicContact CD2-CG2 3.91Å; L189-T198 HydrophobicContact CD2-CG2 3.63Å; I194-T198 HydrophobicContact CG2-CG2 4.08Å; D195-T198 PolarHBondContact O-N 3.03Å; D195-T198 WeakPolarHBondContact OD1-CB 3.45Å; D195-T198 PolarHBondContact OD1-N 3.21Å; D195-T198 PolarHBondContact OD1-OG1 2.81Å; T198-K201 PolarHBondContact O-N 3.23Å; T198-A202 PolarHBondContact O-N 2.88Å
199	A	88.7	Confident	79.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-62.1	-42.4	174.7	0	0	0	0	0	111.9	A156 F159 L160 I194 D195 E196 A202 V203	A156-A199 HydrophobicContact CB-CB 4.1Å; F159-A199 HydrophobicContact CD1-CB 4.22Å; L160-A199 HydrophobicContact CD1-CB 4.38Å; L160-A199 HydrophobicContact CD2-CB 4.38Å; L160-A199 HydrophobicContact CG-CB 4.28Å; I194-A199 HydrophobicContact CG2-CB 4.19Å; D195-A199 WeakPolarHBondContact O-CB 3.21Å; D195-A199 PolarHBondContact O-N 3.13Å; E196-A199 PolarHBondContact O-N 3.13Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.3Å; A199-V203 WeakPolarHBondContact O-CG2 3.23Å; A199-V203 PolarHBondContact O-N 2.87Å
200	R	89.1	Confident	79.1	Confident	88 Å²	88	68.7 Å²	68.7	33%	0.332	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-46.9	175.1	-177.8	-178.6	-67.9	117.1	1.6	111.5	F159 E196 E197 A202 V203 E204	F159-R200 HydrophobicContact CE1-CB 4.09Å; F159-R200 HydrophobicContact CZ-CB 4.01Å; F159-R200 HydrophobicContact CZ-CG 4.1Å; E196-R200 WeakPolarHBondContact O-CB 3.39Å; E196-R200 PolarHBondContact O-N 2.91Å; E196-R200 IonicContact OE1-CZ 3.56Å; E196-R200 IonicContact OE1-NH1 3.73Å; E196-R200 IonicContact OE1-NH2 2.62Å; E196-R200 PolarHBondContact OE1-NH2 3.26Å; E197-R200 PolarHBondContact O-N 3.48Å; R200-A202 VanDerWaalsContact C-N 3.27Å; R200-A202 PolarHBondContact O-N 3.04Å; R200-V203 PolarHBondContact O-N 2.8Å; R200-E204 HydrophobicContact CG-CG 4.3Å; R200-E204 WeakPolarHBondContact CG-OE1 3.36Å; R200-E204 WeakPolarHBondContact O-CB 3.41Å; R200-E204 WeakPolarHBondContact O-CG 3.44Å; R200-E204 PolarHBondContact O-N 2.95Å
201	K	85.6	Confident	79.5	Confident	94 Å²	94	62.2 Å²	62.2	41%	0.409	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-38.2	175.7	-74.8	172.6	-174.4	164.7	0	112.3	M187 E197 T198 S205	M187-K201 HydrophobicContact CE-CB 3.61Å; M187-K201 HydrophobicContact CE-CD 4.19Å; E197-K201 WeakPolarHBondContact O-CG 3.34Å; E197-K201 PolarHBondContact O-N 3.16Å; E197-K201 VanDerWaalsContact OE1-CE 3.31Å; E197-K201 WeakPolarHBondContact OE1-CE 3.44Å; E197-K201 IonicContact OE1-NZ 2.68Å; E197-K201 PolarHBondContact OE1-NZ 3.07Å; T198-K201 PolarHBondContact O-N 3.23Å; K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.02Å
202	A	86.4	Confident	79.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-65.6	-46.6	175.7	0	0	0	0	0	111.8	V180 A183 L184 M187 T198 A199 R200 S205 L206	V180-A202 HydrophobicContact CG1-CB 4.33Å; A183-A202 HydrophobicContact CB-CB 4.14Å; L184-A202 HydrophobicContact CD2-CB 3.61Å; L184-A202 HydrophobicContact CG-CB 3.81Å; M187-A202 HydrophobicContact SD-CB 4.22Å; T198-A202 PolarHBondContact O-N 2.88Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.3Å; R200-A202 VanDerWaalsContact C-N 3.27Å; R200-A202 PolarHBondContact O-N 3.04Å; A202-S205 WeakPolarHBondContact O-CB 3.31Å; A202-S205 PolarHBondContact O-N 3.4Å; A202-S205 PolarHBondContact O-OG 3.2Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.23Å
203	V	85.5	Confident	80.2	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.018	31%	0.305	C	S	.	.	H	α-helix	trans	-64.1	-45.1	176.3	175.3	0	0	0	0	111.4	F159 L160 F176 V180 A199 R200 S205 L206 E207	F159-V203 HydrophobicContact CE1-CB 4.28Å; F159-V203 HydrophobicContact CE1-CG2 3.96Å; F159-V203 HydrophobicContact CZ-CB 4.48Å; L160-V203 HydrophobicContact CD2-CG2 3.59Å; F176-V203 HydrophobicContact CZ-CG1 4.43Å; F176-V203 HydrophobicContact CZ-CG2 4.03Å; V180-V203 HydrophobicContact CG2-CG2 4.21Å; A199-V203 WeakPolarHBondContact O-CG2 3.23Å; A199-V203 PolarHBondContact O-N 2.87Å; R200-V203 PolarHBondContact O-N 2.8Å; V203-S205 PolarHBondContact O-N 2.93Å; V203-L206 WeakPolarHBondContact O-CA 3.41Å; V203-L206 WeakPolarHBondContact O-CB 3.21Å; V203-L206 PolarHBondContact O-N 3.49Å; V203-E207 HydrophobicContact CG1-CG 4.33Å; V203-E207 PolarHBondContact O-N 3.23Å
204	E	80.7	Confident	80.5	Confident	71 Å²	71	63.4 Å²	63.4	33%	0.332	31%	0.309	S	S	.	.	H	α-helix	trans	-58.5	-35.5	174.3	-75.6	178.9	-162.9	0	0	112	R200 L206 E207 R208	R200-E204 HydrophobicContact CG-CG 4.3Å; R200-E204 WeakPolarHBondContact CG-OE1 3.36Å; R200-E204 WeakPolarHBondContact O-CB 3.41Å; R200-E204 WeakPolarHBondContact O-CG 3.44Å; R200-E204 PolarHBondContact O-N 2.95Å; E204-L206 PolarHBondContact O-N 2.66Å; E204-E207 PolarHBondContact O-N 3.03Å; E204-R208 WeakPolarHBondContact O-CB 3.32Å; E204-R208 WeakPolarHBondContact O-CG 3.43Å; E204-R208 PolarHBondContact O-N 3.14Å; E204-R208 IonicContact OE2-NH2 2.75Å; E204-R208 PolarHBondContact OE2-NH2 3.37Å; E204-R208 VanDerWaalsContact OE2-NH2 3.15Å
205	S	75.2	Confident	80.5	Confident	44 Å²	44	65.3 Å²	65.3	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-68.7	-22.3	175.6	81.3	0	0	0	0	113.4	K201 A202 V203	K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.02Å; A202-S205 WeakPolarHBondContact O-CB 3.31Å; A202-S205 PolarHBondContact O-N 3.4Å; A202-S205 PolarHBondContact O-OG 3.2Å; V203-S205 PolarHBondContact O-N 2.93Å
206	L	72.1	Confident	80.6	Confident	37 Å²	37	63.3 Å²	63.3	19%	0.194	31%	0.309	C	S	.	.	H	α-helix	trans	-86.1	-39.2	173.7	-63	173.2	0	0	0	111.3	F176 A179 V180 A183 A202 V203 E204 R208 R209	F176-L206 HydrophobicContact CE2-CD1 4.38Å; A179-L206 HydrophobicContact CB-CD1 3.87Å; A179-L206 HydrophobicContact CB-CD2 3.96Å; V180-L206 HydrophobicContact CB-CD1 4.26Å; V180-L206 HydrophobicContact CG2-CD1 3.51Å; A183-L206 HydrophobicContact CB-CD2 4.27Å; A183-L206 HydrophobicContact CB-CG 4.37Å; A202-L206 WeakPolarHBondContact O-CG 3.48Å; A202-L206 PolarHBondContact O-N 3.23Å; V203-L206 WeakPolarHBondContact O-CA 3.41Å; V203-L206 WeakPolarHBondContact O-CB 3.21Å; V203-L206 PolarHBondContact O-N 3.49Å; E204-L206 PolarHBondContact O-N 2.66Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.42Å; L206-R209 WeakPolarHBondContact O-CB 3.34Å; L206-R209 PolarHBondContact O-N 3.4Å
207	E	65.5	Low	80.8	Confident	105 Å²	105	60.8 Å²	60.8	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-67.1	-31.1	176.9	-70.1	-179	167.4	0	0	112.3	H163 V203 E204 R209 T210	H163-E207 IonicContact CD2-OE1 2.74Å; H163-E207 IonicContact CE1-OE1 2.71Å; H163-E207 IonicContact NE2-OE1 3.19Å; H163-E207 PolarHBondContact NE2-OE1 3.48Å; V203-E207 HydrophobicContact CG1-CG 4.33Å; V203-E207 PolarHBondContact O-N 3.23Å; E204-E207 PolarHBondContact O-N 3.03Å; E207-R209 PolarHBondContact O-N 2.86Å; E207-T210 PolarHBondContact O-OG1 2.96Å
208	R	55.5	Low	81	Confident	178 Å²	178	57 Å²	57	67%	0.672	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-6.7	172.9	-74.1	-176.8	-149.8	154.3	10.6	114.7	E204 L206 T210	E204-R208 WeakPolarHBondContact O-CB 3.32Å; E204-R208 WeakPolarHBondContact O-CG 3.43Å; E204-R208 PolarHBondContact O-N 3.14Å; E204-R208 IonicContact OE2-NH2 2.75Å; E204-R208 PolarHBondContact OE2-NH2 3.37Å; E204-R208 VanDerWaalsContact OE2-NH2 3.15Å; L206-R208 VanDerWaalsContact C-N 3.31Å; L206-R208 PolarHBondContact O-N 3.42Å; R208-T210 PolarHBondContact O-N 3.4Å
209	R	63.9	Low	81.3	Confident	115 Å²	115	56.9 Å²	56.9	43%	0.434	28%	0.278	S	S	.	.			trans	-90.8	39.6	176.9	-64.5	178.7	176.6	-141.5	-13.6	112.6	L206 E207 F395	L206-R209 WeakPolarHBondContact O-CB 3.34Å; L206-R209 PolarHBondContact O-N 3.4Å; E207-R209 PolarHBondContact O-N 2.86Å; R209-F395 HydrophobicContact CB-CE1 4.22Å; R209-F395 HydrophobicContact CB-CZ 4.03Å; R209-F395 VanDerWaalsContact O-CE1 3.31Å; R209-F395 WeakPolarHBondContact O-CE1 3.05Å; R209-F395 VanDerWaalsContact O-CZ 3.25Å; R209-F395 WeakPolarHBondContact O-CZ 3.13Å
210	T	68.4	Low	81.5	Confident	94 Å²	94	57.1 Å²	57.1	58%	0.577	28%	0.279	S	S	*	.			trans	-110.6	135.8	170.1	49.7	0	0	0	0	108.4	E207 R208	E207-T210 PolarHBondContact O-OG1 2.96Å; R208-T210 PolarHBondContact O-N 3.4Å
211	L	80.2	Confident	81.7	Confident	14 Å²	14	54.3 Å²	54.3	7%	0.073	27%	0.271	C	S	.	.			trans	-101.6	129.2	168.8	-56.1	168.8	0	0	0	106.9	D215 L216 K391 M392 F395 L400 M403 L540	L211-D215 HydrophobicContact CB-CB 4.14Å; L211-D215 HydrophobicContact CD2-CB 3.87Å; L211-L216 HydrophobicContact CB-CD2 3.67Å; L211-L216 HydrophobicContact CB-CG 4.46Å; L211-K391 HydrophobicContact CD2-CB 3.65Å; L211-M392 HydrophobicContact CD1-CB 4.24Å; L211-M392 HydrophobicContact CD1-CG 4.1Å; L211-F395 HydrophobicContact CD1-CD2 3.96Å; L211-F395 HydrophobicContact CD1-CE2 3.94Å; L211-F395 HydrophobicContact CD1-CG 4.47Å; L211-F395 HydrophobicContact CD1-CZ 4.39Å; L211-F395 HydrophobicContact CD2-CD2 4.34Å; L211-F395 HydrophobicContact CD2-CE2 3.7Å; L211-F395 HydrophobicContact CD2-CZ 4.31Å; L211-F395 HydrophobicContact CG-CD2 4.23Å; L211-F395 HydrophobicContact CG-CE2 3.68Å; L211-F395 HydrophobicContact CG-CZ 3.93Å; L211-L400 HydrophobicContact CD1-CD2 3.79Å; L211-M403 HydrophobicContact CB-CE 3.66Å; L211-M403 HydrophobicContact CD1-CE 3.84Å; L211-M403 HydrophobicContact CD1-SD 4.17Å; L211-M403 HydrophobicContact CG-CE 3.97Å; L211-L540 HydrophobicContact CD1-CD2 3.98Å
212	D	81.5	Confident	81.9	Confident	110 Å²	110	49.8 Å²	49.8	59%	0.588	25%	0.251	S	S	*	.			trans	-138.6	158.3	175	67.9	-12.5	0	0	0	111.1	D214 D215	D212-D214 PolarHBondContact O-N 2.85Å; D212-D215 WeakPolarHBondContact O-CB 3.37Å; D212-D215 PolarHBondContact O-N 2.72Å
213	G	84.6	Confident	82	Confident	29 Å²	29	54.5 Å²	54.5	30%	0.299	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	49.9	-112.9	173.6	0	0	0	0	0	114.6	D215 L216	G213-D215 VanDerWaalsContact C-N 3.31Å; G213-D215 PolarHBondContact O-N 3.07Å; G213-L216 PolarHBondContact O-N 3.49Å
214	D	87.4	Confident	82.2	Confident	83 Å²	83	59.1 Å²	59.1	44%	0.444	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-76.1	-11	-178.4	-74.7	-20.5	0	0	0	114.3	D212 L216 F217 R492 H527	D212-D214 PolarHBondContact O-N 2.85Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 3.3Å; D214-F217 HydrophobicContact CB-CE1 4.4Å; D214-F217 WeakPolarHBondContact OD1-CE1 3.3Å; D214-F217 WeakPolarHBondContact OD1-CZ 3.39Å; D214-R492 IonicContact OD1-CZ 3.47Å; D214-R492 IonicContact OD1-NE 3.09Å; D214-R492 PolarHBondContact OD1-NE 3.32Å; D214-R492 IonicContact OD1-NH2 3.57Å; D214-R492 PolarHBondContact OD1-NH2 3.07Å; D214-H527 IonicContact OD2-CE1 2.74Å; D214-H527 PolarHBondContact OD2-CE1 2.85Å; D214-H527 IonicContact OD2-ND1 3.17Å
215	D	87.2	Confident	82.6	Confident	42 Å²	42	56.8 Å²	56.8	23%	0.225	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-77.2	-13.9	173.6	-65.9	-39.7	0	0	0	112.6	L211 D212 G213 K391	L211-D215 HydrophobicContact CB-CB 4.14Å; L211-D215 HydrophobicContact CD2-CB 3.87Å; D212-D215 WeakPolarHBondContact O-CB 3.37Å; D212-D215 PolarHBondContact O-N 2.72Å; G213-D215 VanDerWaalsContact C-N 3.31Å; G213-D215 PolarHBondContact O-N 3.07Å; D215-K391 VanDerWaalsContact CG-NZ 3.28Å; D215-K391 IonicContact OD1-NZ 2.75Å; D215-K391 PolarHBondContact OD1-NZ 3.06Å; D215-K391 VanDerWaalsContact OD1-NZ 3.12Å; D215-K391 WeakPolarHBondContact OD2-CD 2.9Å; D215-K391 IonicContact OD2-NZ 3.64Å; D215-K391 PolarHBondContact OD2-NZ 2.59Å
216	L	90.8	Very high	83.2	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.052	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-81.1	-11.3	-175.1	-65.5	171.6	0	0	0	114	L211 G213 D214 M392 M403 L444 Y539 L540	L211-L216 HydrophobicContact CB-CD2 3.67Å; L211-L216 HydrophobicContact CB-CG 4.46Å; G213-L216 PolarHBondContact O-N 3.49Å; D214-L216 VanDerWaalsContact C-N 3.26Å; D214-L216 PolarHBondContact O-N 3.3Å; L216-M392 WeakPolarHBondContact O-CE 3.25Å; L216-M403 HydrophobicContact CD2-CE 4.35Å; L216-L444 HydrophobicContact CB-CD1 4.23Å; L216-L444 HydrophobicContact CD1-CD1 3.6Å; L216-Y539 HydrophobicContact CB-CE2 4.19Å; L216-L540 HydrophobicContact CD2-CD1 4.45Å; L216-L540 HydrophobicContact CD2-CD2 3.8Å; L216-L540 HydrophobicContact CD2-CG 4.41Å; L216-L540 PolarHBondContact O-N 3.1Å; L216-L540 VanDerWaalsContact O-N 3.13Å
217	F	93.3	Very high	84.1	Confident	18 Å²	18	56.2 Å²	56.2	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.5	-179.9	70.3	-80	0	0	0	112.7	D214 I219 F446 R492 I529 R538 Y539	D214-F217 HydrophobicContact CB-CE1 4.4Å; D214-F217 WeakPolarHBondContact OD1-CE1 3.3Å; D214-F217 WeakPolarHBondContact OD1-CZ 3.39Å; F217-I219 HydrophobicContact CD2-CD1 4.2Å; F217-I219 HydrophobicContact CD2-CG1 3.86Å; F217-I219 HydrophobicContact CE2-CD1 4.03Å; F217-I219 HydrophobicContact CE2-CG1 4.06Å; F217-F446 HydrophobicContact CB-CZ 4.32Å; F217-F446 AromaticContact CD1-CE1 3.66Å; F217-F446 HydrophobicContact CD1-CE1 3.66Å; F217-F446 AromaticContact CD1-CZ 3.5Å; F217-F446 HydrophobicContact CD1-CZ 3.5Å; F217-F446 VanDerWaalsContact CD1-CZ 3.5Å; F217-F446 AromaticContact CD2-CE1 3.85Å; F217-F446 HydrophobicContact CD2-CE1 3.85Å; F217-F446 HydrophobicContact CD2-CZ 4.4Å; F217-F446 AromaticContact CE1-CE1 3.74Å; F217-F446 HydrophobicContact CE1-CE1 3.74Å; F217-F446 AromaticContact CE1-CZ 3.88Å; F217-F446 HydrophobicContact CE1-CZ 3.88Å; F217-F446 AromaticContact CE2-CE1 3.94Å; F217-F446 HydrophobicContact CE2-CE1 3.94Å; F217-F446 AromaticContact CG-CE1 3.73Å; F217-F446 HydrophobicContact CG-CE1 3.73Å; F217-F446 AromaticContact CG-CZ 3.8Å; F217-F446 HydrophobicContact CG-CZ 3.8Å; F217-F446 AromaticContact CZ-CE1 3.89Å; F217-F446 HydrophobicContact CZ-CE1 3.89Å; F217-F446 HydrophobicContact CZ-CZ 4.49Å; F217-R492 VanDerWaalsContact CE1-CD 3.43Å; F217-R492 VanDerWaalsContact CZ-CD 3.46Å; F217-R492 HydrophobicContact CZ-CG 4.39Å; F217-I529 HydrophobicContact CE2-CD1 4Å; F217-I529 HydrophobicContact CZ-CD1 4.37Å; F217-R538 CarbonylContact C-O 3.56Å; F217-R538 WeakPolarHBondContact CA-O 3.34Å; F217-R538 VanDerWaalsContact CB-O 3.31Å; F217-R538 WeakPolarHBondContact CB-O 3.01Å; F217-Y539 HydrophobicContact CB-CD2 4.23Å
218	I	92.5	Very high	85.3	Confident	32 Å²	32	54 Å²	54	16%	0.164	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.6	173.2	-57.8	174.5	0	0	0	107.4	F388 I537 R538	I218-F388 HydrophobicContact CD1-CB 3.74Å; I218-F388 HydrophobicContact CG2-CB 4.3Å; I218-I537 CarbonylContact O-C 3.47Å; I218-I537 WeakPolarHBondContact O-CA 3.48Å; I218-R538 HydrophobicContact CB-CB 4.45Å; I218-R538 PolarHBondContact N-O 2.55Å; I218-R538 PolarHBondContact O-N 3.43Å
219	I	93.9	Very high	87	Confident	27 Å²	27	47.7 Å²	47.7	14%	0.138	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.8	172.6	-55	-174.3	0	0	0	107.5	F217 I494 I529 A531 H536 I537	F217-I219 HydrophobicContact CD2-CD1 4.2Å; F217-I219 HydrophobicContact CD2-CG1 3.86Å; F217-I219 HydrophobicContact CE2-CD1 4.03Å; F217-I219 HydrophobicContact CE2-CG1 4.06Å; I219-I494 HydrophobicContact CD1-CD1 3.39Å; I219-I494 HydrophobicContact CD1-CG1 3.68Å; I219-I494 HydrophobicContact CD1-CG2 4.43Å; I219-I529 HydrophobicContact CD1-CD1 3.66Å; I219-I529 HydrophobicContact CD1-CG2 4.08Å; I219-A531 HydrophobicContact CG2-CB 4.26Å; I219-H536 WeakPolarHBondContact CA-O 3.5Å; I219-I537 HydrophobicContact CD1-CG1 4.44Å; I219-I537 HydrophobicContact CG1-CG1 4.17Å; I219-I537 HydrophobicContact CG1-CG2 4.32Å; I219-I537 HydrophobicContact CG2-CG1 4.39Å
220	S	92.3	Very high	88.4	Confident	5 Å²	5	43.1 Å²	43.1	4%	0.035	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.3	-179.8	-63.9	0	0	0	0	110.9	E224 F388 H536	S220-E224 WeakPolarHBondContact CA-OE2 3.07Å; S220-F388 WeakPolarHBondContact OG-CD1 3.43Å; S220-F388 WeakPolarHBondContact OG-CE1 3.44Å; S220-H536 PolarHBondContact N-O 2.81Å; S220-H536 PolarHBondContact O-N 3.03Å
221	N	92.8	Very high	89.5	Confident	29 Å²	29	42.3 Å²	42.3	16%	0.155	22%	0.223	C	C	.	.			trans	-75.9	156.7	169.5	-66.7	-56.4	0	0	0	110.3	N223 E224 I225 A531 T532	N221-N223 VanDerWaalsContact CB-OD1 3.23Å; N221-N223 WeakPolarHBondContact CB-OD1 3.44Å; N221-N223 PolarHBondContact O-N 3.44Å; N221-N223 VanDerWaalsContact O-N 3.08Å; N221-E224 HydrophobicContact CB-CG 4.34Å; N221-E224 PolarHBondContact N-OE2 3.27Å; N221-E224 PolarHBondContact ND2-OE1 3.43Å; N221-E224 VanDerWaalsContact ND2-OE1 3.1Å; N221-E224 WeakPolarHBondContact O-CB 3.29Å; N221-E224 PolarHBondContact O-N 3.45Å; N221-I225 PolarHBondContact O-N 2.74Å; N221-A531 WeakPolarHBondContact OD1-CA 3.5Å; N221-T532 WeakPolarHBondContact CA-OG1 3.49Å; N221-T532 HydrophobicContact CB-CG2 3.7Å; N221-T532 PolarHBondContact OD1-N 2.89Å
222	A	91	Very high	90.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.5	-175.2	0	0	0	0	0	114.3	E224 P509 T532 S600	A222-E224 VanDerWaalsContact C-N 3.35Å; A222-P509 HydrophobicContact CB-CB 3.32Å; A222-P509 HydrophobicContact CB-CG 3.45Å; A222-P509 VanDerWaalsContact CB-CG 3.45Å; A222-T532 HydrophobicContact CB-CG2 4.2Å; A222-T532 PolarHBondContact N-OG1 2.85Å; A222-S600 WeakPolarHBondContact O-CB 3.35Å
223	N	88.2	Confident	90.5	Very high	98 Å²	98	47.1 Å²	47.1	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.9	177.3	62.4	-58.8	0	0	0	114.3	N221	N221-N223 VanDerWaalsContact CB-OD1 3.23Å; N221-N223 WeakPolarHBondContact CB-OD1 3.44Å; N221-N223 PolarHBondContact O-N 3.44Å; N221-N223 VanDerWaalsContact O-N 3.08Å
224	E	89.6	Confident	90.8	Very high	100 Å²	100	49.1 Å²	49.1	47%	0.467	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-13.6	177.3	-63.4	159.9	-168.4	0	0	111.5	S220 N221 A222 P226	S220-E224 WeakPolarHBondContact CA-OE2 3.07Å; N221-E224 HydrophobicContact CB-CG 4.34Å; N221-E224 PolarHBondContact N-OE2 3.27Å; N221-E224 PolarHBondContact ND2-OE1 3.43Å; N221-E224 VanDerWaalsContact ND2-OE1 3.1Å; N221-E224 WeakPolarHBondContact O-CB 3.29Å; N221-E224 PolarHBondContact O-N 3.45Å; A222-E224 VanDerWaalsContact C-N 3.35Å; E224-P226 WeakPolarHBondContact O-CD 3.45Å
225	I	89.6	Confident	90.9	Very high	23 Å²	23	51.5 Å²	51.5	12%	0.118	25%	0.252	C	S	.	.	S	Bend	trans	-72.4	120.5	178.5	-60.1	173.8	0	0	0	108.9	N221 H536 H599	N221-I225 PolarHBondContact O-N 2.74Å; I225-H536 HydrophobicContact CD1-CB 4.44Å; I225-H536 WeakPolarHBondContact CD1-CD2 3.48Å; I225-H599 PolarHBondContact O-NE2 2.99Å
226	P	87.6	Confident	91	Very high	51 Å²	51	57.2 Å²	57.2	33%	0.331	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-70.6	142.8	178.2	25.6	-29.7	0	0	0	111.3	E224 Y228	E224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-Y228 HydrophobicContact CB-CE2 3.89Å; P226-Y228 HydrophobicContact CG-CE2 3.93Å
227	K	89.6	Confident	91	Very high	18 Å²	18	58.1 Å²	58.1	8%	0.078	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-93.6	129.1	178.8	-168.5	-177.8	-164.8	-173.3	0	110.9	L229 C240 Y244 E259 H599	K227-L229 HydrophobicContact CD-CD2 4.14Å; K227-L229 HydrophobicContact CG-CD2 4.29Å; K227-C240 HydrophobicContact CB-CB 3.97Å; K227-C240 HydrophobicContact CD-CB 4.15Å; K227-C240 HydrophobicContact CG-CB 4.15Å; K227-C240 WeakPolarHBondContact O-CB 3.49Å; K227-C240 PolarHBondContact O-N 2.88Å; K227-Y244 HydrophobicContact CB-CE2 4.37Å; K227-Y244 HydrophobicContact CD-CE2 3.67Å; K227-Y244 WeakPolarHBondContact CD-OH 3.37Å; K227-Y244 PolarHBondContact NZ-OH 2.87Å; K227-E259 WeakPolarHBondContact CE-OE1 3.43Å; K227-E259 WeakPolarHBondContact CE-OE2 3.3Å; K227-E259 IonicContact NZ-OE1 3.51Å; K227-E259 PolarHBondContact NZ-OE1 3.32Å; K227-E259 IonicContact NZ-OE2 2.66Å; K227-E259 PolarHBondContact NZ-OE2 3.23Å; K227-H599 HydrophobicContact CB-CB 4.42Å; K227-H599 HydrophobicContact CD-CB 4.32Å; K227-H599 HydrophobicContact CG-CB 3.79Å
228	Y	91.3	Very high	90.8	Very high	57 Å²	57	59.2 Å²	59.2	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.1	170.9	-69	-91.2	0	0	0	110.1	P226 V238 P239 L383 P384 S387	P226-Y228 HydrophobicContact CB-CE2 3.89Å; P226-Y228 HydrophobicContact CG-CE2 3.93Å; Y228-V238 CarbonylContact C-O 3.56Å; Y228-V238 WeakPolarHBondContact CA-O 3.15Å; Y228-P239 HydrophobicContact CD1-CB 4.27Å; Y228-P239 HydrophobicContact CE1-CB 3.81Å; Y228-L383 HydrophobicContact CD1-CD1 3.7Å; Y228-L383 HydrophobicContact CD2-CD1 4.11Å; Y228-L383 HydrophobicContact CE1-CD1 4.35Å; Y228-L383 HydrophobicContact CG-CD1 3.6Å; Y228-P384 HydrophobicContact CE1-CG 3.89Å; Y228-P384 HydrophobicContact CE2-CG 4Å; Y228-P384 WeakPolarHBondContact OH-CG 3.35Å; Y228-S387 PolarHBondContact OH-OG 3.42Å
229	L	92	Very high	90.7	Very high	47 Å²	47	60.9 Å²	60.9	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.1	179.1	-55.3	178.9	0	0	0	108.8	K227 F237 V238 C240 E259	K227-L229 HydrophobicContact CD-CD2 4.14Å; K227-L229 HydrophobicContact CG-CD2 4.29Å; L229-F237 CarbonylContact O-C 3.57Å; L229-F237 VanDerWaalsContact O-CA 3.32Å; L229-F237 WeakPolarHBondContact O-CA 2.91Å; L229-V238 HydrophobicContact CB-CG2 4.25Å; L229-V238 PolarHBondContact N-O 3.45Å; L229-V238 PolarHBondContact O-N 2.59Å; L229-C240 HydrophobicContact CD1-CB 4.14Å; L229-C240 HydrophobicContact CG-CB 4.11Å; L229-E259 HydrophobicContact CD2-CG 3.99Å; L229-E259 VanDerWaalsContact CD2-OE1 3.23Å; L229-E259 WeakPolarHBondContact CD2-OE1 3.47Å
230	F	93.3	Very high	90.4	Very high	18 Å²	18	61 Å²	61	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	124	171.8	-175.8	-102.4	0	0	0	110	L232 R235 F237 L262 Q266 L269	F230-L232 HydrophobicContact CE1-CD1 4.19Å; F230-R235 VanDerWaalsContact CE2-C 3.48Å; F230-R235 HydrophobicContact CZ-CB 4.24Å; F230-F237 HydrophobicContact CB-CD1 4.04Å; F230-F237 HydrophobicContact CB-CE1 3.72Å; F230-F237 HydrophobicContact CB-CZ 4.04Å; F230-F237 HydrophobicContact CD2-CD2 4.03Å; F230-F237 HydrophobicContact CD2-CE1 4.35Å; F230-F237 AromaticContact CD2-CE2 3.79Å; F230-F237 HydrophobicContact CD2-CE2 3.79Å; F230-F237 HydrophobicContact CD2-CG 4.39Å; F230-F237 AromaticContact CD2-CZ 3.97Å; F230-F237 HydrophobicContact CD2-CZ 3.97Å; F230-F237 HydrophobicContact CG-CE1 4.5Å; F230-F237 HydrophobicContact CG-CZ 4.38Å; F230-L262 HydrophobicContact CD1-CB 4.37Å; F230-L262 HydrophobicContact CD1-CD2 4.48Å; F230-Q266 HydrophobicContact CD1-CB 3.78Å; F230-Q266 HydrophobicContact CD2-CB 3.84Å; F230-Q266 HydrophobicContact CD2-CG 4.13Å; F230-Q266 HydrophobicContact CE1-CB 3.5Å; F230-Q266 HydrophobicContact CE2-CB 3.58Å; F230-Q266 HydrophobicContact CE2-CG 4.26Å; F230-Q266 HydrophobicContact CG-CB 3.93Å; F230-Q266 HydrophobicContact CG-CG 4.27Å; F230-Q266 HydrophobicContact CZ-CB 3.4Å; F230-L269 HydrophobicContact CE1-CD1 4.1Å; F230-L269 HydrophobicContact CZ-CD1 3.96Å
231	Q	91.9	Very high	90	Very high	77 Å²	77	68.6 Å²	68.6	36%	0.36	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.9	172.7	-73.4	-176.2	-11	0	0	109.8	E233 T234 R235 R236 V238	Q231-E233 PolarHBondContact O-N 2.93Å; Q231-T234 VanDerWaalsContact CB-OG1 3.26Å; Q231-T234 WeakPolarHBondContact CB-OG1 3.12Å; Q231-T234 PolarHBondContact OE1-OG1 2.87Å; Q231-T234 VanDerWaalsContact OE1-OG1 3.09Å; Q231-R235 VanDerWaalsContact O-CA 3.24Å; Q231-R235 WeakPolarHBondContact O-CA 3.18Å; Q231-R235 PolarHBondContact O-N 2.92Å; Q231-R236 PolarHBondContact N-O 3.12Å; Q231-R236 PolarHBondContact O-N 3.45Å; Q231-V238 HydrophobicContact CG-CG1 4.46Å; Q231-V238 HydrophobicContact CG-CG2 3.98Å
232	L	91.2	Very high	89.5	Confident	59 Å²	59	72 Å²	72	31%	0.309	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-35.5	-176	-174.7	61.4	0	0	0	112.1	F230 R235 L262 Y265 L269 L325	F230-L232 HydrophobicContact CE1-CD1 4.19Å; L232-R235 WeakPolarHBondContact O-CG 3.33Å; L232-L262 HydrophobicContact CB-CD2 4.35Å; L232-Y265 HydrophobicContact CD1-CD1 4.24Å; L232-Y265 HydrophobicContact CD1-CE1 3.99Å; L232-L269 HydrophobicContact CD1-CD1 3.97Å; L232-L325 HydrophobicContact CD2-CD1 4.09Å
233	E	91.1	Very high	88.6	Confident	166 Å²	166	81.6 Å²	81.6	78%	0.776	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-41.5	-177.4	-57.4	75.6	-165.2	0	0	111.9	Q231	Q231-E233 PolarHBondContact O-N 2.93Å
234	T	89.8	Confident	87.9	Confident	72 Å²	72	80.2 Å²	80.2	44%	0.442	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-8.5	-179	63.1	0	0	0	0	112.9	Q231 R236	Q231-T234 VanDerWaalsContact CB-OG1 3.26Å; Q231-T234 WeakPolarHBondContact CB-OG1 3.12Å; Q231-T234 PolarHBondContact OE1-OG1 2.87Å; Q231-T234 VanDerWaalsContact OE1-OG1 3.09Å; T234-R236 WeakPolarHBondContact O-CG 3.49Å; T234-R236 PolarHBondContact O-N 3.18Å
235	R	89.3	Confident	87.5	Confident	132 Å²	132	78.9 Å²	78.9	50%	0.498	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	41	-175	-57.7	-175.5	-177.8	-176.9	0.4	113.1	F230 Q231 L232 L269	F230-R235 VanDerWaalsContact CE2-C 3.48Å; F230-R235 HydrophobicContact CZ-CB 4.24Å; Q231-R235 VanDerWaalsContact O-CA 3.24Å; Q231-R235 WeakPolarHBondContact O-CA 3.18Å; Q231-R235 PolarHBondContact O-N 2.92Å; L232-R235 WeakPolarHBondContact O-CG 3.33Å; R235-L269 HydrophobicContact CG-CD1 4.49Å
236	R	89.3	Confident	87.2	Confident	162 Å²	162	81 Å²	81	61%	0.611	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	151.2	-175.3	-73.9	175	-178.4	-171.3	0.1	111.7	Q231 T234	Q231-R236 PolarHBondContact N-O 3.12Å; Q231-R236 PolarHBondContact O-N 3.45Å; T234-R236 WeakPolarHBondContact O-CG 3.49Å; T234-R236 PolarHBondContact O-N 3.18Å
237	F	90.8	Very high	87.1	Confident	29 Å²	29	85.6 Å²	85.6	13%	0.127	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.9	166.7	-73.4	-86.1	0	0	0	111.3	L229 F230 L263 Q266 H380 L383 Y604	L229-F237 CarbonylContact O-C 3.57Å; L229-F237 VanDerWaalsContact O-CA 3.32Å; L229-F237 WeakPolarHBondContact O-CA 2.91Å; F230-F237 HydrophobicContact CB-CD1 4.04Å; F230-F237 HydrophobicContact CB-CE1 3.72Å; F230-F237 HydrophobicContact CB-CZ 4.04Å; F230-F237 HydrophobicContact CD2-CD2 4.03Å; F230-F237 HydrophobicContact CD2-CE1 4.35Å; F230-F237 AromaticContact CD2-CE2 3.79Å; F230-F237 HydrophobicContact CD2-CE2 3.79Å; F230-F237 HydrophobicContact CD2-CG 4.39Å; F230-F237 AromaticContact CD2-CZ 3.97Å; F230-F237 HydrophobicContact CD2-CZ 3.97Å; F230-F237 HydrophobicContact CG-CE1 4.5Å; F230-F237 HydrophobicContact CG-CZ 4.38Å; F237-L263 HydrophobicContact CE1-CD1 3.77Å; F237-L263 HydrophobicContact CZ-CD1 3.87Å; F237-Q266 HydrophobicContact CE2-CG 4.44Å; F237-Q266 HydrophobicContact CZ-CG 4.16Å; F237-H380 HydrophobicContact CD2-CB 4.4Å; F237-H380 AromaticContact CD2-CE1 3.73Å; F237-H380 AromaticContact CD2-CG 3.74Å; F237-H380 AromaticContact CD2-ND1 3.51Å; F237-H380 AromaticContact CE2-CD2 3.8Å; F237-H380 AromaticContact CE2-CE1 3.71Å; F237-H380 AromaticContact CE2-CG 3.95Å; F237-H380 AromaticContact CE2-ND1 3.9Å; F237-H380 AromaticContact CE2-NE2 3.61Å; F237-L383 HydrophobicContact CB-CD1 3.53Å; F237-L383 HydrophobicContact CD1-CD1 4.28Å; F237-L383 HydrophobicContact CD2-CD1 4.29Å; F237-L383 HydrophobicContact CG-CD1 3.79Å; F237-Y604 HydrophobicContact CD2-CE1 4.36Å; F237-Y604 HydrophobicContact CE1-CD1 4.34Å; F237-Y604 HydrophobicContact CE1-CE1 4.39Å; F237-Y604 HydrophobicContact CE2-CD1 4.15Å; F237-Y604 AromaticContact CE2-CE1 3.41Å; F237-Y604 HydrophobicContact CE2-CE1 3.41Å; F237-Y604 VanDerWaalsContact CE2-CE1 3.41Å; F237-Y604 AromaticContact CZ-CD1 3.72Å; F237-Y604 HydrophobicContact CZ-CD1 3.72Å; F237-Y604 AromaticContact CZ-CE1 3.43Å; F237-Y604 HydrophobicContact CZ-CE1 3.43Å; F237-Y604 VanDerWaalsContact CZ-CE1 3.43Å
238	V	90.3	Very high	86.9	Confident	42 Å²	42	85.7 Å²	85.7	26%	0.255	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.8	174.1	-61.4	0	0	0	0	110.3	Y228 L229 Q231 C240	Y228-V238 CarbonylContact C-O 3.56Å; Y228-V238 WeakPolarHBondContact CA-O 3.15Å; L229-V238 HydrophobicContact CB-CG2 4.25Å; L229-V238 PolarHBondContact N-O 3.45Å; L229-V238 PolarHBondContact O-N 2.59Å; Q231-V238 HydrophobicContact CG-CG1 4.46Å; Q231-V238 HydrophobicContact CG-CG2 3.98Å; V238-C240 PolarHBondContact O-N 3.2Å
239	P	89.6	Confident	86.9	Confident	66 Å²	66	88.7 Å²	88.7	43%	0.429	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	132.7	176.1	26.4	-33.2	0	0	0	110.3	Y228 Q241	Y228-P239 HydrophobicContact CD1-CB 4.27Å; Y228-P239 HydrophobicContact CE1-CB 3.81Å; P239-Q241 PolarHBondContact O-N 2.89Å
240	C	88.1	Confident	86.9	Confident	31 Å²	31	90.1 Å²	90.1	21%	0.209	45%	0.449	C	S	.	.			trans	-72.3	125.5	174	-169.7	0	0	0	0	110.5	K227 L229 V238 Y244	K227-C240 HydrophobicContact CB-CB 3.97Å; K227-C240 HydrophobicContact CD-CB 4.15Å; K227-C240 HydrophobicContact CG-CB 4.15Å; K227-C240 WeakPolarHBondContact O-CB 3.49Å; K227-C240 PolarHBondContact O-N 2.88Å; L229-C240 HydrophobicContact CD1-CB 4.14Å; L229-C240 HydrophobicContact CG-CB 4.11Å; V238-C240 PolarHBondContact O-N 3.2Å; C240-Y244 PolarHBondContact SG-OH 3.25Å
241	Q	83.4	Confident	86.9	Confident	163 Å²	163	94.9 Å²	94.9	76%	0.762	48%	0.475	S	S	*	.			trans	-93.1	-5.2	178.8	-59	-63.1	-36.9	0	0	113	P239 K243	P239-Q241 PolarHBondContact O-N 2.89Å; Q241-K243 PolarHBondContact O-N 2.83Å
242	K	81.8	Confident	86.9	Confident	102 Å²	102	91.9 Å²	91.9	44%	0.443	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-70.5	125.7	-178.9	-171.8	177.3	177.5	-175.8	0	109.1	Y244 D252	K242-Y244 HydrophobicContact CB-CE1 4.38Å; K242-Y244 HydrophobicContact CD-CD1 4.44Å; K242-Y244 HydrophobicContact CD-CE1 3.88Å; K242-Y244 HydrophobicContact CG-CE1 4.22Å; K242-Y244 WeakPolarHBondContact O-CD2 3.3Å; K242-Y244 WeakPolarHBondContact O-CE2 3.46Å; K242-Y244 PolarHBondContact O-N 3.11Å; K242-D252 IonicContact NZ-OD1 3.68Å; K242-D252 PolarHBondContact NZ-OD1 3.41Å; K242-D252 IonicContact NZ-OD2 2.69Å; K242-D252 PolarHBondContact NZ-OD2 2.95Å
243	K	73	Confident	87.1	Confident	201 Å²	201	93.4 Å²	93.4	87%	0.874	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-74.5	123.1	167.1	-72.5	-172.6	178.8	-177.9	0	108.6	Q241	Q241-K243 PolarHBondContact O-N 2.83Å
244	Y	72.5	Confident	87.2	Confident	69 Å²	69	89.2 Å²	89.2	27%	0.271	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-88.8	140	-176.9	-70.8	-67.6	0	0	0	112.7	K227 C240 K242 C596	K227-Y244 HydrophobicContact CB-CE2 4.37Å; K227-Y244 HydrophobicContact CD-CE2 3.67Å; K227-Y244 WeakPolarHBondContact CD-OH 3.37Å; K227-Y244 PolarHBondContact NZ-OH 2.87Å; C240-Y244 PolarHBondContact SG-OH 3.25Å; K242-Y244 HydrophobicContact CB-CE1 4.38Å; K242-Y244 HydrophobicContact CD-CD1 4.44Å; K242-Y244 HydrophobicContact CD-CE1 3.88Å; K242-Y244 HydrophobicContact CG-CE1 4.22Å; K242-Y244 WeakPolarHBondContact O-CD2 3.3Å; K242-Y244 WeakPolarHBondContact O-CE2 3.46Å; K242-Y244 PolarHBondContact O-N 3.11Å; Y244-C596 HydrophobicContact CD1-CB 3.53Å; Y244-C596 HydrophobicContact CE1-CB 4.33Å; Y244-C596 HydrophobicContact CG-CB 3.98Å
245	S	82.2	Confident	87.4	Confident	71 Å²	71	88.3 Å²	88.3	50%	0.497	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-87.1	152.8	158.9	170.6	0	0	0	0	108.3	F247 C596	S245-F247 WeakPolarHBondContact CB-O 3.17Å; S245-F247 PolarHBondContact O-N 3.42Å; S245-F247 PolarHBondContact OG-N 3.09Å; S245-F247 PolarHBondContact OG-O 3.38Å; S245-C596 VanDerWaalsContact O-CB 3.24Å; S245-C596 WeakPolarHBondContact O-CB 3.42Å
246	L	82.1	Confident	87.7	Confident	68 Å²	68	82 Å²	82	36%	0.356	42%	0.42	S	S	.	.	S	Bend	trans	-62.9	-35	171.6	-175	65.2	0	0	0	111.3	Y594 L597	L246-Y594 HydrophobicContact CD1-CD1 3.66Å; L246-Y594 HydrophobicContact CD1-CD2 4.07Å; L246-Y594 HydrophobicContact CD1-CE1 3.75Å; L246-Y594 HydrophobicContact CD1-CE2 4.16Å; L246-Y594 HydrophobicContact CD1-CG 3.82Å; L246-Y594 HydrophobicContact CD2-CE1 4.03Å; L246-Y594 HydrophobicContact CG-CD1 3.79Å; L246-Y594 HydrophobicContact CG-CE1 3.61Å; L246-Y594 HydrophobicContact CG-CG 4.46Å; L246-Y594 VanDerWaalsContact O-CD1 3.28Å; L246-Y594 WeakPolarHBondContact O-CD1 3.34Å; L246-L597 HydrophobicContact CD1-CD1 3.71Å
247	F	85.4	Confident	88	Confident	147 Å²	147	76.8 Å²	76.8	65%	0.645	40%	0.402	S	S	*	.	S	Bend	trans	-104.7	107.5	175	-54.6	-73.1	0	0	0	108.5	S245 Y594	S245-F247 WeakPolarHBondContact CB-O 3.17Å; S245-F247 PolarHBondContact O-N 3.42Å; S245-F247 PolarHBondContact OG-N 3.09Å; S245-F247 PolarHBondContact OG-O 3.38Å; F247-Y594 HydrophobicContact CE1-CE1 4.08Å
248	G	86.7	Confident	88.2	Confident	21 Å²	21	81 Å²	81	22%	0.216	42%	0.417	C	S	.	.			trans	-83.7	170.2	176.4	0	0	0	0	0	113.1	D252 C596	G248-D252 VanDerWaalsContact CA-OD2 3.29Å; G248-D252 WeakPolarHBondContact CA-OD2 3.29Å; G248-C596 WeakPolarHBondContact CA-SG 3.2Å
249	D	90.4	Very high	88.5	Confident	120 Å²	120	80.3 Å²	80.3	64%	0.642	41%	0.411	S	S	*	.			trans	-90.8	178.5	176.7	-63.9	-31.7	0	0	0	110.9	D251 D252 W595	D249-D251 PolarHBondContact O-N 3.11Å; D249-D252 PolarHBondContact N-OD2 2.85Å; D249-D252 WeakPolarHBondContact O-CB 3.37Å; D249-D252 PolarHBondContact O-N 3.28Å; D249-W595 WeakPolarHBondContact O-CZ3 2.93Å
250	A	92.4	Very high	88.8	Confident	76 Å²	76	78.3 Å²	78.3	63%	0.628	40%	0.395	S	S	*	.	H	α-helix	trans	-57.9	-34.6	-179.8	0	0	0	0	0	113	D252 K253 V254	A250-D252 VanDerWaalsContact C-N 3.32Å; A250-D252 PolarHBondContact O-N 3.23Å; A250-K253 WeakPolarHBondContact O-CB 3.46Å; A250-K253 PolarHBondContact O-N 2.88Å; A250-V254 PolarHBondContact O-N 3.2Å
251	D	92.8	Very high	89.3	Confident	118 Å²	118	77.3 Å²	77.3	63%	0.631	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-35.8	177.3	-66.1	-31.3	0	0	0	112	D249 K253 V254 D255	D249-D251 PolarHBondContact O-N 3.11Å; D251-K253 PolarHBondContact O-N 2.68Å; D251-V254 PolarHBondContact O-N 2.77Å; D251-V254 VanDerWaalsContact O-N 3.11Å; D251-D255 WeakPolarHBondContact O-CB 3.36Å; D251-D255 PolarHBondContact O-N 2.76Å
252	D	93.3	Very high	89.9	Confident	14 Å²	14	70.5 Å²	70.5	8%	0.075	36%	0.356	C	S	.	.	H	α-helix	trans	-63.5	-32.4	177.9	-68.3	-63.8	0	0	0	111.6	K242 G248 D249 A250 M256 W595 C596	K242-D252 IonicContact NZ-OD1 3.68Å; K242-D252 PolarHBondContact NZ-OD1 3.41Å; K242-D252 IonicContact NZ-OD2 2.69Å; K242-D252 PolarHBondContact NZ-OD2 2.95Å; G248-D252 VanDerWaalsContact CA-OD2 3.29Å; G248-D252 WeakPolarHBondContact CA-OD2 3.29Å; D249-D252 PolarHBondContact N-OD2 2.85Å; D249-D252 WeakPolarHBondContact O-CB 3.37Å; D249-D252 PolarHBondContact O-N 3.28Å; A250-D252 VanDerWaalsContact C-N 3.32Å; A250-D252 PolarHBondContact O-N 3.23Å; D252-M256 WeakPolarHBondContact O-CB 3.42Å; D252-M256 PolarHBondContact O-N 2.75Å; D252-W595 HydrophobicContact CB-CB 4.26Å; D252-W595 HydrophobicContact CB-CE3 4.47Å; D252-C596 VanDerWaalsContact CG-SG 3.57Å
253	K	94.4	Very high	90.6	Very high	91 Å²	91	66.2 Å²	66.2	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-44	173.6	-172.6	-172.1	174.6	-171.2	0	111.5	A250 D251 M256 F257 L588 W595	A250-K253 WeakPolarHBondContact O-CB 3.46Å; A250-K253 PolarHBondContact O-N 2.88Å; D251-K253 PolarHBondContact O-N 2.68Å; K253-M256 WeakPolarHBondContact O-CB 3.33Å; K253-M256 PolarHBondContact O-N 2.71Å; K253-F257 HydrophobicContact CG-CE2 4.3Å; K253-F257 WeakPolarHBondContact O-CD2 3.5Å; K253-F257 PolarHBondContact O-N 3.3Å; K253-L588 HydrophobicContact CG-CD1 4.29Å; K253-W595 HydrophobicContact CB-CD2 3.65Å; K253-W595 HydrophobicContact CB-CE3 3.71Å; K253-W595 HydrophobicContact CB-CG 4.23Å; K253-W595 HydrophobicContact CB-CH2 4.08Å; K253-W595 HydrophobicContact CB-CZ2 4.03Å; K253-W595 HydrophobicContact CB-CZ3 3.93Å; K253-W595 HydrophobicContact CD-CH2 4.18Å; K253-W595 HydrophobicContact CD-CZ2 3.79Å; K253-W595 HydrophobicContact CG-CD2 4.12Å; K253-W595 HydrophobicContact CG-CH2 4.44Å; K253-W595 HydrophobicContact CG-CZ2 3.96Å
254	V	94.2	Very high	91.6	Very high	78 Å²	78	56.6 Å²	56.6	47%	0.473	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-45.7	-179.7	177.2	0	0	0	0	109.9	A250 D251 M256 F257 R258	A250-V254 PolarHBondContact O-N 3.2Å; D251-V254 PolarHBondContact O-N 2.77Å; D251-V254 VanDerWaalsContact O-N 3.11Å; V254-M256 VanDerWaalsContact C-N 3.31Å; V254-M256 PolarHBondContact O-N 3.5Å; V254-F257 PolarHBondContact O-N 3.46Å; V254-R258 PolarHBondContact O-N 3.25Å; V254-R258 VanDerWaalsContact O-N 3.12Å
255	D	93.9	Very high	92.7	Very high	53 Å²	53	55.7 Å²	55.7	28%	0.283	29%	0.292	S	S	.	.	H	α-helix	trans	-61.8	-38.9	177.8	-74.9	-23.5	0	0	0	111.6	D251 F257 R258 E259	D251-D255 WeakPolarHBondContact O-CB 3.36Å; D251-D255 PolarHBondContact O-N 2.76Å; D255-F257 PolarHBondContact O-N 3.27Å; D255-R258 PolarHBondContact O-N 2.84Å; D255-R258 IonicContact OD1-CZ 2.62Å; D255-R258 IonicContact OD1-NH1 3.18Å; D255-R258 PolarHBondContact OD1-NH1 2.78Å; D255-E259 VanDerWaalsContact O-CB 3.29Å; D255-E259 WeakPolarHBondContact O-CB 3.43Å; D255-E259 WeakPolarHBondContact O-CG 3.26Å; D255-E259 PolarHBondContact O-N 2.78Å
256	M	95.1	Very high	93.3	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-54.7	-50.7	175.7	-175.1	-158.1	76.6	0	0	112.7	D252 K253 V254 E259 R260 L588 V593 W595 D598	D252-M256 WeakPolarHBondContact O-CB 3.42Å; D252-M256 PolarHBondContact O-N 2.75Å; K253-M256 WeakPolarHBondContact O-CB 3.33Å; K253-M256 PolarHBondContact O-N 2.71Å; V254-M256 VanDerWaalsContact C-N 3.31Å; V254-M256 PolarHBondContact O-N 3.5Å; M256-E259 PolarHBondContact O-N 2.71Å; M256-R260 WeakPolarHBondContact O-CG 3.36Å; M256-R260 PolarHBondContact O-N 3.32Å; M256-L588 HydrophobicContact CE-CD1 3.99Å; M256-L588 HydrophobicContact CE-CD2 4.04Å; M256-L588 HydrophobicContact CE-CG 4.27Å; M256-L588 HydrophobicContact SD-CD2 4.37Å; M256-V593 HydrophobicContact SD-CG2 3.58Å; M256-V593 VanDerWaalsContact SD-CG2 3.58Å; M256-W595 HydrophobicContact SD-CB 4.36Å; M256-W595 HydrophobicContact SD-CG 4.36Å; M256-D598 HydrophobicContact CG-CB 3.59Å; M256-D598 VanDerWaalsContact CG-CG 3.43Å; M256-D598 WeakPolarHBondContact CG-OD2 3.3Å; M256-D598 HydrophobicContact SD-CB 4.02Å
257	F	95.6	Very high	93.8	Very high	51 Å²	51	49.2 Å²	49.2	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-39.4	178.7	-76.7	-73	0	0	0	112.4	K253 V254 D255 E259 R260 F261 D346 L588	K253-F257 HydrophobicContact CG-CE2 4.3Å; K253-F257 WeakPolarHBondContact O-CD2 3.5Å; K253-F257 PolarHBondContact O-N 3.3Å; V254-F257 PolarHBondContact O-N 3.46Å; D255-F257 PolarHBondContact O-N 3.27Å; F257-E259 VanDerWaalsContact C-N 3.31Å; F257-E259 PolarHBondContact O-N 2.81Å; F257-R260 PolarHBondContact O-N 2.97Å; F257-F261 PolarHBondContact O-N 2.81Å; F257-D346 HydrophobicContact CE1-CB 4.08Å; F257-L588 HydrophobicContact CE2-CD1 3.79Å; F257-L588 HydrophobicContact CE2-CG 4.4Å; F257-L588 HydrophobicContact CZ-CD1 3.87Å; F257-L588 HydrophobicContact CZ-CG 3.97Å
258	R	96	Very high	94	Very high	118 Å²	118	42.3 Å²	42.3	45%	0.445	22%	0.222	S	C	.	.	H	α-helix	trans	-59.9	-43.4	174.6	-179.3	-176	-69.6	144.2	-5.6	111.3	V254 D255 F261 L262 L325	V254-R258 PolarHBondContact O-N 3.25Å; V254-R258 VanDerWaalsContact O-N 3.12Å; D255-R258 PolarHBondContact O-N 2.84Å; D255-R258 IonicContact OD1-CZ 2.62Å; D255-R258 IonicContact OD1-NH1 3.18Å; D255-R258 PolarHBondContact OD1-NH1 2.78Å; R258-F261 PolarHBondContact O-N 2.77Å; R258-L262 HydrophobicContact CG-CD1 3.99Å; R258-L262 WeakPolarHBondContact O-CB 3.42Å; R258-L262 WeakPolarHBondContact O-CG 3.24Å; R258-L262 PolarHBondContact O-N 3.47Å; R258-L325 HydrophobicContact CG-CD2 3.98Å
259	E	95.8	Very high	94	Very high	28 Å²	28	42.7 Å²	42.7	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-65.1	-45.8	178.8	-73.6	168	-171.1	0	0	111.6	K227 L229 D255 M256 F257 F261 L262 L263 Y602	K227-E259 WeakPolarHBondContact CE-OE1 3.43Å; K227-E259 WeakPolarHBondContact CE-OE2 3.3Å; K227-E259 IonicContact NZ-OE1 3.51Å; K227-E259 PolarHBondContact NZ-OE1 3.32Å; K227-E259 IonicContact NZ-OE2 2.66Å; K227-E259 PolarHBondContact NZ-OE2 3.23Å; L229-E259 HydrophobicContact CD2-CG 3.99Å; L229-E259 VanDerWaalsContact CD2-OE1 3.23Å; L229-E259 WeakPolarHBondContact CD2-OE1 3.47Å; D255-E259 VanDerWaalsContact O-CB 3.29Å; D255-E259 WeakPolarHBondContact O-CB 3.43Å; D255-E259 WeakPolarHBondContact O-CG 3.26Å; D255-E259 PolarHBondContact O-N 2.78Å; M256-E259 PolarHBondContact O-N 2.71Å; F257-E259 VanDerWaalsContact C-N 3.31Å; F257-E259 PolarHBondContact O-N 2.81Å; E259-F261 VanDerWaalsContact C-N 3.33Å; E259-F261 PolarHBondContact O-N 3.12Å; E259-L262 PolarHBondContact O-N 2.92Å; E259-L263 VanDerWaalsContact O-CB 3.26Å; E259-L263 WeakPolarHBondContact O-CB 3.08Å; E259-L263 PolarHBondContact O-N 2.74Å; E259-Y602 WeakPolarHBondContact CB-OH 3.4Å; E259-Y602 PolarHBondContact OE2-OH 3.3Å
260	R	96.5	Very high	93.7	Very high	24 Å²	24	39.1 Å²	39.1	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-57.3	-46.4	174.6	-72.9	-177.7	-179.2	-167.9	3.7	111.7	M256 F257 L263 V264 H582 D598 Y602	M256-R260 WeakPolarHBondContact O-CG 3.36Å; M256-R260 PolarHBondContact O-N 3.32Å; F257-R260 PolarHBondContact O-N 2.97Å; R260-L263 PolarHBondContact O-N 2.88Å; R260-V264 PolarHBondContact O-N 3.47Å; R260-H582 PolarHBondContact NE-NE2 2.95Å; R260-H582 PolarHBondContact NH2-CE1 3.02Å; R260-H582 PolarHBondContact NH2-NE2 3.09Å; R260-D598 IonicContact CZ-OD1 3.5Å; R260-D598 IonicContact CZ-OD2 2.72Å; R260-D598 IonicContact NE-OD1 3.6Å; R260-D598 IonicContact NE-OD2 3.24Å; R260-D598 PolarHBondContact NE-OD2 3.08Å; R260-D598 IonicContact NH2-OD1 2.66Å; R260-D598 PolarHBondContact NH2-OD1 3.34Å; R260-D598 IonicContact NH2-OD2 2.72Å; R260-D598 PolarHBondContact NH2-OD2 3.31Å; R260-Y602 HydrophobicContact CG-CE1 4.06Å
261	F	97.5	Very high	93.3	Very high	10 Å²	10	38.4 Å²	38.4	4%	0.044	18%	0.182	C	C	.	.	H	α-helix	trans	-59.8	-52	176.4	175.1	-100	0	0	0	111.6	F257 R258 E259 L263 V264 Y265 V309 V311 D324 L325 V348	F257-F261 PolarHBondContact O-N 2.81Å; R258-F261 PolarHBondContact O-N 2.77Å; E259-F261 VanDerWaalsContact C-N 3.33Å; E259-F261 PolarHBondContact O-N 3.12Å; F261-L263 VanDerWaalsContact C-N 3.31Å; F261-L263 PolarHBondContact O-N 3Å; F261-V264 PolarHBondContact O-N 3.1Å; F261-Y265 HydrophobicContact CE1-CD2 4.21Å; F261-Y265 HydrophobicContact CE1-CG 4.12Å; F261-Y265 HydrophobicContact CE2-CD2 4.5Å; F261-Y265 AromaticContact CZ-CD2 3.79Å; F261-Y265 HydrophobicContact CZ-CD2 3.79Å; F261-Y265 HydrophobicContact CZ-CE2 4.46Å; F261-Y265 HydrophobicContact CZ-CG 4.14Å; F261-Y265 WeakPolarHBondContact O-CB 3.36Å; F261-Y265 PolarHBondContact O-N 2.75Å; F261-V309 HydrophobicContact CE2-CG1 4.21Å; F261-V311 HydrophobicContact CB-CG2 4.24Å; F261-V311 HydrophobicContact CD2-CG2 3.87Å; F261-V311 HydrophobicContact CG-CG2 4.44Å; F261-D324 HydrophobicContact CZ-CB 4.23Å; F261-L325 HydrophobicContact CD1-CD1 4.39Å; F261-L325 HydrophobicContact CD1-CD2 4.07Å; F261-L325 HydrophobicContact CD1-CG 4Å; F261-L325 HydrophobicContact CE1-CD1 4.13Å; F261-L325 HydrophobicContact CE1-CD2 4.38Å; F261-L325 HydrophobicContact CE1-CG 3.8Å; F261-V348 HydrophobicContact CD2-CG1 4.09Å; F261-V348 HydrophobicContact CD2-CG2 4.29Å; F261-V348 HydrophobicContact CE2-CG1 4.31Å
262	L	96.9	Very high	92.7	Very high	20 Å²	20	40.6 Å²	40.6	11%	0.105	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-35.6	-179.2	-75.6	174	0	0	0	112.9	F230 L232 R258 E259 V264 Y265 Q266 L325	F230-L262 HydrophobicContact CD1-CB 4.37Å; F230-L262 HydrophobicContact CD1-CD2 4.48Å; L232-L262 HydrophobicContact CB-CD2 4.35Å; R258-L262 HydrophobicContact CG-CD1 3.99Å; R258-L262 WeakPolarHBondContact O-CB 3.42Å; R258-L262 WeakPolarHBondContact O-CG 3.24Å; R258-L262 PolarHBondContact O-N 3.47Å; E259-L262 PolarHBondContact O-N 2.92Å; L262-V264 VanDerWaalsContact C-N 3.31Å; L262-V264 PolarHBondContact O-N 3.33Å; L262-Y265 PolarHBondContact O-N 3.22Å; L262-Q266 WeakPolarHBondContact O-CB 3.36Å; L262-Q266 WeakPolarHBondContact O-CG 3.19Å; L262-Q266 PolarHBondContact O-N 3.04Å; L262-L325 HydrophobicContact CD2-CD1 3.85Å
263	L	94.9	Very high	92.2	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-36.9	178.8	-171.1	69.7	0	0	0	112.6	F237 E259 R260 F261 Q266 S581 Y602 Y604	F237-L263 HydrophobicContact CE1-CD1 3.77Å; F237-L263 HydrophobicContact CZ-CD1 3.87Å; E259-L263 VanDerWaalsContact O-CB 3.26Å; E259-L263 WeakPolarHBondContact O-CB 3.08Å; E259-L263 PolarHBondContact O-N 2.74Å; R260-L263 PolarHBondContact O-N 2.88Å; F261-L263 VanDerWaalsContact C-N 3.31Å; F261-L263 PolarHBondContact O-N 3Å; L263-Q266 WeakPolarHBondContact O-CG 3.46Å; L263-Q266 PolarHBondContact O-NE2 3.48Å; L263-S581 WeakPolarHBondContact CD2-OG 3.09Å; L263-Y602 HydrophobicContact CD2-CD1 4.2Å; L263-Y602 HydrophobicContact CD2-CD2 3.63Å; L263-Y602 HydrophobicContact CD2-CE2 4.16Å; L263-Y602 HydrophobicContact CD2-CG 3.66Å; L263-Y604 HydrophobicContact CD1-CD1 3.91Å; L263-Y604 HydrophobicContact CD1-CG 3.89Å; L263-Y604 HydrophobicContact CG-CG 4.45Å
264	V	95.9	Very high	91.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-82.4	-45.4	175.4	-180	0	0	0	0	110.3	R260 F261 L262 Q266 R267 V348 P368 A579	R260-V264 PolarHBondContact O-N 3.47Å; F261-V264 PolarHBondContact O-N 3.1Å; L262-V264 VanDerWaalsContact C-N 3.31Å; L262-V264 PolarHBondContact O-N 3.33Å; V264-Q266 VanDerWaalsContact C-N 3.28Å; V264-Q266 PolarHBondContact O-N 3.28Å; V264-R267 WeakPolarHBondContact O-CB 3.39Å; V264-R267 WeakPolarHBondContact O-CG 3.29Å; V264-R267 PolarHBondContact O-N 3.15Å; V264-R267 VanDerWaalsContact O-N 3.15Å; V264-V348 HydrophobicContact CB-CB 4.29Å; V264-V348 HydrophobicContact CB-CG1 4.19Å; V264-V348 HydrophobicContact CB-CG2 4.23Å; V264-V348 HydrophobicContact CG1-CB 4.14Å; V264-V348 HydrophobicContact CG1-CG1 3.93Å; V264-V348 HydrophobicContact CG2-CB 4.49Å; V264-V348 HydrophobicContact CG2-CG2 4.22Å; V264-P368 HydrophobicContact CG1-CB 3.62Å; V264-P368 HydrophobicContact CG1-CG 3.55Å; V264-A579 WeakPolarHBondContact CG1-O 3.32Å
265	Y	95.3	Very high	90.4	Very high	50 Å²	50	38.3 Å²	38.3	20%	0.196	18%	0.178	C	C	.	.	H	α-helix	trans	-58.7	-37.4	-177.5	-175.8	-98	0	0	0	112.8	L232 F261 L262 R267 L268 L269 I290 V309	L232-Y265 HydrophobicContact CD1-CD1 4.24Å; L232-Y265 HydrophobicContact CD1-CE1 3.99Å; F261-Y265 HydrophobicContact CE1-CD2 4.21Å; F261-Y265 HydrophobicContact CE1-CG 4.12Å; F261-Y265 HydrophobicContact CE2-CD2 4.5Å; F261-Y265 AromaticContact CZ-CD2 3.79Å; F261-Y265 HydrophobicContact CZ-CD2 3.79Å; F261-Y265 HydrophobicContact CZ-CE2 4.46Å; F261-Y265 HydrophobicContact CZ-CG 4.14Å; F261-Y265 WeakPolarHBondContact O-CB 3.36Å; F261-Y265 PolarHBondContact O-N 2.75Å; L262-Y265 PolarHBondContact O-N 3.22Å; Y265-R267 PolarHBondContact O-N 2.76Å; Y265-R267 VanDerWaalsContact O-N 3.14Å; Y265-L268 HydrophobicContact CD2-CD1 4.21Å; Y265-L268 WeakPolarHBondContact O-CB 3.47Å; Y265-L268 PolarHBondContact O-N 2.81Å; Y265-L269 HydrophobicContact CD1-CD1 4.44Å; Y265-L269 HydrophobicContact CD1-CG 4.39Å; Y265-L269 HydrophobicContact CE1-CD1 4.32Å; Y265-L269 HydrophobicContact CE1-CD2 3.8Å; Y265-L269 HydrophobicContact CE1-CG 4.14Å; Y265-I290 HydrophobicContact CE2-CG2 4.37Å; Y265-V309 HydrophobicContact CD2-CB 4.24Å; Y265-V309 HydrophobicContact CD2-CG1 4.02Å; Y265-V309 HydrophobicContact CE2-CB 4.33Å
266	Q	93.5	Very high	88.9	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-26.4	-180	69.2	80.2	30.4	0	0	113.9	F230 F237 L262 L263 V264 L268 L269 H270 H380 Y604	F230-Q266 HydrophobicContact CD1-CB 3.78Å; F230-Q266 HydrophobicContact CD2-CB 3.84Å; F230-Q266 HydrophobicContact CD2-CG 4.13Å; F230-Q266 HydrophobicContact CE1-CB 3.5Å; F230-Q266 HydrophobicContact CE2-CB 3.58Å; F230-Q266 HydrophobicContact CE2-CG 4.26Å; F230-Q266 HydrophobicContact CG-CB 3.93Å; F230-Q266 HydrophobicContact CG-CG 4.27Å; F230-Q266 HydrophobicContact CZ-CB 3.4Å; F237-Q266 HydrophobicContact CE2-CG 4.44Å; F237-Q266 HydrophobicContact CZ-CG 4.16Å; L262-Q266 WeakPolarHBondContact O-CB 3.36Å; L262-Q266 WeakPolarHBondContact O-CG 3.19Å; L262-Q266 PolarHBondContact O-N 3.04Å; L263-Q266 WeakPolarHBondContact O-CG 3.46Å; L263-Q266 PolarHBondContact O-NE2 3.48Å; V264-Q266 VanDerWaalsContact C-N 3.28Å; V264-Q266 PolarHBondContact O-N 3.28Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 PolarHBondContact O-N 3.2Å; Q266-L269 WeakPolarHBondContact O-CB 3.23Å; Q266-L269 PolarHBondContact O-N 3.17Å; Q266-H270 PolarHBondContact O-ND1 3.48Å; Q266-H270 VanDerWaalsContact O-ND1 3.16Å; Q266-H380 PolarHBondContact OE1-NE2 3.36Å; Q266-Y604 VanDerWaalsContact NE2-CE2 3.3Å; Q266-Y604 PolarHBondContact NE2-OH 3.47Å
267	R	92.9	Very high	86.8	Confident	3 Å²	3	52.7 Å²	52.7	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-38.1	175.9	-58.8	173.7	-178.9	-178.3	-9.4	111.1	V264 Y265 L269 H270 H271 E371 L578 A579 S581	V264-R267 WeakPolarHBondContact O-CB 3.39Å; V264-R267 WeakPolarHBondContact O-CG 3.29Å; V264-R267 PolarHBondContact O-N 3.15Å; V264-R267 VanDerWaalsContact O-N 3.15Å; Y265-R267 PolarHBondContact O-N 2.76Å; Y265-R267 VanDerWaalsContact O-N 3.14Å; R267-L269 VanDerWaalsContact C-N 3.27Å; R267-L269 PolarHBondContact O-N 2.9Å; R267-H270 PolarHBondContact O-N 2.77Å; R267-H271 WeakPolarHBondContact O-CB 3.49Å; R267-H271 PolarHBondContact O-N 2.69Å; R267-H271 VanDerWaalsContact O-N 3.14Å; R267-E371 HydrophobicContact CG-CB 4.18Å; R267-L578 PolarHBondContact NH1-O 3.18Å; R267-L578 PolarHBondContact NH2-O 3.43Å; R267-A579 PolarHBondContact NH1-O 3.25Å; R267-S581 PolarHBondContact NH2-OG 3.12Å
268	L	90.5	Very high	84.7	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-31	178.4	-64.6	166.7	0	0	0	112.1	Y265 Q266 H270 H271 F274 I290 V309 M350 P368 P369	Y265-L268 HydrophobicContact CD2-CD1 4.21Å; Y265-L268 WeakPolarHBondContact O-CB 3.47Å; Y265-L268 PolarHBondContact O-N 2.81Å; Q266-L268 VanDerWaalsContact C-N 3.28Å; Q266-L268 PolarHBondContact O-N 3.2Å; L268-H270 PolarHBondContact O-N 3.38Å; L268-H271 PolarHBondContact O-N 3.3Å; L268-F274 HydrophobicContact CB-CD2 4.47Å; L268-F274 HydrophobicContact CD2-CD2 3.71Å; L268-F274 HydrophobicContact CD2-CE2 3.52Å; L268-F274 HydrophobicContact CD2-CZ 4.19Å; L268-F274 WeakPolarHBondContact O-CB 2.84Å; L268-I290 HydrophobicContact CB-CD1 3.93Å; L268-I290 HydrophobicContact CD1-CD1 4.06Å; L268-I290 HydrophobicContact CD2-CD1 4.45Å; L268-I290 HydrophobicContact CG-CD1 4.4Å; L268-V309 HydrophobicContact CD1-CB 4.16Å; L268-V309 HydrophobicContact CD1-CG1 3.8Å; L268-V309 HydrophobicContact CD1-CG2 3.42Å; L268-V309 VanDerWaalsContact CD1-CG2 3.42Å; L268-M350 HydrophobicContact CD1-SD 4.46Å; L268-M350 HydrophobicContact CD2-CE 4.43Å; L268-M350 HydrophobicContact CD2-SD 3.74Å; L268-P368 HydrophobicContact CD1-CB 4.31Å; L268-P368 HydrophobicContact CD1-CG 4.49Å; L268-P368 HydrophobicContact CD2-CB 4.34Å; L268-P368 HydrophobicContact CG-CB 4.34Å; L268-P369 HydrophobicContact CD2-CG 3.88Å
269	L	87.1	Confident	82.3	Confident	30 Å²	30	54.1 Å²	54.1	16%	0.157	28%	0.279	C	S	.	.	H	α-helix	trans	-65.2	-25.4	179.1	-60.5	178.1	0	0	0	112.7	F230 L232 R235 Y265 Q266 R267	F230-L269 HydrophobicContact CE1-CD1 4.1Å; F230-L269 HydrophobicContact CZ-CD1 3.96Å; L232-L269 HydrophobicContact CD1-CD1 3.97Å; R235-L269 HydrophobicContact CG-CD1 4.49Å; Y265-L269 HydrophobicContact CD1-CD1 4.44Å; Y265-L269 HydrophobicContact CD1-CG 4.39Å; Y265-L269 HydrophobicContact CE1-CD1 4.32Å; Y265-L269 HydrophobicContact CE1-CD2 3.8Å; Y265-L269 HydrophobicContact CE1-CG 4.14Å; Q266-L269 WeakPolarHBondContact O-CB 3.23Å; Q266-L269 PolarHBondContact O-N 3.17Å; R267-L269 VanDerWaalsContact C-N 3.27Å; R267-L269 PolarHBondContact O-N 2.9Å
270	H	82.7	Confident	80	Confident	44 Å²	44	57.7 Å²	57.7	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-102.3	-15.8	-179.9	-53.7	119.4	0	0	0	113.2	Q266 R267 L268 H379 H380	Q266-H270 PolarHBondContact O-ND1 3.48Å; Q266-H270 VanDerWaalsContact O-ND1 3.16Å; R267-H270 PolarHBondContact O-N 2.77Å; L268-H270 PolarHBondContact O-N 3.38Å; H270-H379 AromaticContact CG-CD2 3.83Å; H270-H379 AromaticContact CG-CG 3.66Å; H270-H379 AromaticContact CG-ND1 3.96Å; H270-H379 AromaticContact ND1-CG 3.9Å; H270-H380 AromaticContact CE1-CE1 3.69Å; H270-H380 AromaticContact CE1-NE2 3.49Å; H270-H380 PolarHBondContact CE1-NE2 2.86Å; H270-H380 AromaticContact ND1-NE2 3.99Å
271	H	84.5	Confident	77.6	Confident	61 Å²	61	60 Å²	60	28%	0.282	34%	0.339	S	S	.	.	S	Bend	trans	-72.8	135.2	-175	-170.7	-79.8	0	0	0	112.4	R267 L268 L273 F274 S275 P369	R267-H271 WeakPolarHBondContact O-CB 3.49Å; R267-H271 PolarHBondContact O-N 2.69Å; R267-H271 VanDerWaalsContact O-N 3.14Å; L268-H271 PolarHBondContact O-N 3.3Å; H271-L273 PolarHBondContact ND1-N 2.99Å; H271-L273 PolarHBondContact O-N 3.08Å; H271-L273 VanDerWaalsContact O-N 3.09Å; H271-F274 HydrophobicContact CB-CD2 4.06Å; H271-F274 AromaticContact ND1-CD2 3.81Å; H271-F274 AromaticContact ND1-CE2 3.84Å; H271-F274 PolarHBondContact O-N 3.19Å; H271-S275 PolarHBondContact O-N 2.8Å; H271-S275 PolarHBondContact O-OG 2.92Å; H271-P369 HydrophobicContact CB-CG 4.39Å; H271-P369 VanDerWaalsContact CD2-CG 3.43Å; H271-P369 WeakPolarHBondContact CD2-CG 3.07Å
272	E	81.1	Confident	75.1	Confident	164 Å²	164	66.1 Å²	66.1	77%	0.766	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.6	-170.4	-60.6	-177.5	170.1	0	0	114.7	F274	E272-F274 VanDerWaalsContact C-N 3.25Å; E272-F274 PolarHBondContact O-N 2.75Å
273	L	80.9	Confident	72.8	Confident	72 Å²	72	73 Å²	73	38%	0.377	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17	178.3	-65.1	179	0	0	0	114.2	H271 Y288	H271-L273 PolarHBondContact ND1-N 2.99Å; H271-L273 PolarHBondContact O-N 3.08Å; H271-L273 VanDerWaalsContact O-N 3.09Å; L273-Y288 PolarHBondContact O-N 3.16Å
274	F	80.9	Confident	70.6	Confident	35 Å²	35	80.4 Å²	80.4	15%	0.154	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-19.2	-172.9	-50.9	-74.7	0	0	0	113.6	L268 H271 E272 Y288 I290 M350	L268-F274 HydrophobicContact CB-CD2 4.47Å; L268-F274 HydrophobicContact CD2-CD2 3.71Å; L268-F274 HydrophobicContact CD2-CE2 3.52Å; L268-F274 HydrophobicContact CD2-CZ 4.19Å; L268-F274 WeakPolarHBondContact O-CB 2.84Å; H271-F274 HydrophobicContact CB-CD2 4.06Å; H271-F274 AromaticContact ND1-CD2 3.81Å; H271-F274 AromaticContact ND1-CE2 3.84Å; H271-F274 PolarHBondContact O-N 3.19Å; E272-F274 VanDerWaalsContact C-N 3.25Å; E272-F274 PolarHBondContact O-N 2.75Å; F274-Y288 HydrophobicContact CE1-CG 4.37Å; F274-I290 HydrophobicContact CB-CD1 4.02Å; F274-I290 HydrophobicContact CD1-CD1 3.58Å; F274-I290 HydrophobicContact CD1-CG1 3.59Å; F274-I290 HydrophobicContact CD2-CD1 4.48Å; F274-I290 HydrophobicContact CE1-CD1 4.19Å; F274-I290 HydrophobicContact CE1-CG1 4.04Å; F274-I290 HydrophobicContact CG-CD1 3.76Å; F274-I290 HydrophobicContact CG-CG1 4.28Å; F274-M350 HydrophobicContact CE1-CE 3.76Å; F274-M350 HydrophobicContact CE2-CE 4.17Å; F274-M350 HydrophobicContact CZ-CE 3.29Å; F274-M350 HydrophobicContact CZ-SD 4.34Å
275	S	70.7	Confident	68.6	Low	29 Å²	29	86 Å²	86	20%	0.203	48%	0.476	C	S	.	.			trans	-77.1	143.2	-178.5	68.6	0	0	0	0	113.1	H271 K287	H271-S275 PolarHBondContact O-N 2.8Å; H271-S275 PolarHBondContact O-OG 2.92Å; S275-K287 PolarHBondContact O-NZ 3.01Å
276	E	62.5	Low	66.7	Low	181 Å²	181	89.5 Å²	89.5	85%	0.846	49%	0.492	S	S	*	.	S	Bend	trans	-77.7	-18.5	-178.8	-67.3	-174.6	164.1	0	0	113.2	G278	E276-G278 PolarHBondContact O-N 3.16Å
277	E	51.4	Low	65.4	Low	174 Å²	174	94.6 Å²	94.6	81%	0.813	52%	0.515	S	S	*	.			trans	-78.5	32.5	-164.2	-61.8	-167.9	164.5	0	0	116.4
278	G	50.7	Low	64.6	Low	49 Å²	49	98.1 Å²	98.1	51%	0.505	53%	0.528	S	S	.	.			trans	-99.7	94.1	171.7	0	0	0	0	0	112.3	E276 S280	E276-G278 PolarHBondContact O-N 3.16Å; G278-S280 PolarHBondContact O-N 2.88Å
279	T	46.5	Very low	64.1	Low	150 Å²	150	104.7 Å²	104.7	92%	0.92	56%	0.561	S	S	*	*			trans	-73.5	8.3	171.5	-10.6	0	0	0	0	113.7
280	S	46.7	Very low	64.1	Low	103 Å²	103	105.2 Å²	105.2	72%	0.72	56%	0.563	S	S	*	*	S	Bend	trans	-109.8	111.2	-175.9	-60.3	0	0	0	0	111	G278 N282	G278-S280 PolarHBondContact O-N 2.88Å; S280-N282 PolarHBondContact O-N 2.83Å
281	G	46.3	Very low	64.4	Low	73 Å²	73	106.4 Å²	106.4	75%	0.753	57%	0.566	S	S	*	*			trans	-70	54.5	-175	0	0	0	0	0	116.2	I283	G281-I283 PolarHBondContact O-N 3.41Å
282	N	44.6	Very low	64.7	Low	138 Å²	138	105.9 Å²	105.9	74%	0.738	57%	0.569	S	S	*	*			trans	-83.2	99.1	163.4	-81.8	-5.5	0	0	0	109.2	S280 L284	S280-N282 PolarHBondContact O-N 2.83Å; N282-L284 PolarHBondContact O-N 3Å
283	I	49.5	Very low	65.2	Low	166 Å²	166	98.1 Å²	98.1	85%	0.851	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.1	-174.6	-63.7	165.9	0	0	0	113.4	G281	G281-I283 PolarHBondContact O-N 3.41Å
284	L	49.1	Very low	65.5	Low	165 Å²	165	96.3 Å²	96.3	86%	0.864	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-6.4	-171.7	-70.1	170.3	0	0	0	116	N282 K286	N282-L284 PolarHBondContact O-N 3Å; L284-K286 PolarHBondContact O-N 3.1Å
285	N	53.7	Low	65.8	Low	118 Å²	118	96.3 Å²	96.3	63%	0.631	54%	0.536	S	S	*	.	S	Bend	trans	-87.1	106.6	173.3	-75	0.5	0	0	0	109.2	K287	N285-K287 VanDerWaalsContact C-N 3.3Å; N285-K287 PolarHBondContact O-N 3.42Å
286	K	55.8	Low	66.4	Low	124 Å²	124	95 Å²	95	54%	0.539	53%	0.527	S	S	.	.			trans	-57.5	94	168.6	-173	-178.7	177	-166.6	0	107.8	L284 Y288	L284-K286 PolarHBondContact O-N 3.1Å; K286-Y288 HydrophobicContact CD-CE1 4.03Å; K286-Y288 HydrophobicContact CG-CE1 4.44Å; K286-Y288 PolarHBondContact O-N 3.44Å
287	K	64.3	Low	67	Low	107 Å²	107	88.8 Å²	88.8	47%	0.465	50%	0.503	S	S	.	.			trans	-73	122.7	172	-78.9	-165.6	176.3	-162.7	0	108.1	S275 N285	S275-K287 PolarHBondContact O-NZ 3.01Å; N285-K287 VanDerWaalsContact C-N 3.3Å; N285-K287 PolarHBondContact O-N 3.42Å
288	Y	77	Confident	68	Low	76 Å²	76	84.4 Å²	84.4	30%	0.298	50%	0.496	S	S	.	.			trans	-86.4	132.5	177.1	-67.6	-84.3	0	0	0	109.1	L273 F274 K286 V307	L273-Y288 PolarHBondContact O-N 3.16Å; F274-Y288 HydrophobicContact CE1-CG 4.37Å; K286-Y288 HydrophobicContact CD-CE1 4.03Å; K286-Y288 HydrophobicContact CG-CE1 4.44Å; K286-Y288 PolarHBondContact O-N 3.44Å; Y288-V307 HydrophobicContact CD1-CG2 3.69Å; Y288-V307 HydrophobicContact CE1-CG2 4.46Å; Y288-V307 HydrophobicContact CG-CG2 4.36Å
289	M	80.1	Confident	69	Low	140 Å²	140	86.3 Å²	86.3	69%	0.69	49%	0.492	S	S	*	.			trans	-93.7	112.3	173.1	-174.4	179	-66	0	0	108.8	R291	M289-R291 PolarHBondContact O-N 3.29Å
290	I	87.2	Confident	69.9	Low	40 Å²	40	87.7 Å²	87.7	21%	0.205	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.6	173	-61.2	166.7	0	0	0	108.1	Y265 L268 F274 V307 V309	Y265-I290 HydrophobicContact CE2-CG2 4.37Å; L268-I290 HydrophobicContact CB-CD1 3.93Å; L268-I290 HydrophobicContact CD1-CD1 4.06Å; L268-I290 HydrophobicContact CD2-CD1 4.45Å; L268-I290 HydrophobicContact CG-CD1 4.4Å; F274-I290 HydrophobicContact CB-CD1 4.02Å; F274-I290 HydrophobicContact CD1-CD1 3.58Å; F274-I290 HydrophobicContact CD1-CG1 3.59Å; F274-I290 HydrophobicContact CD2-CD1 4.48Å; F274-I290 HydrophobicContact CE1-CD1 4.19Å; F274-I290 HydrophobicContact CE1-CG1 4.04Å; F274-I290 HydrophobicContact CG-CD1 3.76Å; F274-I290 HydrophobicContact CG-CG1 4.28Å; I290-V307 WeakPolarHBondContact CA-O 3.21Å; I290-V309 HydrophobicContact CD1-CG2 4.18Å; I290-V309 HydrophobicContact CG1-CG2 4.31Å; I290-V309 HydrophobicContact CG2-CB 4.37Å; I290-V309 HydrophobicContact CG2-CG2 3.78Å
291	R	88.9	Confident	70.9	Confident	70 Å²	70	85.6 Å²	85.6	26%	0.264	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.4	175.9	-69	179.9	173.6	-102.6	8.6	110.3	M289 L296 E299 V307	M289-R291 PolarHBondContact O-N 3.29Å; R291-L296 HydrophobicContact CB-CD2 4.26Å; R291-E299 IonicContact CZ-OE1 2.73Å; R291-E299 IonicContact NH1-OE1 2.77Å; R291-E299 PolarHBondContact NH1-OE1 3.46Å; R291-E299 IonicContact NH2-OE1 2.74Å; R291-V307 PolarHBondContact N-O 3.17Å
292	S	91.7	Very high	71.9	Confident	49 Å²	49	87.1 Å²	87.1	34%	0.343	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-82.4	151.5	168.6	65.2	0	0	0	0	110.3	G294 S295 L296 D324	S292-G294 VanDerWaalsContact C-N 3.28Å; S292-G294 PolarHBondContact O-N 3.37Å; S292-S295 PolarHBondContact N-OG 3.02Å; S292-S295 PolarHBondContact O-N 3.42Å; S292-S295 VanDerWaalsContact O-N 3.09Å; S292-S295 PolarHBondContact O-OG 3.24Å; S292-S295 WeakPolarHBondContact OG-CB 3.41Å; S292-S295 PolarHBondContact OG-N 3.11Å; S292-S295 PolarHBondContact OG-OG 2.64Å; S292-L296 PolarHBondContact O-N 3.05Å; S292-D324 VanDerWaalsContact CA-OD2 3.32Å; S292-D324 WeakPolarHBondContact CA-OD2 3.48Å
293	V	90.6	Very high	73.1	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.006	45%	0.447	C	S	.	.	H	α-helix	trans	-56.6	-44.9	175.9	173.6	0	0	0	0	110.8	S295 L296 C297 V308 D324 S326 I329	V293-S295 VanDerWaalsContact C-N 3.25Å; V293-S295 PolarHBondContact O-N 3.43Å; V293-L296 WeakPolarHBondContact O-CB 3.36Å; V293-L296 PolarHBondContact O-N 2.75Å; V293-L296 VanDerWaalsContact O-N 3.07Å; V293-C297 PolarHBondContact O-N 3.46Å; V293-V308 HydrophobicContact CG2-CG1 3.86Å; V293-D324 WeakPolarHBondContact CB-OD1 3.16Å; V293-D324 HydrophobicContact CG2-CB 4.04Å; V293-D324 VanDerWaalsContact CG2-CG 3.49Å; V293-D324 PolarHBondContact N-OD2 3.48Å; V293-S326 PolarHBondContact N-OG 3.38Å; V293-I329 HydrophobicContact CG1-CB 3.74Å; V293-I329 HydrophobicContact CG1-CG2 3.74Å; V293-I329 HydrophobicContact CG2-CG2 4.29Å
294	G	87.3	Confident	74.2	Confident	34 Å²	34	81.1 Å²	81.1	35%	0.351	44%	0.44	S	S	.	.	H	α-helix	trans	-60.8	-31.3	177.9	0	0	0	0	0	113.7	S292 C297 A298 S326	S292-G294 VanDerWaalsContact C-N 3.28Å; S292-G294 PolarHBondContact O-N 3.37Å; G294-C297 PolarHBondContact O-N 3.46Å; G294-A298 PolarHBondContact O-N 3.01Å; G294-S326 PolarHBondContact N-OG 3.24Å
295	S	87.3	Confident	75.6	Confident	36 Å²	36	78.7 Å²	78.7	25%	0.252	43%	0.428	S	S	.	.	H	α-helix	trans	-72.4	-29.8	175.4	67.8	0	0	0	0	113.5	S292 V293 C297 A298	S292-S295 PolarHBondContact N-OG 3.02Å; S292-S295 PolarHBondContact O-N 3.42Å; S292-S295 VanDerWaalsContact O-N 3.09Å; S292-S295 PolarHBondContact O-OG 3.24Å; S292-S295 WeakPolarHBondContact OG-CB 3.41Å; S292-S295 PolarHBondContact OG-N 3.11Å; S292-S295 PolarHBondContact OG-OG 2.64Å; V293-S295 VanDerWaalsContact C-N 3.25Å; V293-S295 PolarHBondContact O-N 3.43Å; S295-C297 VanDerWaalsContact C-N 3.32Å; S295-A298 PolarHBondContact O-N 3.45Å
296	L	83.9	Confident	77.1	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	40%	0.398	C	S	.	.	H	α-helix	trans	-68.7	-35.2	174.4	-60.5	176.9	0	0	0	111.7	R291 S292 V293 A298 L303 A306 V308 I329 L360	R291-L296 HydrophobicContact CB-CD2 4.26Å; S292-L296 PolarHBondContact O-N 3.05Å; V293-L296 WeakPolarHBondContact O-CB 3.36Å; V293-L296 PolarHBondContact O-N 2.75Å; V293-L296 VanDerWaalsContact O-N 3.07Å; L296-A298 PolarHBondContact O-N 3.3Å; L296-L303 HydrophobicContact CD2-CD1 3.8Å; L296-A306 HydrophobicContact CD2-CB 3.88Å; L296-V308 HydrophobicContact CD1-CG1 4.48Å; L296-V308 HydrophobicContact CD1-CG2 3.38Å; L296-V308 HydrophobicContact CD2-CG2 4.46Å; L296-V308 HydrophobicContact CG-CG2 4.29Å; L296-I329 HydrophobicContact CB-CD1 4.46Å; L296-I329 HydrophobicContact CD1-CD1 4.46Å; L296-L360 HydrophobicContact CD1-CD1 4.48Å; L296-L360 HydrophobicContact CD1-CD2 4.41Å
297	C	73.8	Confident	78.8	Confident	50 Å²	50	67.6 Å²	67.6	34%	0.338	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-10.7	177.9	-63.5	0	0	0	0	113.8	V293 G294 S295 M358	V293-C297 PolarHBondContact O-N 3.46Å; G294-C297 PolarHBondContact O-N 3.46Å; S295-C297 VanDerWaalsContact C-N 3.32Å; C297-M358 HydrophobicContact CB-CE 3.81Å
298	A	73.8	Confident	80.2	Confident	82 Å²	82	62.5 Å²	62.5	68%	0.678	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-13.6	-175.7	0	0	0	0	0	114	G294 S295 L296	G294-A298 PolarHBondContact O-N 3.01Å; S295-A298 PolarHBondContact O-N 3.45Å; L296-A298 PolarHBondContact O-N 3.3Å
299	E	71.8	Confident	81.1	Confident	88 Å²	88	59 Å²	59	41%	0.411	34%	0.339	S	S	.	.			trans	-95.3	127.2	-178.4	-70.2	-170.2	-155.7	0	0	111.7	R291 G301 L303	R291-E299 IonicContact CZ-OE1 2.73Å; R291-E299 IonicContact NH1-OE1 2.77Å; R291-E299 PolarHBondContact NH1-OE1 3.46Å; R291-E299 IonicContact NH2-OE1 2.74Å; E299-G301 PolarHBondContact O-N 2.88Å; E299-L303 HydrophobicContact CB-CD1 3.82Å; E299-L303 HydrophobicContact CB-CG 4.26Å; E299-L303 HydrophobicContact CG-CD1 4.17Å; E299-L303 WeakPolarHBondContact OE2-CD1 3.42Å; E299-L303 WeakPolarHBondContact OE2-CD2 3.33Å; E299-L303 WeakPolarHBondContact OE2-CG 3.32Å
300	D	63.6	Low	81.9	Confident	180 Å²	180	52.4 Å²	52.4	96%	0.963	31%	0.306	S	S	*	.			trans	-80.6	108.3	171	-74.4	-36.2	0	0	0	110
301	G	67.8	Low	82.4	Confident	58 Å²	58	51.5 Å²	51.5	60%	0.598	30%	0.303	S	S	*	.	S	Bend	trans	137.2	-176.9	172.3	0	0	0	0	0	114.9	E299 L303	E299-G301 PolarHBondContact O-N 2.88Å; G301-L303 PolarHBondContact O-N 3.49Å
302	I	68.7	Low	82.8	Confident	106 Å²	106	48.2 Å²	48.2	54%	0.544	29%	0.29	S	S	.	.			trans	-82.7	98.1	174.8	-58.4	170.5	0	0	0	108.4	K304 F354	I302-K304 HydrophobicContact CG2-CG 4.32Å; I302-K304 PolarHBondContact O-N 3.5Å; I302-F354 HydrophobicContact CG2-CB 4.47Å; I302-F354 HydrophobicContact CG2-CD2 4.35Å
303	L	68.8	Low	82.9	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.084	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	112.9	167.2	-95.6	167.4	0	0	0	109.4	L296 E299 G301 F354 C355	L296-L303 HydrophobicContact CD2-CD1 3.8Å; E299-L303 HydrophobicContact CB-CD1 3.82Å; E299-L303 HydrophobicContact CB-CG 4.26Å; E299-L303 HydrophobicContact CG-CD1 4.17Å; E299-L303 WeakPolarHBondContact OE2-CD1 3.42Å; E299-L303 WeakPolarHBondContact OE2-CD2 3.33Å; E299-L303 WeakPolarHBondContact OE2-CG 3.32Å; G301-L303 PolarHBondContact O-N 3.49Å; L303-F354 WeakPolarHBondContact O-CA 3.27Å; L303-F354 WeakPolarHBondContact O-CB 3.48Å; L303-C355 HydrophobicContact CB-CB 4.27Å; L303-C355 PolarHBondContact O-N 3.17Å
304	K	73.3	Confident	82.9	Confident	161 Å²	161	49.7 Å²	49.7	70%	0.7	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	144.7	175.2	-64.3	-173.3	178.8	-174.8	0	111	I302 A306	I302-K304 HydrophobicContact CG2-CG 4.32Å; I302-K304 PolarHBondContact O-N 3.5Å; K304-A306 PolarHBondContact O-N 2.97Å
305	D	78.8	Confident	82.7	Confident	115 Å²	115	53.1 Å²	53.1	62%	0.615	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.9	45.3	171.8	-49.4	-28.3	0	0	0	113.9	G353	D305-G353 PolarHBondContact N-O 2.72Å
306	A	84.9	Confident	82.6	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.008	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	129.8	174.2	0	0	0	0	0	110.4	L296 K304 E352 G353	L296-A306 HydrophobicContact CD2-CB 3.88Å; K304-A306 PolarHBondContact O-N 2.97Å; A306-E352 WeakPolarHBondContact O-CA 3.32Å; A306-G353 PolarHBondContact N-O 2.86Å; A306-G353 PolarHBondContact O-N 3.16Å
307	V	91.6	Very high	82.7	Confident	8 Å²	8	65.1 Å²	65.1	5%	0.048	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.7	169.1	179.3	0	0	0	0	108.9	Y288 I290 R291 M350 V351	Y288-V307 HydrophobicContact CD1-CG2 3.69Å; Y288-V307 HydrophobicContact CE1-CG2 4.46Å; Y288-V307 HydrophobicContact CG-CG2 4.36Å; I290-V307 WeakPolarHBondContact CA-O 3.21Å; R291-V307 PolarHBondContact N-O 3.17Å; V307-M350 HydrophobicContact CG1-CE 3.99Å; V307-V351 WeakPolarHBondContact CA-O 3.42Å
308	V	94	Very high	83.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.8	-177.3	-168.1	0	0	0	0	108.8	V293 L296 L322 M350 V351 L360	V293-V308 HydrophobicContact CG2-CG1 3.86Å; L296-V308 HydrophobicContact CD1-CG1 4.48Å; L296-V308 HydrophobicContact CD1-CG2 3.38Å; L296-V308 HydrophobicContact CD2-CG2 4.46Å; L296-V308 HydrophobicContact CG-CG2 4.29Å; V308-L322 HydrophobicContact CB-CD2 3.84Å; V308-L322 HydrophobicContact CG1-CD2 3.52Å; V308-M350 WeakPolarHBondContact O-CA 3.38Å; V308-V351 HydrophobicContact CB-CG2 3.87Å; V308-V351 HydrophobicContact CG2-CG2 4.49Å; V308-V351 PolarHBondContact N-O 3.22Å; V308-V351 PolarHBondContact O-N 2.66Å; V308-L360 HydrophobicContact CG2-CD2 4.15Å
309	V	95.9	Very high	84.1	Confident	3 Å²	3	68.9 Å²	68.9	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.5	174.6	-176.7	0	0	0	0	107.6	F261 Y265 L268 I290 V348 V349 M350 P368	F261-V309 HydrophobicContact CE2-CG1 4.21Å; Y265-V309 HydrophobicContact CD2-CB 4.24Å; Y265-V309 HydrophobicContact CD2-CG1 4.02Å; Y265-V309 HydrophobicContact CE2-CB 4.33Å; L268-V309 HydrophobicContact CD1-CB 4.16Å; L268-V309 HydrophobicContact CD1-CG1 3.8Å; L268-V309 HydrophobicContact CD1-CG2 3.42Å; L268-V309 VanDerWaalsContact CD1-CG2 3.42Å; I290-V309 HydrophobicContact CD1-CG2 4.18Å; I290-V309 HydrophobicContact CG1-CG2 4.31Å; I290-V309 HydrophobicContact CG2-CB 4.37Å; I290-V309 HydrophobicContact CG2-CG2 3.78Å; V309-V348 HydrophobicContact CG1-CG1 4Å; V309-V349 WeakPolarHBondContact CA-O 3.37Å; V309-M350 HydrophobicContact CG2-CG 3.7Å; V309-P368 HydrophobicContact CG1-CG 4.44Å
310	G	96.9	Very high	85.3	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	172.7	-178.3	0	0	0	0	0	112	E323 V348 V349	G310-E323 CarbonylContact C-O 3.56Å; G310-E323 WeakPolarHBondContact CA-O 3.46Å; G310-V348 CarbonylContact O-C 3.6Å; G310-V348 WeakPolarHBondContact O-CA 3.39Å; G310-V349 PolarHBondContact N-O 2.89Å; G310-V349 PolarHBondContact O-N 2.79Å
311	V	97.4	Very high	86.9	Confident	21 Å²	21	58.5 Å²	58.5	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126	171.2	-177.7	0	0	0	0	108.2	F261 L322 E323 D346 S347 V348	F261-V311 HydrophobicContact CB-CG2 4.24Å; F261-V311 HydrophobicContact CD2-CG2 3.87Å; F261-V311 HydrophobicContact CG-CG2 4.44Å; V311-L322 WeakPolarHBondContact O-CA 3.18Å; V311-E323 PolarHBondContact N-O 2.74Å; V311-E323 PolarHBondContact O-N 2.89Å; V311-D346 HydrophobicContact CG1-CB 4.44Å; V311-S347 WeakPolarHBondContact CA-O 3.5Å; V311-V348 HydrophobicContact CG2-CG2 4.26Å
312	I	96.8	Very high	88.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.1	174.4	-168.1	153.4	0	0	0	110.5	F320 Y321 L333 D346 S347 V349 I365 F560	I312-F320 HydrophobicContact CD1-CD1 4.38Å; I312-F320 HydrophobicContact CG1-CD1 4.17Å; I312-Y321 WeakPolarHBondContact CA-O 3.01Å; I312-L333 HydrophobicContact CD1-CD1 3.96Å; I312-D346 WeakPolarHBondContact O-CA 3.07Å; I312-D346 PolarHBondContact O-N 2.88Å; I312-S347 PolarHBondContact N-O 2.97Å; I312-V349 HydrophobicContact CB-CG2 4Å; I312-V349 HydrophobicContact CG2-CG1 4.14Å; I312-V349 HydrophobicContact CG2-CG2 4.46Å; I312-I365 HydrophobicContact CD1-CD1 4.12Å; I312-F560 HydrophobicContact CD1-CE1 4.17Å; I312-F560 HydrophobicContact CD1-CE2 3.9Å; I312-F560 HydrophobicContact CD1-CZ 3.44Å; I312-F560 VanDerWaalsContact CD1-CZ 3.44Å; I312-F560 HydrophobicContact CG1-CE1 4.36Å; I312-F560 HydrophobicContact CG1-CZ 4.09Å; I312-F560 HydrophobicContact CG2-CE1 3.79Å; I312-F560 HydrophobicContact CG2-CZ 3.87Å
313	S	94.1	Very high	89.5	Confident	7 Å²	7	54 Å²	54	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	160.3	-177.9	72.8	0	0	0	0	112	F320 Y321 E323	S313-F320 CarbonylContact O-C 3.51Å; S313-F320 WeakPolarHBondContact O-CA 3.38Å; S313-Y321 PolarHBondContact N-O 3.32Å; S313-Y321 PolarHBondContact O-N 2.88Å; S313-E323 WeakPolarHBondContact CB-OE1 3.49Å; S313-E323 PolarHBondContact OG-OE1 2.87Å
314	Q	91.1	Very high	90.8	Very high	75 Å²	75	54.6 Å²	54.6	35%	0.35	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	87.9	174.5	-168.4	177.6	53.6	0	0	109.9	K316 K319 E345	Q314-K316 VanDerWaalsContact CG-O 3.3Å; Q314-K316 WeakPolarHBondContact CG-O 3.43Å; Q314-K319 WeakPolarHBondContact CG-O 3.29Å; Q314-E345 HydrophobicContact CB-CG 4.42Å; Q314-E345 PolarHBondContact OE1-OE1 2.72Å
315	M	83.4	Confident	91.8	Very high	105 Å²	105	51.3 Å²	51.3	52%	0.517	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-28.9	-178.4	-55.1	179.8	84.2	0	0	113.2	Y321	M315-Y321 HydrophobicContact CB-CD2 3.73Å; M315-Y321 HydrophobicContact CB-CE2 3.92Å; M315-Y321 HydrophobicContact CB-CG 4.43Å; M315-Y321 HydrophobicContact CG-CD2 3.78Å; M315-Y321 HydrophobicContact CG-CE2 4.42Å; M315-Y321 HydrophobicContact CG-CG 4.04Å; M315-Y321 HydrophobicContact SD-CD1 4.13Å; M315-Y321 HydrophobicContact SD-CD2 4.08Å; M315-Y321 HydrophobicContact SD-CG 3.83Å
316	K	85.1	Confident	92.5	Very high	122 Å²	122	48.9 Å²	48.9	53%	0.53	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.9	177.3	-63.1	176.5	-168.7	150.9	0	108.4	Q314 D318 K319 Y321	Q314-K316 VanDerWaalsContact CG-O 3.3Å; Q314-K316 WeakPolarHBondContact CG-O 3.43Å; K316-D318 PolarHBondContact O-N 2.72Å; K316-K319 HydrophobicContact CB-CB 4.22Å; K316-K319 HydrophobicContact CB-CD 4.32Å; K316-K319 HydrophobicContact CD-CD 4.24Å; K316-K319 PolarHBondContact O-N 2.85Å; K316-K319 VanDerWaalsContact O-N 3.12Å; K316-Y321 HydrophobicContact CB-CE2 4.42Å; K316-Y321 WeakPolarHBondContact CD-OH 3.32Å; K316-Y321 HydrophobicContact CG-CE2 4.4Å; K316-Y321 PolarHBondContact NZ-OH 3.06Å; K316-Y321 VanDerWaalsContact NZ-OH 3.08Å
317	Q	85.1	Confident	92.8	Very high	169 Å²	169	50.1 Å²	50.1	79%	0.79	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	128.2	178.1	-171.2	178	-10.1	0	0	110.7	K319	Q317-K319 PolarHBondContact O-N 2.8Å; Q317-K319 VanDerWaalsContact O-N 3.12Å
318	D	84.5	Confident	93	Very high	127 Å²	127	54.7 Å²	54.7	68%	0.679	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	17.7	177.8	-52.5	-38.5	0	0	0	115.3	K316	K316-D318 PolarHBondContact O-N 2.72Å
319	K	93.6	Very high	93	Very high	83 Å²	83	54.9 Å²	54.9	36%	0.361	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.3	175	-69.8	-177.9	167.9	-121.2	0	111.3	Q314 K316 Q317 Y321 E330	Q314-K319 WeakPolarHBondContact CG-O 3.29Å; K316-K319 HydrophobicContact CB-CB 4.22Å; K316-K319 HydrophobicContact CB-CD 4.32Å; K316-K319 HydrophobicContact CD-CD 4.24Å; K316-K319 PolarHBondContact O-N 2.85Å; K316-K319 VanDerWaalsContact O-N 3.12Å; Q317-K319 PolarHBondContact O-N 2.8Å; Q317-K319 VanDerWaalsContact O-N 3.12Å; K319-Y321 HydrophobicContact CB-CE2 3.89Å; K319-E330 VanDerWaalsContact NZ-CD 3.33Å; K319-E330 IonicContact NZ-OE1 3.92Å; K319-E330 PolarHBondContact NZ-OE1 2.85Å; K319-E330 IonicContact NZ-OE2 3.82Å; K319-E330 PolarHBondContact NZ-OE2 3.39Å
320	F	96	Very high	93	Very high	39 Å²	39	56.7 Å²	56.7	17%	0.171	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	147.1	176.1	-66.5	-80.1	0	0	0	110.7	I312 S313 V331 L333 F560	I312-F320 HydrophobicContact CD1-CD1 4.38Å; I312-F320 HydrophobicContact CG1-CD1 4.17Å; S313-F320 CarbonylContact O-C 3.51Å; S313-F320 WeakPolarHBondContact O-CA 3.38Å; F320-V331 HydrophobicContact CB-CG2 3.48Å; F320-V331 VanDerWaalsContact CB-CG2 3.48Å; F320-V331 PolarHBondContact O-N 3.36Å; F320-L333 HydrophobicContact CB-CD1 4.05Å; F320-L333 HydrophobicContact CD1-CD1 4.42Å; F320-L333 HydrophobicContact CD2-CD1 3.68Å; F320-L333 HydrophobicContact CE2-CD1 4.25Å; F320-L333 HydrophobicContact CG-CD1 3.77Å; F320-F560 HydrophobicContact CE1-CB 3.94Å; F320-F560 AromaticContact CE1-CD1 3.97Å; F320-F560 HydrophobicContact CE1-CD1 3.97Å; F320-F560 HydrophobicContact CE1-CD2 4.25Å; F320-F560 AromaticContact CE1-CG 3.8Å; F320-F560 HydrophobicContact CE1-CG 3.8Å; F320-F560 HydrophobicContact CZ-CB 3.63Å; F320-F560 HydrophobicContact CZ-CD1 4.49Å; F320-F560 HydrophobicContact CZ-CD2 4.21Å; F320-F560 AromaticContact CZ-CG 3.89Å; F320-F560 HydrophobicContact CZ-CG 3.89Å
321	Y	96.6	Very high	92.9	Very high	11 Å²	11	57.1 Å²	57.1	4%	0.043	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151	175.1	-68	-93.7	0	0	0	108.8	I312 S313 M315 K316 K319 I329 E330	I312-Y321 WeakPolarHBondContact CA-O 3.01Å; S313-Y321 PolarHBondContact N-O 3.32Å; S313-Y321 PolarHBondContact O-N 2.88Å; M315-Y321 HydrophobicContact CB-CD2 3.73Å; M315-Y321 HydrophobicContact CB-CE2 3.92Å; M315-Y321 HydrophobicContact CB-CG 4.43Å; M315-Y321 HydrophobicContact CG-CD2 3.78Å; M315-Y321 HydrophobicContact CG-CE2 4.42Å; M315-Y321 HydrophobicContact CG-CG 4.04Å; M315-Y321 HydrophobicContact SD-CD1 4.13Å; M315-Y321 HydrophobicContact SD-CD2 4.08Å; M315-Y321 HydrophobicContact SD-CG 3.83Å; K316-Y321 HydrophobicContact CB-CE2 4.42Å; K316-Y321 WeakPolarHBondContact CD-OH 3.32Å; K316-Y321 HydrophobicContact CG-CE2 4.4Å; K316-Y321 PolarHBondContact NZ-OH 3.06Å; K316-Y321 VanDerWaalsContact NZ-OH 3.08Å; K319-Y321 HydrophobicContact CB-CE2 3.89Å; Y321-I329 CarbonylContact C-O 3.59Å; Y321-I329 VanDerWaalsContact CA-O 3.23Å; Y321-I329 WeakPolarHBondContact CA-O 3.42Å; Y321-E330 HydrophobicContact CD1-CB 4.05Å; Y321-E330 HydrophobicContact CE1-CB 3.62Å; Y321-E330 HydrophobicContact CE1-CG 4.06Å; Y321-E330 PolarHBondContact OH-OE2 2.8Å
322	L	96.6	Very high	92.8	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124	170.7	-172.5	75.3	0	0	0	108.5	V308 V311 H328 I329 V331 V349 V351 L360	V308-L322 HydrophobicContact CB-CD2 3.84Å; V308-L322 HydrophobicContact CG1-CD2 3.52Å; V311-L322 WeakPolarHBondContact O-CA 3.18Å; L322-H328 VanDerWaalsContact O-CA 3.28Å; L322-H328 WeakPolarHBondContact O-CA 3.31Å; L322-I329 HydrophobicContact CB-CG2 4.18Å; L322-I329 PolarHBondContact N-O 2.93Å; L322-I329 PolarHBondContact O-N 2.85Å; L322-V331 HydrophobicContact CB-CG1 3.55Å; L322-V349 HydrophobicContact CD1-CG2 3.57Å; L322-V351 HydrophobicContact CD2-CG2 3.55Å; L322-L360 HydrophobicContact CD2-CD2 4.23Å
323	E	95.4	Very high	92.7	Very high	68 Å²	68	59.9 Å²	59.9	32%	0.318	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.7	-175.6	-54.8	-169.6	-130.5	0	0	111	G310 V311 S313 G327 H328	G310-E323 CarbonylContact C-O 3.56Å; G310-E323 WeakPolarHBondContact CA-O 3.46Å; V311-E323 PolarHBondContact N-O 2.74Å; V311-E323 PolarHBondContact O-N 2.89Å; S313-E323 WeakPolarHBondContact CB-OE1 3.49Å; S313-E323 PolarHBondContact OG-OE1 2.87Å; E323-G327 WeakPolarHBondContact CA-O 3.3Å; E323-H328 HydrophobicContact CG-CB 3.82Å
324	D	94.8	Very high	92.7	Very high	30 Å²	30	63.7 Å²	63.7	16%	0.16	33%	0.329	C	S	.	.			trans	-128.4	-166.3	168.7	75.6	-1.3	0	0	0	110.2	F261 S292 V293 S326 G327	F261-D324 HydrophobicContact CZ-CB 4.23Å; S292-D324 VanDerWaalsContact CA-OD2 3.32Å; S292-D324 WeakPolarHBondContact CA-OD2 3.48Å; V293-D324 WeakPolarHBondContact CB-OD1 3.16Å; V293-D324 HydrophobicContact CG2-CB 4.04Å; V293-D324 VanDerWaalsContact CG2-CG 3.49Å; V293-D324 PolarHBondContact N-OD2 3.48Å; D324-S326 VanDerWaalsContact CG-OG 3.24Å; D324-S326 PolarHBondContact O-N 3.5Å; D324-S326 VanDerWaalsContact OD1-CA 3.31Å; D324-S326 WeakPolarHBondContact OD1-CA 3.33Å; D324-S326 WeakPolarHBondContact OD1-CB 3.28Å; D324-S326 PolarHBondContact OD1-N 2.88Å; D324-S326 PolarHBondContact OD1-OG 2.96Å; D324-S326 PolarHBondContact OD2-OG 2.89Å; D324-S326 VanDerWaalsContact OD2-OG 3.12Å; D324-G327 PolarHBondContact N-O 3.24Å; D324-G327 PolarHBondContact OD1-N 3.24Å
325	L	94.3	Very high	92.8	Very high	92 Å²	92	67.8 Å²	67.8	48%	0.482	35%	0.348	S	S	.	.	S	Bend	trans	-70.4	-14.7	178.6	-58.9	177.4	0	0	0	114	L232 R258 F261 L262	L232-L325 HydrophobicContact CD2-CD1 4.09Å; R258-L325 HydrophobicContact CG-CD2 3.98Å; F261-L325 HydrophobicContact CD1-CD1 4.39Å; F261-L325 HydrophobicContact CD1-CD2 4.07Å; F261-L325 HydrophobicContact CD1-CG 4Å; F261-L325 HydrophobicContact CE1-CD1 4.13Å; F261-L325 HydrophobicContact CE1-CD2 4.38Å; F261-L325 HydrophobicContact CE1-CG 3.8Å; L262-L325 HydrophobicContact CD2-CD1 3.85Å
326	S	93.5	Very high	93.4	Very high	64 Å²	64	63.6 Å²	63.6	45%	0.448	33%	0.33	S	S	.	.	S	Bend	trans	-97.9	-28.4	-176.5	73.7	0	0	0	0	113.2	V293 G294 D324	V293-S326 PolarHBondContact N-OG 3.38Å; G294-S326 PolarHBondContact N-OG 3.24Å; D324-S326 VanDerWaalsContact CG-OG 3.24Å; D324-S326 PolarHBondContact O-N 3.5Å; D324-S326 VanDerWaalsContact OD1-CA 3.31Å; D324-S326 WeakPolarHBondContact OD1-CA 3.33Å; D324-S326 WeakPolarHBondContact OD1-CB 3.28Å; D324-S326 PolarHBondContact OD1-N 2.88Å; D324-S326 PolarHBondContact OD1-OG 2.96Å; D324-S326 PolarHBondContact OD2-OG 2.89Å; D324-S326 VanDerWaalsContact OD2-OG 3.12Å
327	G	92.9	Very high	94	Very high	27 Å²	27	61.8 Å²	61.8	28%	0.278	33%	0.329	S	S	.	.			trans	167.5	-156.8	179.4	0	0	0	0	0	113.6	E323 D324	E323-G327 WeakPolarHBondContact CA-O 3.3Å; D324-G327 PolarHBondContact N-O 3.24Å; D324-G327 PolarHBondContact OD1-N 3.24Å
328	H	94.6	Very high	94.5	Very high	103 Å²	103	56 Å²	56	48%	0.477	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.9	178.9	61.9	-88	0	0	0	110.8	L322 E323	L322-H328 VanDerWaalsContact O-CA 3.28Å; L322-H328 WeakPolarHBondContact O-CA 3.31Å; E323-H328 HydrophobicContact CG-CB 3.82Å
329	I	94.3	Very high	95	Very high	5 Å²	5	55 Å²	55	3%	0.026	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	143.4	175.3	-171.2	165.3	0	0	0	109.8	V293 L296 Y321 L322 V331 M358 L360	V293-I329 HydrophobicContact CG1-CB 3.74Å; V293-I329 HydrophobicContact CG1-CG2 3.74Å; V293-I329 HydrophobicContact CG2-CG2 4.29Å; L296-I329 HydrophobicContact CB-CD1 4.46Å; L296-I329 HydrophobicContact CD1-CD1 4.46Å; Y321-I329 CarbonylContact C-O 3.59Å; Y321-I329 VanDerWaalsContact CA-O 3.23Å; Y321-I329 WeakPolarHBondContact CA-O 3.42Å; L322-I329 HydrophobicContact CB-CG2 4.18Å; L322-I329 PolarHBondContact N-O 2.93Å; L322-I329 PolarHBondContact O-N 2.85Å; I329-V331 HydrophobicContact CG2-CG1 4.45Å; I329-M358 WeakPolarHBondContact CG1-O 2.96Å; I329-L360 HydrophobicContact CD1-CB 4.13Å; I329-L360 HydrophobicContact CG1-CB 4.42Å; I329-L360 HydrophobicContact CG2-CB 4.44Å; I329-L360 HydrophobicContact CG2-CD2 4.49Å
330	E	95.5	Very high	95.1	Very high	41 Å²	41	53.5 Å²	53.5	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.9	173.7	-171.4	165.2	139.7	0	0	109.2	K319 Y321 I359 L360	K319-E330 VanDerWaalsContact NZ-CD 3.33Å; K319-E330 IonicContact NZ-OE1 3.92Å; K319-E330 PolarHBondContact NZ-OE1 2.85Å; K319-E330 IonicContact NZ-OE2 3.82Å; K319-E330 PolarHBondContact NZ-OE2 3.39Å; Y321-E330 HydrophobicContact CD1-CB 4.05Å; Y321-E330 HydrophobicContact CE1-CB 3.62Å; Y321-E330 HydrophobicContact CE1-CG 4.06Å; Y321-E330 PolarHBondContact OH-OE2 2.8Å; E330-I359 HydrophobicContact CB-CG1 4.32Å; E330-I359 HydrophobicContact CG-CG1 4.5Å; E330-I359 WeakPolarHBondContact O-CA 3.23Å; E330-L360 PolarHBondContact O-N 2.86Å
331	V	95.5	Very high	95.1	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.9	178.9	-56.4	0	0	0	0	111.1	F320 L322 I329 L333 L360 V362	F320-V331 HydrophobicContact CB-CG2 3.48Å; F320-V331 VanDerWaalsContact CB-CG2 3.48Å; F320-V331 PolarHBondContact O-N 3.36Å; L322-V331 HydrophobicContact CB-CG1 3.55Å; I329-V331 HydrophobicContact CG2-CG1 4.45Å; V331-L333 HydrophobicContact CG2-CD2 4.24Å; V331-L333 HydrophobicContact CG2-CG 4.21Å; V331-L360 WeakPolarHBondContact CA-O 3.38Å; V331-L360 HydrophobicContact CG1-CB 4.16Å; V331-L360 HydrophobicContact CG1-CD2 4.18Å; V331-V362 HydrophobicContact CB-CG2 4.15Å
332	D	94.7	Very high	95.1	Very high	55 Å²	55	51.1 Å²	51.1	29%	0.294	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117.2	171.5	178.5	14.6	0	0	0	109.2	S334 I359 L360 H361 V362	D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 2.88Å; D332-S334 PolarHBondContact OD1-OG 3.4Å; D332-I359 HydrophobicContact CB-CG2 3.93Å; D332-L360 PolarHBondContact N-O 3.33Å; D332-H361 IonicContact OD2-CE1 3.49Å; D332-H361 IonicContact OD2-ND1 2.66Å; D332-H361 PolarHBondContact OD2-ND1 2.79Å; D332-V362 WeakPolarHBondContact O-CB 3.42Å; D332-V362 PolarHBondContact O-N 2.86Å
333	L	95.3	Very high	95.1	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.126	28%	0.281	C	S	.	.			trans	-103.3	4.5	-176.8	-60.3	175.1	0	0	0	112.6	I312 F320 V331 E335 A336 V362 I365 F560	I312-L333 HydrophobicContact CD1-CD1 3.96Å; F320-L333 HydrophobicContact CB-CD1 4.05Å; F320-L333 HydrophobicContact CD1-CD1 4.42Å; F320-L333 HydrophobicContact CD2-CD1 3.68Å; F320-L333 HydrophobicContact CE2-CD1 4.25Å; F320-L333 HydrophobicContact CG-CD1 3.77Å; V331-L333 HydrophobicContact CG2-CD2 4.24Å; V331-L333 HydrophobicContact CG2-CG 4.21Å; L333-E335 VanDerWaalsContact C-N 3.27Å; L333-E335 PolarHBondContact O-N 2.87Å; L333-A336 HydrophobicContact CB-CB 4.36Å; L333-A336 HydrophobicContact CD2-CB 4.29Å; L333-A336 WeakPolarHBondContact O-CB 3.49Å; L333-A336 PolarHBondContact O-N 2.74Å; L333-A336 VanDerWaalsContact O-N 3.15Å; L333-V362 HydrophobicContact CD2-CB 3.99Å; L333-V362 HydrophobicContact CD2-CG1 4.23Å; L333-V362 HydrophobicContact CD2-CG2 3.89Å; L333-I365 HydrophobicContact CD2-CD1 4.35Å; L333-F560 HydrophobicContact CD1-CD2 4.36Å; L333-F560 HydrophobicContact CD1-CE2 4.04Å
334	S	93.7	Very high	95.1	Very high	87 Å²	87	47.9 Å²	47.9	61%	0.608	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-33.8	-169.6	69.8	0	0	0	0	113.9	D332	D332-S334 WeakPolarHBondContact OD1-CB 3.37Å; D332-S334 PolarHBondContact OD1-N 2.88Å; D332-S334 PolarHBondContact OD1-OG 3.4Å
335	E	94.3	Very high	95	Very high	162 Å²	162	48.5 Å²	48.5	76%	0.757	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	11.4	179.9	-60.3	-63.1	149.6	0	0	112.4	L333	L333-E335 VanDerWaalsContact C-N 3.27Å; L333-E335 PolarHBondContact O-N 2.87Å
336	A	96.1	Very high	95.1	Very high	16 Å²	16	46.2 Å²	46.2	13%	0.132	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.2	133.2	-174.3	0	0	0	0	0	111.8	L333 F338 V362 I365	L333-A336 HydrophobicContact CB-CB 4.36Å; L333-A336 HydrophobicContact CD2-CB 4.29Å; L333-A336 WeakPolarHBondContact O-CB 3.49Å; L333-A336 PolarHBondContact O-N 2.74Å; L333-A336 VanDerWaalsContact O-N 3.15Å; A336-F338 HydrophobicContact CB-CE2 3.98Å; A336-F338 WeakPolarHBondContact O-CD2 3.37Å; A336-V362 WeakPolarHBondContact CA-O 3.43Å; A336-V362 HydrophobicContact CB-CB 4.08Å; A336-V362 HydrophobicContact CB-CG1 3.8Å; A336-I365 HydrophobicContact CB-CG2 4.39Å
337	T	96.2	Very high	95.2	Very high	84 Å²	84	43.1 Å²	43.1	52%	0.515	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.8	169.3	57.5	0	0	0	0	110.5	T363 A364 I365	T337-T363 PolarHBondContact N-O 3.45Å; T337-T363 PolarHBondContact OG1-O 3.36Å; T337-A364 CarbonylContact O-C 3.52Å; T337-A364 VanDerWaalsContact O-CA 3.32Å; T337-A364 WeakPolarHBondContact O-CA 3.37Å; T337-A364 WeakPolarHBondContact OG1-CA 3.42Å; T337-A364 WeakPolarHBondContact OG1-CB 3.37Å; T337-I365 PolarHBondContact O-N 3.42Å
338	F	96.1	Very high	95.5	Very high	47 Å²	47	42 Å²	42	21%	0.206	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.9	-176.4	-71.6	-104.9	0	0	0	111	A336 Y343 I365 F560 F561	A336-F338 HydrophobicContact CB-CE2 3.98Å; A336-F338 WeakPolarHBondContact O-CD2 3.37Å; F338-Y343 HydrophobicContact CB-CE2 4.17Å; F338-Y343 HydrophobicContact CD1-CD1 4.29Å; F338-Y343 AromaticContact CD1-CD2 3.66Å; F338-Y343 HydrophobicContact CD1-CD2 3.66Å; F338-Y343 HydrophobicContact CD1-CE1 4.3Å; F338-Y343 AromaticContact CD1-CE2 3.69Å; F338-Y343 HydrophobicContact CD1-CE2 3.69Å; F338-Y343 AromaticContact CD1-CG 3.96Å; F338-Y343 HydrophobicContact CD1-CG 3.96Å; F338-Y343 AromaticContact CD1-CZ 3.99Å; F338-Y343 HydrophobicContact CE1-CD1 4.46Å; F338-Y343 HydrophobicContact CE1-CD2 4.3Å; F338-Y343 HydrophobicContact CE1-CG 4.19Å; F338-Y343 HydrophobicContact CG-CE2 4.43Å; F338-I365 HydrophobicContact CB-CG2 4.17Å; F338-I365 HydrophobicContact CD1-CG2 3.24Å; F338-I365 HydrophobicContact CD2-CG2 3.92Å; F338-I365 HydrophobicContact CE1-CD1 4.3Å; F338-I365 HydrophobicContact CE1-CG2 3.44Å; F338-I365 VanDerWaalsContact CE1-CG2 3.44Å; F338-I365 HydrophobicContact CE2-CG2 4.07Å; F338-I365 HydrophobicContact CG-CG2 3.51Å; F338-I365 HydrophobicContact CZ-CG2 3.85Å; F338-F560 HydrophobicContact CE1-CD2 4.47Å; F338-F560 AromaticContact CE1-CE2 3.88Å; F338-F560 HydrophobicContact CE1-CE2 3.88Å; F338-F560 HydrophobicContact CZ-CE2 4.33Å; F338-F561 HydrophobicContact CB-CD1 3.78Å; F338-F561 HydrophobicContact CB-CD2 4.28Å; F338-F561 HydrophobicContact CB-CE1 3.41Å; F338-F561 VanDerWaalsContact CB-CE1 3.41Å; F338-F561 HydrophobicContact CB-CE2 3.96Å; F338-F561 HydrophobicContact CB-CG 4.2Å; F338-F561 HydrophobicContact CB-CZ 3.51Å; F338-F561 HydrophobicContact CD1-CB 3.73Å; F338-F561 AromaticContact CD1-CD1 3.64Å; F338-F561 HydrophobicContact CD1-CD1 3.64Å; F338-F561 AromaticContact CD1-CD2 3.85Å; F338-F561 HydrophobicContact CD1-CD2 3.85Å; F338-F561 HydrophobicContact CD1-CE1 4.19Å; F338-F561 HydrophobicContact CD1-CE2 4.37Å; F338-F561 AromaticContact CD1-CG 3.45Å; F338-F561 HydrophobicContact CD1-CG 3.45Å; F338-F561 VanDerWaalsContact CD1-CG 3.45Å; F338-F561 HydrophobicContact CD2-CD1 4.47Å; F338-F561 AromaticContact CD2-CD2 3.52Å; F338-F561 HydrophobicContact CD2-CD2 3.52Å; F338-F561 HydrophobicContact CD2-CE1 4.46Å; F338-F561 AromaticContact CD2-CE2 3.51Å; F338-F561 HydrophobicContact CD2-CE2 3.51Å; F338-F561 HydrophobicContact CD2-CG 4.02Å; F338-F561 HydrophobicContact CD2-CZ 4.01Å; F338-F561 HydrophobicContact CE1-CB 3.55Å; F338-F561 HydrophobicContact CE1-CD1 4.35Å; F338-F561 HydrophobicContact CE1-CD2 4.01Å; F338-F561 AromaticContact CE1-CG 3.72Å; F338-F561 HydrophobicContact CE1-CG 3.72Å; F338-F561 AromaticContact CE2-CD2 3.71Å; F338-F561 HydrophobicContact CE2-CD2 3.71Å; F338-F561 HydrophobicContact CE2-CE2 4.09Å; F338-F561 HydrophobicContact CE2-CG 4.27Å; F338-F561 HydrophobicContact CG-CB 4.38Å; F338-F561 AromaticContact CG-CD1 3.72Å; F338-F561 HydrophobicContact CG-CD1 3.72Å; F338-F561 AromaticContact CG-CD2 3.6Å; F338-F561 HydrophobicContact CG-CD2 3.6Å; F338-F561 AromaticContact CG-CE1 3.79Å; F338-F561 HydrophobicContact CG-CE1 3.79Å; F338-F561 AromaticContact CG-CE2 3.69Å; F338-F561 HydrophobicContact CG-CE2 3.69Å; F338-F561 AromaticContact CG-CG 3.62Å; F338-F561 HydrophobicContact CG-CG 3.62Å; F338-F561 AromaticContact CG-CZ 3.78Å; F338-F561 HydrophobicContact CG-CZ 3.78Å; F338-F561 HydrophobicContact CZ-CB 4.07Å; F338-F561 AromaticContact CZ-CD2 3.95Å; F338-F561 HydrophobicContact CZ-CD2 3.95Å; F338-F561 HydrophobicContact CZ-CG 4.13Å
339	Q	95.6	Very high	95.6	Very high	108 Å²	108	37.1 Å²	37.1	51%	0.505	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-72.8	166.6	168.7	-65	-63.3	-33	0	0	111.1	G341 Y343 I365	Q339-G341 PolarHBondContact O-N 2.9Å; Q339-Y343 PolarHBondContact N-OH 2.89Å; Q339-Y343 WeakPolarHBondContact O-CE2 3.4Å; Q339-Y343 PolarHBondContact O-OH 3.4Å; Q339-Y343 VanDerWaalsContact O-OH 3.09Å; Q339-I365 PolarHBondContact N-O 2.74Å
340	P	94.8	Very high	95.6	Very high	51 Å²	51	38.3 Å²	38.3	33%	0.331	21%	0.206	S	C	.	.	S	Bend	trans	-59.4	111.6	179.2	-27.3	36.5	0	0	0	113.4	K575	P340-K575 HydrophobicContact CB-CD 3.86Å
341	G	96.1	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-174.5	173.3	175.7	0	0	0	0	0	112.3	Q339 H572	Q339-G341 PolarHBondContact O-N 2.9Å; G341-H572 PolarHBondContact N-ND1 2.77Å; G341-H572 PolarHBondContact O-ND1 3.36Å
342	I	96.7	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.			trans	-109.9	108.3	165	-57.6	179	0	0	0	106.2	V344 M555 C559 P563 I569 H572 F573 T576	I342-V344 HydrophobicContact CG2-CG1 4.36Å; I342-M555 HydrophobicContact CG2-CB 4.1Å; I342-C559 HydrophobicContact CG2-CB 3.57Å; I342-P563 HydrophobicContact CG1-CG 4.3Å; I342-I569 HydrophobicContact CD1-CG2 4.48Å; I342-H572 HydrophobicContact CD1-CB 4.47Å; I342-H572 HydrophobicContact CG1-CB 3.85Å; I342-F573 HydrophobicContact CD1-CB 3.98Å; I342-T576 PolarHBondContact N-OG1 2.92Å; I342-T576 VanDerWaalsContact O-CG2 3.28Å; I342-T576 WeakPolarHBondContact O-CG2 3.46Å; I342-T576 PolarHBondContact O-OG1 2.81Å
343	Y	96.5	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.9	-172.1	-64.8	-103.5	0	0	0	110.7	F338 Q339 V349 I365 G366 F367 C559 F560 F561	F338-Y343 HydrophobicContact CB-CE2 4.17Å; F338-Y343 HydrophobicContact CD1-CD1 4.29Å; F338-Y343 AromaticContact CD1-CD2 3.66Å; F338-Y343 HydrophobicContact CD1-CD2 3.66Å; F338-Y343 HydrophobicContact CD1-CE1 4.3Å; F338-Y343 AromaticContact CD1-CE2 3.69Å; F338-Y343 HydrophobicContact CD1-CE2 3.69Å; F338-Y343 AromaticContact CD1-CG 3.96Å; F338-Y343 HydrophobicContact CD1-CG 3.96Å; F338-Y343 AromaticContact CD1-CZ 3.99Å; F338-Y343 HydrophobicContact CE1-CD1 4.46Å; F338-Y343 HydrophobicContact CE1-CD2 4.3Å; F338-Y343 HydrophobicContact CE1-CG 4.19Å; F338-Y343 HydrophobicContact CG-CE2 4.43Å; Q339-Y343 PolarHBondContact N-OH 2.89Å; Q339-Y343 WeakPolarHBondContact O-CE2 3.4Å; Q339-Y343 PolarHBondContact O-OH 3.4Å; Q339-Y343 VanDerWaalsContact O-OH 3.09Å; Y343-V349 HydrophobicContact CD1-CG1 4.03Å; Y343-V349 HydrophobicContact CE1-CG1 4.22Å; Y343-I365 HydrophobicContact CD1-CD1 4.15Å; Y343-I365 HydrophobicContact CD1-CG1 4.32Å; Y343-I365 HydrophobicContact CE1-CD1 4.15Å; Y343-I365 HydrophobicContact CE1-CG1 3.8Å; Y343-I365 HydrophobicContact CE1-CG2 4.49Å; Y343-I365 PolarHBondContact OH-O 2.74Å; Y343-G366 WeakPolarHBondContact OH-CA 3.17Å; Y343-F367 AromaticContact CD1-CE1 3.8Å; Y343-F367 HydrophobicContact CD1-CE1 3.8Å; Y343-F367 AromaticContact CD1-CZ 3.9Å; Y343-F367 HydrophobicContact CD1-CZ 3.9Å; Y343-F367 HydrophobicContact CD2-CZ 4.45Å; Y343-F367 HydrophobicContact CE1-CD1 4.21Å; Y343-F367 AromaticContact CE1-CE1 3.86Å; Y343-F367 HydrophobicContact CE1-CE1 3.86Å; Y343-F367 HydrophobicContact CE1-CE2 4.49Å; Y343-F367 HydrophobicContact CE1-CZ 4.01Å; Y343-F367 HydrophobicContact CG-CE1 4.47Å; Y343-F367 HydrophobicContact CG-CZ 4.15Å; Y343-C559 CarbonylContact O-C 3.54Å; Y343-C559 WeakPolarHBondContact O-CA 3.42Å; Y343-C559 WeakPolarHBondContact O-CB 3.48Å; Y343-F560 VanDerWaalsContact CB-CZ 3.46Å; Y343-F560 HydrophobicContact CD1-CZ 4.44Å; Y343-F560 HydrophobicContact CG-CZ 4.38Å; Y343-F560 VanDerWaalsContact O-CD1 3.32Å; Y343-F560 WeakPolarHBondContact O-CD1 3.41Å; Y343-F560 PolarHBondContact O-N 2.93Å; Y343-F561 HydrophobicContact CD2-CB 4.29Å; Y343-F561 AromaticContact CD2-CD1 3.93Å; Y343-F561 HydrophobicContact CD2-CD1 3.93Å; Y343-F561 HydrophobicContact CD2-CG 4.49Å; Y343-F561 HydrophobicContact CE2-CD1 4.34Å
344	V	95.2	Very high	95.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156.1	179.1	-64.3	0	0	0	0	109.6	I342 S347 M555 C559 P585 L586	I342-V344 HydrophobicContact CG2-CG1 4.36Å; V344-S347 VanDerWaalsContact CG2-OG 3.23Å; V344-S347 WeakPolarHBondContact CG2-OG 3.46Å; V344-S347 WeakPolarHBondContact O-CB 3.16Å; V344-S347 PolarHBondContact O-N 3.14Å; V344-S347 PolarHBondContact O-OG 2.8Å; V344-M555 HydrophobicContact CG1-CB 4.5Å; V344-C559 HydrophobicContact CG1-CB 3.92Å; V344-P585 WeakPolarHBondContact CG2-O 3.44Å; V344-L586 HydrophobicContact CB-CD2 4.1Å; V344-L586 HydrophobicContact CG1-CD2 3.9Å; V344-L586 HydrophobicContact CG2-CD2 4.15Å
345	E	94.4	Very high	95.1	Very high	44 Å²	44	34.9 Å²	34.9	21%	0.206	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	154.3	171.3	-71.4	172.5	-163.9	0	0	111.7	Q314 S347 P587	Q314-E345 HydrophobicContact CB-CG 4.42Å; Q314-E345 PolarHBondContact OE1-OE1 2.72Å; E345-S347 PolarHBondContact O-N 2.92Å; E345-P587 HydrophobicContact CB-CG 3.55Å
346	D	94.9	Very high	94.8	Very high	43 Å²	43	31 Å²	31	23%	0.23	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	12.6	-175.1	-58.2	-25.4	0	0	0	114.4	F257 V311 I312 P587	F257-D346 HydrophobicContact CE1-CB 4.08Å; V311-D346 HydrophobicContact CG1-CB 4.44Å; I312-D346 WeakPolarHBondContact O-CA 3.07Å; I312-D346 PolarHBondContact O-N 2.88Å; D346-P587 WeakPolarHBondContact OD2-CA 3.49Å
347	S	96.4	Very high	94.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.			trans	-79.5	138.1	174	-62.5	0	0	0	0	112	V311 I312 V344 E345 V349	V311-S347 WeakPolarHBondContact CA-O 3.5Å; I312-S347 PolarHBondContact N-O 2.97Å; V344-S347 VanDerWaalsContact CG2-OG 3.23Å; V344-S347 WeakPolarHBondContact CG2-OG 3.46Å; V344-S347 WeakPolarHBondContact O-CB 3.16Å; V344-S347 PolarHBondContact O-N 3.14Å; V344-S347 PolarHBondContact O-OG 2.8Å; E345-S347 PolarHBondContact O-N 2.92Å; S347-V349 PolarHBondContact O-N 2.83Å
348	V	97.9	Very high	93.9	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.4	167.2	-172.1	0	0	0	0	108.7	F261 V264 V309 G310 V311 P368 Q580	F261-V348 HydrophobicContact CD2-CG1 4.09Å; F261-V348 HydrophobicContact CD2-CG2 4.29Å; F261-V348 HydrophobicContact CE2-CG1 4.31Å; V264-V348 HydrophobicContact CB-CB 4.29Å; V264-V348 HydrophobicContact CB-CG1 4.19Å; V264-V348 HydrophobicContact CB-CG2 4.23Å; V264-V348 HydrophobicContact CG1-CB 4.14Å; V264-V348 HydrophobicContact CG1-CG1 3.93Å; V264-V348 HydrophobicContact CG2-CB 4.49Å; V264-V348 HydrophobicContact CG2-CG2 4.22Å; V309-V348 HydrophobicContact CG1-CG1 4Å; G310-V348 CarbonylContact O-C 3.6Å; G310-V348 WeakPolarHBondContact O-CA 3.39Å; V311-V348 HydrophobicContact CG2-CG2 4.26Å; V348-P368 HydrophobicContact CG1-CG 3.99Å; V348-P368 WeakPolarHBondContact O-CD 3.46Å; V348-Q580 PolarHBondContact O-NE2 3.44Å
349	V	97.5	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.8	-178.7	-62.4	0	0	0	0	110.8	V309 G310 I312 L322 Y343 S347 V351 I365 G366 F367	V309-V349 WeakPolarHBondContact CA-O 3.37Å; G310-V349 PolarHBondContact N-O 2.89Å; G310-V349 PolarHBondContact O-N 2.79Å; I312-V349 HydrophobicContact CB-CG2 4Å; I312-V349 HydrophobicContact CG2-CG1 4.14Å; I312-V349 HydrophobicContact CG2-CG2 4.46Å; L322-V349 HydrophobicContact CD1-CG2 3.57Å; Y343-V349 HydrophobicContact CD1-CG1 4.03Å; Y343-V349 HydrophobicContact CE1-CG1 4.22Å; S347-V349 PolarHBondContact O-N 2.83Å; V349-V351 HydrophobicContact CG2-CG1 4.21Å; V349-I365 HydrophobicContact CB-CD1 4.18Å; V349-I365 HydrophobicContact CB-CG1 4.15Å; V349-I365 HydrophobicContact CG1-CD1 4.21Å; V349-I365 HydrophobicContact CG1-CG1 4.44Å; V349-I365 HydrophobicContact CG2-CD1 4.2Å; V349-G366 WeakPolarHBondContact CA-O 3.34Å; V349-F367 HydrophobicContact CG1-CD1 4.16Å; V349-F367 HydrophobicContact CG1-CE1 4.09Å
350	M	95.3	Very high	93.6	Very high	29 Å²	29	32.8 Å²	32.8	14%	0.143	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130	164.9	-79.9	178.5	69.2	0	0	108.7	L268 F274 V307 V308 V309 I365 G366 P368	L268-M350 HydrophobicContact CD1-SD 4.46Å; L268-M350 HydrophobicContact CD2-CE 4.43Å; L268-M350 HydrophobicContact CD2-SD 3.74Å; F274-M350 HydrophobicContact CE1-CE 3.76Å; F274-M350 HydrophobicContact CE2-CE 4.17Å; F274-M350 HydrophobicContact CZ-CE 3.29Å; F274-M350 HydrophobicContact CZ-SD 4.34Å; V307-M350 HydrophobicContact CG1-CE 3.99Å; V308-M350 WeakPolarHBondContact O-CA 3.38Å; V309-M350 HydrophobicContact CG2-CG 3.7Å; M350-I365 WeakPolarHBondContact O-CA 3.37Å; M350-G366 PolarHBondContact N-O 2.8Å; M350-G366 PolarHBondContact O-N 3.23Å; M350-P368 HydrophobicContact CG-CG 4.08Å; M350-P368 HydrophobicContact SD-CB 4.34Å; M350-P368 HydrophobicContact SD-CG 4.45Å
351	V	95.7	Very high	93.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.8	175.3	-62.8	0	0	0	0	110.2	V307 V308 L322 V349 L360 V362 A364 I365	V307-V351 WeakPolarHBondContact CA-O 3.42Å; V308-V351 HydrophobicContact CB-CG2 3.87Å; V308-V351 HydrophobicContact CG2-CG2 4.49Å; V308-V351 PolarHBondContact N-O 3.22Å; V308-V351 PolarHBondContact O-N 2.66Å; L322-V351 HydrophobicContact CD2-CG2 3.55Å; V349-V351 HydrophobicContact CG2-CG1 4.21Å; V351-L360 HydrophobicContact CG2-CD2 3.66Å; V351-V362 HydrophobicContact CB-CG1 4.03Å; V351-V362 HydrophobicContact CB-CG2 4.12Å; V351-V362 HydrophobicContact CG1-CG1 4.05Å; V351-V362 HydrophobicContact CG1-CG2 4.13Å; V351-A364 WeakPolarHBondContact CA-O 3.18Å; V351-I365 HydrophobicContact CG1-CB 4.22Å; V351-I365 HydrophobicContact CG1-CD1 4.06Å; V351-I365 HydrophobicContact CG1-CG1 3.88Å
352	E	93.4	Very high	93.6	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.248	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.3	164.5	-174.4	174.5	-168.9	0	0	107.7	A306 T363 A364	A306-E352 WeakPolarHBondContact O-CA 3.32Å; E352-T363 PolarHBondContact O-N 2.91Å; E352-T363 PolarHBondContact O-OG1 2.79Å; E352-A364 HydrophobicContact CB-CB 4.32Å; E352-A364 PolarHBondContact N-O 2.66Å; E352-A364 PolarHBondContact O-N 2.77Å
353	G	93.1	Very high	93.5	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-167.8	-178.6	0	0	0	0	0	113.9	D305 A306 H361	D305-G353 PolarHBondContact N-O 2.72Å; A306-G353 PolarHBondContact N-O 2.86Å; A306-G353 PolarHBondContact O-N 3.16Å; G353-H361 CarbonylContact C-O 3.55Å; G353-H361 WeakPolarHBondContact CA-O 3.2Å
354	F	91.3	Very high	93.5	Very high	79 Å²	79	36.3 Å²	36.3	35%	0.346	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	145.1	174.9	63.3	-88.2	0	0	0	110.9	I302 L303 H356 H361 T363	I302-F354 HydrophobicContact CG2-CB 4.47Å; I302-F354 HydrophobicContact CG2-CD2 4.35Å; L303-F354 WeakPolarHBondContact O-CA 3.27Å; L303-F354 WeakPolarHBondContact O-CB 3.48Å; F354-H356 HydrophobicContact CD2-CB 4.3Å; F354-H356 HydrophobicContact CE2-CB 4.26Å; F354-H361 HydrophobicContact CD1-CB 4.21Å; F354-H361 HydrophobicContact CD2-CB 4.19Å; F354-H361 HydrophobicContact CE1-CB 3.75Å; F354-H361 HydrophobicContact CE2-CB 3.73Å; F354-H361 AromaticContact CE2-CD2 3.54Å; F354-H361 AromaticContact CE2-CG 3.79Å; F354-H361 HydrophobicContact CG-CB 4.41Å; F354-H361 HydrophobicContact CZ-CB 3.49Å; F354-H361 VanDerWaalsContact CZ-CB 3.49Å; F354-H361 AromaticContact CZ-CG 3.83Å; F354-H361 PolarHBondContact N-O 2.92Å; F354-H361 PolarHBondContact O-N 3Å; F354-T363 HydrophobicContact CD1-CG2 4.41Å
355	C	89.5	Confident	93.6	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.054	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	127.3	176.8	-168.7	0	0	0	0	109.6	L303 I359	L303-C355 HydrophobicContact CB-CB 4.27Å; L303-C355 PolarHBondContact O-N 3.17Å; C355-I359 WeakPolarHBondContact CA-O 3.45Å
356	H	87.9	Confident	93.7	Very high	81 Å²	81	34.8 Å²	34.8	38%	0.375	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	131.4	172.7	-175.8	56	0	0	0	109	F354 M358 I359	F354-H356 HydrophobicContact CD2-CB 4.3Å; F354-H356 HydrophobicContact CE2-CB 4.26Å; H356-M358 VanDerWaalsContact C-N 3.27Å; H356-M358 PolarHBondContact O-N 3.44Å; H356-I359 PolarHBondContact N-O 3.12Å; H356-I359 PolarHBondContact O-N 3.4Å
357	D	86.6	Confident	93.7	Very high	129 Å²	129	34.1 Å²	34.1	69%	0.69	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	42.1	179.1	-64.7	-12.4	0	0	0	114.5	I359	D357-I359 PolarHBondContact O-N 3.36Å
358	M	86.7	Confident	93.6	Very high	112 Å²	112	34.2 Å²	34.2	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	15.6	-178.2	-56.4	-68.4	-70.1	0	0	114.8	C297 I329 H356	C297-M358 HydrophobicContact CB-CE 3.81Å; I329-M358 WeakPolarHBondContact CG1-O 2.96Å; H356-M358 VanDerWaalsContact C-N 3.27Å; H356-M358 PolarHBondContact O-N 3.44Å
359	I	92.2	Very high	93.4	Very high	51 Å²	51	35.6 Å²	35.6	26%	0.262	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.7	172.5	-62.6	165.7	0	0	0	107.9	E330 D332 C355 H356 D357	E330-I359 HydrophobicContact CB-CG1 4.32Å; E330-I359 HydrophobicContact CG-CG1 4.5Å; E330-I359 WeakPolarHBondContact O-CA 3.23Å; D332-I359 HydrophobicContact CB-CG2 3.93Å; C355-I359 WeakPolarHBondContact CA-O 3.45Å; H356-I359 PolarHBondContact N-O 3.12Å; H356-I359 PolarHBondContact O-N 3.4Å; D357-I359 PolarHBondContact O-N 3.36Å
360	L	93.9	Very high	93.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	106.9	173.4	178.1	63.7	0	0	0	109	L296 V308 L322 I329 E330 V331 D332 V351 V362	L296-L360 HydrophobicContact CD1-CD1 4.48Å; L296-L360 HydrophobicContact CD1-CD2 4.41Å; V308-L360 HydrophobicContact CG2-CD2 4.15Å; L322-L360 HydrophobicContact CD2-CD2 4.23Å; I329-L360 HydrophobicContact CD1-CB 4.13Å; I329-L360 HydrophobicContact CG1-CB 4.42Å; I329-L360 HydrophobicContact CG2-CB 4.44Å; I329-L360 HydrophobicContact CG2-CD2 4.49Å; E330-L360 PolarHBondContact O-N 2.86Å; V331-L360 WeakPolarHBondContact CA-O 3.38Å; V331-L360 HydrophobicContact CG1-CB 4.16Å; V331-L360 HydrophobicContact CG1-CD2 4.18Å; D332-L360 PolarHBondContact N-O 3.33Å; V351-L360 HydrophobicContact CG2-CD2 3.66Å; L360-V362 HydrophobicContact CG-CG2 4.38Å; L360-V362 PolarHBondContact O-N 3.21Å
361	H	94.4	Very high	93.2	Very high	42 Å²	42	36.7 Å²	36.7	19%	0.194	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	109.9	174.2	-63.8	-84.6	0	0	0	109.3	D332 G353 F354	D332-H361 IonicContact OD2-CE1 3.49Å; D332-H361 IonicContact OD2-ND1 2.66Å; D332-H361 PolarHBondContact OD2-ND1 2.79Å; G353-H361 CarbonylContact C-O 3.55Å; G353-H361 WeakPolarHBondContact CA-O 3.2Å; F354-H361 HydrophobicContact CD1-CB 4.21Å; F354-H361 HydrophobicContact CD2-CB 4.19Å; F354-H361 HydrophobicContact CE1-CB 3.75Å; F354-H361 HydrophobicContact CE2-CB 3.73Å; F354-H361 AromaticContact CE2-CD2 3.54Å; F354-H361 AromaticContact CE2-CG 3.79Å; F354-H361 HydrophobicContact CG-CB 4.41Å; F354-H361 HydrophobicContact CZ-CB 3.49Å; F354-H361 VanDerWaalsContact CZ-CB 3.49Å; F354-H361 AromaticContact CZ-CG 3.83Å; F354-H361 PolarHBondContact N-O 2.92Å; F354-H361 PolarHBondContact O-N 3Å
362	V	95.8	Very high	93.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.4	-173.6	179.7	0	0	0	0	109.7	V331 D332 L333 A336 V351 L360 A364 I365	V331-V362 HydrophobicContact CB-CG2 4.15Å; D332-V362 WeakPolarHBondContact O-CB 3.42Å; D332-V362 PolarHBondContact O-N 2.86Å; L333-V362 HydrophobicContact CD2-CB 3.99Å; L333-V362 HydrophobicContact CD2-CG1 4.23Å; L333-V362 HydrophobicContact CD2-CG2 3.89Å; A336-V362 WeakPolarHBondContact CA-O 3.43Å; A336-V362 HydrophobicContact CB-CB 4.08Å; A336-V362 HydrophobicContact CB-CG1 3.8Å; V351-V362 HydrophobicContact CB-CG1 4.03Å; V351-V362 HydrophobicContact CB-CG2 4.12Å; V351-V362 HydrophobicContact CG1-CG1 4.05Å; V351-V362 HydrophobicContact CG1-CG2 4.13Å; L360-V362 HydrophobicContact CG-CG2 4.38Å; L360-V362 PolarHBondContact O-N 3.21Å; V362-A364 WeakPolarHBondContact CG1-O 3.48Å; V362-I365 HydrophobicContact CG1-CB 4.12Å
363	T	95.3	Very high	93.1	Very high	59 Å²	59	36 Å²	36	36%	0.362	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-35.4	173.9	55.2	0	0	0	0	111.4	T337 E352 F354	T337-T363 PolarHBondContact N-O 3.45Å; T337-T363 PolarHBondContact OG1-O 3.36Å; E352-T363 PolarHBondContact O-N 2.91Å; E352-T363 PolarHBondContact O-OG1 2.79Å; F354-T363 HydrophobicContact CD1-CG2 4.41Å
364	A	95.7	Very high	92.9	Very high	19 Å²	19	42.8 Å²	42.8	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.3	175.9	0	0	0	0	0	111.3	T337 V351 E352 V362	T337-A364 CarbonylContact O-C 3.52Å; T337-A364 VanDerWaalsContact O-CA 3.32Å; T337-A364 WeakPolarHBondContact O-CA 3.37Å; T337-A364 WeakPolarHBondContact OG1-CA 3.42Å; T337-A364 WeakPolarHBondContact OG1-CB 3.37Å; V351-A364 WeakPolarHBondContact CA-O 3.18Å; E352-A364 HydrophobicContact CB-CB 4.32Å; E352-A364 PolarHBondContact N-O 2.66Å; E352-A364 PolarHBondContact O-N 2.77Å; V362-A364 WeakPolarHBondContact CG1-O 3.48Å
365	I	97	Very high	92.9	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.6	177	-175.9	171	0	0	0	110.1	I312 L333 A336 T337 F338 Q339 Y343 V349 M350 V351 V362	I312-I365 HydrophobicContact CD1-CD1 4.12Å; L333-I365 HydrophobicContact CD2-CD1 4.35Å; A336-I365 HydrophobicContact CB-CG2 4.39Å; T337-I365 PolarHBondContact O-N 3.42Å; F338-I365 HydrophobicContact CB-CG2 4.17Å; F338-I365 HydrophobicContact CD1-CG2 3.24Å; F338-I365 HydrophobicContact CD2-CG2 3.92Å; F338-I365 HydrophobicContact CE1-CD1 4.3Å; F338-I365 HydrophobicContact CE1-CG2 3.44Å; F338-I365 VanDerWaalsContact CE1-CG2 3.44Å; F338-I365 HydrophobicContact CE2-CG2 4.07Å; F338-I365 HydrophobicContact CG-CG2 3.51Å; F338-I365 HydrophobicContact CZ-CG2 3.85Å; Q339-I365 PolarHBondContact N-O 2.74Å; Y343-I365 HydrophobicContact CD1-CD1 4.15Å; Y343-I365 HydrophobicContact CD1-CG1 4.32Å; Y343-I365 HydrophobicContact CE1-CD1 4.15Å; Y343-I365 HydrophobicContact CE1-CG1 3.8Å; Y343-I365 HydrophobicContact CE1-CG2 4.49Å; Y343-I365 PolarHBondContact OH-O 2.74Å; V349-I365 HydrophobicContact CB-CD1 4.18Å; V349-I365 HydrophobicContact CB-CG1 4.15Å; V349-I365 HydrophobicContact CG1-CD1 4.21Å; V349-I365 HydrophobicContact CG1-CG1 4.44Å; V349-I365 HydrophobicContact CG2-CD1 4.2Å; M350-I365 WeakPolarHBondContact O-CA 3.37Å; V351-I365 HydrophobicContact CG1-CB 4.22Å; V351-I365 HydrophobicContact CG1-CD1 4.06Å; V351-I365 HydrophobicContact CG1-CG1 3.88Å; V362-I365 HydrophobicContact CG1-CB 4.12Å
366	G	96.5	Very high	93	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	169.3	-177.4	0	0	0	0	0	111.4	Y343 V349 M350	Y343-G366 WeakPolarHBondContact OH-CA 3.17Å; V349-G366 WeakPolarHBondContact CA-O 3.34Å; M350-G366 PolarHBondContact N-O 2.8Å; M350-G366 PolarHBondContact O-N 3.23Å
367	F	96.6	Very high	92.9	Very high	29 Å²	29	41.4 Å²	41.4	13%	0.127	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-88.9	152.5	164.1	-62.8	-53.5	0	0	0	110.6	Y343 V349 T576 A579 Q580	Y343-F367 AromaticContact CD1-CE1 3.8Å; Y343-F367 HydrophobicContact CD1-CE1 3.8Å; Y343-F367 AromaticContact CD1-CZ 3.9Å; Y343-F367 HydrophobicContact CD1-CZ 3.9Å; Y343-F367 HydrophobicContact CD2-CZ 4.45Å; Y343-F367 HydrophobicContact CE1-CD1 4.21Å; Y343-F367 AromaticContact CE1-CE1 3.86Å; Y343-F367 HydrophobicContact CE1-CE1 3.86Å; Y343-F367 HydrophobicContact CE1-CE2 4.49Å; Y343-F367 HydrophobicContact CE1-CZ 4.01Å; Y343-F367 HydrophobicContact CG-CE1 4.47Å; Y343-F367 HydrophobicContact CG-CZ 4.15Å; V349-F367 HydrophobicContact CG1-CD1 4.16Å; V349-F367 HydrophobicContact CG1-CE1 4.09Å; F367-T576 HydrophobicContact CE2-CG2 4Å; F367-T576 WeakPolarHBondContact CE2-OG1 3.48Å; F367-T576 HydrophobicContact CZ-CG2 3.82Å; F367-A579 HydrophobicContact CB-CB 3.5Å; F367-A579 HydrophobicContact CD2-CB 4.14Å; F367-A579 HydrophobicContact CG-CB 3.95Å; F367-Q580 VanDerWaalsContact CE1-NE2 3.35Å
368	P	94.2	Very high	92.8	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.013	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-50.9	148.3	165.2	-27.2	37	0	0	0	111.9	V264 L268 V309 V348 M350	V264-P368 HydrophobicContact CG1-CB 3.62Å; V264-P368 HydrophobicContact CG1-CG 3.55Å; L268-P368 HydrophobicContact CD1-CB 4.31Å; L268-P368 HydrophobicContact CD1-CG 4.49Å; L268-P368 HydrophobicContact CD2-CB 4.34Å; L268-P368 HydrophobicContact CG-CB 4.34Å; V309-P368 HydrophobicContact CG1-CG 4.44Å; V348-P368 HydrophobicContact CG1-CG 3.99Å; V348-P368 WeakPolarHBondContact O-CD 3.46Å; M350-P368 HydrophobicContact CG-CG 4.08Å; M350-P368 HydrophobicContact SD-CB 4.34Å; M350-P368 HydrophobicContact SD-CG 4.45Å
369	P	93.1	Very high	92.6	Very high	32 Å²	32	38.3 Å²	38.3	21%	0.208	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-60.6	143	-177.8	26.2	-32	0	0	0	111	L268 H271	L268-P369 HydrophobicContact CD2-CG 3.88Å; H271-P369 HydrophobicContact CB-CG 4.39Å; H271-P369 VanDerWaalsContact CD2-CG 3.43Å; H271-P369 WeakPolarHBondContact CD2-CG 3.07Å
370	I	95.7	Very high	92	Very high	42 Å²	42	36.4 Å²	36.4	22%	0.215	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-81	129.4	176	-59.3	165.2	0	0	0	107.7	L578 A579 L606 I623 A624	I370-L578 HydrophobicContact CD1-CB 3.91Å; I370-L578 HydrophobicContact CD1-CD1 4.45Å; I370-L578 HydrophobicContact CG1-CB 4.15Å; I370-L578 HydrophobicContact CG2-CB 3.89Å; I370-L578 HydrophobicContact CG2-CD1 4.25Å; I370-A579 HydrophobicContact CD1-CB 4.36Å; I370-A579 HydrophobicContact CG1-CB 3.9Å; I370-L606 HydrophobicContact CG2-CD1 3.76Å; I370-I623 HydrophobicContact CD1-CG2 3.78Å; I370-A624 HydrophobicContact CG2-CB 3.73Å
371	E	93.3	Very high	90.7	Very high	11 Å²	11	41.7 Å²	41.7	5%	0.051	24%	0.235	C	C	.	.			trans	-104.7	130.4	179.6	-177.8	-175.9	98	0	0	109.1	R267 Q375 S376 H379 Y604 L606	R267-E371 HydrophobicContact CG-CB 4.18Å; E371-Q375 HydrophobicContact CG-CB 3.53Å; E371-S376 WeakPolarHBondContact OE1-CA 3.48Å; E371-S376 VanDerWaalsContact OE1-CB 3.24Å; E371-S376 WeakPolarHBondContact OE1-CB 3.28Å; E371-S376 PolarHBondContact OE1-N 3.45Å; E371-S376 PolarHBondContact OE1-OG 3.36Å; E371-H379 IonicContact OE2-CD2 2.71Å; E371-Y604 WeakPolarHBondContact OE1-CE2 3.49Å; E371-Y604 PolarHBondContact OE1-OH 3.39Å; E371-L606 WeakPolarHBondContact O-CD1 3.39Å; E371-L606 WeakPolarHBondContact O-CG 3.4Å
372	S	94.3	Very high	89.3	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.049	26%	0.263	C	S	.	.			trans	-72.6	160.7	176.1	77.8	0	0	0	0	111.6	E374 Q375 S376 A624	S372-E374 PolarHBondContact O-N 3.5Å; S372-Q375 PolarHBondContact O-N 2.85Å; S372-Q375 WeakPolarHBondContact OG-CG 3.36Å; S372-Q375 PolarHBondContact OG-N 3.12Å; S372-S376 PolarHBondContact O-N 3.45Å; S372-S376 PolarHBondContact O-OG 3.42Å; S372-A624 VanDerWaalsContact CB-O 3.3Å; S372-A624 WeakPolarHBondContact CB-O 3.31Å
373	A	91.9	Very high	88	Confident	35 Å²	35	47.1 Å²	47.1	29%	0.289	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-33.3	176.3	0	0	0	0	0	112.7	S376 S377 L606	A373-S376 PolarHBondContact O-N 3.35Å; A373-S377 WeakPolarHBondContact O-CB 3.47Å; A373-S377 PolarHBondContact O-N 3.07Å; A373-S377 PolarHBondContact O-OG 3.21Å; A373-L606 WeakPolarHBondContact CB-O 3.4Å
374	E	89.7	Confident	86.4	Confident	144 Å²	144	46.7 Å²	46.7	67%	0.673	26%	0.263	S	S	*	.	H	α-helix	trans	-64.5	-47.1	176	-175	176.4	-177.8	0	0	111.2	S372 S376 S377 V378	S372-E374 PolarHBondContact O-N 3.5Å; E374-S376 PolarHBondContact O-N 2.77Å; E374-S377 WeakPolarHBondContact O-CB 3.49Å; E374-S377 PolarHBondContact O-N 3Å; E374-S377 VanDerWaalsContact O-N 3.16Å; E374-V378 PolarHBondContact O-N 3.35Å
375	Q	91	Very high	84.6	Confident	95 Å²	95	48.1 Å²	48.1	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-60.7	-46.6	175.5	-68.3	172.5	-44.6	0	0	111.2	E371 S372 S377 V378 H379	E371-Q375 HydrophobicContact CG-CB 3.53Å; S372-Q375 PolarHBondContact O-N 2.85Å; S372-Q375 WeakPolarHBondContact OG-CG 3.36Å; S372-Q375 PolarHBondContact OG-N 3.12Å; Q375-S377 PolarHBondContact O-N 3.4Å; Q375-V378 WeakPolarHBondContact O-CB 3.25Å; Q375-V378 PolarHBondContact O-N 2.88Å; Q375-V378 VanDerWaalsContact O-N 3.13Å; Q375-H379 PolarHBondContact O-CD2 3.37Å; Q375-H379 PolarHBondContact O-N 2.82Å
376	S	90.8	Very high	82.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-37.9	175.1	-56.7	0	0	0	0	112.7	E371 S372 A373 E374 V378 H379 H380 Y604	E371-S376 WeakPolarHBondContact OE1-CA 3.48Å; E371-S376 VanDerWaalsContact OE1-CB 3.24Å; E371-S376 WeakPolarHBondContact OE1-CB 3.28Å; E371-S376 PolarHBondContact OE1-N 3.45Å; E371-S376 PolarHBondContact OE1-OG 3.36Å; S372-S376 PolarHBondContact O-N 3.45Å; S372-S376 PolarHBondContact O-OG 3.42Å; A373-S376 PolarHBondContact O-N 3.35Å; E374-S376 PolarHBondContact O-N 2.77Å; S376-V378 VanDerWaalsContact C-N 3.33Å; S376-V378 PolarHBondContact O-N 2.7Å; S376-H379 PolarHBondContact O-N 3.12Å; S376-H380 PolarHBondContact O-N 3.25Å; S376-Y604 WeakPolarHBondContact CB-OH 3.48Å; S376-Y604 WeakPolarHBondContact OG-CE2 3.27Å; S376-Y604 PolarHBondContact OG-OH 3.27Å
377	S	86	Confident	80.2	Confident	43 Å²	43	51.2 Å²	51.2	30%	0.301	29%	0.286	S	S	.	.	H	α-helix	trans	-65.9	-34.6	179.2	-56.8	0	0	0	0	113	A373 E374 Q375 V381 F385	A373-S377 WeakPolarHBondContact O-CB 3.47Å; A373-S377 PolarHBondContact O-N 3.07Å; A373-S377 PolarHBondContact O-OG 3.21Å; E374-S377 WeakPolarHBondContact O-CB 3.49Å; E374-S377 PolarHBondContact O-N 3Å; E374-S377 VanDerWaalsContact O-N 3.16Å; Q375-S377 PolarHBondContact O-N 3.4Å; S377-V381 WeakPolarHBondContact O-CG2 3.37Å; S377-V381 PolarHBondContact O-N 3.32Å; S377-F385 VanDerWaalsContact CA-CZ 3.46Å; S377-F385 WeakPolarHBondContact OG-CE1 3.47Å; S377-F385 WeakPolarHBondContact OG-CZ 3.36Å
378	V	85.6	Confident	78.4	Confident	104 Å²	104	51.1 Å²	51.1	63%	0.63	29%	0.285	S	S	*	.	H	α-helix	trans	-67.3	-43.2	174.7	176.2	0	0	0	0	110.6	E374 Q375 S376	E374-V378 PolarHBondContact O-N 3.35Å; Q375-V378 WeakPolarHBondContact O-CB 3.25Å; Q375-V378 PolarHBondContact O-N 2.88Å; Q375-V378 VanDerWaalsContact O-N 3.13Å; S376-V378 VanDerWaalsContact C-N 3.33Å; S376-V378 PolarHBondContact O-N 2.7Å
379	H	81.3	Confident	76.8	Confident	72 Å²	72	57.6 Å²	57.6	33%	0.333	33%	0.325	S	S	.	.	H	α-helix	trans	-76.9	-35.1	-176.3	-56.4	-39.1	0	0	0	112.8	H270 E371 Q375 S376	H270-H379 AromaticContact CG-CD2 3.83Å; H270-H379 AromaticContact CG-CG 3.66Å; H270-H379 AromaticContact CG-ND1 3.96Å; H270-H379 AromaticContact ND1-CG 3.9Å; E371-H379 IonicContact OE2-CD2 2.71Å; Q375-H379 PolarHBondContact O-CD2 3.37Å; Q375-H379 PolarHBondContact O-N 2.82Å; S376-H379 PolarHBondContact O-N 3.12Å
380	H	80.7	Confident	75.6	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.051	33%	0.334	C	S	.	.			trans	-127.8	58.2	-171.9	-58.2	-70.1	0	0	0	112.9	F237 Q266 H270 S376 N382 L383 Y604	F237-H380 HydrophobicContact CD2-CB 4.4Å; F237-H380 AromaticContact CD2-CE1 3.73Å; F237-H380 AromaticContact CD2-CG 3.74Å; F237-H380 AromaticContact CD2-ND1 3.51Å; F237-H380 AromaticContact CE2-CD2 3.8Å; F237-H380 AromaticContact CE2-CE1 3.71Å; F237-H380 AromaticContact CE2-CG 3.95Å; F237-H380 AromaticContact CE2-ND1 3.9Å; F237-H380 AromaticContact CE2-NE2 3.61Å; Q266-H380 PolarHBondContact OE1-NE2 3.36Å; H270-H380 AromaticContact CE1-CE1 3.69Å; H270-H380 AromaticContact CE1-NE2 3.49Å; H270-H380 PolarHBondContact CE1-NE2 2.86Å; H270-H380 AromaticContact ND1-NE2 3.99Å; S376-H380 PolarHBondContact O-N 3.25Å; H380-N382 PolarHBondContact O-N 2.79Å; H380-L383 HydrophobicContact CB-CB 3.99Å; H380-L383 WeakPolarHBondContact O-CB 3.36Å; H380-L383 PolarHBondContact O-N 2.91Å; H380-Y604 PolarHBondContact CD2-OH 2.92Å
381	V	65.4	Low	74.4	Confident	112 Å²	112	60.9 Å²	60.9	68%	0.679	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.4	179.9	-174.8	0	0	0	0	113.6	S377	S377-V381 WeakPolarHBondContact O-CG2 3.37Å; S377-V381 PolarHBondContact O-N 3.32Å
382	N	64.9	Low	73.8	Confident	146 Å²	146	60.4 Å²	60.4	78%	0.781	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.1	-178.8	-67.1	-32.6	0	0	0	114.2	H380 P384	H380-N382 PolarHBondContact O-N 2.79Å; N382-P384 WeakPolarHBondContact O-CD 3.41Å
383	L	69.8	Low	73	Confident	14 Å²	14	63.1 Å²	63.1	7%	0.073	36%	0.357	C	S	.	.	S	Bend	trans	-71	116.9	172.6	-170.6	76.2	0	0	0	106.7	Y228 F237 H380 F385 Y604 P605	Y228-L383 HydrophobicContact CD1-CD1 3.7Å; Y228-L383 HydrophobicContact CD2-CD1 4.11Å; Y228-L383 HydrophobicContact CE1-CD1 4.35Å; Y228-L383 HydrophobicContact CG-CD1 3.6Å; F237-L383 HydrophobicContact CB-CD1 3.53Å; F237-L383 HydrophobicContact CD1-CD1 4.28Å; F237-L383 HydrophobicContact CD2-CD1 4.29Å; F237-L383 HydrophobicContact CG-CD1 3.79Å; H380-L383 HydrophobicContact CB-CB 3.99Å; H380-L383 WeakPolarHBondContact O-CB 3.36Å; H380-L383 PolarHBondContact O-N 2.91Å; L383-F385 VanDerWaalsContact C-N 3.34Å; L383-F385 WeakPolarHBondContact O-CD2 3.36Å; L383-F385 WeakPolarHBondContact O-CE2 3.4Å; L383-F385 PolarHBondContact O-N 3.02Å; L383-Y604 HydrophobicContact CD2-CD1 4.26Å; L383-Y604 HydrophobicContact CD2-CE1 4.09Å; L383-P605 HydrophobicContact CD2-CG 3.69Å
384	P	61.4	Low	72.2	Confident	49 Å²	49	67.7 Å²	67.7	32%	0.318	37%	0.372	S	S	.	.			trans	-69.9	97	179.9	25.9	-30.2	0	0	0	109.2	Y228 N382 S386 S387	Y228-P384 HydrophobicContact CE1-CG 3.89Å; Y228-P384 HydrophobicContact CE2-CG 4Å; Y228-P384 WeakPolarHBondContact OH-CG 3.35Å; N382-P384 WeakPolarHBondContact O-CD 3.41Å; P384-S386 PolarHBondContact O-N 2.91Å; P384-S387 WeakPolarHBondContact CB-OG 3.38Å; P384-S387 WeakPolarHBondContact CG-OG 3.4Å; P384-S387 PolarHBondContact O-OG 3.09Å
385	F	58.1	Low	71.7	Confident	50 Å²	50	62.1 Å²	62.1	22%	0.219	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-28.8	161.6	-67.2	-86.9	0	0	0	111.3	S377 L383 P605	S377-F385 VanDerWaalsContact CA-CZ 3.46Å; S377-F385 WeakPolarHBondContact OG-CE1 3.47Å; S377-F385 WeakPolarHBondContact OG-CZ 3.36Å; L383-F385 VanDerWaalsContact C-N 3.34Å; L383-F385 WeakPolarHBondContact O-CD2 3.36Å; L383-F385 WeakPolarHBondContact O-CE2 3.4Å; L383-F385 PolarHBondContact O-N 3.02Å; F385-P605 HydrophobicContact CD1-CB 4.44Å; F385-P605 HydrophobicContact CD1-CG 4.04Å; F385-P605 HydrophobicContact CE1-CB 3.8Å; F385-P605 HydrophobicContact CE1-CG 3.45Å; F385-P605 VanDerWaalsContact CE1-CG 3.45Å; F385-P605 HydrophobicContact CZ-CG 4.01Å
386	S	50	Low	71.3	Confident	35 Å²	35	60.1 Å²	60.1	25%	0.245	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	65.2	-171.4	165.6	0	0	0	0	110.3	P384 F388 N393 R538	P384-S386 PolarHBondContact O-N 2.91Å; S386-F388 PolarHBondContact O-N 3.32Å; S386-N393 VanDerWaalsContact OG-CG 3.24Å; S386-N393 PolarHBondContact OG-ND2 2.84Å; S386-N393 PolarHBondContact OG-OD1 3.44Å; S386-R538 PolarHBondContact OG-NH1 3.09Å
387	S	50	Low	70.8	Confident	43 Å²	43	64.3 Å²	64.3	30%	0.301	37%	0.365	S	S	.	.			trans	-81.6	3	174.6	-58.6	0	0	0	0	114.1	Y228 P384	Y228-S387 PolarHBondContact OH-OG 3.42Å; P384-S387 WeakPolarHBondContact CB-OG 3.38Å; P384-S387 WeakPolarHBondContact CG-OG 3.4Å; P384-S387 PolarHBondContact O-OG 3.09Å
388	F	59.8	Low	70.7	Confident	27 Å²	27	69.3 Å²	69.3	12%	0.118	38%	0.384	C	S	.	.	S	Bend	trans	-86.2	134.8	-169.4	-53.5	-73	0	0	0	111.5	I218 S220 S386 G390 N393	I218-F388 HydrophobicContact CD1-CB 3.74Å; I218-F388 HydrophobicContact CG2-CB 4.3Å; S220-F388 WeakPolarHBondContact OG-CD1 3.43Å; S220-F388 WeakPolarHBondContact OG-CE1 3.44Å; S386-F388 PolarHBondContact O-N 3.32Å; F388-G390 PolarHBondContact O-N 2.74Å; F388-N393 VanDerWaalsContact O-CG 3.23Å; F388-N393 PolarHBondContact O-ND2 3.24Å; F388-N393 PolarHBondContact O-OD1 2.76Å
389	T	59.9	Low	70.6	Confident	138 Å²	138	68.3 Å²	68.3	85%	0.847	37%	0.372	S	S	*	.			trans	-75	123.5	173.5	51.6	0	0	0	0	110.2
390	G	67.3	Low	71	Confident	38 Å²	38	64.9 Å²	64.9	39%	0.392	36%	0.356	S	S	.	.	S	Bend	trans	176.1	161.9	174.9	0	0	0	0	0	112.5	F388 M392 N393	F388-G390 PolarHBondContact O-N 2.74Å; G390-M392 PolarHBondContact O-N 3.23Å; G390-M392 VanDerWaalsContact O-N 3.16Å; G390-N393 PolarHBondContact O-N 3.46Å; G390-N393 VanDerWaalsContact O-N 3.16Å
391	K	71.8	Confident	71.4	Confident	105 Å²	105	66.2 Å²	66.2	46%	0.457	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-57	-29.2	177.1	-66.6	-177	-167.6	154.2	0	112.5	L211 D215 N393 E394 F395	L211-K391 HydrophobicContact CD2-CB 3.65Å; D215-K391 VanDerWaalsContact CG-NZ 3.28Å; D215-K391 IonicContact OD1-NZ 2.75Å; D215-K391 PolarHBondContact OD1-NZ 3.06Å; D215-K391 VanDerWaalsContact OD1-NZ 3.12Å; D215-K391 WeakPolarHBondContact OD2-CD 2.9Å; D215-K391 IonicContact OD2-NZ 3.64Å; D215-K391 PolarHBondContact OD2-NZ 2.59Å; K391-N393 PolarHBondContact O-N 2.93Å; K391-E394 WeakPolarHBondContact O-CB 3.45Å; K391-E394 WeakPolarHBondContact O-CG 3.46Å; K391-E394 PolarHBondContact O-N 3.46Å; K391-F395 WeakPolarHBondContact O-CD2 3.48Å; K391-F395 WeakPolarHBondContact O-CE2 3.4Å
392	M	81	Confident	72.4	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-56.8	-29.8	178.4	-167.2	-172.6	-68.8	0	0	113.7	L211 L216 G390 E394 F395 L400 R538 L540	L211-M392 HydrophobicContact CD1-CB 4.24Å; L211-M392 HydrophobicContact CD1-CG 4.1Å; L216-M392 WeakPolarHBondContact O-CE 3.25Å; G390-M392 PolarHBondContact O-N 3.23Å; G390-M392 VanDerWaalsContact O-N 3.16Å; M392-E394 PolarHBondContact O-N 3.36Å; M392-F395 PolarHBondContact O-N 2.95Å; M392-L400 HydrophobicContact CG-CD1 3.69Å; M392-L400 HydrophobicContact CG-CD2 3.46Å; M392-L400 VanDerWaalsContact CG-CD2 3.46Å; M392-L400 HydrophobicContact CG-CG 4.24Å; M392-L400 HydrophobicContact SD-CD1 4.27Å; M392-R538 HydrophobicContact SD-CG 4.08Å; M392-R538 PolarHBondContact SD-NE 3.35Å; M392-L540 HydrophobicContact CE-CD2 4.34Å; M392-L540 VanDerWaalsContact SD-CA 3.52Å
393	N	75.6	Confident	73.6	Confident	63 Å²	63	62.2 Å²	62.2	34%	0.337	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-70.9	-10.8	178.3	-72.8	14	0	0	0	114	S386 F388 G390 K391 F395 R538	S386-N393 VanDerWaalsContact OG-CG 3.24Å; S386-N393 PolarHBondContact OG-ND2 2.84Å; S386-N393 PolarHBondContact OG-OD1 3.44Å; F388-N393 VanDerWaalsContact O-CG 3.23Å; F388-N393 PolarHBondContact O-ND2 3.24Å; F388-N393 PolarHBondContact O-OD1 2.76Å; G390-N393 PolarHBondContact O-N 3.46Å; G390-N393 VanDerWaalsContact O-N 3.16Å; K391-N393 PolarHBondContact O-N 2.93Å; N393-F395 PolarHBondContact O-N 3.32Å; N393-R538 PolarHBondContact OD1-NH1 2.99Å
394	E	76.9	Confident	74.6	Confident	132 Å²	132	61.8 Å²	61.8	62%	0.617	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-76	-6.6	174.5	-58.9	-177	-175.2	0	0	112.4	K391 M392	K391-E394 WeakPolarHBondContact O-CB 3.45Å; K391-E394 WeakPolarHBondContact O-CG 3.46Å; K391-E394 PolarHBondContact O-N 3.46Å; M392-E394 PolarHBondContact O-N 3.36Å
395	F	79.2	Confident	75.9	Confident	26 Å²	26	63.5 Å²	63.5	11%	0.114	34%	0.343	C	S	.	.	S	Bend	trans	-112.4	148.9	-176.5	-59.6	-100.4	0	0	0	110.8	R209 L211 K391 M392 N393 Q399 L400 M403	R209-F395 HydrophobicContact CB-CE1 4.22Å; R209-F395 HydrophobicContact CB-CZ 4.03Å; R209-F395 VanDerWaalsContact O-CE1 3.31Å; R209-F395 WeakPolarHBondContact O-CE1 3.05Å; R209-F395 VanDerWaalsContact O-CZ 3.25Å; R209-F395 WeakPolarHBondContact O-CZ 3.13Å; L211-F395 HydrophobicContact CD1-CD2 3.96Å; L211-F395 HydrophobicContact CD1-CE2 3.94Å; L211-F395 HydrophobicContact CD1-CG 4.47Å; L211-F395 HydrophobicContact CD1-CZ 4.39Å; L211-F395 HydrophobicContact CD2-CD2 4.34Å; L211-F395 HydrophobicContact CD2-CE2 3.7Å; L211-F395 HydrophobicContact CD2-CZ 4.31Å; L211-F395 HydrophobicContact CG-CD2 4.23Å; L211-F395 HydrophobicContact CG-CE2 3.68Å; L211-F395 HydrophobicContact CG-CZ 3.93Å; K391-F395 WeakPolarHBondContact O-CD2 3.48Å; K391-F395 WeakPolarHBondContact O-CE2 3.4Å; M392-F395 PolarHBondContact O-N 2.95Å; N393-F395 PolarHBondContact O-N 3.32Å; F395-Q399 HydrophobicContact CB-CB 4.31Å; F395-Q399 HydrophobicContact CD1-CB 4.47Å; F395-L400 HydrophobicContact CB-CD2 3.72Å; F395-L400 HydrophobicContact CB-CG 3.93Å; F395-L400 HydrophobicContact CG-CD2 4.23Å; F395-M403 HydrophobicContact CD1-SD 4.44Å
396	S	80.9	Confident	77.3	Confident	53 Å²	53	66.7 Å²	66.7	37%	0.371	37%	0.367	S	S	.	.			trans	-76.2	156.9	171.4	73.7	0	0	0	0	111.4	Q398 Q399 L400	S396-Q398 PolarHBondContact O-N 2.84Å; S396-Q398 VanDerWaalsContact O-N 3.17Å; S396-Q399 WeakPolarHBondContact O-CB 3.25Å; S396-Q399 PolarHBondContact O-N 3.25Å; S396-Q399 WeakPolarHBondContact OG-CG 3.41Å; S396-Q399 PolarHBondContact OG-N 2.87Å; S396-Q399 PolarHBondContact OG-OE1 3.19Å; S396-L400 WeakPolarHBondContact O-CG 3.43Å; S396-L400 PolarHBondContact O-N 3.22Å
397	D	81.9	Confident	79.1	Confident	88 Å²	88	67.4 Å²	67.4	47%	0.471	37%	0.368	S	S	.	.	H	α-helix	trans	-59.6	-30.3	177.9	-63.1	-39.3	0	0	0	112.6	L400 S401 R538	D397-L400 PolarHBondContact O-N 2.83Å; D397-S401 VanDerWaalsContact O-CB 3.31Å; D397-S401 WeakPolarHBondContact O-CB 3.35Å; D397-S401 PolarHBondContact O-N 3.3Å; D397-S401 PolarHBondContact O-OG 3.36Å; D397-R538 IonicContact OD1-NH2 3.12Å
398	Q	82.9	Confident	80.9	Confident	149 Å²	149	71.8 Å²	71.8	70%	0.696	38%	0.384	S	S	*	.	H	α-helix	trans	-66	-42	173.4	-68.9	179.7	-9.5	0	0	112	S396 S401 Q402	S396-Q398 PolarHBondContact O-N 2.84Å; S396-Q398 VanDerWaalsContact O-N 3.17Å; Q398-S401 PolarHBondContact O-N 3.09Å; Q398-Q402 WeakPolarHBondContact O-CG 3.45Å; Q398-Q402 PolarHBondContact O-N 3.19Å
399	Q	84.7	Confident	82.3	Confident	82 Å²	82	72.9 Å²	72.9	38%	0.383	40%	0.395	S	S	.	.	H	α-helix	trans	-65.8	-44.7	176	-68.5	174.8	-67.1	0	0	110.7	F395 S396 S401 Q402 M403	F395-Q399 HydrophobicContact CB-CB 4.31Å; F395-Q399 HydrophobicContact CD1-CB 4.47Å; S396-Q399 WeakPolarHBondContact O-CB 3.25Å; S396-Q399 PolarHBondContact O-N 3.25Å; S396-Q399 WeakPolarHBondContact OG-CG 3.41Å; S396-Q399 PolarHBondContact OG-N 2.87Å; S396-Q399 PolarHBondContact OG-OE1 3.19Å; Q399-S401 VanDerWaalsContact C-N 3.34Å; Q399-S401 PolarHBondContact O-N 3.4Å; Q399-Q402 PolarHBondContact O-N 3.45Å; Q399-M403 VanDerWaalsContact O-CG 3.3Å; Q399-M403 WeakPolarHBondContact O-CG 3.29Å; Q399-M403 PolarHBondContact O-N 3.07Å
400	L	89.2	Confident	84	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-43.4	177.4	-65.2	178	0	0	0	111.5	L211 M392 F395 S396 D397 Q402 M403 E404 L540	L211-L400 HydrophobicContact CD1-CD2 3.79Å; M392-L400 HydrophobicContact CG-CD1 3.69Å; M392-L400 HydrophobicContact CG-CD2 3.46Å; M392-L400 VanDerWaalsContact CG-CD2 3.46Å; M392-L400 HydrophobicContact CG-CG 4.24Å; M392-L400 HydrophobicContact SD-CD1 4.27Å; F395-L400 HydrophobicContact CB-CD2 3.72Å; F395-L400 HydrophobicContact CB-CG 3.93Å; F395-L400 HydrophobicContact CG-CD2 4.23Å; S396-L400 WeakPolarHBondContact O-CG 3.43Å; S396-L400 PolarHBondContact O-N 3.22Å; D397-L400 PolarHBondContact O-N 2.83Å; L400-Q402 VanDerWaalsContact C-N 3.34Å; L400-Q402 PolarHBondContact O-N 3.41Å; L400-M403 HydrophobicContact CD2-SD 4.43Å; L400-M403 WeakPolarHBondContact O-CB 3.35Å; L400-M403 PolarHBondContact O-N 3.28Å; L400-M403 VanDerWaalsContact O-N 3.1Å; L400-E404 WeakPolarHBondContact O-CG 3.34Å; L400-E404 PolarHBondContact O-N 3.25Å; L400-L540 HydrophobicContact CB-CB 4.22Å; L400-L540 HydrophobicContact CD2-CD2 3.85Å
401	S	89.5	Confident	85.4	Confident	40 Å²	40	66 Å²	66	28%	0.28	34%	0.344	S	S	.	.	H	α-helix	trans	-64.1	-36.3	176.9	-54.5	0	0	0	0	112.6	D397 Q398 Q399 M403 E404 V405 S541	D397-S401 VanDerWaalsContact O-CB 3.31Å; D397-S401 WeakPolarHBondContact O-CB 3.35Å; D397-S401 PolarHBondContact O-N 3.3Å; D397-S401 PolarHBondContact O-OG 3.36Å; Q398-S401 PolarHBondContact O-N 3.09Å; Q399-S401 VanDerWaalsContact C-N 3.34Å; Q399-S401 PolarHBondContact O-N 3.4Å; S401-M403 VanDerWaalsContact C-N 3.33Å; S401-E404 WeakPolarHBondContact O-CB 3.28Å; S401-E404 PolarHBondContact O-N 2.97Å; S401-V405 PolarHBondContact O-N 3.34Å; S401-S541 WeakPolarHBondContact OG-CB 3.48Å; S401-S541 PolarHBondContact OG-OG 2.82Å
402	Q	86	Confident	86.7	Confident	132 Å²	132	61 Å²	61	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-65.1	-38.5	172.4	-72.4	172.2	9.9	0	0	111.7	Q398 Q399 L400 E404 V405 V406	Q398-Q402 WeakPolarHBondContact O-CG 3.45Å; Q398-Q402 PolarHBondContact O-N 3.19Å; Q399-Q402 PolarHBondContact O-N 3.45Å; L400-Q402 VanDerWaalsContact C-N 3.34Å; L400-Q402 PolarHBondContact O-N 3.41Å; Q402-E404 VanDerWaalsContact C-N 3.28Å; Q402-E404 PolarHBondContact O-N 2.99Å; Q402-V405 PolarHBondContact O-N 2.94Å; Q402-V406 WeakPolarHBondContact O-CG2 3.34Å; Q402-V406 PolarHBondContact O-N 3.46Å; Q402-V406 VanDerWaalsContact O-N 3.1Å
403	M	89.4	Confident	87.5	Confident	42 Å²	42	61 Å²	61	21%	0.207	32%	0.322	C	S	.	.	H	α-helix	trans	-66	-30.8	175.6	-64.9	172.9	73.5	0	0	112.2	L211 L216 F395 Q399 L400 S401 V406 N407 L540	L211-M403 HydrophobicContact CB-CE 3.66Å; L211-M403 HydrophobicContact CD1-CE 3.84Å; L211-M403 HydrophobicContact CD1-SD 4.17Å; L211-M403 HydrophobicContact CG-CE 3.97Å; L216-M403 HydrophobicContact CD2-CE 4.35Å; F395-M403 HydrophobicContact CD1-SD 4.44Å; Q399-M403 VanDerWaalsContact O-CG 3.3Å; Q399-M403 WeakPolarHBondContact O-CG 3.29Å; Q399-M403 PolarHBondContact O-N 3.07Å; L400-M403 HydrophobicContact CD2-SD 4.43Å; L400-M403 WeakPolarHBondContact O-CB 3.35Å; L400-M403 PolarHBondContact O-N 3.28Å; L400-M403 VanDerWaalsContact O-N 3.1Å; S401-M403 VanDerWaalsContact C-N 3.33Å; M403-V406 PolarHBondContact O-N 3.27Å; M403-N407 WeakPolarHBondContact O-CB 3.3Å; M403-N407 PolarHBondContact O-N 2.75Å; M403-N407 PolarHBondContact O-ND2 3.44Å; M403-N407 VanDerWaalsContact O-ND2 3.09Å; M403-L540 HydrophobicContact CB-CD1 3.89Å; M403-L540 HydrophobicContact CB-CD2 4.25Å; M403-L540 HydrophobicContact CE-CD2 4.45Å
404	E	91.5	Very high	88.6	Confident	5 Å²	5	58 Å²	58	2%	0.023	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-45.9	173.7	-68	171	172.2	0	0	111.6	L400 S401 Q402 V406 N407 Y539 L540 S541 Q542 S647 R649	L400-E404 WeakPolarHBondContact O-CG 3.34Å; L400-E404 PolarHBondContact O-N 3.25Å; S401-E404 WeakPolarHBondContact O-CB 3.28Å; S401-E404 PolarHBondContact O-N 2.97Å; Q402-E404 VanDerWaalsContact C-N 3.28Å; Q402-E404 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.32Å; E404-V406 PolarHBondContact O-N 3.38Å; E404-N407 CarbonylContact O-C 3.55Å; E404-N407 PolarHBondContact O-N 2.9Å; E404-Y539 HydrophobicContact CG-CD1 4.43Å; E404-Y539 HydrophobicContact CG-CE1 4.21Å; E404-Y539 VanDerWaalsContact OE1-O 3.12Å; E404-L540 HydrophobicContact CB-CD1 4.26Å; E404-L540 HydrophobicContact CG-CB 3.55Å; E404-L540 HydrophobicContact CG-CD1 3.49Å; E404-L540 VanDerWaalsContact CG-CD1 3.49Å; E404-L540 HydrophobicContact CG-CG 4.14Å; E404-L540 WeakPolarHBondContact OE1-CB 3.41Å; E404-S541 WeakPolarHBondContact OE1-CA 3.43Å; E404-S541 PolarHBondContact OE1-N 3.42Å; E404-S541 PolarHBondContact OE1-OG 3.04Å; E404-S541 PolarHBondContact OE2-OG 3.23Å; E404-Q542 WeakPolarHBondContact OE1-CG 3.1Å; E404-Q542 PolarHBondContact OE1-N 3.02Å; E404-Q542 PolarHBondContact OE2-NE2 2.88Å; E404-S647 VanDerWaalsContact O-CB 3.31Å; E404-S647 WeakPolarHBondContact O-CB 3.43Å; E404-R649 IonicContact OE2-NH2 3.65Å; E404-R649 PolarHBondContact OE2-NH2 2.99Å
405	V	89.2	Confident	89.7	Confident	84 Å²	84	51.7 Å²	51.7	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-63.4	-39.8	178.1	177.9	0	0	0	0	110.7	S401 Q402 N407 E408	S401-V405 PolarHBondContact O-N 3.34Å; Q402-V405 PolarHBondContact O-N 2.94Å; V405-N407 VanDerWaalsContact C-N 3.32Å; V405-N407 PolarHBondContact O-N 3.2Å; V405-E408 WeakPolarHBondContact O-CG 3.41Å
406	V	86	Confident	90.6	Very high	117 Å²	117	50.5 Å²	50.5	71%	0.709	27%	0.271	S	S	*	.	H	α-helix	trans	-67.7	-33.3	177	173.9	0	0	0	0	112	Q402 M403 E404 E408	Q402-V406 WeakPolarHBondContact O-CG2 3.34Å; Q402-V406 PolarHBondContact O-N 3.46Å; Q402-V406 VanDerWaalsContact O-N 3.1Å; M403-V406 PolarHBondContact O-N 3.27Å; E404-V406 VanDerWaalsContact C-N 3.32Å; E404-V406 PolarHBondContact O-N 3.38Å; V406-E408 PolarHBondContact O-N 2.81Å; V406-E408 VanDerWaalsContact O-N 3.09Å
407	N	87.5	Confident	91.4	Very high	51 Å²	51	48 Å²	48	27%	0.273	25%	0.253	S	S	.	.			trans	-86.5	52.7	179.4	-72.1	-37.9	0	0	0	112.3	M403 E404 V405 S409 T410 Y539	M403-N407 WeakPolarHBondContact O-CB 3.3Å; M403-N407 PolarHBondContact O-N 2.75Å; M403-N407 PolarHBondContact O-ND2 3.44Å; M403-N407 VanDerWaalsContact O-ND2 3.09Å; E404-N407 CarbonylContact O-C 3.55Å; E404-N407 PolarHBondContact O-N 2.9Å; V405-N407 VanDerWaalsContact C-N 3.32Å; V405-N407 PolarHBondContact O-N 3.2Å; N407-S409 PolarHBondContact O-N 3.4Å; N407-T410 PolarHBondContact O-N 3.11Å; N407-Y539 WeakPolarHBondContact CB-OH 3.46Å
408	E	87.8	Confident	92.1	Very high	135 Å²	135	43.8 Å²	43.8	63%	0.631	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-22.6	-175.2	-61.5	-174.1	168.9	0	0	114.6	V405 V406 S647	V405-E408 WeakPolarHBondContact O-CG 3.41Å; V406-E408 PolarHBondContact O-N 2.81Å; V406-E408 VanDerWaalsContact O-N 3.09Å; E408-S647 WeakPolarHBondContact CA-OG 3.37Å
409	S	89.5	Confident	92.8	Very high	50 Å²	50	37.3 Å²	37.3	35%	0.35	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.2	-173.8	-55.2	0	0	0	0	114.5	N407 R439 Q443	N407-S409 PolarHBondContact O-N 3.4Å; S409-R439 PolarHBondContact O-NH2 2.81Å; S409-Q443 VanDerWaalsContact CB-CD 3.4Å; S409-Q443 VanDerWaalsContact CB-CG 3.44Å; S409-Q443 PolarHBondContact OG-NE2 2.9Å
410	T	95.7	Very high	93.4	Very high	5 Å²	5	33.4 Å²	33.4	3%	0.031	18%	0.182	C	C	.	.			trans	-68.7	134.5	-178.4	-64.5	0	0	0	0	111.1	N407 F412 L444 F446 Y539 P646	N407-T410 PolarHBondContact O-N 3.11Å; T410-F412 HydrophobicContact CG2-CE2 4.22Å; T410-L444 WeakPolarHBondContact CA-O 3.36Å; T410-L444 HydrophobicContact CG2-CB 3.93Å; T410-F446 HydrophobicContact CG2-CD2 4.27Å; T410-F446 HydrophobicContact CG2-CE2 3.86Å; T410-Y539 WeakPolarHBondContact CB-OH 3.24Å; T410-Y539 HydrophobicContact CG2-CE1 4.41Å; T410-Y539 HydrophobicContact CG2-CE2 3.77Å; T410-Y539 PolarHBondContact OG1-OH 2.88Å; T410-P646 HydrophobicContact CG2-CG 4.28Å; T410-P646 WeakPolarHBondContact O-CD 3.47Å
411	L	97.5	Very high	93.6	Very high	26 Å²	26	35.4 Å²	35.4	14%	0.136	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.3	-179.6	-60	176.9	0	0	0	112.2	F436 L444 T445 F446 V643 I645	L411-F436 HydrophobicContact CD1-CE1 3.92Å; L411-L444 PolarHBondContact N-O 3.2Å; L411-L444 VanDerWaalsContact N-O 3.14Å; L411-T445 WeakPolarHBondContact O-CA 3.5Å; L411-F446 PolarHBondContact O-N 3.4Å; L411-V643 HydrophobicContact CB-CG1 4.23Å; L411-V643 HydrophobicContact CD1-CG1 4.44Å; L411-V643 HydrophobicContact CD2-CG1 3.94Å; L411-V643 HydrophobicContact CG-CG1 4.43Å; L411-I645 HydrophobicContact CD2-CB 4.34Å; L411-I645 HydrophobicContact CD2-CD1 4.3Å; L411-I645 HydrophobicContact CD2-CG1 3.71Å; L411-I645 HydrophobicContact CD2-CG2 4.28Å
412	F	98.6	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.4	166	-71	-101.2	0	0	0	109.8	T410 F414 F446 V448 I537 Y539 I544 V643 Y644 P646	T410-F412 HydrophobicContact CG2-CE2 4.22Å; F412-F414 HydrophobicContact CB-CD2 4.44Å; F412-F414 HydrophobicContact CB-CE2 3.69Å; F412-F414 HydrophobicContact CB-CZ 3.71Å; F412-F414 HydrophobicContact CD1-CZ 4.26Å; F412-F414 HydrophobicContact CG-CZ 4.26Å; F412-F446 CarbonylContact C-O 3.44Å; F412-F446 HydrophobicContact CB-CB 4.48Å; F412-F446 HydrophobicContact CD1-CB 3.42Å; F412-F446 VanDerWaalsContact CD1-CB 3.42Å; F412-F446 HydrophobicContact CD1-CD1 4.39Å; F412-F446 AromaticContact CD1-CD2 3.87Å; F412-F446 HydrophobicContact CD1-CD2 3.87Å; F412-F446 AromaticContact CD1-CG 3.66Å; F412-F446 HydrophobicContact CD1-CG 3.66Å; F412-F446 HydrophobicContact CD2-CD2 4.03Å; F412-F446 HydrophobicContact CE1-CB 3.7Å; F412-F446 AromaticContact CE1-CD1 3.78Å; F412-F446 HydrophobicContact CE1-CD1 3.78Å; F412-F446 AromaticContact CE1-CD2 3.53Å; F412-F446 HydrophobicContact CE1-CD2 3.53Å; F412-F446 HydrophobicContact CE1-CE1 4.24Å; F412-F446 HydrophobicContact CE1-CE2 4.05Å; F412-F446 AromaticContact CE1-CG 3.38Å; F412-F446 HydrophobicContact CE1-CG 3.38Å; F412-F446 HydrophobicContact CE1-CZ 4.38Å; F412-F446 AromaticContact CE2-CD2 3.71Å; F412-F446 HydrophobicContact CE2-CD2 3.71Å; F412-F446 AromaticContact CE2-CE2 3.9Å; F412-F446 HydrophobicContact CE2-CE2 3.9Å; F412-F446 HydrophobicContact CE2-CG 4.42Å; F412-F446 HydrophobicContact CG-CB 3.99Å; F412-F446 HydrophobicContact CG-CD2 4.09Å; F412-F446 HydrophobicContact CG-CG 4.27Å; F412-F446 HydrophobicContact CZ-CB 4.48Å; F412-F446 HydrophobicContact CZ-CD1 4.23Å; F412-F446 AromaticContact CZ-CD2 3.44Å; F412-F446 HydrophobicContact CZ-CD2 3.44Å; F412-F446 VanDerWaalsContact CZ-CD2 3.44Å; F412-F446 HydrophobicContact CZ-CE1 4.31Å; F412-F446 AromaticContact CZ-CE2 3.57Å; F412-F446 HydrophobicContact CZ-CE2 3.57Å; F412-F446 AromaticContact CZ-CG 3.81Å; F412-F446 HydrophobicContact CZ-CG 3.81Å; F412-F446 HydrophobicContact CZ-CZ 4.01Å; F412-V448 HydrophobicContact CD1-CG2 4.34Å; F412-I537 HydrophobicContact CE1-CD1 4.48Å; F412-I537 HydrophobicContact CE1-CG2 4.02Å; F412-I537 HydrophobicContact CZ-CG2 4.31Å; F412-Y539 HydrophobicContact CE2-CD2 4.27Å; F412-Y539 HydrophobicContact CE2-CG 4.13Å; F412-Y539 HydrophobicContact CZ-CD2 4.25Å; F412-Y539 HydrophobicContact CZ-CG 4.27Å; F412-I544 HydrophobicContact CD2-CD1 4.33Å; F412-I544 HydrophobicContact CE1-CD1 4.37Å; F412-I544 HydrophobicContact CE2-CD1 4.13Å; F412-I544 HydrophobicContact CZ-CD1 4.16Å; F412-V643 CarbonylContact O-C 3.56Å; F412-V643 VanDerWaalsContact O-CA 3.32Å; F412-V643 WeakPolarHBondContact O-CA 3.48Å; F412-Y644 HydrophobicContact CD2-CD1 4.27Å; F412-Y644 PolarHBondContact N-O 3.48Å; F412-Y644 PolarHBondContact O-N 3.36Å; F412-P646 HydrophobicContact CD2-CG 3.78Å; F412-P646 HydrophobicContact CE2-CG 3.74Å
413	V	98.7	Very high	94.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.5	177.8	-174.3	0	0	0	0	108	L415 L432 F436 T445 F446 F447 V448 F641 V643	V413-L415 HydrophobicContact CG1-CD1 4.38Å; V413-L415 HydrophobicContact CG1-CG 4.37Å; V413-L432 HydrophobicContact CG1-CD1 4.43Å; V413-F436 HydrophobicContact CG1-CE2 4.41Å; V413-F436 HydrophobicContact CG1-CZ 4.49Å; V413-F436 HydrophobicContact CG2-CD1 4.42Å; V413-F436 HydrophobicContact CG2-CE1 3.72Å; V413-F436 HydrophobicContact CG2-CE2 3.98Å; V413-F436 HydrophobicContact CG2-CZ 3.47Å; V413-F436 VanDerWaalsContact CG2-CZ 3.47Å; V413-T445 HydrophobicContact CG2-CG2 4.34Å; V413-F446 PolarHBondContact N-O 2.93Å; V413-F447 HydrophobicContact CB-CD1 3.71Å; V413-F447 HydrophobicContact CB-CE1 4.06Å; V413-F447 HydrophobicContact CG1-CD1 3.97Å; V413-F447 HydrophobicContact CG1-CE1 4.22Å; V413-F447 HydrophobicContact CG2-CD1 4.02Å; V413-F447 HydrophobicContact CG2-CE1 3.87Å; V413-V448 PolarHBondContact O-N 3.12Å; V413-F641 HydrophobicContact CG1-CD2 3.72Å; V413-F641 HydrophobicContact CG1-CE2 4.07Å; V413-V643 HydrophobicContact CG2-CG2 4.44Å
414	F	98.8	Very high	94.4	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.6	-178.6	-63.3	-74	0	0	0	111.1	F412 V448 I544 V546 L609 V611 P631 F641 Q642	F412-F414 HydrophobicContact CB-CD2 4.44Å; F412-F414 HydrophobicContact CB-CE2 3.69Å; F412-F414 HydrophobicContact CB-CZ 3.71Å; F412-F414 HydrophobicContact CD1-CZ 4.26Å; F412-F414 HydrophobicContact CG-CZ 4.26Å; F414-V448 HydrophobicContact CD1-CB 3.58Å; F414-V448 HydrophobicContact CD1-CG1 3.89Å; F414-V448 HydrophobicContact CD1-CG2 3.86Å; F414-V448 HydrophobicContact CE1-CB 3.89Å; F414-V448 HydrophobicContact CE1-CG1 4.13Å; F414-V448 HydrophobicContact CE1-CG2 3.66Å; F414-I544 HydrophobicContact CZ-CG2 4.04Å; F414-V546 HydrophobicContact CD1-CG2 4.45Å; F414-V546 HydrophobicContact CE1-CG2 3.81Å; F414-L609 HydrophobicContact CE2-CD2 4.05Å; F414-L609 HydrophobicContact CZ-CD2 4.29Å; F414-V611 HydrophobicContact CB-CG1 4.05Å; F414-V611 HydrophobicContact CD1-CB 4.3Å; F414-V611 HydrophobicContact CD1-CG1 3.86Å; F414-V611 HydrophobicContact CD1-CG2 4.05Å; F414-V611 HydrophobicContact CD2-CG1 4.31Å; F414-V611 HydrophobicContact CD2-CG2 4.14Å; F414-V611 HydrophobicContact CE1-CB 4.4Å; F414-V611 HydrophobicContact CE1-CG1 4.43Å; F414-V611 HydrophobicContact CE1-CG2 3.79Å; F414-V611 HydrophobicContact CE2-CG2 3.85Å; F414-V611 HydrophobicContact CG-CG1 3.82Å; F414-V611 HydrophobicContact CG-CG2 4.24Å; F414-V611 HydrophobicContact CZ-CG2 3.69Å; F414-P631 HydrophobicContact CB-CG 3.63Å; F414-F641 WeakPolarHBondContact O-CB 3.44Å; F414-Q642 PolarHBondContact N-O 3.49Å; F414-Q642 PolarHBondContact O-N 3.1Å
415	L	98.6	Very high	94.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	123.6	-178.1	-64.8	154.9	0	0	0	108.8	V413 V418 L429 L432 V448 F449 T450 F634 F641	V413-L415 HydrophobicContact CG1-CD1 4.38Å; V413-L415 HydrophobicContact CG1-CG 4.37Å; L415-V418 HydrophobicContact CB-CG2 3.74Å; L415-L429 HydrophobicContact CD1-CD2 4.32Å; L415-L432 HydrophobicContact CD1-CD1 4.43Å; L415-L432 HydrophobicContact CD2-CD1 3.92Å; L415-V448 PolarHBondContact N-O 3.24Å; L415-F449 HydrophobicContact CB-CD1 4.4Å; L415-F449 HydrophobicContact CD1-CD1 4Å; L415-F449 HydrophobicContact CD1-CD2 4.45Å; L415-F449 HydrophobicContact CD1-CE1 3.53Å; L415-F449 HydrophobicContact CD1-CE2 4.04Å; L415-F449 HydrophobicContact CD1-CG 4.42Å; L415-F449 HydrophobicContact CD1-CZ 3.53Å; L415-T450 PolarHBondContact O-N 2.74Å; L415-T450 PolarHBondContact O-OG1 3.02Å; L415-F634 HydrophobicContact CD2-CD2 3.32Å; L415-F634 HydrophobicContact CD2-CE2 3.56Å; L415-F634 HydrophobicContact CD2-CG 3.97Å; L415-F634 HydrophobicContact CD2-CZ 4.36Å; L415-F641 HydrophobicContact CD2-CB 3.54Å; L415-F641 HydrophobicContact CD2-CG 4.19Å; L415-F641 HydrophobicContact CG-CB 4.37Å
416	S	98.2	Very high	95	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-113.1	149.6	176	-173.1	0	0	0	0	112.5	T450 C613 G632 F634	S416-T450 VanDerWaalsContact CA-OG1 3.23Å; S416-T450 WeakPolarHBondContact CA-OG1 3.45Å; S416-T450 PolarHBondContact OG-OG1 3.45Å; S416-C613 VanDerWaalsContact OG-C 3.25Å; S416-C613 PolarHBondContact OG-O 3.44Å; S416-G632 WeakPolarHBondContact CB-O 3.43Å; S416-F634 VanDerWaalsContact O-CB 3.24Å; S416-F634 WeakPolarHBondContact O-CB 3.5Å; S416-F634 PolarHBondContact O-N 2.93Å
417	D	97.3	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	56.9	57.2	173.8	-155.3	49.6	0	0	0	112.1	H419 T450 G451 K615 S633 A635	D417-H419 PolarHBondContact O-N 3.35Å; D417-H419 IonicContact OD1-NE2 2.66Å; D417-H419 IonicContact OD2-NE2 2.64Å; D417-T450 PolarHBondContact N-O 3.33Å; D417-G451 PolarHBondContact N-O 3.37Å; D417-G451 VanDerWaalsContact N-O 3.16Å; D417-K615 HydrophobicContact CB-CG 4.28Å; D417-K615 WeakPolarHBondContact OD1-CE 3.47Å; D417-S633 WeakPolarHBondContact CB-OG 3.34Å; D417-S633 PolarHBondContact OD2-OG 3.44Å; D417-A635 WeakPolarHBondContact O-CB 3.45Å; D417-A635 PolarHBondContact O-N 3.45Å
418	V	97.8	Very high	95.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.			trans	-97.8	84.3	-170.6	-168.9	0	0	0	0	111.9	L415 L420 V425 L429 F449 E452 F453 F634	L415-V418 HydrophobicContact CB-CG2 3.74Å; V418-L420 HydrophobicContact CG1-CD2 4.02Å; V418-L420 PolarHBondContact O-N 3.27Å; V418-V425 HydrophobicContact CG1-CG1 3.9Å; V418-L429 HydrophobicContact CG1-CD1 3.78Å; V418-L429 HydrophobicContact CG1-CD2 4.35Å; V418-F449 HydrophobicContact CB-CD1 4.32Å; V418-F449 HydrophobicContact CG1-CD1 4.03Å; V418-F449 HydrophobicContact CG1-CE1 4.1Å; V418-F449 HydrophobicContact CG2-CD1 4.09Å; V418-E452 CarbonylContact C-O 3.57Å; V418-E452 VanDerWaalsContact C-O 3.26Å; V418-E452 PolarHBondContact N-O 3.49Å; V418-E452 VanDerWaalsContact N-O 3.13Å; V418-F453 WeakPolarHBondContact O-CA 3.42Å; V418-F634 HydrophobicContact CG1-CD1 4.4Å; V418-F634 HydrophobicContact CG2-CB 4.27Å
419	H	96.7	Very high	96.3	Very high	13 Å²	13	24 Å²	24	6%	0.06	13%	0.132	C	C	.	.			trans	-68.5	96.3	-179.3	-57.4	160.9	0	0	0	113.7	D417 D421 S422 V425 E452 A635	D417-H419 PolarHBondContact O-N 3.35Å; D417-H419 IonicContact OD1-NE2 2.66Å; D417-H419 IonicContact OD2-NE2 2.64Å; H419-D421 WeakPolarHBondContact CB-OD1 3.31Å; H419-D421 PolarHBondContact O-N 3.37Å; H419-S422 WeakPolarHBondContact O-CB 3.25Å; H419-S422 PolarHBondContact O-N 2.85Å; H419-S422 VanDerWaalsContact O-N 3.12Å; H419-V425 HydrophobicContact CB-CG2 4.42Å; H419-V425 WeakPolarHBondContact O-CB 3.43Å; H419-V425 WeakPolarHBondContact O-CG1 3.43Å; H419-E452 PolarHBondContact CD2-O 3.44Å; H419-A635 HydrophobicContact CB-CB 4.1Å; H419-A635 WeakPolarHBondContact ND1-CB 3.44Å
420	L	96.8	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.7	-177.4	-58.5	-179.2	0	0	0	114.3	V418 L426 L429 F453 F474 L477	V418-L420 HydrophobicContact CG1-CD2 4.02Å; V418-L420 PolarHBondContact O-N 3.27Å; L420-L426 WeakPolarHBondContact O-CD1 3.12Å; L420-L429 HydrophobicContact CD2-CD1 3.94Å; L420-F453 HydrophobicContact CD1-CB 4.39Å; L420-F453 HydrophobicContact CD1-CD1 4.08Å; L420-F453 HydrophobicContact CG-CB 4.49Å; L420-F453 HydrophobicContact CG-CD1 4.23Å; L420-F453 PolarHBondContact N-O 3.38Å; L420-F474 HydrophobicContact CD1-CD1 4.17Å; L420-F474 HydrophobicContact CD1-CD2 4.04Å; L420-F474 HydrophobicContact CD1-CE1 4.18Å; L420-F474 HydrophobicContact CD1-CE2 4.01Å; L420-F474 HydrophobicContact CD1-CG 4.1Å; L420-F474 HydrophobicContact CD1-CZ 4.08Å; L420-L477 HydrophobicContact CD1-CD2 4.16Å; L420-L477 HydrophobicContact CD2-CB 4.35Å; L420-L477 HydrophobicContact CD2-CD1 4.25Å; L420-L477 HydrophobicContact CD2-CD2 4.05Å; L420-L477 HydrophobicContact CD2-CG 4.45Å
421	D	94	Very high	96.5	Very high	43 Å²	43	23.9 Å²	23.9	23%	0.23	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.2	170.3	59.5	-28.7	0	0	0	113	H419 P423 L454 S455	H419-D421 WeakPolarHBondContact CB-OD1 3.31Å; H419-D421 PolarHBondContact O-N 3.37Å; D421-P423 WeakPolarHBondContact O-CD 3.25Å; D421-L454 HydrophobicContact CB-CD2 3.83Å; D421-L454 WeakPolarHBondContact OD1-CA 3.1Å; D421-S455 VanDerWaalsContact CG-N 3.34Å; D421-S455 PolarHBondContact OD1-N 3.4Å; D421-S455 PolarHBondContact OD1-OG 2.96Å; D421-S455 WeakPolarHBondContact OD2-CB 3.4Å; D421-S455 PolarHBondContact OD2-N 3.44Å; D421-S455 VanDerWaalsContact OD2-N 3.11Å; D421-S455 PolarHBondContact OD2-OG 3.27Å
422	S	95	Very high	96.4	Very high	25 Å²	25	23 Å²	23	18%	0.175	12%	0.122	C	C	.	.			trans	-80.1	122.8	176.1	174.8	0	0	0	0	111.7	H419 E424 V425 L426	H419-S422 WeakPolarHBondContact O-CB 3.25Å; H419-S422 PolarHBondContact O-N 2.85Å; H419-S422 VanDerWaalsContact O-N 3.12Å; S422-E424 VanDerWaalsContact C-N 3.28Å; S422-E424 PolarHBondContact O-N 3.27Å; S422-E424 PolarHBondContact OG-N 2.7Å; S422-V425 PolarHBondContact O-N 3.41Å; S422-V425 PolarHBondContact OG-N 2.55Å; S422-L426 PolarHBondContact O-N 2.98Å; S422-L426 VanDerWaalsContact O-N 3.12Å
423	P	93.8	Very high	96.4	Very high	102 Å²	102	23 Å²	23	66%	0.662	12%	0.122	S	C	*	.	H	α-helix	trans	-60.4	-35.9	174	-23.7	34.6	0	0	0	113.3	D421 L426 Q427	D421-P423 WeakPolarHBondContact O-CD 3.25Å; P423-L426 PolarHBondContact O-N 2.94Å; P423-Q427 WeakPolarHBondContact O-CB 3.29Å; P423-Q427 PolarHBondContact O-N 3.16Å
424	E	94	Very high	96.1	Very high	129 Å²	129	23.2 Å²	23.2	60%	0.603	13%	0.125	S	C	*	.	H	α-helix	trans	-66.6	-41.6	179.8	-62.2	175.4	-179.1	0	0	111.1	S422 Q427 A428 F639	S422-E424 VanDerWaalsContact C-N 3.28Å; S422-E424 PolarHBondContact O-N 3.27Å; S422-E424 PolarHBondContact OG-N 2.7Å; E424-Q427 PolarHBondContact O-N 3.36Å; E424-A428 WeakPolarHBondContact O-CB 3.46Å; E424-A428 PolarHBondContact O-N 2.97Å; E424-F639 HydrophobicContact CB-CZ 4.08Å
425	V	96.4	Very high	95.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-63.1	-44.7	174.6	171.7	0	0	0	0	110.6	V418 H419 S422 Q427 A428 L429 F634 A635 F639	V418-V425 HydrophobicContact CG1-CG1 3.9Å; H419-V425 HydrophobicContact CB-CG2 4.42Å; H419-V425 WeakPolarHBondContact O-CB 3.43Å; H419-V425 WeakPolarHBondContact O-CG1 3.43Å; S422-V425 PolarHBondContact O-N 3.41Å; S422-V425 PolarHBondContact OG-N 2.55Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 2.96Å; V425-A428 PolarHBondContact O-N 3.49Å; V425-L429 HydrophobicContact CG1-CD1 4Å; V425-L429 HydrophobicContact CG1-CG 4.34Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.45Å; V425-L429 PolarHBondContact O-N 3.2Å; V425-F634 HydrophobicContact CG1-CD1 4.05Å; V425-F634 HydrophobicContact CG1-CE1 4.03Å; V425-A635 HydrophobicContact CG2-CB 3.75Å; V425-F639 HydrophobicContact CG2-CE1 4.26Å
426	L	95.8	Very high	95.7	Very high	25 Å²	25	26.7 Å²	26.7	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-38.3	177.1	-73	169.8	0	0	0	112.6	L420 S422 P423 L429 H430 K476	L420-L426 WeakPolarHBondContact O-CD1 3.12Å; S422-L426 PolarHBondContact O-N 2.98Å; S422-L426 VanDerWaalsContact O-N 3.12Å; P423-L426 PolarHBondContact O-N 2.94Å; L426-L429 PolarHBondContact O-N 2.83Å; L426-H430 PolarHBondContact O-N 2.86Å; L426-K476 HydrophobicContact CD1-CB 3.8Å; L426-K476 HydrophobicContact CD1-CD 3.55Å; L426-K476 HydrophobicContact CD1-CG 4.3Å; L426-K476 HydrophobicContact CD2-CB 4.05Å
427	Q	94.1	Very high	95.5	Very high	82 Å²	82	28 Å²	28	38%	0.383	16%	0.164	S	C	.	.	H	α-helix	trans	-65.1	-42.7	174.1	-177.5	179.1	-0.9	0	0	111.5	P423 E424 V425 H430 C431 L661	P423-Q427 WeakPolarHBondContact O-CB 3.29Å; P423-Q427 PolarHBondContact O-N 3.16Å; E424-Q427 PolarHBondContact O-N 3.36Å; V425-Q427 VanDerWaalsContact C-N 3.33Å; V425-Q427 PolarHBondContact O-N 2.96Å; Q427-H430 WeakPolarHBondContact O-CB 3.26Å; Q427-H430 PolarHBondContact O-N 3.31Å; Q427-C431 PolarHBondContact O-N 3.44Å; Q427-L661 HydrophobicContact CG-CD2 4.4Å; Q427-L661 PolarHBondContact NE2-O 2.88Å
428	A	96.6	Very high	95.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-44	175.8	0	0	0	0	0	111.6	E424 V425 H430 C431 L432 F634 F639 I656 L661	E424-A428 WeakPolarHBondContact O-CB 3.46Å; E424-A428 PolarHBondContact O-N 2.97Å; V425-A428 PolarHBondContact O-N 3.49Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.49Å; A428-C431 WeakPolarHBondContact O-CB 3.39Å; A428-C431 PolarHBondContact O-N 3.25Å; A428-C431 VanDerWaalsContact O-N 3.16Å; A428-L432 PolarHBondContact O-N 3.19Å; A428-F634 HydrophobicContact CB-CE1 3.92Å; A428-F634 HydrophobicContact CB-CZ 3.78Å; A428-F639 HydrophobicContact CB-CB 4.16Å; A428-F639 HydrophobicContact CB-CD1 3.33Å; A428-F639 HydrophobicContact CB-CD2 4.12Å; A428-F639 HydrophobicContact CB-CE1 3.67Å; A428-F639 HydrophobicContact CB-CE2 4.4Å; A428-F639 HydrophobicContact CB-CG 3.58Å; A428-F639 HydrophobicContact CB-CZ 4.19Å; A428-I656 HydrophobicContact CB-CD1 4.1Å; A428-I656 WeakPolarHBondContact O-CD1 2.96Å; A428-L661 HydrophobicContact CB-CD2 3.95Å
429	L	97.5	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174.9	-68.8	174	0	0	0	112.3	L415 V418 L420 V425 L426 C431 L432 F433 F449 L477 F634	L415-L429 HydrophobicContact CD1-CD2 4.32Å; V418-L429 HydrophobicContact CG1-CD1 3.78Å; V418-L429 HydrophobicContact CG1-CD2 4.35Å; L420-L429 HydrophobicContact CD2-CD1 3.94Å; V425-L429 HydrophobicContact CG1-CD1 4Å; V425-L429 HydrophobicContact CG1-CG 4.34Å; V425-L429 VanDerWaalsContact O-CG 3.27Å; V425-L429 WeakPolarHBondContact O-CG 3.45Å; V425-L429 PolarHBondContact O-N 3.2Å; L426-L429 PolarHBondContact O-N 2.83Å; L429-C431 PolarHBondContact O-N 3.16Å; L429-L432 WeakPolarHBondContact O-CB 3.2Å; L429-L432 PolarHBondContact O-N 3.09Å; L429-F433 HydrophobicContact CB-CE2 4.01Å; L429-F433 HydrophobicContact CB-CZ 4.43Å; L429-F433 WeakPolarHBondContact O-CD2 3.37Å; L429-F433 VanDerWaalsContact O-CG 3.26Å; L429-F433 WeakPolarHBondContact O-CG 3.32Å; L429-F433 PolarHBondContact O-N 2.88Å; L429-F449 HydrophobicContact CD1-CE1 4.15Å; L429-F449 HydrophobicContact CD2-CE1 3.67Å; L429-F449 HydrophobicContact CD2-CZ 4.06Å; L429-L477 HydrophobicContact CB-CD1 4.49Å; L429-L477 HydrophobicContact CD1-CD1 3.66Å; L429-F634 HydrophobicContact CD2-CE1 3.79Å; L429-F634 HydrophobicContact CD2-CZ 3.88Å; L429-F634 HydrophobicContact CG-CE1 3.95Å; L429-F634 HydrophobicContact CG-CZ 4.31Å
430	H	94.6	Very high	94.7	Very high	43 Å²	43	40.3 Å²	40.3	20%	0.199	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-46.4	172.4	179.6	-73.3	0	0	0	111.7	L426 Q427 A428 L432 F433 A434 L483 F484 W664	L426-H430 PolarHBondContact O-N 2.86Å; Q427-H430 WeakPolarHBondContact O-CB 3.26Å; Q427-H430 PolarHBondContact O-N 3.31Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.49Å; H430-L432 VanDerWaalsContact C-N 3.32Å; H430-L432 PolarHBondContact O-N 3.48Å; H430-F433 PolarHBondContact O-N 3.13Å; H430-A434 WeakPolarHBondContact O-CB 3.41Å; H430-A434 PolarHBondContact O-N 3.19Å; H430-L483 WeakPolarHBondContact NE2-CD1 3.24Å; H430-F484 AromaticContact CE1-CZ 3.83Å; H430-F484 AromaticContact NE2-CZ 3.92Å; H430-W664 AromaticContact CE1-CE3 3.5Å; H430-W664 VanDerWaalsContact CE1-CE3 3.5Å; H430-W664 AromaticContact CE1-CZ3 3.56Å; H430-W664 AromaticContact ND1-CE3 3.83Å
431	C	94.8	Very high	94.2	Very high	11 Å²	11	43.4 Å²	43.4	7%	0.074	25%	0.245	C	C	.	.	H	α-helix	trans	-60.4	-42.1	175.7	-175.3	0	0	0	0	111.8	Q427 A428 L429 A434 G435 I656 L661 W664	Q427-C431 PolarHBondContact O-N 3.44Å; A428-C431 WeakPolarHBondContact O-CB 3.39Å; A428-C431 PolarHBondContact O-N 3.25Å; A428-C431 VanDerWaalsContact O-N 3.16Å; L429-C431 PolarHBondContact O-N 3.16Å; C431-A434 PolarHBondContact O-N 2.88Å; C431-G435 PolarHBondContact O-N 3.49Å; C431-G435 VanDerWaalsContact O-N 3.09Å; C431-I656 HydrophobicContact CB-CG2 4.15Å; C431-L661 HydrophobicContact CB-CD2 4.44Å; C431-W664 HydrophobicContact CB-CG 4.5Å
432	L	96.9	Very high	93.8	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-53.8	175.9	-176.3	142.5	0	0	0	110.9	V413 L415 A428 L429 H430 A434 G435 F436 F447 F634 F641 I656	V413-L432 HydrophobicContact CG1-CD1 4.43Å; L415-L432 HydrophobicContact CD1-CD1 4.43Å; L415-L432 HydrophobicContact CD2-CD1 3.92Å; A428-L432 PolarHBondContact O-N 3.19Å; L429-L432 WeakPolarHBondContact O-CB 3.2Å; L429-L432 PolarHBondContact O-N 3.09Å; H430-L432 VanDerWaalsContact C-N 3.32Å; H430-L432 PolarHBondContact O-N 3.48Å; L432-A434 VanDerWaalsContact C-N 3.25Å; L432-A434 PolarHBondContact O-N 3.33Å; L432-G435 PolarHBondContact O-N 3.23Å; L432-G435 VanDerWaalsContact O-N 3.09Å; L432-F436 HydrophobicContact CD2-CD2 4.11Å; L432-F436 HydrophobicContact CD2-CE2 4.37Å; L432-F436 HydrophobicContact CG-CD2 4.15Å; L432-F436 HydrophobicContact CG-CE2 4.14Å; L432-F436 VanDerWaalsContact O-CD2 3.31Å; L432-F436 WeakPolarHBondContact O-CD2 3.28Å; L432-F436 PolarHBondContact O-N 3.08Å; L432-F436 VanDerWaalsContact O-N 3.13Å; L432-F447 HydrophobicContact CD2-CD1 3.85Å; L432-F447 HydrophobicContact CD2-CE1 3.4Å; L432-F447 HydrophobicContact CD2-CZ 4.32Å; L432-F634 HydrophobicContact CD1-CE2 4.31Å; L432-F641 HydrophobicContact CD1-CD1 4.14Å; L432-F641 HydrophobicContact CD1-CD2 4.34Å; L432-F641 HydrophobicContact CD1-CE1 4.08Å; L432-F641 HydrophobicContact CD1-CE2 4.26Å; L432-F641 HydrophobicContact CD1-CG 4.27Å; L432-F641 HydrophobicContact CD1-CZ 4.12Å; L432-I656 HydrophobicContact CB-CD1 3.78Å; L432-I656 HydrophobicContact CD1-CD1 4.25Å
433	F	97.1	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.5	-37.8	178.7	-61.4	-41.4	0	0	0	112.4	L429 H430 G435 F436 A437 F447 F449 L477 V481 F484 L487 F493	L429-F433 HydrophobicContact CB-CE2 4.01Å; L429-F433 HydrophobicContact CB-CZ 4.43Å; L429-F433 WeakPolarHBondContact O-CD2 3.37Å; L429-F433 VanDerWaalsContact O-CG 3.26Å; L429-F433 WeakPolarHBondContact O-CG 3.32Å; L429-F433 PolarHBondContact O-N 2.88Å; H430-F433 PolarHBondContact O-N 3.13Å; F433-G435 VanDerWaalsContact C-N 3.33Å; F433-G435 PolarHBondContact O-N 3.49Å; F433-F436 CarbonylContact O-C 3.54Å; F433-F436 PolarHBondContact O-N 3.49Å; F433-A437 VanDerWaalsContact O-CB 3.22Å; F433-A437 WeakPolarHBondContact O-CB 3.41Å; F433-A437 PolarHBondContact O-N 3.38Å; F433-F447 HydrophobicContact CD1-CE1 4.28Å; F433-F447 HydrophobicContact CD1-CE2 4.47Å; F433-F447 HydrophobicContact CD1-CZ 4.15Å; F433-F447 HydrophobicContact CE1-CD1 4.31Å; F433-F447 HydrophobicContact CE1-CE1 4.34Å; F433-F447 HydrophobicContact CE1-CG 4.45Å; F433-F447 HydrophobicContact CE1-CZ 4.46Å; F433-F449 HydrophobicContact CE1-CE2 4.46Å; F433-F449 HydrophobicContact CE1-CZ 4.08Å; F433-F449 HydrophobicContact CZ-CE2 4.4Å; F433-F449 AromaticContact CZ-CZ 3.79Å; F433-F449 HydrophobicContact CZ-CZ 3.79Å; F433-L477 HydrophobicContact CE2-CD1 3.86Å; F433-L477 HydrophobicContact CZ-CD1 3.93Å; F433-V481 HydrophobicContact CD1-CG2 4.28Å; F433-V481 HydrophobicContact CD2-CG2 3.64Å; F433-V481 HydrophobicContact CE1-CG2 3.94Å; F433-V481 HydrophobicContact CE2-CB 4.48Å; F433-V481 HydrophobicContact CE2-CG2 3.24Å; F433-V481 HydrophobicContact CG-CG2 4.16Å; F433-V481 HydrophobicContact CZ-CG2 3.4Å; F433-V481 VanDerWaalsContact CZ-CG2 3.4Å; F433-F484 HydrophobicContact CB-CD2 3.7Å; F433-F484 HydrophobicContact CB-CE2 3.78Å; F433-L487 HydrophobicContact CB-CD2 3.84Å; F433-L487 HydrophobicContact CD1-CD2 4.01Å; F433-L487 HydrophobicContact CG-CD2 4.26Å; F433-F493 AromaticContact CE1-CE1 3.87Å; F433-F493 HydrophobicContact CE1-CE1 3.87Å; F433-F493 HydrophobicContact CZ-CE1 4.28Å
434	A	94.1	Very high	93.5	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-38.8	176.9	0	0	0	0	0	113.2	H430 C431 L432 A437 F484 W664	H430-A434 WeakPolarHBondContact O-CB 3.41Å; H430-A434 PolarHBondContact O-N 3.19Å; C431-A434 PolarHBondContact O-N 2.88Å; L432-A434 VanDerWaalsContact C-N 3.25Å; L432-A434 PolarHBondContact O-N 3.33Å; A434-A437 PolarHBondContact O-N 3.39Å; A434-F484 HydrophobicContact CB-CE1 3.71Å; A434-F484 HydrophobicContact CB-CE2 4.3Å; A434-F484 HydrophobicContact CB-CZ 3.45Å; A434-F484 VanDerWaalsContact CB-CZ 3.45Å; A434-W664 HydrophobicContact CB-CD2 4.47Å; A434-W664 HydrophobicContact CB-CH2 3.36Å; A434-W664 HydrophobicContact CB-CZ2 3.09Å; A434-W664 HydrophobicContact CB-CZ3 4.17Å
435	G	93.2	Very high	93.7	Very high	46 Å²	46	39.6 Å²	39.6	47%	0.474	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-41.6	174.2	0	0	0	0	0	112.4	C431 L432 F433	C431-G435 PolarHBondContact O-N 3.49Å; C431-G435 VanDerWaalsContact O-N 3.09Å; L432-G435 PolarHBondContact O-N 3.23Å; L432-G435 VanDerWaalsContact O-N 3.09Å; F433-G435 VanDerWaalsContact C-N 3.33Å; F433-G435 PolarHBondContact O-N 3.49Å
436	F	95.6	Very high	93.8	Very high	27 Å²	27	39.5 Å²	39.5	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-80.5	-19.3	178.5	-75.3	-81.6	0	0	0	114	L411 V413 L432 F433 I438 R439 T445 F447 L487 F641 V643	L411-F436 HydrophobicContact CD1-CE1 3.92Å; V413-F436 HydrophobicContact CG1-CE2 4.41Å; V413-F436 HydrophobicContact CG1-CZ 4.49Å; V413-F436 HydrophobicContact CG2-CD1 4.42Å; V413-F436 HydrophobicContact CG2-CE1 3.72Å; V413-F436 HydrophobicContact CG2-CE2 3.98Å; V413-F436 HydrophobicContact CG2-CZ 3.47Å; V413-F436 VanDerWaalsContact CG2-CZ 3.47Å; L432-F436 HydrophobicContact CD2-CD2 4.11Å; L432-F436 HydrophobicContact CD2-CE2 4.37Å; L432-F436 HydrophobicContact CG-CD2 4.15Å; L432-F436 HydrophobicContact CG-CE2 4.14Å; L432-F436 VanDerWaalsContact O-CD2 3.31Å; L432-F436 WeakPolarHBondContact O-CD2 3.28Å; L432-F436 PolarHBondContact O-N 3.08Å; L432-F436 VanDerWaalsContact O-N 3.13Å; F433-F436 CarbonylContact O-C 3.54Å; F433-F436 PolarHBondContact O-N 3.49Å; F436-I438 PolarHBondContact O-N 3.43Å; F436-R439 WeakPolarHBondContact O-CB 3.18Å; F436-R439 WeakPolarHBondContact O-CG 3.31Å; F436-R439 PolarHBondContact O-N 3.34Å; F436-T445 HydrophobicContact CD1-CG2 4.27Å; F436-F447 HydrophobicContact CB-CE1 4.46Å; F436-F447 HydrophobicContact CB-CZ 3.8Å; F436-F447 HydrophobicContact CD1-CZ 4.48Å; F436-F447 AromaticContact CD2-CE1 3.86Å; F436-F447 HydrophobicContact CD2-CE1 3.86Å; F436-F447 HydrophobicContact CD2-CZ 4.07Å; F436-F447 HydrophobicContact CE2-CE1 4.32Å; F436-F447 HydrophobicContact CG-CE1 4.1Å; F436-F447 AromaticContact CG-CZ 3.87Å; F436-F447 HydrophobicContact CG-CZ 3.87Å; F436-L487 HydrophobicContact CB-CD1 4.31Å; F436-F641 HydrophobicContact CE2-CE2 4.3Å; F436-F641 HydrophobicContact CZ-CE2 4.46Å; F436-V643 HydrophobicContact CZ-CG2 4.16Å
437	A	93.7	Very high	93.9	Very high	28 Å²	28	38.3 Å²	38.3	23%	0.231	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.7	178.6	0	0	0	0	0	113.6	F433 A434 R439 F484	F433-A437 VanDerWaalsContact O-CB 3.22Å; F433-A437 WeakPolarHBondContact O-CB 3.41Å; F433-A437 PolarHBondContact O-N 3.38Å; A434-A437 PolarHBondContact O-N 3.39Å; A437-R439 PolarHBondContact O-N 3.03Å; A437-F484 HydrophobicContact CB-CB 3.88Å; A437-F484 HydrophobicContact CB-CD1 3.5Å; A437-F484 VanDerWaalsContact CB-CD1 3.5Å; A437-F484 HydrophobicContact CB-CE1 4.28Å; A437-F484 HydrophobicContact CB-CG 3.82Å
438	I	92.2	Very high	94.1	Very high	152 Å²	152	34.4 Å²	34.4	78%	0.779	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.9	175.7	-59.1	169.9	0	0	0	111.3	F436	F436-I438 PolarHBondContact O-N 3.43Å
439	R	92.4	Very high	94.2	Very high	45 Å²	45	34.4 Å²	34.4	17%	0.17	19%	0.194	C	C	.	.	S	Bend	trans	-70.1	155	-178	-62.7	176.6	66.4	-92.9	15.2	112.3	S409 F436 A437 Q443 L444 T445	S409-R439 PolarHBondContact O-NH2 2.81Å; F436-R439 WeakPolarHBondContact O-CB 3.18Å; F436-R439 WeakPolarHBondContact O-CG 3.31Å; F436-R439 PolarHBondContact O-N 3.34Å; A437-R439 PolarHBondContact O-N 3.03Å; R439-Q443 PolarHBondContact NH1-O 2.82Å; R439-Q443 PolarHBondContact NH2-O 3.38Å; R439-L444 PolarHBondContact NH2-O 3.37Å; R439-L444 VanDerWaalsContact NH2-O 3.1Å; R439-T445 PolarHBondContact NH1-OG1 2.91Å; R439-T445 PolarHBondContact NH2-OG1 3.47Å
440	D	89.4	Confident	94.3	Very high	75 Å²	75	34.4 Å²	34.4	40%	0.401	19%	0.194	S	C	.	.			trans	-64.7	127.6	174.9	-179.6	-12.4	0	0	0	109.8	N442 Q443	D440-N442 PolarHBondContact O-N 2.65Å; D440-N442 VanDerWaalsContact O-N 3.08Å; D440-N442 WeakPolarHBondContact OD1-CB 3.44Å; D440-N442 PolarHBondContact OD1-N 3.01Å; D440-N442 PolarHBondContact OD1-ND2 3Å; D440-Q443 HydrophobicContact CB-CG 3.99Å; D440-Q443 WeakPolarHBondContact O-CB 3.39Å; D440-Q443 PolarHBondContact O-N 2.94Å
441	P	87.2	Confident	94.3	Very high	65 Å²	65	32.4 Å²	32.4	42%	0.422	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-20.2	175.5	11.1	-21.7	0	0	0	115.3	Q443 S486 S490	P441-Q443 VanDerWaalsContact C-N 3.26Å; P441-S486 WeakPolarHBondContact CB-OG 3.49Å; P441-S486 VanDerWaalsContact CG-OG 3.32Å; P441-S486 WeakPolarHBondContact CG-OG 3.46Å; P441-S490 WeakPolarHBondContact O-CB 3.48Å
442	N	85.2	Confident	94.3	Very high	141 Å²	141	32 Å²	32	75%	0.754	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16.4	174.1	-60.6	-49.5	0	0	0	113	D440	D440-N442 PolarHBondContact O-N 2.65Å; D440-N442 VanDerWaalsContact O-N 3.08Å; D440-N442 WeakPolarHBondContact OD1-CB 3.44Å; D440-N442 PolarHBondContact OD1-N 3.01Å; D440-N442 PolarHBondContact OD1-ND2 3Å
443	Q	89.8	Confident	94.3	Very high	60 Å²	60	31.8 Å²	31.8	28%	0.28	18%	0.181	S	C	.	.	S	Bend	trans	-88.3	117.2	178.9	-59.8	173.9	-20.4	0	0	110.3	S409 R439 D440 P441 T445	S409-Q443 VanDerWaalsContact CB-CD 3.4Å; S409-Q443 VanDerWaalsContact CB-CG 3.44Å; S409-Q443 PolarHBondContact OG-NE2 2.9Å; R439-Q443 PolarHBondContact NH1-O 2.82Å; R439-Q443 PolarHBondContact NH2-O 3.38Å; D440-Q443 HydrophobicContact CB-CG 3.99Å; D440-Q443 WeakPolarHBondContact O-CB 3.39Å; D440-Q443 PolarHBondContact O-N 2.94Å; P441-Q443 VanDerWaalsContact C-N 3.26Å; Q443-T445 PolarHBondContact O-N 3.46Å
444	L	93.3	Very high	94.1	Very high	16 Å²	16	32 Å²	32	8%	0.084	18%	0.182	C	C	.	.			trans	-57.3	134.6	-179.6	-68.3	-178	0	0	0	112.3	L216 T410 L411 R439 F446 Y539	L216-L444 HydrophobicContact CB-CD1 4.23Å; L216-L444 HydrophobicContact CD1-CD1 3.6Å; T410-L444 WeakPolarHBondContact CA-O 3.36Å; T410-L444 HydrophobicContact CG2-CB 3.93Å; L411-L444 PolarHBondContact N-O 3.2Å; L411-L444 VanDerWaalsContact N-O 3.14Å; R439-L444 PolarHBondContact NH2-O 3.37Å; R439-L444 VanDerWaalsContact NH2-O 3.1Å; L444-F446 HydrophobicContact CB-CE2 4Å; L444-F446 HydrophobicContact CD1-CE2 4.26Å; L444-F446 HydrophobicContact CD1-CZ 4.28Å; L444-Y539 HydrophobicContact CD1-CE2 4.33Å
445	T	97.1	Very high	94	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.1	170.3	-61.3	0	0	0	0	109.2	L411 V413 F436 R439 Q443 F447 A491 R492	L411-T445 WeakPolarHBondContact O-CA 3.5Å; V413-T445 HydrophobicContact CG2-CG2 4.34Å; F436-T445 HydrophobicContact CD1-CG2 4.27Å; R439-T445 PolarHBondContact NH1-OG1 2.91Å; R439-T445 PolarHBondContact NH2-OG1 3.47Å; Q443-T445 PolarHBondContact O-N 3.46Å; T445-F447 HydrophobicContact CG2-CD2 4.16Å; T445-F447 HydrophobicContact CG2-CE1 4.29Å; T445-F447 HydrophobicContact CG2-CE2 3.63Å; T445-F447 HydrophobicContact CG2-CZ 3.7Å; T445-A491 WeakPolarHBondContact O-CA 3.47Å; T445-R492 PolarHBondContact O-N 3.03Å
446	F	98.5	Very high	93.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.6	175.2	-59.8	-95.9	0	0	0	108.1	F217 T410 L411 F412 V413 L444 R492 I494	F217-F446 HydrophobicContact CB-CZ 4.32Å; F217-F446 AromaticContact CD1-CE1 3.66Å; F217-F446 HydrophobicContact CD1-CE1 3.66Å; F217-F446 AromaticContact CD1-CZ 3.5Å; F217-F446 HydrophobicContact CD1-CZ 3.5Å; F217-F446 VanDerWaalsContact CD1-CZ 3.5Å; F217-F446 AromaticContact CD2-CE1 3.85Å; F217-F446 HydrophobicContact CD2-CE1 3.85Å; F217-F446 HydrophobicContact CD2-CZ 4.4Å; F217-F446 AromaticContact CE1-CE1 3.74Å; F217-F446 HydrophobicContact CE1-CE1 3.74Å; F217-F446 AromaticContact CE1-CZ 3.88Å; F217-F446 HydrophobicContact CE1-CZ 3.88Å; F217-F446 AromaticContact CE2-CE1 3.94Å; F217-F446 HydrophobicContact CE2-CE1 3.94Å; F217-F446 AromaticContact CG-CE1 3.73Å; F217-F446 HydrophobicContact CG-CE1 3.73Å; F217-F446 AromaticContact CG-CZ 3.8Å; F217-F446 HydrophobicContact CG-CZ 3.8Å; F217-F446 AromaticContact CZ-CE1 3.89Å; F217-F446 HydrophobicContact CZ-CE1 3.89Å; F217-F446 HydrophobicContact CZ-CZ 4.49Å; T410-F446 HydrophobicContact CG2-CD2 4.27Å; T410-F446 HydrophobicContact CG2-CE2 3.86Å; L411-F446 PolarHBondContact O-N 3.4Å; F412-F446 CarbonylContact C-O 3.44Å; F412-F446 HydrophobicContact CB-CB 4.48Å; F412-F446 HydrophobicContact CD1-CB 3.42Å; F412-F446 VanDerWaalsContact CD1-CB 3.42Å; F412-F446 HydrophobicContact CD1-CD1 4.39Å; F412-F446 AromaticContact CD1-CD2 3.87Å; F412-F446 HydrophobicContact CD1-CD2 3.87Å; F412-F446 AromaticContact CD1-CG 3.66Å; F412-F446 HydrophobicContact CD1-CG 3.66Å; F412-F446 HydrophobicContact CD2-CD2 4.03Å; F412-F446 HydrophobicContact CE1-CB 3.7Å; F412-F446 AromaticContact CE1-CD1 3.78Å; F412-F446 HydrophobicContact CE1-CD1 3.78Å; F412-F446 AromaticContact CE1-CD2 3.53Å; F412-F446 HydrophobicContact CE1-CD2 3.53Å; F412-F446 HydrophobicContact CE1-CE1 4.24Å; F412-F446 HydrophobicContact CE1-CE2 4.05Å; F412-F446 AromaticContact CE1-CG 3.38Å; F412-F446 HydrophobicContact CE1-CG 3.38Å; F412-F446 HydrophobicContact CE1-CZ 4.38Å; F412-F446 AromaticContact CE2-CD2 3.71Å; F412-F446 HydrophobicContact CE2-CD2 3.71Å; F412-F446 AromaticContact CE2-CE2 3.9Å; F412-F446 HydrophobicContact CE2-CE2 3.9Å; F412-F446 HydrophobicContact CE2-CG 4.42Å; F412-F446 HydrophobicContact CG-CB 3.99Å; F412-F446 HydrophobicContact CG-CD2 4.09Å; F412-F446 HydrophobicContact CG-CG 4.27Å; F412-F446 HydrophobicContact CZ-CB 4.48Å; F412-F446 HydrophobicContact CZ-CD1 4.23Å; F412-F446 AromaticContact CZ-CD2 3.44Å; F412-F446 HydrophobicContact CZ-CD2 3.44Å; F412-F446 VanDerWaalsContact CZ-CD2 3.44Å; F412-F446 HydrophobicContact CZ-CE1 4.31Å; F412-F446 AromaticContact CZ-CE2 3.57Å; F412-F446 HydrophobicContact CZ-CE2 3.57Å; F412-F446 AromaticContact CZ-CG 3.81Å; F412-F446 HydrophobicContact CZ-CG 3.81Å; F412-F446 HydrophobicContact CZ-CZ 4.01Å; V413-F446 PolarHBondContact N-O 2.93Å; L444-F446 HydrophobicContact CB-CE2 4Å; L444-F446 HydrophobicContact CD1-CE2 4.26Å; L444-F446 HydrophobicContact CD1-CZ 4.28Å; F446-R492 CarbonylContact C-O 3.59Å; F446-R492 WeakPolarHBondContact CA-O 2.91Å; F446-R492 HydrophobicContact CD1-CB 3.71Å; F446-R492 HydrophobicContact CD1-CG 4.44Å; F446-R492 HydrophobicContact CE1-CB 4.1Å; F446-R492 HydrophobicContact CE1-CG 4.35Å; F446-R492 HydrophobicContact CG-CB 4.44Å; F446-I494 HydrophobicContact CB-CD1 4.5Å; F446-I494 HydrophobicContact CD1-CD1 3.97Å
447	F	98.7	Very high	93	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.7	165.8	-63.5	-82.1	0	0	0	108.3	V413 L432 F433 F436 T445 F449 L487 A491 R492 F493 I494	V413-F447 HydrophobicContact CB-CD1 3.71Å; V413-F447 HydrophobicContact CB-CE1 4.06Å; V413-F447 HydrophobicContact CG1-CD1 3.97Å; V413-F447 HydrophobicContact CG1-CE1 4.22Å; V413-F447 HydrophobicContact CG2-CD1 4.02Å; V413-F447 HydrophobicContact CG2-CE1 3.87Å; L432-F447 HydrophobicContact CD2-CD1 3.85Å; L432-F447 HydrophobicContact CD2-CE1 3.4Å; L432-F447 HydrophobicContact CD2-CZ 4.32Å; F433-F447 HydrophobicContact CD1-CE1 4.28Å; F433-F447 HydrophobicContact CD1-CE2 4.47Å; F433-F447 HydrophobicContact CD1-CZ 4.15Å; F433-F447 HydrophobicContact CE1-CD1 4.31Å; F433-F447 HydrophobicContact CE1-CE1 4.34Å; F433-F447 HydrophobicContact CE1-CG 4.45Å; F433-F447 HydrophobicContact CE1-CZ 4.46Å; F436-F447 HydrophobicContact CB-CE1 4.46Å; F436-F447 HydrophobicContact CB-CZ 3.8Å; F436-F447 HydrophobicContact CD1-CZ 4.48Å; F436-F447 AromaticContact CD2-CE1 3.86Å; F436-F447 HydrophobicContact CD2-CE1 3.86Å; F436-F447 HydrophobicContact CD2-CZ 4.07Å; F436-F447 HydrophobicContact CE2-CE1 4.32Å; F436-F447 HydrophobicContact CG-CE1 4.1Å; F436-F447 AromaticContact CG-CZ 3.87Å; F436-F447 HydrophobicContact CG-CZ 3.87Å; T445-F447 HydrophobicContact CG2-CD2 4.16Å; T445-F447 HydrophobicContact CG2-CE1 4.29Å; T445-F447 HydrophobicContact CG2-CE2 3.63Å; T445-F447 HydrophobicContact CG2-CZ 3.7Å; F447-F449 HydrophobicContact CB-CD2 3.92Å; F447-F449 HydrophobicContact CB-CE2 3.48Å; F447-F449 VanDerWaalsContact CB-CE2 3.48Å; F447-F449 HydrophobicContact CB-CZ 4.47Å; F447-F449 HydrophobicContact CG-CE2 4.29Å; F447-L487 HydrophobicContact CE2-CD1 4.03Å; F447-L487 HydrophobicContact CE2-CD2 4.18Å; F447-L487 HydrophobicContact CE2-CG 4.26Å; F447-L487 HydrophobicContact CZ-CD1 4.34Å; F447-L487 HydrophobicContact CZ-CD2 4.25Å; F447-A491 HydrophobicContact CD2-CB 3.97Å; F447-A491 HydrophobicContact CE2-CB 3.75Å; F447-R492 PolarHBondContact N-O 2.91Å; F447-F493 HydrophobicContact CB-CD1 3.89Å; F447-F493 HydrophobicContact CB-CE1 4.12Å; F447-F493 HydrophobicContact CD2-CD1 4.04Å; F447-F493 AromaticContact CD2-CE1 3.52Å; F447-F493 HydrophobicContact CD2-CE1 3.52Å; F447-F493 AromaticContact CD2-CZ 3.88Å; F447-F493 HydrophobicContact CD2-CZ 3.88Å; F447-F493 HydrophobicContact CE2-CE1 4.21Å; F447-F493 HydrophobicContact CE2-CZ 4.26Å; F447-F493 HydrophobicContact CG-CD1 4.29Å; F447-F493 HydrophobicContact CG-CE1 4.01Å; F447-I494 PolarHBondContact O-N 3.25Å
448	V	98.8	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	99.2	179	-173.9	0	0	0	0	108.1	F412 V413 F414 L415 T450 I494 V496 I537 V546	F412-V448 HydrophobicContact CD1-CG2 4.34Å; V413-V448 PolarHBondContact O-N 3.12Å; F414-V448 HydrophobicContact CD1-CB 3.58Å; F414-V448 HydrophobicContact CD1-CG1 3.89Å; F414-V448 HydrophobicContact CD1-CG2 3.86Å; F414-V448 HydrophobicContact CE1-CB 3.89Å; F414-V448 HydrophobicContact CE1-CG1 4.13Å; F414-V448 HydrophobicContact CE1-CG2 3.66Å; L415-V448 PolarHBondContact N-O 3.24Å; V448-T450 HydrophobicContact CG1-CG2 4.19Å; V448-I494 HydrophobicContact CG2-CB 4.38Å; V448-I494 HydrophobicContact CG2-CD1 3.98Å; V448-V496 HydrophobicContact CG1-CG2 4.45Å; V448-I537 HydrophobicContact CG2-CD1 4.49Å; V448-V546 HydrophobicContact CG1-CG1 3.97Å; V448-V546 HydrophobicContact CG1-CG2 4.2Å
449	F	98.7	Very high	91.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.6	177.4	-77.8	-90.3	0	0	0	109.5	L415 V418 L429 F433 F447 F453 F493 I494 F495 V496	L415-F449 HydrophobicContact CB-CD1 4.4Å; L415-F449 HydrophobicContact CD1-CD1 4Å; L415-F449 HydrophobicContact CD1-CD2 4.45Å; L415-F449 HydrophobicContact CD1-CE1 3.53Å; L415-F449 HydrophobicContact CD1-CE2 4.04Å; L415-F449 HydrophobicContact CD1-CG 4.42Å; L415-F449 HydrophobicContact CD1-CZ 3.53Å; V418-F449 HydrophobicContact CB-CD1 4.32Å; V418-F449 HydrophobicContact CG1-CD1 4.03Å; V418-F449 HydrophobicContact CG1-CE1 4.1Å; V418-F449 HydrophobicContact CG2-CD1 4.09Å; L429-F449 HydrophobicContact CD1-CE1 4.15Å; L429-F449 HydrophobicContact CD2-CE1 3.67Å; L429-F449 HydrophobicContact CD2-CZ 4.06Å; F433-F449 HydrophobicContact CE1-CE2 4.46Å; F433-F449 HydrophobicContact CE1-CZ 4.08Å; F433-F449 HydrophobicContact CZ-CE2 4.4Å; F433-F449 AromaticContact CZ-CZ 3.79Å; F433-F449 HydrophobicContact CZ-CZ 3.79Å; F447-F449 HydrophobicContact CB-CD2 3.92Å; F447-F449 HydrophobicContact CB-CE2 3.48Å; F447-F449 VanDerWaalsContact CB-CE2 3.48Å; F447-F449 HydrophobicContact CB-CZ 4.47Å; F447-F449 HydrophobicContact CG-CE2 4.29Å; F449-F453 HydrophobicContact CB-CE1 4.03Å; F449-F453 HydrophobicContact CB-CZ 4.28Å; F449-F493 HydrophobicContact CD2-CD1 4.44Å; F449-F493 AromaticContact CE2-CD1 3.91Å; F449-F493 HydrophobicContact CE2-CD1 3.91Å; F449-F493 HydrophobicContact CE2-CE1 4.36Å; F449-I494 PolarHBondContact N-O 2.8Å; F449-F495 HydrophobicContact CB-CD1 3.4Å; F449-F495 VanDerWaalsContact CB-CD1 3.4Å; F449-F495 HydrophobicContact CB-CE1 3.49Å; F449-F495 VanDerWaalsContact CB-CE1 3.49Å; F449-F495 HydrophobicContact CB-CG 4.39Å; F449-F495 HydrophobicContact CD1-CE1 4.33Å; F449-F495 HydrophobicContact CD2-CD1 4.5Å; F449-F495 AromaticContact CD2-CE1 3.83Å; F449-F495 HydrophobicContact CD2-CE1 3.83Å; F449-F495 HydrophobicContact CD2-CZ 4.21Å; F449-F495 HydrophobicContact CG-CD1 4.1Å; F449-F495 AromaticContact CG-CE1 3.63Å; F449-F495 HydrophobicContact CG-CE1 3.63Å; F449-F495 HydrophobicContact CG-CZ 4.45Å; F449-F495 CarbonylContact O-C 3.51Å; F449-F495 WeakPolarHBondContact O-CA 3.17Å; F449-V496 PolarHBondContact O-N 3.46Å
450	T	98.3	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.6	174.2	72.6	0	0	0	0	110.2	L415 S416 D417 V448 V496 V546 C613	L415-T450 PolarHBondContact O-N 2.74Å; L415-T450 PolarHBondContact O-OG1 3.02Å; S416-T450 VanDerWaalsContact CA-OG1 3.23Å; S416-T450 WeakPolarHBondContact CA-OG1 3.45Å; S416-T450 PolarHBondContact OG-OG1 3.45Å; D417-T450 PolarHBondContact N-O 3.33Å; V448-T450 HydrophobicContact CG1-CG2 4.19Å; T450-V496 VanDerWaalsContact CA-O 3.32Å; T450-V496 WeakPolarHBondContact CA-O 3.11Å; T450-V496 HydrophobicContact CG2-CB 3.84Å; T450-V496 HydrophobicContact CG2-CG1 4.46Å; T450-V496 HydrophobicContact CG2-CG2 4.22Å; T450-V546 HydrophobicContact CG2-CG1 3.85Å; T450-C613 HydrophobicContact CG2-CB 4.1Å; T450-C613 VanDerWaalsContact CG2-SG 3.51Å; T450-C613 WeakPolarHBondContact OG1-CB 3.47Å
451	G	95.2	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-60.8	175	-179.9	0	0	0	0	0	112.9	D417 V496 D501 R548	D417-G451 PolarHBondContact N-O 3.37Å; D417-G451 VanDerWaalsContact N-O 3.16Å; G451-V496 PolarHBondContact N-O 3.37Å; G451-D501 WeakPolarHBondContact CA-OD2 3.05Å; G451-R548 VanDerWaalsContact O-CD 3.22Å; G451-R548 WeakPolarHBondContact O-CD 3.41Å; G451-R548 PolarHBondContact O-NE 2.71Å
452	E	94.7	Very high	88.8	Confident	4 Å²	4	41.6 Å²	41.6	2%	0.019	23%	0.232	C	C	.	.			cis	-75.9	137.3	7.7	-49.7	179.9	175.3	0	0	110.9	V418 H419 Y457 S498 Q500 K615	V418-E452 CarbonylContact C-O 3.57Å; V418-E452 VanDerWaalsContact C-O 3.26Å; V418-E452 PolarHBondContact N-O 3.49Å; V418-E452 VanDerWaalsContact N-O 3.13Å; H419-E452 PolarHBondContact CD2-O 3.44Å; E452-Y457 WeakPolarHBondContact OE2-CE1 3.37Å; E452-Y457 VanDerWaalsContact OE2-CZ 3.25Å; E452-Y457 PolarHBondContact OE2-OH 3.49Å; E452-S498 WeakPolarHBondContact CG-OG 3.39Å; E452-Q500 HydrophobicContact CB-CB 4.46Å; E452-Q500 HydrophobicContact CG-CB 3.89Å; E452-Q500 HydrophobicContact CG-CG 4.27Å; E452-Q500 WeakPolarHBondContact OE1-CG 3.32Å; E452-K615 VanDerWaalsContact CD-NZ 3.33Å; E452-K615 IonicContact OE1-NZ 3.59Å; E452-K615 PolarHBondContact OE1-NZ 2.94Å; E452-K615 IonicContact OE2-NZ 3.63Å
453	F	96.4	Very high	88.2	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.			trans	-89.8	-5.7	-178	-66.7	-65.3	0	0	0	114.3	V418 L420 F449 N470 F474 F495 D501 L513	V418-F453 WeakPolarHBondContact O-CA 3.42Å; L420-F453 HydrophobicContact CD1-CB 4.39Å; L420-F453 HydrophobicContact CD1-CD1 4.08Å; L420-F453 HydrophobicContact CG-CB 4.49Å; L420-F453 HydrophobicContact CG-CD1 4.23Å; L420-F453 PolarHBondContact N-O 3.38Å; F449-F453 HydrophobicContact CB-CE1 4.03Å; F449-F453 HydrophobicContact CB-CZ 4.28Å; F453-N470 WeakPolarHBondContact CB-OD1 3.26Å; F453-F474 HydrophobicContact CB-CE2 4.45Å; F453-F474 HydrophobicContact CD1-CZ 4.26Å; F453-F474 HydrophobicContact CD2-CE2 4.46Å; F453-F474 HydrophobicContact CD2-CZ 4.22Å; F453-F474 HydrophobicContact CE1-CZ 4.46Å; F453-F474 HydrophobicContact CE2-CZ 4.43Å; F453-F474 HydrophobicContact CG-CE2 4.29Å; F453-F474 HydrophobicContact CG-CZ 4.14Å; F453-F495 HydrophobicContact CE1-CD1 4.06Å; F453-F495 AromaticContact CZ-CD1 3.89Å; F453-F495 HydrophobicContact CZ-CD1 3.89Å; F453-D501 PolarHBondContact N-OD1 3.28Å; F453-L513 HydrophobicContact CD2-CD1 3.96Å; F453-L513 HydrophobicContact CD2-CD2 4.38Å; F453-L513 HydrophobicContact CE2-CD1 3.67Å; F453-L513 HydrophobicContact CE2-CD2 4.48Å; F453-L513 HydrophobicContact CE2-CG 4.45Å; F453-L513 HydrophobicContact CZ-CD1 4.46Å
454	L	94.1	Very high	87.7	Confident	5 Å²	5	39.3 Å²	39.3	3%	0.026	23%	0.23	C	C	.	.			trans	-130.9	139.2	175.9	-65.2	176.1	0	0	0	110.2	D421 T456 Y458 K466 N470	D421-L454 HydrophobicContact CB-CD2 3.83Å; D421-L454 WeakPolarHBondContact OD1-CA 3.1Å; L454-T456 VanDerWaalsContact C-N 3.29Å; L454-T456 PolarHBondContact O-N 2.8Å; L454-Y458 HydrophobicContact CD1-CE2 4.37Å; L454-K466 HydrophobicContact CD1-CG 3.7Å; L454-N470 WeakPolarHBondContact CD1-ND2 3.35Å; L454-N470 WeakPolarHBondContact CG-OD1 3.23Å
455	S	92	Very high	87.2	Confident	52 Å²	52	45 Å²	45	36%	0.364	25%	0.251	S	S	.	.	S	Bend	trans	-71.6	-23.8	174.9	71.7	0	0	0	0	113.7	D421	D421-S455 VanDerWaalsContact CG-N 3.34Å; D421-S455 PolarHBondContact OD1-N 3.4Å; D421-S455 PolarHBondContact OD1-OG 2.96Å; D421-S455 WeakPolarHBondContact OD2-CB 3.4Å; D421-S455 PolarHBondContact OD2-N 3.44Å; D421-S455 VanDerWaalsContact OD2-N 3.11Å; D421-S455 PolarHBondContact OD2-OG 3.27Å
456	T	87.1	Confident	86.5	Confident	67 Å²	67	45.1 Å²	45.1	41%	0.411	25%	0.251	S	S	.	.	S	Bend	trans	-113	133.1	-173.4	-56.7	0	0	0	0	111.9	L454 Y458	L454-T456 VanDerWaalsContact C-N 3.29Å; L454-T456 PolarHBondContact O-N 2.8Å; T456-Y458 HydrophobicContact CG2-CE2 4.29Å; T456-Y458 WeakPolarHBondContact O-CE2 3.39Å
457	Y	81	Confident	85.8	Confident	80 Å²	80	48.4 Å²	48.4	31%	0.314	27%	0.268	S	S	.	.			trans	-87.1	135.3	176.9	-51.4	-68.6	0	0	0	111.6	E452 Q500	E452-Y457 WeakPolarHBondContact OE2-CE1 3.37Å; E452-Y457 VanDerWaalsContact OE2-CZ 3.25Å; E452-Y457 PolarHBondContact OE2-OH 3.49Å; Y457-Q500 HydrophobicContact CD1-CB 4.11Å; Y457-Q500 HydrophobicContact CD1-CG 4.03Å; Y457-Q500 HydrophobicContact CE1-CB 3.78Å; Y457-Q500 HydrophobicContact CE1-CG 3.54Å
458	Y	78	Confident	85.3	Confident	50 Å²	50	52.5 Å²	52.5	20%	0.196	29%	0.293	C	S	.	.			trans	-119.5	125.6	172.8	-58.2	-88	0	0	0	108.6	L454 T456 E462 R465 K466	L454-Y458 HydrophobicContact CD1-CE2 4.37Å; T456-Y458 HydrophobicContact CG2-CE2 4.29Å; T456-Y458 WeakPolarHBondContact O-CE2 3.39Å; Y458-E462 HydrophobicContact CD1-CB 4.36Å; Y458-R465 HydrophobicContact CD1-CB 4.45Å; Y458-K466 HydrophobicContact CD2-CB 3.86Å; Y458-K466 HydrophobicContact CD2-CD 4.33Å; Y458-K466 HydrophobicContact CD2-CG 3.89Å; Y458-K466 HydrophobicContact CG-CB 4.25Å
459	Y	73.1	Confident	84.8	Confident	165 Å²	165	54.1 Å²	54.1	65%	0.647	30%	0.304	S	S	*	.			trans	-110.9	155.1	-177.2	-61.9	-79.8	0	0	0	111.9	A461 E462	Y459-A461 PolarHBondContact O-N 3.32Å; Y459-E462 PolarHBondContact O-N 3.27Å
460	G	73.1	Confident	84.4	Confident	51 Å²	51	54.1 Å²	54.1	53%	0.526	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	58.5	-128.8	171.8	0	0	0	0	0	114.1	E462 Q463	G460-E462 PolarHBondContact O-N 3.48Å; G460-Q463 VanDerWaalsContact O-CG 3.31Å; G460-Q463 WeakPolarHBondContact O-CG 3.46Å; G460-Q463 PolarHBondContact O-N 2.77Å
461	A	68.1	Low	84.1	Confident	112 Å²	112	55 Å²	55	93%	0.926	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.4	-12.1	-177.2	0	0	0	0	0	114.3	Y459	Y459-A461 PolarHBondContact O-N 3.32Å
462	E	73.9	Confident	84.1	Confident	68 Å²	68	58.8 Å²	58.8	32%	0.318	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.6	0.7	180	-51.9	-159.9	151.9	0	0	114.1	Y458 Y459 G460 G464 R465 K466	Y458-E462 HydrophobicContact CD1-CB 4.36Å; Y459-E462 PolarHBondContact O-N 3.27Å; G460-E462 PolarHBondContact O-N 3.48Å; E462-G464 PolarHBondContact O-N 2.88Å; E462-G464 VanDerWaalsContact O-N 3.14Å; E462-R465 VanDerWaalsContact CD-NH2 3.32Å; E462-R465 WeakPolarHBondContact O-CB 3.38Å; E462-R465 PolarHBondContact O-N 2.95Å; E462-R465 IonicContact OE1-CZ 3.83Å; E462-R465 IonicContact OE1-NH1 3.93Å; E462-R465 PolarHBondContact OE1-NH1 2.88Å; E462-R465 IonicContact OE1-NH2 3.09Å; E462-R465 PolarHBondContact OE1-NH2 2.83Å; E462-R465 IonicContact OE2-CZ 3.92Å; E462-R465 IonicContact OE2-NH1 3.15Å; E462-R465 PolarHBondContact OE2-NH1 2.78Å; E462-R465 VanDerWaalsContact OE2-NH1 3.17Å; E462-K466 PolarHBondContact O-N 2.87Å
463	Q	73	Confident	84.2	Confident	106 Å²	106	58.7 Å²	58.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-54.4	-33.4	177.5	-77	-179.9	18.5	0	0	113.4	G460 R465 K466 L467	G460-Q463 VanDerWaalsContact O-CG 3.31Å; G460-Q463 WeakPolarHBondContact O-CG 3.46Å; G460-Q463 PolarHBondContact O-N 2.77Å; Q463-R465 VanDerWaalsContact C-N 3.28Å; Q463-R465 PolarHBondContact O-N 2.55Å; Q463-K466 VanDerWaalsContact O-CB 3.25Å; Q463-K466 WeakPolarHBondContact O-CB 3.15Å; Q463-K466 PolarHBondContact O-N 3.29Å; Q463-K466 VanDerWaalsContact O-N 3.12Å; Q463-L467 PolarHBondContact O-N 2.72Å; Q463-L467 VanDerWaalsContact O-N 3.12Å
464	G	78.5	Confident	84.2	Confident	48 Å²	48	58.7 Å²	58.7	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-32.5	175.3	0	0	0	0	0	113.6	E462 T468	E462-G464 PolarHBondContact O-N 2.88Å; E462-G464 VanDerWaalsContact O-N 3.14Å; G464-T468 PolarHBondContact O-N 3.45Å; G464-T468 PolarHBondContact O-OG1 3.32Å
465	R	83.4	Confident	84.4	Confident	136 Å²	136	64 Å²	64	51%	0.513	36%	0.355	S	S	.	.	H	α-helix	trans	-69.3	-39.6	173.4	-57.9	-172.8	-150.7	146.7	13	110.7	Y458 E462 Q463 L467 T468 S469	Y458-R465 HydrophobicContact CD1-CB 4.45Å; E462-R465 VanDerWaalsContact CD-NH2 3.32Å; E462-R465 WeakPolarHBondContact O-CB 3.38Å; E462-R465 PolarHBondContact O-N 2.95Å; E462-R465 IonicContact OE1-CZ 3.83Å; E462-R465 IonicContact OE1-NH1 3.93Å; E462-R465 PolarHBondContact OE1-NH1 2.88Å; E462-R465 IonicContact OE1-NH2 3.09Å; E462-R465 PolarHBondContact OE1-NH2 2.83Å; E462-R465 IonicContact OE2-CZ 3.92Å; E462-R465 IonicContact OE2-NH1 3.15Å; E462-R465 PolarHBondContact OE2-NH1 2.78Å; E462-R465 VanDerWaalsContact OE2-NH1 3.17Å; Q463-R465 VanDerWaalsContact C-N 3.28Å; Q463-R465 PolarHBondContact O-N 2.55Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 2.82Å; R465-T468 WeakPolarHBondContact O-CB 3.12Å; R465-T468 PolarHBondContact O-N 2.89Å; R465-T468 VanDerWaalsContact O-N 3.14Å; R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 2.93Å; R465-S469 PolarHBondContact O-OG 3.37Å; R465-S469 VanDerWaalsContact O-OG 3.08Å
466	K	82.6	Confident	84.6	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.017	36%	0.359	C	S	.	.	H	α-helix	trans	-58.3	-41.4	175.6	-161.3	169.8	-172	167.4	0	112.7	L454 Y458 E462 Q463 N470 Q500 P502 T504	L454-K466 HydrophobicContact CD1-CG 3.7Å; Y458-K466 HydrophobicContact CD2-CB 3.86Å; Y458-K466 HydrophobicContact CD2-CD 4.33Å; Y458-K466 HydrophobicContact CD2-CG 3.89Å; Y458-K466 HydrophobicContact CG-CB 4.25Å; E462-K466 PolarHBondContact O-N 2.87Å; Q463-K466 VanDerWaalsContact O-CB 3.25Å; Q463-K466 WeakPolarHBondContact O-CB 3.15Å; Q463-K466 PolarHBondContact O-N 3.29Å; Q463-K466 VanDerWaalsContact O-N 3.12Å; K466-N470 WeakPolarHBondContact O-CB 3.32Å; K466-N470 PolarHBondContact O-N 2.98Å; K466-N470 PolarHBondContact O-ND2 2.57Å; K466-Q500 WeakPolarHBondContact CE-O 3.48Å; K466-Q500 PolarHBondContact NZ-O 2.95Å; K466-P502 HydrophobicContact CD-CG 4.25Å; K466-P502 HydrophobicContact CG-CG 4.06Å; K466-T504 HydrophobicContact CD-CG2 4.06Å
467	L	83.2	Confident	85.2	Confident	69 Å²	69	63.3 Å²	63.3	36%	0.361	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176.4	-160.5	77	0	0	0	111.2	Q463 R465 A471 P502 V517	Q463-L467 PolarHBondContact O-N 2.72Å; Q463-L467 VanDerWaalsContact O-N 3.12Å; R465-L467 VanDerWaalsContact C-N 3.3Å; R465-L467 PolarHBondContact O-N 2.82Å; L467-A471 WeakPolarHBondContact O-CB 3.36Å; L467-A471 PolarHBondContact O-N 2.74Å; L467-P502 HydrophobicContact CD1-CB 4.13Å; L467-P502 HydrophobicContact CD1-CG 4.44Å; L467-V517 HydrophobicContact CD1-CG2 3.17Å; L467-V517 HydrophobicContact CG-CG2 3.84Å
468	T	87.9	Confident	86	Confident	85 Å²	85	59.5 Å²	59.5	52%	0.521	33%	0.325	S	S	.	.	H	α-helix	trans	-65.7	-48.7	178.5	-52.6	0	0	0	0	111.4	G464 R465 N470 A471 D472	G464-T468 PolarHBondContact O-N 3.45Å; G464-T468 PolarHBondContact O-OG1 3.32Å; R465-T468 WeakPolarHBondContact O-CB 3.12Å; R465-T468 PolarHBondContact O-N 2.89Å; R465-T468 VanDerWaalsContact O-N 3.14Å; T468-N470 VanDerWaalsContact C-N 3.34Å; T468-N470 PolarHBondContact O-N 2.86Å; T468-A471 WeakPolarHBondContact O-CB 3.24Å; T468-A471 PolarHBondContact O-N 3.27Å; T468-A471 VanDerWaalsContact O-N 3.12Å; T468-D472 PolarHBondContact O-N 3.15Å
469	S	89.4	Confident	86.9	Confident	34 Å²	34	61 Å²	61	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-39.8	178.8	-59.3	0	0	0	0	112.4	R465 D472 G473	R465-S469 WeakPolarHBondContact O-CB 3.48Å; R465-S469 PolarHBondContact O-N 2.93Å; R465-S469 PolarHBondContact O-OG 3.37Å; R465-S469 VanDerWaalsContact O-OG 3.08Å; S469-D472 PolarHBondContact O-N 3.03Å; S469-G473 PolarHBondContact O-N 2.95Å
470	N	89.3	Confident	87.9	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-49.1	171.7	-87.5	-65.8	0	0	0	110.7	F453 L454 K466 T468 D472 G473 F474 P502 V517	F453-N470 WeakPolarHBondContact CB-OD1 3.26Å; L454-N470 WeakPolarHBondContact CD1-ND2 3.35Å; L454-N470 WeakPolarHBondContact CG-OD1 3.23Å; K466-N470 WeakPolarHBondContact O-CB 3.32Å; K466-N470 PolarHBondContact O-N 2.98Å; K466-N470 PolarHBondContact O-ND2 2.57Å; T468-N470 VanDerWaalsContact C-N 3.34Å; T468-N470 PolarHBondContact O-N 2.86Å; N470-D472 PolarHBondContact O-N 3.14Å; N470-G473 CarbonylContact O-C 2.83Å; N470-G473 WeakPolarHBondContact O-CA 3.45Å; N470-G473 PolarHBondContact O-N 3.42Å; N470-F474 HydrophobicContact CB-CD2 4.48Å; N470-F474 VanDerWaalsContact O-CD2 3.26Å; N470-F474 WeakPolarHBondContact O-CD2 3.33Å; N470-F474 PolarHBondContact O-N 3.14Å; N470-P502 WeakPolarHBondContact ND2-CD 3.38Å; N470-V517 HydrophobicContact CB-CG1 3.42Å; N470-V517 VanDerWaalsContact CB-CG1 3.42Å
471	A	92.6	Very high	89	Confident	20 Å²	20	51.3 Å²	51.3	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-57.4	-38.2	178.8	0	0	0	0	0	112.4	L467 T468 K475 V517 P520	L467-A471 WeakPolarHBondContact O-CB 3.36Å; L467-A471 PolarHBondContact O-N 2.74Å; T468-A471 WeakPolarHBondContact O-CB 3.24Å; T468-A471 PolarHBondContact O-N 3.27Å; T468-A471 VanDerWaalsContact O-N 3.12Å; A471-K475 WeakPolarHBondContact O-CB 3.43Å; A471-K475 PolarHBondContact O-N 3.3Å; A471-V517 WeakPolarHBondContact CA-O 3.25Å; A471-P520 HydrophobicContact CB-CG 4.42Å
472	D	94.7	Very high	90.3	Very high	78 Å²	78	48.1 Å²	48.1	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-67.1	-41	173.3	-75.5	-26.4	0	0	0	112.6	T468 S469 N470 K475 K476	T468-D472 PolarHBondContact O-N 3.15Å; S469-D472 PolarHBondContact O-N 3.03Å; N470-D472 PolarHBondContact O-N 3.14Å; D472-K475 WeakPolarHBondContact O-CB 3.34Å; D472-K475 PolarHBondContact O-N 3.39Å; D472-K476 WeakPolarHBondContact O-CG 3.22Å; D472-K476 PolarHBondContact O-N 3.2Å
473	G	95.8	Very high	91.4	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-49.5	173.1	0	0	0	0	0	112.1	S469 N470 K475 K476 L477	S469-G473 PolarHBondContact O-N 2.95Å; N470-G473 CarbonylContact O-C 2.83Å; N470-G473 WeakPolarHBondContact O-CA 3.45Å; N470-G473 PolarHBondContact O-N 3.42Å; G473-K475 VanDerWaalsContact C-N 3.31Å; G473-K475 PolarHBondContact O-N 3.27Å; G473-K476 PolarHBondContact O-N 3.23Å; G473-K476 VanDerWaalsContact O-N 3.16Å; G473-L477 PolarHBondContact O-N 2.89Å
474	F	97.6	Very high	92.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-36	175.4	-84	-77.6	0	0	0	112.4	L420 F453 N470 L477 G478 F495 L513 V517 V518 F521	L420-F474 HydrophobicContact CD1-CD1 4.17Å; L420-F474 HydrophobicContact CD1-CD2 4.04Å; L420-F474 HydrophobicContact CD1-CE1 4.18Å; L420-F474 HydrophobicContact CD1-CE2 4.01Å; L420-F474 HydrophobicContact CD1-CG 4.1Å; L420-F474 HydrophobicContact CD1-CZ 4.08Å; F453-F474 HydrophobicContact CB-CE2 4.45Å; F453-F474 HydrophobicContact CD1-CZ 4.26Å; F453-F474 HydrophobicContact CD2-CE2 4.46Å; F453-F474 HydrophobicContact CD2-CZ 4.22Å; F453-F474 HydrophobicContact CE1-CZ 4.46Å; F453-F474 HydrophobicContact CE2-CZ 4.43Å; F453-F474 HydrophobicContact CG-CE2 4.29Å; F453-F474 HydrophobicContact CG-CZ 4.14Å; N470-F474 HydrophobicContact CB-CD2 4.48Å; N470-F474 VanDerWaalsContact O-CD2 3.26Å; N470-F474 WeakPolarHBondContact O-CD2 3.33Å; N470-F474 PolarHBondContact O-N 3.14Å; F474-L477 HydrophobicContact CD1-CD2 4.46Å; F474-L477 PolarHBondContact O-N 3.5Å; F474-G478 PolarHBondContact O-N 3.37Å; F474-F495 HydrophobicContact CD1-CE1 4.37Å; F474-F495 HydrophobicContact CD1-CZ 4.36Å; F474-F495 AromaticContact CE1-CD1 3.6Å; F474-F495 HydrophobicContact CE1-CD1 3.6Å; F474-F495 HydrophobicContact CE1-CD2 4.37Å; F474-F495 AromaticContact CE1-CE1 3.47Å; F474-F495 HydrophobicContact CE1-CE1 3.47Å; F474-F495 VanDerWaalsContact CE1-CE1 3.47Å; F474-F495 HydrophobicContact CE1-CE2 4.24Å; F474-F495 HydrophobicContact CE1-CG 4.07Å; F474-F495 AromaticContact CE1-CZ 3.8Å; F474-F495 HydrophobicContact CE1-CZ 3.8Å; F474-F495 AromaticContact CZ-CD1 4Å; F474-F495 HydrophobicContact CZ-CD1 4Å; F474-F495 HydrophobicContact CZ-CE1 4.24Å; F474-F495 HydrophobicContact CZ-CG 4.5Å; F474-L513 HydrophobicContact CE1-CD1 4.48Å; F474-L513 HydrophobicContact CE2-CD1 4Å; F474-L513 HydrophobicContact CZ-CD1 3.54Å; F474-V517 HydrophobicContact CD2-CG1 3.73Å; F474-V517 HydrophobicContact CE2-CG1 3.92Å; F474-V518 HydrophobicContact CD1-CB 4.36Å; F474-V518 HydrophobicContact CD1-CG1 3.82Å; F474-V518 HydrophobicContact CD1-CG2 4.23Å; F474-V518 HydrophobicContact CD2-CG2 4.42Å; F474-V518 HydrophobicContact CE1-CB 4.46Å; F474-V518 HydrophobicContact CE1-CG1 3.93Å; F474-V518 HydrophobicContact CE1-CG2 3.95Å; F474-V518 HydrophobicContact CE2-CG2 4.21Å; F474-V518 HydrophobicContact CG-CG2 4.46Å; F474-V518 HydrophobicContact CZ-CG2 3.97Å; F474-F521 HydrophobicContact CB-CB 4.05Å; F474-F521 HydrophobicContact CD1-CB 3.94Å; F474-F521 HydrophobicContact CD1-CG 4.33Å; F474-F521 HydrophobicContact CG-CB 4.49Å; F474-F521 WeakPolarHBondContact O-CB 3.34Å
475	K	97.8	Very high	93.3	Very high	116 Å²	116	50.7 Å²	50.7	50%	0.504	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-46.7	172	-177.9	-178.5	174.6	-176.2	0	111.6	A471 D472 G473 G478 L479 P520	A471-K475 WeakPolarHBondContact O-CB 3.43Å; A471-K475 PolarHBondContact O-N 3.3Å; D472-K475 WeakPolarHBondContact O-CB 3.34Å; D472-K475 PolarHBondContact O-N 3.39Å; G473-K475 VanDerWaalsContact C-N 3.31Å; G473-K475 PolarHBondContact O-N 3.27Å; K475-G478 PolarHBondContact O-N 3.16Å; K475-L479 WeakPolarHBondContact O-CG 3.41Å; K475-L479 PolarHBondContact O-N 3.03Å; K475-P520 HydrophobicContact CB-CB 3.68Å; K475-P520 HydrophobicContact CG-CB 4.25Å
476	K	97.5	Very high	93.8	Very high	105 Å²	105	46.6 Å²	46.6	46%	0.457	25%	0.25	S	C	.	.	H	α-helix	trans	-64.6	-41.8	177.8	-69.1	172.9	-172.5	173.7	0	111.7	L426 D472 G473 G478 L479 A480	L426-K476 HydrophobicContact CD1-CB 3.8Å; L426-K476 HydrophobicContact CD1-CD 3.55Å; L426-K476 HydrophobicContact CD1-CG 4.3Å; L426-K476 HydrophobicContact CD2-CB 4.05Å; D472-K476 WeakPolarHBondContact O-CG 3.22Å; D472-K476 PolarHBondContact O-N 3.2Å; G473-K476 PolarHBondContact O-N 3.23Å; G473-K476 VanDerWaalsContact O-N 3.16Å; K476-G478 VanDerWaalsContact C-N 3.33Å; K476-G478 PolarHBondContact O-N 3.21Å; K476-L479 PolarHBondContact O-N 3.06Å; K476-A480 PolarHBondContact O-N 3.28Å
477	L	98.1	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-44.4	174.3	-175.7	64	0	0	0	111.6	L420 L429 F433 G473 F474 L479 A480 V481 F495 F521	L420-L477 HydrophobicContact CD1-CD2 4.16Å; L420-L477 HydrophobicContact CD2-CB 4.35Å; L420-L477 HydrophobicContact CD2-CD1 4.25Å; L420-L477 HydrophobicContact CD2-CD2 4.05Å; L420-L477 HydrophobicContact CD2-CG 4.45Å; L429-L477 HydrophobicContact CB-CD1 4.49Å; L429-L477 HydrophobicContact CD1-CD1 3.66Å; F433-L477 HydrophobicContact CE2-CD1 3.86Å; F433-L477 HydrophobicContact CZ-CD1 3.93Å; G473-L477 PolarHBondContact O-N 2.89Å; F474-L477 HydrophobicContact CD1-CD2 4.46Å; F474-L477 PolarHBondContact O-N 3.5Å; L477-L479 VanDerWaalsContact C-N 3.31Å; L477-L479 PolarHBondContact O-N 3.06Å; L477-A480 WeakPolarHBondContact O-CB 3.48Å; L477-A480 PolarHBondContact O-N 3.09Å; L477-V481 PolarHBondContact O-N 3.31Å; L477-F495 HydrophobicContact CD2-CE1 3.96Å; L477-F495 HydrophobicContact CD2-CZ 3.96Å; L477-F521 HydrophobicContact CB-CD2 4.09Å; L477-F521 HydrophobicContact CB-CE2 4.44Å; L477-F521 HydrophobicContact CD2-CD2 3.94Å; L477-F521 HydrophobicContact CD2-CE2 3.89Å; L477-F521 HydrophobicContact CG-CD2 3.84Å; L477-F521 HydrophobicContact CG-CE2 3.73Å
478	G	97.5	Very high	95.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-36.6	179.5	0	0	0	0	0	112.1	F474 K475 K476 S482 F521	F474-G478 PolarHBondContact O-N 3.37Å; K475-G478 PolarHBondContact O-N 3.16Å; K476-G478 VanDerWaalsContact C-N 3.33Å; K476-G478 PolarHBondContact O-N 3.21Å; G478-S482 VanDerWaalsContact O-CB 3.28Å; G478-S482 WeakPolarHBondContact O-CB 3.4Å; G478-S482 PolarHBondContact O-N 3.29Å; G478-S482 PolarHBondContact O-OG 3.25Å; G478-F521 VanDerWaalsContact CA-CD2 3.44Å
479	L	96.8	Very high	95.5	Very high	82 Å²	82	45.2 Å²	45.2	43%	0.429	24%	0.235	S	C	.	.	H	α-helix	trans	-63.9	-44.4	172	-69.6	172.4	0	0	0	111.5	K475 K476 L477 V481 S482 L483	K475-L479 WeakPolarHBondContact O-CG 3.41Å; K475-L479 PolarHBondContact O-N 3.03Å; K476-L479 PolarHBondContact O-N 3.06Å; L477-L479 VanDerWaalsContact C-N 3.31Å; L477-L479 PolarHBondContact O-N 3.06Å; L479-V481 PolarHBondContact O-N 2.98Å; L479-S482 WeakPolarHBondContact CA-OG 3.39Å; L479-S482 PolarHBondContact O-N 3.02Å; L479-S482 PolarHBondContact O-OG 2.62Å; L479-L483 PolarHBondContact O-N 3.12Å
480	A	95.3	Very high	95.8	Very high	13 Å²	13	44.6 Å²	44.6	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-45.4	179	0	0	0	0	0	112.5	K476 L477	K476-A480 PolarHBondContact O-N 3.28Å; L477-A480 WeakPolarHBondContact O-CB 3.48Å; L477-A480 PolarHBondContact O-N 3.09Å
481	V	96.4	Very high	96.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.8	-37.1	176.3	177.3	0	0	0	0	111.6	F433 L477 L479 L483 F484 A488 F493 F521 V525	F433-V481 HydrophobicContact CD1-CG2 4.28Å; F433-V481 HydrophobicContact CD2-CG2 3.64Å; F433-V481 HydrophobicContact CE1-CG2 3.94Å; F433-V481 HydrophobicContact CE2-CB 4.48Å; F433-V481 HydrophobicContact CE2-CG2 3.24Å; F433-V481 HydrophobicContact CG-CG2 4.16Å; F433-V481 HydrophobicContact CZ-CG2 3.4Å; F433-V481 VanDerWaalsContact CZ-CG2 3.4Å; L477-V481 PolarHBondContact O-N 3.31Å; L479-V481 PolarHBondContact O-N 2.98Å; V481-L483 PolarHBondContact O-N 3.36Å; V481-L483 VanDerWaalsContact O-N 3.1Å; V481-F484 PolarHBondContact O-N 2.94Å; V481-A488 HydrophobicContact CG1-CB 3.88Å; V481-F493 HydrophobicContact CB-CZ 4.47Å; V481-F493 HydrophobicContact CG1-CE1 4.37Å; V481-F493 HydrophobicContact CG1-CE2 4.08Å; V481-F493 HydrophobicContact CG1-CZ 3.58Å; V481-F493 HydrophobicContact CG2-CE1 3.96Å; V481-F493 HydrophobicContact CG2-CZ 4Å; V481-F521 HydrophobicContact CG2-CE2 4.08Å; V481-V525 HydrophobicContact CB-CG1 4.33Å; V481-V525 HydrophobicContact CG1-CG1 3.76Å
482	S	95.9	Very high	96.4	Very high	45 Å²	45	44.3 Å²	44.3	32%	0.315	23%	0.226	S	C	.	.	H	α-helix	trans	-65.1	-14.8	-176.6	71.1	0	0	0	0	114.8	G478 L479 F484	G478-S482 VanDerWaalsContact O-CB 3.28Å; G478-S482 WeakPolarHBondContact O-CB 3.4Å; G478-S482 PolarHBondContact O-N 3.29Å; G478-S482 PolarHBondContact O-OG 3.25Å; L479-S482 WeakPolarHBondContact CA-OG 3.39Å; L479-S482 PolarHBondContact O-N 3.02Å; L479-S482 PolarHBondContact O-OG 2.62Å; S482-F484 PolarHBondContact O-N 2.91Å
483	L	95.7	Very high	96.6	Very high	117 Å²	117	40.6 Å²	40.6	61%	0.613	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.7	171.1	-62.2	173.4	0	0	0	112.3	H430 L479 V481	H430-L483 WeakPolarHBondContact NE2-CD1 3.24Å; L479-L483 PolarHBondContact O-N 3.12Å; V481-L483 PolarHBondContact O-N 3.36Å; V481-L483 VanDerWaalsContact O-N 3.1Å
484	F	96.2	Very high	96.7	Very high	34 Å²	34	40.5 Å²	40.5	15%	0.149	21%	0.205	C	C	.	.	S	Bend	trans	-113.8	76.6	178.8	-52.1	-74.6	0	0	0	109.7	H430 F433 A434 A437 V481 S482 S486 L487 A488	H430-F484 AromaticContact CE1-CZ 3.83Å; H430-F484 AromaticContact NE2-CZ 3.92Å; F433-F484 HydrophobicContact CB-CD2 3.7Å; F433-F484 HydrophobicContact CB-CE2 3.78Å; A434-F484 HydrophobicContact CB-CE1 3.71Å; A434-F484 HydrophobicContact CB-CE2 4.3Å; A434-F484 HydrophobicContact CB-CZ 3.45Å; A434-F484 VanDerWaalsContact CB-CZ 3.45Å; A437-F484 HydrophobicContact CB-CB 3.88Å; A437-F484 HydrophobicContact CB-CD1 3.5Å; A437-F484 VanDerWaalsContact CB-CD1 3.5Å; A437-F484 HydrophobicContact CB-CE1 4.28Å; A437-F484 HydrophobicContact CB-CG 3.82Å; V481-F484 PolarHBondContact O-N 2.94Å; S482-F484 PolarHBondContact O-N 2.91Å; F484-S486 VanDerWaalsContact C-N 3.27Å; F484-S486 PolarHBondContact O-N 3.25Å; F484-S486 VanDerWaalsContact O-N 3.15Å; F484-L487 HydrophobicContact CB-CB 3.95Å; F484-L487 WeakPolarHBondContact O-CB 3.5Å; F484-L487 PolarHBondContact O-N 2.95Å; F484-A488 PolarHBondContact O-N 3.42Å
485	E	95.5	Very high	96.8	Very high	125 Å²	125	40.5 Å²	40.5	58%	0.584	21%	0.205	S	C	*	.	H	α-helix	trans	-53.7	-39.7	-170.6	-173.8	179.2	178.6	0	0	113.8	A488 K489	E485-A488 PolarHBondContact O-N 2.81Å; E485-K489 HydrophobicContact CG-CD 4.31Å; E485-K489 WeakPolarHBondContact O-CG 3.16Å; E485-K489 PolarHBondContact O-N 3.05Å; E485-K489 VanDerWaalsContact O-N 3.17Å; E485-K489 VanDerWaalsContact OE1-CE 3.27Å; E485-K489 WeakPolarHBondContact OE1-CE 3.38Å; E485-K489 IonicContact OE1-NZ 2.63Å; E485-K489 PolarHBondContact OE1-NZ 3.18Å
486	S	94.9	Very high	96.8	Very high	50 Å²	50	35 Å²	35	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-58.2	-52.4	175.3	179.5	0	0	0	0	111.2	P441 F484 A488 K489 S490	P441-S486 WeakPolarHBondContact CB-OG 3.49Å; P441-S486 VanDerWaalsContact CG-OG 3.32Å; P441-S486 WeakPolarHBondContact CG-OG 3.46Å; F484-S486 VanDerWaalsContact C-N 3.27Å; F484-S486 PolarHBondContact O-N 3.25Å; F484-S486 VanDerWaalsContact O-N 3.15Å; S486-A488 PolarHBondContact O-N 2.87Å; S486-K489 PolarHBondContact O-N 3.08Å; S486-S490 PolarHBondContact O-N 2.9Å; S486-S490 PolarHBondContact O-OG 2.89Å
487	L	96.1	Very high	96.8	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-41.2	-179.4	-167.2	72.5	0	0	0	111.7	F433 F436 F447 F484 K489 S490 A491	F433-L487 HydrophobicContact CB-CD2 3.84Å; F433-L487 HydrophobicContact CD1-CD2 4.01Å; F433-L487 HydrophobicContact CG-CD2 4.26Å; F436-L487 HydrophobicContact CB-CD1 4.31Å; F447-L487 HydrophobicContact CE2-CD1 4.03Å; F447-L487 HydrophobicContact CE2-CD2 4.18Å; F447-L487 HydrophobicContact CE2-CG 4.26Å; F447-L487 HydrophobicContact CZ-CD1 4.34Å; F447-L487 HydrophobicContact CZ-CD2 4.25Å; F484-L487 HydrophobicContact CB-CB 3.95Å; F484-L487 WeakPolarHBondContact O-CB 3.5Å; F484-L487 PolarHBondContact O-N 2.95Å; L487-K489 PolarHBondContact O-N 3.46Å; L487-S490 PolarHBondContact O-N 3Å; L487-A491 HydrophobicContact CD1-CB 3.87Å; L487-A491 HydrophobicContact CG-CB 4.03Å; L487-A491 WeakPolarHBondContact O-CB 3.24Å; L487-A491 PolarHBondContact O-N 3.03Å
488	A	96.9	Very high	96.6	Very high	7 Å²	7	30.3 Å²	30.3	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-29	177.1	0	0	0	0	0	112.9	V481 F484 E485 S486 V525 T526	V481-A488 HydrophobicContact CG1-CB 3.88Å; F484-A488 PolarHBondContact O-N 3.42Å; E485-A488 PolarHBondContact O-N 2.81Å; S486-A488 PolarHBondContact O-N 2.87Å; A488-V525 HydrophobicContact CB-CG1 4.44Å; A488-V525 WeakPolarHBondContact O-CA 3.4Å; A488-T526 PolarHBondContact O-N 3.38Å
489	K	96.1	Very high	96.4	Very high	115 Å²	115	31 Å²	31	50%	0.5	17%	0.167	S	C	.	.	H	α-helix	trans	-87.7	-37.4	178.6	-72.7	178.1	-174.1	172.6	0	113.5	E485 S486 L487 T526 H527	E485-K489 HydrophobicContact CG-CD 4.31Å; E485-K489 WeakPolarHBondContact O-CG 3.16Å; E485-K489 PolarHBondContact O-N 3.05Å; E485-K489 VanDerWaalsContact O-N 3.17Å; E485-K489 VanDerWaalsContact OE1-CE 3.27Å; E485-K489 WeakPolarHBondContact OE1-CE 3.38Å; E485-K489 IonicContact OE1-NZ 2.63Å; E485-K489 PolarHBondContact OE1-NZ 3.18Å; S486-K489 PolarHBondContact O-N 3.08Å; L487-K489 PolarHBondContact O-N 3.46Å; K489-T526 WeakPolarHBondContact CA-OG1 3.41Å; K489-T526 WeakPolarHBondContact O-CB 3.18Å; K489-T526 PolarHBondContact O-OG1 2.96Å; K489-H527 PolarHBondContact O-CD2 2.76Å
490	S	94.7	Very high	96.1	Very high	22 Å²	22	29.5 Å²	29.5	15%	0.154	16%	0.157	C	C	.	.	H	α-helix	trans	-98.4	-32.3	-171.8	63	0	0	0	0	114.7	P441 S486 L487 R492	P441-S490 WeakPolarHBondContact O-CB 3.48Å; S486-S490 PolarHBondContact O-N 2.9Å; S486-S490 PolarHBondContact O-OG 2.89Å; L487-S490 PolarHBondContact O-N 3Å; S490-R492 PolarHBondContact O-NH1 2.78Å
491	A	97.5	Very high	95.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.			trans	-76.1	151	-176.1	0	0	0	0	0	112.2	T445 F447 L487 F493	T445-A491 WeakPolarHBondContact O-CA 3.47Å; F447-A491 HydrophobicContact CD2-CB 3.97Å; F447-A491 HydrophobicContact CE2-CB 3.75Å; L487-A491 HydrophobicContact CD1-CB 3.87Å; L487-A491 HydrophobicContact CG-CB 4.03Å; L487-A491 WeakPolarHBondContact O-CB 3.24Å; L487-A491 PolarHBondContact O-N 3.03Å; A491-F493 HydrophobicContact CB-CE2 3.81Å; A491-F493 HydrophobicContact CB-CZ 3.99Å
492	R	97.8	Very high	95.4	Very high	13 Å²	13	29.9 Å²	29.9	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.2	178.9	-74.7	156.1	-178.6	78.3	-8	109.8	D214 F217 T445 F446 F447 S490 H527	D214-R492 IonicContact OD1-CZ 3.47Å; D214-R492 IonicContact OD1-NE 3.09Å; D214-R492 PolarHBondContact OD1-NE 3.32Å; D214-R492 IonicContact OD1-NH2 3.57Å; D214-R492 PolarHBondContact OD1-NH2 3.07Å; F217-R492 VanDerWaalsContact CE1-CD 3.43Å; F217-R492 VanDerWaalsContact CZ-CD 3.46Å; F217-R492 HydrophobicContact CZ-CG 4.39Å; T445-R492 PolarHBondContact O-N 3.03Å; F446-R492 CarbonylContact C-O 3.59Å; F446-R492 WeakPolarHBondContact CA-O 2.91Å; F446-R492 HydrophobicContact CD1-CB 3.71Å; F446-R492 HydrophobicContact CD1-CG 4.44Å; F446-R492 HydrophobicContact CE1-CB 4.1Å; F446-R492 HydrophobicContact CE1-CG 4.35Å; F446-R492 HydrophobicContact CG-CB 4.44Å; F447-R492 PolarHBondContact N-O 2.91Å; S490-R492 PolarHBondContact O-NH1 2.78Å; R492-H527 HydrophobicContact CB-CB 4.38Å; R492-H527 HydrophobicContact CG-CB 3.7Å
493	F	98.6	Very high	94.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.1	-178.7	-63.1	-89.4	0	0	0	109.1	F433 F447 F449 V481 A491 F495 F521 V525 H527 C528 I529	F433-F493 AromaticContact CE1-CE1 3.87Å; F433-F493 HydrophobicContact CE1-CE1 3.87Å; F433-F493 HydrophobicContact CZ-CE1 4.28Å; F447-F493 HydrophobicContact CB-CD1 3.89Å; F447-F493 HydrophobicContact CB-CE1 4.12Å; F447-F493 HydrophobicContact CD2-CD1 4.04Å; F447-F493 AromaticContact CD2-CE1 3.52Å; F447-F493 HydrophobicContact CD2-CE1 3.52Å; F447-F493 AromaticContact CD2-CZ 3.88Å; F447-F493 HydrophobicContact CD2-CZ 3.88Å; F447-F493 HydrophobicContact CE2-CE1 4.21Å; F447-F493 HydrophobicContact CE2-CZ 4.26Å; F447-F493 HydrophobicContact CG-CD1 4.29Å; F447-F493 HydrophobicContact CG-CE1 4.01Å; F449-F493 HydrophobicContact CD2-CD1 4.44Å; F449-F493 AromaticContact CE2-CD1 3.91Å; F449-F493 HydrophobicContact CE2-CD1 3.91Å; F449-F493 HydrophobicContact CE2-CE1 4.36Å; V481-F493 HydrophobicContact CB-CZ 4.47Å; V481-F493 HydrophobicContact CG1-CE1 4.37Å; V481-F493 HydrophobicContact CG1-CE2 4.08Å; V481-F493 HydrophobicContact CG1-CZ 3.58Å; V481-F493 HydrophobicContact CG2-CE1 3.96Å; V481-F493 HydrophobicContact CG2-CZ 4Å; A491-F493 HydrophobicContact CB-CE2 3.81Å; A491-F493 HydrophobicContact CB-CZ 3.99Å; F493-F495 HydrophobicContact CB-CE2 3.9Å; F493-F495 HydrophobicContact CB-CZ 4.29Å; F493-F521 HydrophobicContact CB-CE1 3.77Å; F493-F521 HydrophobicContact CB-CZ 3.92Å; F493-F521 HydrophobicContact CD1-CE1 4.43Å; F493-F521 AromaticContact CD1-CZ 3.7Å; F493-F521 HydrophobicContact CD1-CZ 3.7Å; F493-F521 HydrophobicContact CD2-CE1 4.32Å; F493-F521 AromaticContact CD2-CZ 4Å; F493-F521 HydrophobicContact CD2-CZ 4Å; F493-F521 HydrophobicContact CE1-CZ 4.22Å; F493-F521 HydrophobicContact CE2-CZ 4.48Å; F493-F521 AromaticContact CG-CE1 3.92Å; F493-F521 HydrophobicContact CG-CE1 3.92Å; F493-F521 AromaticContact CG-CZ 3.58Å; F493-F521 HydrophobicContact CG-CZ 3.58Å; F493-V525 HydrophobicContact CD2-CB 4.18Å; F493-V525 HydrophobicContact CD2-CG1 4.14Å; F493-V525 HydrophobicContact CD2-CG2 4.23Å; F493-V525 HydrophobicContact CE2-CB 4.24Å; F493-V525 HydrophobicContact CE2-CG1 3.91Å; F493-H527 PolarHBondContact N-O 2.84Å; F493-C528 WeakPolarHBondContact O-CA 3.32Å; F493-I529 PolarHBondContact O-N 3.2Å
494	I	98.6	Very high	94.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.4	-179.3	-58.3	160.2	0	0	0	107.6	I219 F446 F447 V448 F449 V496 I529 A531 I537	I219-I494 HydrophobicContact CD1-CD1 3.39Å; I219-I494 HydrophobicContact CD1-CG1 3.68Å; I219-I494 HydrophobicContact CD1-CG2 4.43Å; F446-I494 HydrophobicContact CB-CD1 4.5Å; F446-I494 HydrophobicContact CD1-CD1 3.97Å; F447-I494 PolarHBondContact O-N 3.25Å; V448-I494 HydrophobicContact CG2-CB 4.38Å; V448-I494 HydrophobicContact CG2-CD1 3.98Å; F449-I494 PolarHBondContact N-O 2.8Å; I494-V496 HydrophobicContact CG2-CG2 4.35Å; I494-I529 WeakPolarHBondContact CA-O 3.41Å; I494-I529 HydrophobicContact CG1-CB 4.22Å; I494-I529 HydrophobicContact CG1-CD1 4.27Å; I494-A531 HydrophobicContact CG2-CB 4.13Å; I494-I537 HydrophobicContact CD1-CD1 4Å
495	F	98.5	Very high	93.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.1	178	-64.7	-80.2	0	0	0	111.2	F449 F453 F474 L477 F493 L513 V518 F521 I529 L530 A531	F449-F495 HydrophobicContact CB-CD1 3.4Å; F449-F495 VanDerWaalsContact CB-CD1 3.4Å; F449-F495 HydrophobicContact CB-CE1 3.49Å; F449-F495 VanDerWaalsContact CB-CE1 3.49Å; F449-F495 HydrophobicContact CB-CG 4.39Å; F449-F495 HydrophobicContact CD1-CE1 4.33Å; F449-F495 HydrophobicContact CD2-CD1 4.5Å; F449-F495 AromaticContact CD2-CE1 3.83Å; F449-F495 HydrophobicContact CD2-CE1 3.83Å; F449-F495 HydrophobicContact CD2-CZ 4.21Å; F449-F495 HydrophobicContact CG-CD1 4.1Å; F449-F495 AromaticContact CG-CE1 3.63Å; F449-F495 HydrophobicContact CG-CE1 3.63Å; F449-F495 HydrophobicContact CG-CZ 4.45Å; F449-F495 CarbonylContact O-C 3.51Å; F449-F495 WeakPolarHBondContact O-CA 3.17Å; F453-F495 HydrophobicContact CE1-CD1 4.06Å; F453-F495 AromaticContact CZ-CD1 3.89Å; F453-F495 HydrophobicContact CZ-CD1 3.89Å; F474-F495 HydrophobicContact CD1-CE1 4.37Å; F474-F495 HydrophobicContact CD1-CZ 4.36Å; F474-F495 AromaticContact CE1-CD1 3.6Å; F474-F495 HydrophobicContact CE1-CD1 3.6Å; F474-F495 HydrophobicContact CE1-CD2 4.37Å; F474-F495 AromaticContact CE1-CE1 3.47Å; F474-F495 HydrophobicContact CE1-CE1 3.47Å; F474-F495 VanDerWaalsContact CE1-CE1 3.47Å; F474-F495 HydrophobicContact CE1-CE2 4.24Å; F474-F495 HydrophobicContact CE1-CG 4.07Å; F474-F495 AromaticContact CE1-CZ 3.8Å; F474-F495 HydrophobicContact CE1-CZ 3.8Å; F474-F495 AromaticContact CZ-CD1 4Å; F474-F495 HydrophobicContact CZ-CD1 4Å; F474-F495 HydrophobicContact CZ-CE1 4.24Å; F474-F495 HydrophobicContact CZ-CG 4.5Å; L477-F495 HydrophobicContact CD2-CE1 3.96Å; L477-F495 HydrophobicContact CD2-CZ 3.96Å; F493-F495 HydrophobicContact CB-CE2 3.9Å; F493-F495 HydrophobicContact CB-CZ 4.29Å; F495-L513 HydrophobicContact CB-CD1 4.1Å; F495-V518 HydrophobicContact CD2-CG1 4.27Å; F495-V518 HydrophobicContact CE2-CG1 4.3Å; F495-F521 AromaticContact CE2-CD1 3.69Å; F495-F521 HydrophobicContact CE2-CD1 3.69Å; F495-F521 AromaticContact CE2-CE1 3.47Å; F495-F521 HydrophobicContact CE2-CE1 3.47Å; F495-F521 VanDerWaalsContact CE2-CE1 3.47Å; F495-F521 HydrophobicContact CE2-CZ 4.17Å; F495-F521 AromaticContact CZ-CD1 3.97Å; F495-F521 HydrophobicContact CZ-CD1 3.97Å; F495-F521 AromaticContact CZ-CE1 3.69Å; F495-F521 HydrophobicContact CZ-CE1 3.69Å; F495-F521 HydrophobicContact CZ-CE2 4.39Å; F495-F521 HydrophobicContact CZ-CG 4.43Å; F495-F521 AromaticContact CZ-CZ 3.94Å; F495-F521 HydrophobicContact CZ-CZ 3.94Å; F495-I529 PolarHBondContact N-O 3.12Å; F495-L530 HydrophobicContact CB-CD2 4.13Å; F495-L530 HydrophobicContact CD2-CD2 4.1Å; F495-A531 PolarHBondContact O-N 2.94Å
496	V	98.2	Very high	93.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	179.1	-178.2	0	0	0	0	109	V448 F449 T450 G451 I494 A531 N533 V546 R548	V448-V496 HydrophobicContact CG1-CG2 4.45Å; F449-V496 PolarHBondContact O-N 3.46Å; T450-V496 VanDerWaalsContact CA-O 3.32Å; T450-V496 WeakPolarHBondContact CA-O 3.11Å; T450-V496 HydrophobicContact CG2-CB 3.84Å; T450-V496 HydrophobicContact CG2-CG1 4.46Å; T450-V496 HydrophobicContact CG2-CG2 4.22Å; G451-V496 PolarHBondContact N-O 3.37Å; I494-V496 HydrophobicContact CG2-CG2 4.35Å; V496-A531 HydrophobicContact CG2-CB 4.36Å; V496-N533 HydrophobicContact CG1-CB 3.54Å; V496-V546 HydrophobicContact CG2-CG1 4.18Å; V496-R548 HydrophobicContact CG1-CB 4.31Å
497	P	96.8	Very high	93.4	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.026	14%	0.144	C	C	.	.			trans	-78.6	150.3	-174.8	28.1	-30.8	0	0	0	113.1	D501 R510 M511 L513 A531 N533	P497-D501 HydrophobicContact CB-CB 4.21Å; P497-R510 HydrophobicContact CG-CB 4.36Å; P497-M511 WeakPolarHBondContact CG-O 3.28Å; P497-L513 HydrophobicContact CB-CD2 3.89Å; P497-L513 HydrophobicContact CB-CG 4.17Å; P497-A531 WeakPolarHBondContact CD-O 3.3Å; P497-N533 HydrophobicContact CG-CB 4.34Å; P497-N533 WeakPolarHBondContact O-CB 3.37Å; P497-N533 PolarHBondContact O-ND2 3.37Å
498	S	95.3	Very high	93.4	Very high	4 Å²	4	26 Å²	26	3%	0.028	14%	0.142	C	C	.	.			trans	-93.4	176.3	167.4	71.1	0	0	0	0	111.9	E452 Q500 D501	E452-S498 WeakPolarHBondContact CG-OG 3.39Å; S498-Q500 PolarHBondContact O-N 2.95Å; S498-Q500 PolarHBondContact OG-N 3.09Å; S498-D501 WeakPolarHBondContact CB-OD2 3.43Å; S498-D501 PolarHBondContact N-OD2 3.22Å; S498-D501 PolarHBondContact O-N 3.43Å; S498-D501 VanDerWaalsContact OG-CG 3.24Å; S498-D501 PolarHBondContact OG-N 3.37Å; S498-D501 PolarHBondContact OG-OD2 3.09Å
499	S	92.5	Very high	93.3	Very high	15 Å²	15	25.7 Å²	25.7	11%	0.105	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	172	47.4	0	0	0	0	113.8	T504 N505	S499-T504 WeakPolarHBondContact O-CA 3.49Å; S499-N505 VanDerWaalsContact CA-O 3.28Å; S499-N505 WeakPolarHBondContact CA-O 3.41Å; S499-N505 WeakPolarHBondContact CB-O 3.14Å; S499-N505 PolarHBondContact O-N 2.83Å
500	Q	90.8	Very high	93.3	Very high	50 Å²	50	20.4 Å²	20.4	23%	0.234	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	2.8	-179.3	-57.8	-61.1	-23.9	0	0	112	E452 Y457 K466 S498	E452-Q500 HydrophobicContact CB-CB 4.46Å; E452-Q500 HydrophobicContact CG-CB 3.89Å; E452-Q500 HydrophobicContact CG-CG 4.27Å; E452-Q500 WeakPolarHBondContact OE1-CG 3.32Å; Y457-Q500 HydrophobicContact CD1-CB 4.11Å; Y457-Q500 HydrophobicContact CD1-CG 4.03Å; Y457-Q500 HydrophobicContact CE1-CB 3.78Å; Y457-Q500 HydrophobicContact CE1-CG 3.54Å; K466-Q500 WeakPolarHBondContact CE-O 3.48Å; K466-Q500 PolarHBondContact NZ-O 2.95Å; S498-Q500 PolarHBondContact O-N 2.95Å; S498-Q500 PolarHBondContact OG-N 3.09Å
501	D	92	Very high	93.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	13%	0.126	C	C	.	.	S	Bend	trans	-93.2	152	171.1	-60	-52.9	0	0	0	111.1	G451 F453 P497 S498 P503 T504 L513	G451-D501 WeakPolarHBondContact CA-OD2 3.05Å; F453-D501 PolarHBondContact N-OD1 3.28Å; P497-D501 HydrophobicContact CB-CB 4.21Å; S498-D501 WeakPolarHBondContact CB-OD2 3.43Å; S498-D501 PolarHBondContact N-OD2 3.22Å; S498-D501 PolarHBondContact O-N 3.43Å; S498-D501 VanDerWaalsContact OG-CG 3.24Å; S498-D501 PolarHBondContact OG-N 3.37Å; S498-D501 PolarHBondContact OG-OD2 3.09Å; D501-P503 CarbonylContact O-C 3.6Å; D501-T504 WeakPolarHBondContact O-CA 3.43Å; D501-T504 PolarHBondContact O-N 3.47Å; D501-L513 HydrophobicContact CB-CD2 3.74Å
502	P	84.8	Confident	93.2	Very high	18 Å²	18	24.6 Å²	24.6	12%	0.117	14%	0.138	C	C	.	.	S	Bend	trans	-64.3	135.5	176.9	-22.4	33.8	0	0	0	112.8	K466 L467 N470	K466-P502 HydrophobicContact CD-CG 4.25Å; K466-P502 HydrophobicContact CG-CG 4.06Å; L467-P502 HydrophobicContact CD1-CB 4.13Å; L467-P502 HydrophobicContact CD1-CG 4.44Å; N470-P502 WeakPolarHBondContact ND2-CD 3.38Å
503	P	81.7	Confident	93	Very high	83 Å²	83	24.2 Å²	24.2	54%	0.539	14%	0.137	S	C	.	.	S	Bend	cis	-75.5	126.1	-6.5	30.7	-32.6	0	0	0	111.5	D501 N505	D501-P503 CarbonylContact O-C 3.6Å; P503-N505 PolarHBondContact O-N 3.37Å; P503-N505 PolarHBondContact O-ND2 3.5Å
504	T	82.8	Confident	92.7	Very high	49 Å²	49	26 Å²	26	30%	0.301	15%	0.152	S	C	.	.			trans	-68	107.9	-175.9	50.8	0	0	0	0	111.2	K466 S499 D501	K466-T504 HydrophobicContact CD-CG2 4.06Å; S499-T504 WeakPolarHBondContact O-CA 3.49Å; D501-T504 WeakPolarHBondContact O-CA 3.43Å; D501-T504 PolarHBondContact O-N 3.47Å
505	N	86.9	Confident	92.5	Very high	50 Å²	50	29.3 Å²	29.3	27%	0.267	18%	0.175	S	C	.	.			trans	-153.7	154.3	176.2	71.1	79.8	0	0	0	110.1	S499 P503 L507 R510	S499-N505 VanDerWaalsContact CA-O 3.28Å; S499-N505 WeakPolarHBondContact CA-O 3.41Å; S499-N505 WeakPolarHBondContact CB-O 3.14Å; S499-N505 PolarHBondContact O-N 2.83Å; P503-N505 PolarHBondContact O-N 3.37Å; P503-N505 PolarHBondContact O-ND2 3.5Å; N505-L507 WeakPolarHBondContact OD1-CB 3.36Å; N505-L507 PolarHBondContact OD1-N 3.2Å; N505-L507 VanDerWaalsContact OD1-N 3.08Å; N505-L507 PolarHBondContact OD1-O 2.65Å; N505-R510 PolarHBondContact O-NE 3.15Å
506	D	90.2	Very high	92.2	Very high	58 Å²	58	33 Å²	33	31%	0.31	20%	0.201	S	C	.	.			trans	-95.7	8.6	178.4	-155.4	20	0	0	0	113.5	R510 Q549 K554 P592	D506-R510 IonicContact OD1-NH2 3.86Å; D506-R510 PolarHBondContact OD1-NH2 2.91Å; D506-Q549 PolarHBondContact OD1-NE2 3.47Å; D506-K554 IonicContact OD1-NZ 3.72Å; D506-K554 PolarHBondContact OD1-NZ 3.19Å; D506-K554 IonicContact OD2-NZ 2.88Å; D506-K554 PolarHBondContact OD2-NZ 3.33Å; D506-P592 HydrophobicContact CB-CG 4.44Å
507	L	93.8	Very high	92	Very high	56 Å²	56	33.1 Å²	33.1	29%	0.293	20%	0.202	S	C	.	.			trans	-75.8	138.5	-179.3	-69.3	164.4	0	0	0	111	N505 R510 P592 Y594	N505-L507 WeakPolarHBondContact OD1-CB 3.36Å; N505-L507 PolarHBondContact OD1-N 3.2Å; N505-L507 VanDerWaalsContact OD1-N 3.08Å; N505-L507 PolarHBondContact OD1-O 2.65Å; L507-R510 WeakPolarHBondContact O-CG 3.42Å; L507-P592 WeakPolarHBondContact CA-O 3.45Å; L507-P592 HydrophobicContact CD2-CB 3.73Å; L507-P592 HydrophobicContact CD2-CG 4.05Å; L507-Y594 HydrophobicContact CB-CD2 4.42Å; L507-Y594 HydrophobicContact CB-CE2 3.87Å; L507-Y594 HydrophobicContact CD1-CE1 4.16Å; L507-Y594 HydrophobicContact CD1-CE2 4.39Å
508	L	96.2	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-111.1	149.6	171.1	-63.8	170.2	0	0	0	111.7	R510 F547 A584 P592 V593 Y594 L601	L508-R510 HydrophobicContact CD2-CG 4.27Å; L508-F547 HydrophobicContact CD1-CE2 3.89Å; L508-F547 HydrophobicContact CD1-CZ 3.92Å; L508-F547 HydrophobicContact CD2-CE2 3.95Å; L508-A584 HydrophobicContact CD1-CB 3.91Å; L508-P592 PolarHBondContact N-O 3.26Å; L508-V593 HydrophobicContact CB-CG1 4.23Å; L508-V593 CarbonylContact O-C 3.49Å; L508-V593 WeakPolarHBondContact O-CA 3.3Å; L508-Y594 WeakPolarHBondContact O-CD2 3.5Å; L508-Y594 PolarHBondContact O-N 3.46Å; L508-L601 HydrophobicContact CB-CD1 4.49Å; L508-L601 HydrophobicContact CB-CD2 3.93Å; L508-L601 HydrophobicContact CD1-CD2 3.82Å; L508-L601 HydrophobicContact CG-CD2 4.47Å
509	P	95.8	Very high	92	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.216	C	C	.	.	S	Bend	cis	-65	148.8	-14.9	31	-38.7	0	0	0	111.7	A222 M511 N533 L597	A222-P509 HydrophobicContact CB-CB 3.32Å; A222-P509 HydrophobicContact CB-CG 3.45Å; A222-P509 VanDerWaalsContact CB-CG 3.45Å; P509-M511 HydrophobicContact CG-CE 4.38Å; P509-N533 CarbonylContact C-O 3.54Å; P509-N533 VanDerWaalsContact CA-O 3.23Å; P509-N533 WeakPolarHBondContact CA-O 3.49Å; P509-L597 HydrophobicContact CG-CB 3.9Å; P509-L597 HydrophobicContact CG-CD1 3.9Å
510	R	95.6	Very high	92.2	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.019	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-87.2	137.5	173.9	-59.6	173.6	-171.3	111.4	-1.3	110.1	P497 N505 D506 L507 L508 T532 N533 R548 Q549	P497-R510 HydrophobicContact CG-CB 4.36Å; N505-R510 PolarHBondContact O-NE 3.15Å; D506-R510 IonicContact OD1-NH2 3.86Å; D506-R510 PolarHBondContact OD1-NH2 2.91Å; L507-R510 WeakPolarHBondContact O-CG 3.42Å; L508-R510 HydrophobicContact CD2-CG 4.27Å; R510-T532 CarbonylContact O-C 3.58Å; R510-T532 WeakPolarHBondContact O-CA 3.49Å; R510-T532 VanDerWaalsContact O-CB 3.24Å; R510-T532 WeakPolarHBondContact O-CB 3.21Å; R510-N533 HydrophobicContact CB-CB 4.15Å; R510-N533 PolarHBondContact N-O 3.2Å; R510-N533 PolarHBondContact NH1-ND2 3.36Å; R510-N533 PolarHBondContact O-N 3.39Å; R510-R548 PolarHBondContact NH1-O 3.23Å; R510-R548 VanDerWaalsContact NH1-O 3.1Å; R510-Q549 VanDerWaalsContact NH2-NE2 3.19Å
511	M	94	Very high	92.6	Very high	70 Å²	70	35 Å²	35	35%	0.345	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-69.1	153.9	175.8	-62.7	-58.4	117.7	0	0	111	P497 P509 L597	P497-M511 WeakPolarHBondContact CG-O 3.28Å; P509-M511 HydrophobicContact CG-CE 4.38Å; M511-L597 HydrophobicContact CE-CD1 4.46Å
512	P	95.7	Very high	92.8	Very high	39 Å²	39	40.9 Å²	40.9	25%	0.253	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-57.3	158.4	178.7	-19.8	31	0	0	0	112.8	A514 L530 A531 T532	P512-A514 PolarHBondContact O-N 2.85Å; P512-L530 HydrophobicContact CB-CB 3.82Å; P512-A531 WeakPolarHBondContact CA-O 3.41Å; P512-T532 HydrophobicContact CG-CG2 4.13Å
513	L	94.4	Very high	93.4	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-53.3	141.3	172.4	-66.9	173.9	0	0	0	111	F453 F474 F495 P497 D501 S515 V518 L530	F453-L513 HydrophobicContact CD2-CD1 3.96Å; F453-L513 HydrophobicContact CD2-CD2 4.38Å; F453-L513 HydrophobicContact CE2-CD1 3.67Å; F453-L513 HydrophobicContact CE2-CD2 4.48Å; F453-L513 HydrophobicContact CE2-CG 4.45Å; F453-L513 HydrophobicContact CZ-CD1 4.46Å; F474-L513 HydrophobicContact CE1-CD1 4.48Å; F474-L513 HydrophobicContact CE2-CD1 4Å; F474-L513 HydrophobicContact CZ-CD1 3.54Å; F495-L513 HydrophobicContact CB-CD1 4.1Å; P497-L513 HydrophobicContact CB-CD2 3.89Å; P497-L513 HydrophobicContact CB-CG 4.17Å; D501-L513 HydrophobicContact CB-CD2 3.74Å; L513-S515 PolarHBondContact O-N 3.33Å; L513-V518 HydrophobicContact CB-CG2 3.88Å; L513-V518 HydrophobicContact CD1-CG2 3.81Å; L513-L530 WeakPolarHBondContact O-CD1 3.36Å
514	A	92.6	Very high	94.2	Very high	38 Å²	38	48 Å²	48	31%	0.314	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-58.3	132.1	176.2	0	0	0	0	0	110.6	P512 S516 V517	P512-A514 PolarHBondContact O-N 2.85Å; A514-S516 PolarHBondContact O-N 2.89Å; A514-S516 VanDerWaalsContact O-N 3.09Å; A514-V517 HydrophobicContact CB-CG2 4.16Å; A514-V517 VanDerWaalsContact O-CB 3.31Å; A514-V517 WeakPolarHBondContact O-CB 3.43Å; A514-V517 PolarHBondContact O-N 3.44Å
515	S	94.1	Very high	94.9	Very high	70 Å²	70	46.3 Å²	46.3	49%	0.49	24%	0.244	S	C	.	.	H	α-helix	trans	-56.8	-33.5	-176.7	-52	0	0	0	0	112.6	L513 V517 V518 E519	L513-S515 PolarHBondContact O-N 3.33Å; S515-V517 PolarHBondContact O-N 3.19Å; S515-V518 PolarHBondContact O-N 2.84Å; S515-E519 VanDerWaalsContact O-CB 3.29Å; S515-E519 WeakPolarHBondContact O-CB 3.36Å; S515-E519 PolarHBondContact O-N 3.24Å
516	S	92.6	Very high	95.4	Very high	78 Å²	78	48.2 Å²	48.2	55%	0.545	26%	0.257	S	S	.	.	H	α-helix	trans	-58.9	-29.3	175.7	54	0	0	0	0	114.1	A514	A514-S516 PolarHBondContact O-N 2.89Å; A514-S516 VanDerWaalsContact O-N 3.09Å
517	V	93	Very high	95.7	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-75	-42.3	178.5	176.5	0	0	0	0	111.1	L467 N470 A471 F474 A514 S515 P520	L467-V517 HydrophobicContact CD1-CG2 3.17Å; L467-V517 HydrophobicContact CG-CG2 3.84Å; N470-V517 HydrophobicContact CB-CG1 3.42Å; N470-V517 VanDerWaalsContact CB-CG1 3.42Å; A471-V517 WeakPolarHBondContact CA-O 3.25Å; F474-V517 HydrophobicContact CD2-CG1 3.73Å; F474-V517 HydrophobicContact CE2-CG1 3.92Å; A514-V517 HydrophobicContact CB-CG2 4.16Å; A514-V517 VanDerWaalsContact O-CB 3.31Å; A514-V517 WeakPolarHBondContact O-CB 3.43Å; A514-V517 PolarHBondContact O-N 3.44Å; S515-V517 PolarHBondContact O-N 3.19Å; V517-P520 WeakPolarHBondContact O-CD 3.13Å
518	V	96	Very high	95.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.243	C	C	.	.	H	α-helix	trans	-92.8	-11.9	-174.1	-168.9	0	0	0	0	112.2	F474 F495 L513 S515 P520 F521 R522 L530	F474-V518 HydrophobicContact CD1-CB 4.36Å; F474-V518 HydrophobicContact CD1-CG1 3.82Å; F474-V518 HydrophobicContact CD1-CG2 4.23Å; F474-V518 HydrophobicContact CD2-CG2 4.42Å; F474-V518 HydrophobicContact CE1-CB 4.46Å; F474-V518 HydrophobicContact CE1-CG1 3.93Å; F474-V518 HydrophobicContact CE1-CG2 3.95Å; F474-V518 HydrophobicContact CE2-CG2 4.21Å; F474-V518 HydrophobicContact CG-CG2 4.46Å; F474-V518 HydrophobicContact CZ-CG2 3.97Å; F495-V518 HydrophobicContact CD2-CG1 4.27Å; F495-V518 HydrophobicContact CE2-CG1 4.3Å; L513-V518 HydrophobicContact CB-CG2 3.88Å; L513-V518 HydrophobicContact CD1-CG2 3.81Å; S515-V518 PolarHBondContact O-N 2.84Å; V518-P520 VanDerWaalsContact C-N 3.33Å; V518-F521 HydrophobicContact CG1-CB 4.11Å; V518-F521 HydrophobicContact CG1-CD1 4.17Å; V518-F521 WeakPolarHBondContact O-CA 3.45Å; V518-F521 WeakPolarHBondContact O-CB 3.47Å; V518-F521 PolarHBondContact O-N 3.29Å; V518-R522 PolarHBondContact O-N 3.03Å; V518-L530 HydrophobicContact CB-CD1 4.42Å; V518-L530 HydrophobicContact CB-CD2 3.96Å; V518-L530 HydrophobicContact CG1-CD2 3.84Å; V518-L530 HydrophobicContact CG2-CD1 4.44Å; V518-L530 HydrophobicContact CG2-CD2 3.79Å
519	E	96.8	Very high	95.9	Very high	73 Å²	73	47.8 Å²	47.8	34%	0.341	25%	0.254	S	S	.	.	H	α-helix	trans	-50.1	-41.1	-179.9	-172.3	62.9	-168.2	0	0	114.5	S515 F521 R522 K523	S515-E519 VanDerWaalsContact O-CB 3.29Å; S515-E519 WeakPolarHBondContact O-CB 3.36Å; S515-E519 PolarHBondContact O-N 3.24Å; E519-F521 VanDerWaalsContact C-N 3.29Å; E519-F521 PolarHBondContact O-N 3.13Å; E519-R522 PolarHBondContact O-N 3.46Å; E519-K523 WeakPolarHBondContact O-CG 3.33Å; E519-K523 PolarHBondContact O-N 3.02Å; E519-K523 VanDerWaalsContact O-N 3.15Å; E519-K523 WeakPolarHBondContact OE1-CE 3.43Å
520	P	96.9	Very high	96	Very high	36 Å²	36	49.2 Å²	49.2	23%	0.234	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-35.6	175.4	-23.3	35.7	0	0	0	113.7	A471 K475 V517 V518	A471-P520 HydrophobicContact CB-CG 4.42Å; K475-P520 HydrophobicContact CB-CB 3.68Å; K475-P520 HydrophobicContact CG-CB 4.25Å; V517-P520 WeakPolarHBondContact O-CD 3.13Å; V518-P520 VanDerWaalsContact C-N 3.33Å
521	F	98.1	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-73	-47.4	174.5	177.7	-94.8	0	0	0	110.9	F474 L477 G478 V481 F493 F495 V518 E519 K523 K524 V525 C528	F474-F521 HydrophobicContact CB-CB 4.05Å; F474-F521 HydrophobicContact CD1-CB 3.94Å; F474-F521 HydrophobicContact CD1-CG 4.33Å; F474-F521 HydrophobicContact CG-CB 4.49Å; F474-F521 WeakPolarHBondContact O-CB 3.34Å; L477-F521 HydrophobicContact CB-CD2 4.09Å; L477-F521 HydrophobicContact CB-CE2 4.44Å; L477-F521 HydrophobicContact CD2-CD2 3.94Å; L477-F521 HydrophobicContact CD2-CE2 3.89Å; L477-F521 HydrophobicContact CG-CD2 3.84Å; L477-F521 HydrophobicContact CG-CE2 3.73Å; G478-F521 VanDerWaalsContact CA-CD2 3.44Å; V481-F521 HydrophobicContact CG2-CE2 4.08Å; F493-F521 HydrophobicContact CB-CE1 3.77Å; F493-F521 HydrophobicContact CB-CZ 3.92Å; F493-F521 HydrophobicContact CD1-CE1 4.43Å; F493-F521 AromaticContact CD1-CZ 3.7Å; F493-F521 HydrophobicContact CD1-CZ 3.7Å; F493-F521 HydrophobicContact CD2-CE1 4.32Å; F493-F521 AromaticContact CD2-CZ 4Å; F493-F521 HydrophobicContact CD2-CZ 4Å; F493-F521 HydrophobicContact CE1-CZ 4.22Å; F493-F521 HydrophobicContact CE2-CZ 4.48Å; F493-F521 AromaticContact CG-CE1 3.92Å; F493-F521 HydrophobicContact CG-CE1 3.92Å; F493-F521 AromaticContact CG-CZ 3.58Å; F493-F521 HydrophobicContact CG-CZ 3.58Å; F495-F521 AromaticContact CE2-CD1 3.69Å; F495-F521 HydrophobicContact CE2-CD1 3.69Å; F495-F521 AromaticContact CE2-CE1 3.47Å; F495-F521 HydrophobicContact CE2-CE1 3.47Å; F495-F521 VanDerWaalsContact CE2-CE1 3.47Å; F495-F521 HydrophobicContact CE2-CZ 4.17Å; F495-F521 AromaticContact CZ-CD1 3.97Å; F495-F521 HydrophobicContact CZ-CD1 3.97Å; F495-F521 AromaticContact CZ-CE1 3.69Å; F495-F521 HydrophobicContact CZ-CE1 3.69Å; F495-F521 HydrophobicContact CZ-CE2 4.39Å; F495-F521 HydrophobicContact CZ-CG 4.43Å; F495-F521 AromaticContact CZ-CZ 3.94Å; F495-F521 HydrophobicContact CZ-CZ 3.94Å; V518-F521 HydrophobicContact CG1-CB 4.11Å; V518-F521 HydrophobicContact CG1-CD1 4.17Å; V518-F521 WeakPolarHBondContact O-CA 3.45Å; V518-F521 WeakPolarHBondContact O-CB 3.47Å; V518-F521 PolarHBondContact O-N 3.29Å; E519-F521 VanDerWaalsContact C-N 3.29Å; E519-F521 PolarHBondContact O-N 3.13Å; F521-K523 PolarHBondContact O-N 3.23Å; F521-K523 VanDerWaalsContact O-N 3.13Å; F521-K524 WeakPolarHBondContact O-CB 3.34Å; F521-K524 PolarHBondContact O-N 2.66Å; F521-V525 HydrophobicContact CD1-CG2 3.94Å; F521-V525 HydrophobicContact CE1-CB 4.42Å; F521-V525 HydrophobicContact CE1-CG1 4.14Å; F521-V525 HydrophobicContact CE1-CG2 3.42Å; F521-V525 VanDerWaalsContact CE1-CG2 3.42Å; F521-V525 HydrophobicContact CE2-CG1 4.2Å; F521-V525 HydrophobicContact CZ-CB 4.47Å; F521-V525 HydrophobicContact CZ-CG1 3.75Å; F521-V525 HydrophobicContact CZ-CG2 3.92Å; F521-C528 HydrophobicContact CD1-CB 4.41Å; F521-C528 HydrophobicContact CE1-CB 4.32Å
522	R	97.3	Very high	96.2	Very high	126 Å²	126	45.7 Å²	45.7	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-56.5	-31.9	-178.2	-171.1	174.7	-170.5	158.1	5.7	113	V518 E519 K524 V525 C528	V518-R522 PolarHBondContact O-N 3.03Å; E519-R522 PolarHBondContact O-N 3.46Å; R522-K524 PolarHBondContact O-N 2.92Å; R522-V525 VanDerWaalsContact O-O 3.06Å; R522-C528 HydrophobicContact CB-CB 4.43Å; R522-C528 HydrophobicContact CG-CB 4.14Å
523	K	97.7	Very high	96.3	Very high	152 Å²	152	43.8 Å²	43.8	66%	0.661	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-11.3	174.9	-73.8	174.1	-179.5	172.9	0	114.7	E519 F521	E519-K523 WeakPolarHBondContact O-CG 3.33Å; E519-K523 PolarHBondContact O-N 3.02Å; E519-K523 VanDerWaalsContact O-N 3.15Å; E519-K523 WeakPolarHBondContact OE1-CE 3.43Å; F521-K523 PolarHBondContact O-N 3.23Å; F521-K523 VanDerWaalsContact O-N 3.13Å
524	K	97.6	Very high	96.5	Very high	99 Å²	99	43.6 Å²	43.6	43%	0.43	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-11.4	-174.5	-63.3	-62.3	-173.3	175.1	0	114.1	F521 R522	F521-K524 WeakPolarHBondContact O-CB 3.34Å; F521-K524 PolarHBondContact O-N 2.66Å; R522-K524 PolarHBondContact O-N 2.92Å
525	V	97.5	Very high	96.7	Very high	14 Å²	14	41.8 Å²	41.8	9%	0.085	22%	0.216	C	C	.	.			trans	-131.6	153.8	-177.6	-58.7	0	0	0	0	110.8	V481 A488 F493 F521 R522 C528	V481-V525 HydrophobicContact CB-CG1 4.33Å; V481-V525 HydrophobicContact CG1-CG1 3.76Å; A488-V525 HydrophobicContact CB-CG1 4.44Å; A488-V525 WeakPolarHBondContact O-CA 3.4Å; F493-V525 HydrophobicContact CD2-CB 4.18Å; F493-V525 HydrophobicContact CD2-CG1 4.14Å; F493-V525 HydrophobicContact CD2-CG2 4.23Å; F493-V525 HydrophobicContact CE2-CB 4.24Å; F493-V525 HydrophobicContact CE2-CG1 3.91Å; F521-V525 HydrophobicContact CD1-CG2 3.94Å; F521-V525 HydrophobicContact CE1-CB 4.42Å; F521-V525 HydrophobicContact CE1-CG1 4.14Å; F521-V525 HydrophobicContact CE1-CG2 3.42Å; F521-V525 VanDerWaalsContact CE1-CG2 3.42Å; F521-V525 HydrophobicContact CE2-CG1 4.2Å; F521-V525 HydrophobicContact CZ-CB 4.47Å; F521-V525 HydrophobicContact CZ-CG1 3.75Å; F521-V525 HydrophobicContact CZ-CG2 3.92Å; R522-V525 VanDerWaalsContact O-O 3.06Å; V525-C528 HydrophobicContact CG2-CB 3.89Å
526	T	96.6	Very high	96.7	Very high	90 Å²	90	39.1 Å²	39.1	55%	0.552	20%	0.196	S	C	*	.	S	Bend	trans	-76.9	-44.4	179.2	-56	0	0	0	0	111.9	A488 K489	A488-T526 PolarHBondContact O-N 3.38Å; K489-T526 WeakPolarHBondContact CA-OG1 3.41Å; K489-T526 WeakPolarHBondContact O-CB 3.18Å; K489-T526 PolarHBondContact O-OG1 2.96Å
527	H	96.7	Very high	96.9	Very high	45 Å²	45	35.5 Å²	35.5	21%	0.208	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	96.3	-171.7	-55.2	-86.6	0	0	0	111.5	D214 K489 R492 F493	D214-H527 IonicContact OD2-CE1 2.74Å; D214-H527 PolarHBondContact OD2-CE1 2.85Å; D214-H527 IonicContact OD2-ND1 3.17Å; K489-H527 PolarHBondContact O-CD2 2.76Å; R492-H527 HydrophobicContact CB-CB 4.38Å; R492-H527 HydrophobicContact CG-CB 3.7Å; F493-H527 PolarHBondContact N-O 2.84Å
528	C	97.9	Very high	96.9	Very high	15 Å²	15	36 Å²	36	10%	0.101	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.6	176.1	178.8	0	0	0	0	109.9	F493 F521 R522 V525	F493-C528 WeakPolarHBondContact O-CA 3.32Å; F521-C528 HydrophobicContact CD1-CB 4.41Å; F521-C528 HydrophobicContact CE1-CB 4.32Å; R522-C528 HydrophobicContact CB-CB 4.43Å; R522-C528 HydrophobicContact CG-CB 4.14Å; V525-C528 HydrophobicContact CG2-CB 3.89Å
529	I	97.5	Very high	96.9	Very high	45 Å²	45	35.9 Å²	35.9	23%	0.231	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.5	-175.1	-53.8	171.3	0	0	0	108.5	F217 I219 F493 I494 F495	F217-I529 HydrophobicContact CE2-CD1 4Å; F217-I529 HydrophobicContact CZ-CD1 4.37Å; I219-I529 HydrophobicContact CD1-CD1 3.66Å; I219-I529 HydrophobicContact CD1-CG2 4.08Å; F493-I529 PolarHBondContact O-N 3.2Å; I494-I529 WeakPolarHBondContact CA-O 3.41Å; I494-I529 HydrophobicContact CG1-CB 4.22Å; I494-I529 HydrophobicContact CG1-CD1 4.27Å; F495-I529 PolarHBondContact N-O 3.12Å
530	L	97.9	Very high	96.6	Very high	29 Å²	29	32.4 Å²	32.4	15%	0.152	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115.8	175.9	-51.5	-178	0	0	0	107.1	F495 P512 L513 V518	F495-L530 HydrophobicContact CB-CD2 4.13Å; F495-L530 HydrophobicContact CD2-CD2 4.1Å; P512-L530 HydrophobicContact CB-CB 3.82Å; L513-L530 WeakPolarHBondContact O-CD1 3.36Å; V518-L530 HydrophobicContact CB-CD1 4.42Å; V518-L530 HydrophobicContact CB-CD2 3.96Å; V518-L530 HydrophobicContact CG1-CD2 3.84Å; V518-L530 HydrophobicContact CG2-CD1 4.44Å; V518-L530 HydrophobicContact CG2-CD2 3.79Å
531	A	97.3	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.			trans	-113.1	156.6	-174.3	0	0	0	0	0	111.7	I219 N221 I494 F495 V496 P497 P512 C535	I219-A531 HydrophobicContact CG2-CB 4.26Å; N221-A531 WeakPolarHBondContact OD1-CA 3.5Å; I494-A531 HydrophobicContact CG2-CB 4.13Å; F495-A531 PolarHBondContact O-N 2.94Å; V496-A531 HydrophobicContact CG2-CB 4.36Å; P497-A531 WeakPolarHBondContact CD-O 3.3Å; P512-A531 WeakPolarHBondContact CA-O 3.41Å; A531-C535 HydrophobicContact CB-CB 3.7Å
532	T	96.9	Very high	96.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	15%	0.151	C	C	.	.			trans	-66.7	168.6	169.3	52.9	0	0	0	0	111.3	N221 A222 R510 P512 P534 C535	N221-T532 WeakPolarHBondContact CA-OG1 3.49Å; N221-T532 HydrophobicContact CB-CG2 3.7Å; N221-T532 PolarHBondContact OD1-N 2.89Å; A222-T532 HydrophobicContact CB-CG2 4.2Å; A222-T532 PolarHBondContact N-OG1 2.85Å; R510-T532 CarbonylContact O-C 3.58Å; R510-T532 WeakPolarHBondContact O-CA 3.49Å; R510-T532 VanDerWaalsContact O-CB 3.24Å; R510-T532 WeakPolarHBondContact O-CB 3.21Å; P512-T532 HydrophobicContact CG-CG2 4.13Å; T532-P534 CarbonylContact C-O 3.26Å; T532-P534 WeakPolarHBondContact CB-O 3.1Å; T532-P534 CarbonylContact O-C 3.48Å; T532-P534 PolarHBondContact OG1-O 3.42Å; T532-C535 WeakPolarHBondContact O-CB 3.5Å; T532-C535 PolarHBondContact O-N 2.95Å
533	N	97.7	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-121.4	113.9	168	176.7	16.4	0	0	0	110.5	V496 P497 P509 R510 F547 R548	V496-N533 HydrophobicContact CG1-CB 3.54Å; P497-N533 HydrophobicContact CG-CB 4.34Å; P497-N533 WeakPolarHBondContact O-CB 3.37Å; P497-N533 PolarHBondContact O-ND2 3.37Å; P509-N533 CarbonylContact C-O 3.54Å; P509-N533 VanDerWaalsContact CA-O 3.23Å; P509-N533 WeakPolarHBondContact CA-O 3.49Å; R510-N533 HydrophobicContact CB-CB 4.15Å; R510-N533 PolarHBondContact N-O 3.2Å; R510-N533 PolarHBondContact NH1-ND2 3.36Å; R510-N533 PolarHBondContact O-N 3.39Å; N533-F547 WeakPolarHBondContact OD1-CD2 3.33Å; N533-R548 PolarHBondContact ND2-O 2.85Å; N533-R548 PolarHBondContact OD1-N 2.87Å
534	P	97.8	Very high	96	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.105	C	C	.	.	S	Bend	cis	-69.1	167.4	-1.4	31	-37.6	0	0	0	113	T532 V546 F547 L583 L601	T532-P534 CarbonylContact C-O 3.26Å; T532-P534 WeakPolarHBondContact CB-O 3.1Å; T532-P534 CarbonylContact O-C 3.48Å; T532-P534 PolarHBondContact OG1-O 3.42Å; P534-V546 CarbonylContact C-O 3.59Å; P534-V546 WeakPolarHBondContact CA-O 3.35Å; P534-V546 WeakPolarHBondContact CB-O 3.35Å; P534-F547 HydrophobicContact CB-CB 4.21Å; P534-F547 HydrophobicContact CB-CD2 3.96Å; P534-F547 HydrophobicContact CB-CG 4.49Å; P534-F547 HydrophobicContact CG-CD2 4.42Å; P534-L583 HydrophobicContact CB-CD1 3.59Å; P534-L583 HydrophobicContact CG-CD1 3.62Å; P534-L601 HydrophobicContact CG-CG 4.39Å
535	C	96.7	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.8	163.7	67	0	0	0	0	111	A531 T532 V546	A531-C535 HydrophobicContact CB-CB 3.7Å; T532-C535 WeakPolarHBondContact O-CB 3.5Å; T532-C535 PolarHBondContact O-N 2.95Å; C535-V546 PolarHBondContact N-O 2.87Å; C535-V546 PolarHBondContact O-N 3.2Å
536	H	95.4	Very high	96	Very high	14 Å²	14	15.1 Å²	15.1	7%	0.065	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.6	178.2	-71.9	-127.7	0	0	0	108.8	I219 S220 I225 S600	I219-H536 WeakPolarHBondContact CA-O 3.5Å; S220-H536 PolarHBondContact N-O 2.81Å; S220-H536 PolarHBondContact O-N 3.03Å; I225-H536 HydrophobicContact CD1-CB 4.44Å; I225-H536 WeakPolarHBondContact CD1-CD2 3.48Å; H536-S600 PolarHBondContact NE2-O 2.98Å
537	I	95.6	Very high	96.1	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	117.6	177.5	-54.8	173.1	0	0	0	106.9	I218 I219 F412 V448 I494 I544 V546	I218-I537 CarbonylContact O-C 3.47Å; I218-I537 WeakPolarHBondContact O-CA 3.48Å; I219-I537 HydrophobicContact CD1-CG1 4.44Å; I219-I537 HydrophobicContact CG1-CG1 4.17Å; I219-I537 HydrophobicContact CG1-CG2 4.32Å; I219-I537 HydrophobicContact CG2-CG1 4.39Å; F412-I537 HydrophobicContact CE1-CD1 4.48Å; F412-I537 HydrophobicContact CE1-CG2 4.02Å; F412-I537 HydrophobicContact CZ-CG2 4.31Å; V448-I537 HydrophobicContact CG2-CD1 4.49Å; I494-I537 HydrophobicContact CD1-CD1 4Å; I537-I544 HydrophobicContact CB-CB 4.22Å; I537-I544 PolarHBondContact N-O 2.91Å; I537-I544 PolarHBondContact O-N 3.31Å; I537-V546 HydrophobicContact CD1-CG2 3.95Å
538	R	93.9	Very high	96.2	Very high	12 Å²	12	8.9 Å²	8.9	5%	0.045	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.2	166.3	-176.3	179.9	-177.7	179.4	7.9	108	F217 I218 S386 M392 N393 D397 L540 Q542	F217-R538 CarbonylContact C-O 3.56Å; F217-R538 WeakPolarHBondContact CA-O 3.34Å; F217-R538 VanDerWaalsContact CB-O 3.31Å; F217-R538 WeakPolarHBondContact CB-O 3.01Å; I218-R538 HydrophobicContact CB-CB 4.45Å; I218-R538 PolarHBondContact N-O 2.55Å; I218-R538 PolarHBondContact O-N 3.43Å; S386-R538 PolarHBondContact OG-NH1 3.09Å; M392-R538 HydrophobicContact SD-CG 4.08Å; M392-R538 PolarHBondContact SD-NE 3.35Å; N393-R538 PolarHBondContact OD1-NH1 2.99Å; D397-R538 IonicContact OD1-NH2 3.12Å; R538-L540 WeakPolarHBondContact CG-O 3.34Å; R538-L540 PolarHBondContact NE-O 3.46Å; R538-Q542 CarbonylContact C-O 3.57Å; R538-Q542 WeakPolarHBondContact CA-O 3.31Å
539	Y	94.6	Very high	96.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.7	168	176.4	-100.3	0	0	0	107	L216 F217 E404 N407 T410 F412 L444 S541 Q542 P646	L216-Y539 HydrophobicContact CB-CE2 4.19Å; F217-Y539 HydrophobicContact CB-CD2 4.23Å; E404-Y539 HydrophobicContact CG-CD1 4.43Å; E404-Y539 HydrophobicContact CG-CE1 4.21Å; E404-Y539 VanDerWaalsContact OE1-O 3.12Å; N407-Y539 WeakPolarHBondContact CB-OH 3.46Å; T410-Y539 WeakPolarHBondContact CB-OH 3.24Å; T410-Y539 HydrophobicContact CG2-CE1 4.41Å; T410-Y539 HydrophobicContact CG2-CE2 3.77Å; T410-Y539 PolarHBondContact OG1-OH 2.88Å; F412-Y539 HydrophobicContact CE2-CD2 4.27Å; F412-Y539 HydrophobicContact CE2-CG 4.13Å; F412-Y539 HydrophobicContact CZ-CD2 4.25Å; F412-Y539 HydrophobicContact CZ-CG 4.27Å; L444-Y539 HydrophobicContact CD1-CE2 4.33Å; Y539-S541 PolarHBondContact O-N 2.94Å; Y539-S541 VanDerWaalsContact O-N 3.16Å; Y539-Q542 PolarHBondContact N-O 3.29Å; Y539-Q542 PolarHBondContact O-N 3.28Å; Y539-P646 HydrophobicContact CD1-CB 3.61Å; Y539-P646 HydrophobicContact CD1-CG 3.9Å; Y539-P646 HydrophobicContact CE1-CB 3.54Å; Y539-P646 HydrophobicContact CE1-CG 3.89Å
540	L	91.9	Very high	96	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-116.9	-174.5	-63.2	170.5	0	0	0	112.3	L211 L216 M392 L400 M403 E404 R538	L211-L540 HydrophobicContact CD1-CD2 3.98Å; L216-L540 HydrophobicContact CD2-CD1 4.45Å; L216-L540 HydrophobicContact CD2-CD2 3.8Å; L216-L540 HydrophobicContact CD2-CG 4.41Å; L216-L540 PolarHBondContact O-N 3.1Å; L216-L540 VanDerWaalsContact O-N 3.13Å; M392-L540 HydrophobicContact CE-CD2 4.34Å; M392-L540 VanDerWaalsContact SD-CA 3.52Å; L400-L540 HydrophobicContact CB-CB 4.22Å; L400-L540 HydrophobicContact CD2-CD2 3.85Å; M403-L540 HydrophobicContact CB-CD1 3.89Å; M403-L540 HydrophobicContact CB-CD2 4.25Å; M403-L540 HydrophobicContact CE-CD2 4.45Å; E404-L540 HydrophobicContact CB-CD1 4.26Å; E404-L540 HydrophobicContact CG-CB 3.55Å; E404-L540 HydrophobicContact CG-CD1 3.49Å; E404-L540 VanDerWaalsContact CG-CD1 3.49Å; E404-L540 HydrophobicContact CG-CG 4.14Å; E404-L540 WeakPolarHBondContact OE1-CB 3.41Å; R538-L540 WeakPolarHBondContact CG-O 3.34Å; R538-L540 PolarHBondContact NE-O 3.46Å
541	S	90.1	Very high	96	Very high	21 Å²	21	6.1 Å²	6.1	15%	0.147	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-17.3	178	69.7	0	0	0	0	112.9	S401 E404 Y539	S401-S541 WeakPolarHBondContact OG-CB 3.48Å; S401-S541 PolarHBondContact OG-OG 2.82Å; E404-S541 WeakPolarHBondContact OE1-CA 3.43Å; E404-S541 PolarHBondContact OE1-N 3.42Å; E404-S541 PolarHBondContact OE1-OG 3.04Å; E404-S541 PolarHBondContact OE2-OG 3.23Å; Y539-S541 PolarHBondContact O-N 2.94Å; Y539-S541 VanDerWaalsContact O-N 3.16Å
542	Q	93.9	Very high	96	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	138.6	-177.2	-69	169.4	39.8	0	0	114	E404 R538 Y539 D608 Y644 P646	E404-Q542 WeakPolarHBondContact OE1-CG 3.1Å; E404-Q542 PolarHBondContact OE1-N 3.02Å; E404-Q542 PolarHBondContact OE2-NE2 2.88Å; R538-Q542 CarbonylContact C-O 3.57Å; R538-Q542 WeakPolarHBondContact CA-O 3.31Å; Y539-Q542 PolarHBondContact N-O 3.29Å; Y539-Q542 PolarHBondContact O-N 3.28Å; Q542-D608 WeakPolarHBondContact CA-OD2 3.4Å; Q542-D608 HydrophobicContact CB-CB 4.42Å; Q542-D608 HydrophobicContact CG-CB 4.42Å; Q542-Y644 PolarHBondContact OE1-OH 2.86Å; Q542-P646 PolarHBondContact NE2-O 3.38Å
543	R	94.3	Very high	95.9	Very high	41 Å²	41	10.9 Å²	10.9	16%	0.155	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.7	172.9	-66.3	170.8	64.1	-146.9	0.5	109.9	P605 P607 D608 L609	R543-P605 PolarHBondContact NH1-O 3.44Å; R543-P607 HydrophobicContact CB-CB 4.07Å; R543-P607 WeakPolarHBondContact O-CB 3.22Å; R543-D608 PolarHBondContact N-OD2 3.18Å; R543-D608 PolarHBondContact O-N 2.88Å; R543-L609 PolarHBondContact O-N 2.95Å; R543-L609 VanDerWaalsContact O-N 3.12Å
544	I	97.4	Very high	95.8	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.005	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122.4	179.3	-54.6	171.3	0	0	0	108.4	F412 F414 I537 V546 L609 V611 Y644	F412-I544 HydrophobicContact CD2-CD1 4.33Å; F412-I544 HydrophobicContact CE1-CD1 4.37Å; F412-I544 HydrophobicContact CE2-CD1 4.13Å; F412-I544 HydrophobicContact CZ-CD1 4.16Å; F414-I544 HydrophobicContact CZ-CG2 4.04Å; I537-I544 HydrophobicContact CB-CB 4.22Å; I537-I544 PolarHBondContact N-O 2.91Å; I537-I544 PolarHBondContact O-N 3.31Å; I544-V546 HydrophobicContact CG2-CG2 4.32Å; I544-L609 CarbonylContact C-O 3.57Å; I544-L609 WeakPolarHBondContact CA-O 3.46Å; I544-L609 HydrophobicContact CB-CB 4.46Å; I544-L609 HydrophobicContact CG1-CB 4.15Å; I544-L609 HydrophobicContact CG1-CD2 4.36Å; I544-L609 HydrophobicContact CG2-CB 4.24Å; I544-L609 HydrophobicContact CG2-CD2 3.93Å; I544-L609 HydrophobicContact CG2-CG 4.23Å; I544-V611 HydrophobicContact CG2-CG2 4.26Å; I544-Y644 HydrophobicContact CD1-CD1 4.04Å; I544-Y644 HydrophobicContact CD1-CE1 3.92Å; I544-Y644 HydrophobicContact CG1-CE1 4.46Å
545	V	97.9	Very high	95.7	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.006	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120	176.6	179.3	0	0	0	0	108.7	L583 L603 P607 L609 I610 V611	V545-L583 HydrophobicContact CG1-CD1 3.79Å; V545-L583 HydrophobicContact CG1-CD2 4.17Å; V545-L583 HydrophobicContact CG1-CG 4.48Å; V545-L603 HydrophobicContact CG1-CD2 4.45Å; V545-L603 HydrophobicContact CG2-CD2 4.49Å; V545-P607 HydrophobicContact CG2-CB 3.82Å; V545-P607 HydrophobicContact CG2-CG 3.85Å; V545-L609 PolarHBondContact N-O 3.42Å; V545-I610 CarbonylContact O-C 3.58Å; V545-I610 WeakPolarHBondContact O-CA 3.36Å; V545-V611 PolarHBondContact O-N 2.97Å
546	V	98.6	Very high	95.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.8	175.2	-176	0	0	0	0	108.1	F414 V448 T450 V496 P534 C535 I537 I544 V611	F414-V546 HydrophobicContact CD1-CG2 4.45Å; F414-V546 HydrophobicContact CE1-CG2 3.81Å; V448-V546 HydrophobicContact CG1-CG1 3.97Å; V448-V546 HydrophobicContact CG1-CG2 4.2Å; T450-V546 HydrophobicContact CG2-CG1 3.85Å; V496-V546 HydrophobicContact CG2-CG1 4.18Å; P534-V546 CarbonylContact C-O 3.59Å; P534-V546 WeakPolarHBondContact CA-O 3.35Å; P534-V546 WeakPolarHBondContact CB-O 3.35Å; C535-V546 PolarHBondContact N-O 2.87Å; C535-V546 PolarHBondContact O-N 3.2Å; I537-V546 HydrophobicContact CD1-CG2 3.95Å; I544-V546 HydrophobicContact CG2-CG2 4.32Å; V546-V611 HydrophobicContact CG2-CB 4.5Å
547	F	98.5	Very high	95.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	9%	0.087	C	C	.	.			trans	-131.7	127	-178.3	178	-133.1	0	0	0	108.5	L508 N533 P534 Q549 I551 L583 A584 V611 C612 C613	L508-F547 HydrophobicContact CD1-CE2 3.89Å; L508-F547 HydrophobicContact CD1-CZ 3.92Å; L508-F547 HydrophobicContact CD2-CE2 3.95Å; N533-F547 WeakPolarHBondContact OD1-CD2 3.33Å; P534-F547 HydrophobicContact CB-CB 4.21Å; P534-F547 HydrophobicContact CB-CD2 3.96Å; P534-F547 HydrophobicContact CB-CG 4.49Å; P534-F547 HydrophobicContact CG-CD2 4.42Å; F547-Q549 HydrophobicContact CD1-CB 4.43Å; F547-Q549 HydrophobicContact CE1-CB 3.7Å; F547-Q549 HydrophobicContact CE1-CG 4.45Å; F547-Q549 HydrophobicContact CE2-CB 3.93Å; F547-Q549 HydrophobicContact CZ-CB 3.41Å; F547-Q549 VanDerWaalsContact CZ-CB 3.41Å; F547-Q549 HydrophobicContact CZ-CG 4.01Å; F547-I551 HydrophobicContact CE1-CB 4.29Å; F547-I551 HydrophobicContact CE1-CG1 4.45Å; F547-I551 HydrophobicContact CE1-CG2 4.33Å; F547-L583 HydrophobicContact CB-CD1 4.1Å; F547-L583 HydrophobicContact CB-CD2 3.96Å; F547-L583 HydrophobicContact CD1-CB 4.03Å; F547-L583 HydrophobicContact CD1-CD2 3.96Å; F547-L583 HydrophobicContact CD1-CG 4.43Å; F547-L583 HydrophobicContact CD2-CD1 4.26Å; F547-L583 HydrophobicContact CE1-CB 4.05Å; F547-L583 VanDerWaalsContact CE1-O 3.25Å; F547-L583 WeakPolarHBondContact CE1-O 3.38Å; F547-L583 HydrophobicContact CG-CB 4.28Å; F547-L583 HydrophobicContact CG-CD1 4.08Å; F547-L583 HydrophobicContact CG-CD2 4.08Å; F547-L583 HydrophobicContact CG-CG 4.41Å; F547-L583 HydrophobicContact CZ-CB 4.32Å; F547-A584 HydrophobicContact CZ-CB 4.21Å; F547-V611 PolarHBondContact N-O 3.06Å; F547-V611 VanDerWaalsContact O-O 3.12Å; F547-C612 CarbonylContact O-C 3.58Å; F547-C612 WeakPolarHBondContact O-CA 3.32Å; F547-C613 WeakPolarHBondContact O-CB 3.41Å; F547-C613 PolarHBondContact O-N 3.07Å
548	R	97.5	Very high	95.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.011	10%	0.102	C	C	.	.			trans	-111.5	100.8	177.6	173.8	55.4	-164.3	118.9	4.5	110.9	G451 V496 R510 N533 D550 C613	G451-R548 VanDerWaalsContact O-CD 3.22Å; G451-R548 WeakPolarHBondContact O-CD 3.41Å; G451-R548 PolarHBondContact O-NE 2.71Å; V496-R548 HydrophobicContact CG1-CB 4.31Å; R510-R548 PolarHBondContact NH1-O 3.23Å; R510-R548 VanDerWaalsContact NH1-O 3.1Å; N533-R548 PolarHBondContact ND2-O 2.85Å; N533-R548 PolarHBondContact OD1-N 2.87Å; R548-D550 IonicContact CZ-OD1 3.41Å; R548-D550 IonicContact NH1-OD1 3.98Å; R548-D550 PolarHBondContact NH1-OD1 3.42Å; R548-D550 IonicContact NH2-OD1 3.97Å; R548-D550 PolarHBondContact NH2-OD1 2.73Å; R548-D550 IonicContact NH2-OD2 3.2Å; R548-C613 HydrophobicContact CB-CB 4.21Å; R548-C613 WeakPolarHBondContact CD-O 3.47Å; R548-C613 VanDerWaalsContact CZ-O 3.28Å; R548-C613 PolarHBondContact NE-O 3.44Å; R548-C613 PolarHBondContact NH1-O 3.42Å
549	Q	97.1	Very high	95.8	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.023	11%	0.108	C	C	.	.			trans	-154.1	146.2	173.1	-177.4	69.9	-39.2	0	0	109.4	D506 R510 F547 I551 K554	D506-Q549 PolarHBondContact OD1-NE2 3.47Å; R510-Q549 VanDerWaalsContact NH2-NE2 3.19Å; F547-Q549 HydrophobicContact CD1-CB 4.43Å; F547-Q549 HydrophobicContact CE1-CB 3.7Å; F547-Q549 HydrophobicContact CE1-CG 4.45Å; F547-Q549 HydrophobicContact CE2-CB 3.93Å; F547-Q549 HydrophobicContact CZ-CB 3.41Å; F547-Q549 VanDerWaalsContact CZ-CB 3.41Å; F547-Q549 HydrophobicContact CZ-CG 4.01Å; Q549-I551 HydrophobicContact CB-CB 4.19Å; Q549-I551 HydrophobicContact CG-CB 3.98Å; Q549-I551 HydrophobicContact CG-CD1 4.37Å; Q549-I551 PolarHBondContact O-N 3.09Å; Q549-K554 VanDerWaalsContact NE2-NZ 3.14Å
550	D	96.1	Very high	95.7	Very high	26 Å²	26	25.3 Å²	25.3	14%	0.139	12%	0.119	C	C	.	.			trans	-76.6	58.9	168.9	-60.2	-28.2	0	0	0	109.3	R548 K554 D614 K615	R548-D550 IonicContact CZ-OD1 3.41Å; R548-D550 IonicContact NH1-OD1 3.98Å; R548-D550 PolarHBondContact NH1-OD1 3.42Å; R548-D550 IonicContact NH2-OD1 3.97Å; R548-D550 PolarHBondContact NH2-OD1 2.73Å; R548-D550 IonicContact NH2-OD2 3.2Å; D550-K554 WeakPolarHBondContact O-CG 3.46Å; D550-K554 PolarHBondContact O-N 2.81Å; D550-D614 VanDerWaalsContact C-OD2 3.24Å; D550-D614 WeakPolarHBondContact CA-OD2 3.39Å; D550-K615 WeakPolarHBondContact OD1-CD 3.46Å; D550-K615 VanDerWaalsContact OD1-CG 3.29Å; D550-K615 WeakPolarHBondContact OD1-CG 3.29Å; D550-K615 PolarHBondContact OD1-N 3.18Å; D550-K615 IonicContact OD1-NZ 3.45Å; D550-K615 WeakPolarHBondContact OD2-CE 3.4Å; D550-K615 IonicContact OD2-NZ 3.85Å; D550-K615 PolarHBondContact OD2-NZ 3.2Å
551	I	96.6	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-79.3	-33	-168.5	-169.7	65.9	0	0	0	112.2	F547 Q549 K554 M555 F573 A584 L586 D614	F547-I551 HydrophobicContact CE1-CB 4.29Å; F547-I551 HydrophobicContact CE1-CG1 4.45Å; F547-I551 HydrophobicContact CE1-CG2 4.33Å; Q549-I551 HydrophobicContact CB-CB 4.19Å; Q549-I551 HydrophobicContact CG-CB 3.98Å; Q549-I551 HydrophobicContact CG-CD1 4.37Å; Q549-I551 PolarHBondContact O-N 3.09Å; I551-K554 PolarHBondContact O-N 2.96Å; I551-M555 HydrophobicContact CD1-CE 4.45Å; I551-M555 HydrophobicContact CG1-CE 4.08Å; I551-M555 HydrophobicContact CG1-CG 4.37Å; I551-M555 HydrophobicContact CG1-SD 4.49Å; I551-M555 WeakPolarHBondContact O-CG 3.38Å; I551-M555 PolarHBondContact O-N 3.4Å; I551-F573 HydrophobicContact CG1-CE2 4.3Å; I551-F573 HydrophobicContact CG2-CE2 3.68Å; I551-F573 HydrophobicContact CG2-CZ 3.6Å; I551-A584 HydrophobicContact CD1-CB 4.16Å; I551-L586 HydrophobicContact CD1-CD1 3.44Å; I551-L586 VanDerWaalsContact CD1-CD1 3.44Å; I551-L586 HydrophobicContact CD1-CG 4.3Å; I551-D614 PolarHBondContact N-OD2 3.38Å
552	V	96.6	Very high	95.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-50.2	-179.7	178.3	0	0	0	0	109.4	K554 M555 C556 I569 F573 D614 Y616	V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 3.49Å; V552-M555 PolarHBondContact O-N 2.96Å; V552-C556 WeakPolarHBondContact O-CB 3.47Å; V552-C556 PolarHBondContact O-N 3.23Å; V552-C556 PolarHBondContact O-SG 2.99Å; V552-C556 VanDerWaalsContact O-SG 3.36Å; V552-I569 HydrophobicContact CG1-CG2 3.9Å; V552-F573 HydrophobicContact CG2-CD1 4.17Å; V552-F573 HydrophobicContact CG2-CD2 3.94Å; V552-F573 HydrophobicContact CG2-CE1 4.14Å; V552-F573 HydrophobicContact CG2-CE2 3.93Å; V552-F573 HydrophobicContact CG2-CG 4.07Å; V552-F573 HydrophobicContact CG2-CZ 4.03Å; V552-D614 HydrophobicContact CG2-CB 4.43Å; V552-D614 WeakPolarHBondContact CG2-OD2 3.48Å; V552-D614 PolarHBondContact N-OD2 2.92Å; V552-Y616 HydrophobicContact CB-CD2 4.32Å; V552-Y616 HydrophobicContact CB-CG 4.23Å; V552-Y616 HydrophobicContact CG1-CD1 4.31Å; V552-Y616 HydrophobicContact CG1-CD2 3.72Å; V552-Y616 HydrophobicContact CG1-CE2 3.99Å; V552-Y616 HydrophobicContact CG1-CG 3.9Å; V552-Y616 HydrophobicContact CG2-CG 4.4Å
553	E	94.7	Very high	95.5	Very high	99 Å²	99	31.4 Å²	31.4	46%	0.463	15%	0.146	S	C	.	.	H	α-helix	trans	-64.9	-37.8	177.1	-163.8	-163.8	155.3	0	0	111.8	C556 R557	E553-C556 PolarHBondContact O-N 3.33Å; E553-R557 HydrophobicContact CG-CG 4.36Å; E553-R557 WeakPolarHBondContact O-CB 3.49Å; E553-R557 VanDerWaalsContact O-CG 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.33Å; E553-R557 PolarHBondContact O-N 3.38Å; E553-R557 PolarHBondContact O-NE 3.32Å; E553-R557 IonicContact OE1-CZ 2.97Å; E553-R557 VanDerWaalsContact OE1-CZ 3.24Å; E553-R557 IonicContact OE1-NE 2.94Å; E553-R557 PolarHBondContact OE1-NE 2.97Å; E553-R557 IonicContact OE1-NH1 3.94Å; E553-R557 PolarHBondContact OE1-NH1 2.83Å
554	K	96	Very high	95.3	Very high	21 Å²	21	35.7 Å²	35.7	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-43.6	175.4	-78.6	-175.4	173.9	-162	0	111.9	D506 Q549 D550 I551 V552 N558 L586 I590	D506-K554 IonicContact OD1-NZ 3.72Å; D506-K554 PolarHBondContact OD1-NZ 3.19Å; D506-K554 IonicContact OD2-NZ 2.88Å; D506-K554 PolarHBondContact OD2-NZ 3.33Å; Q549-K554 VanDerWaalsContact NE2-NZ 3.14Å; D550-K554 WeakPolarHBondContact O-CG 3.46Å; D550-K554 PolarHBondContact O-N 2.81Å; I551-K554 PolarHBondContact O-N 2.96Å; V552-K554 VanDerWaalsContact C-N 3.34Å; V552-K554 PolarHBondContact O-N 3.49Å; K554-N558 PolarHBondContact O-N 2.74Å; K554-N558 PolarHBondContact O-ND2 3.4Å; K554-L586 HydrophobicContact CB-CD1 3.73Å; K554-L586 HydrophobicContact CD-CD1 4.43Å; K554-I590 PolarHBondContact NZ-O 3.36Å
555	M	96.9	Very high	95	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-47.4	175.2	-74.6	-175.7	170.6	0	0	111.6	I342 V344 I551 V552 R557 N558 C559 F573 P585 L586	I342-M555 HydrophobicContact CG2-CB 4.1Å; V344-M555 HydrophobicContact CG1-CB 4.5Å; I551-M555 HydrophobicContact CD1-CE 4.45Å; I551-M555 HydrophobicContact CG1-CE 4.08Å; I551-M555 HydrophobicContact CG1-CG 4.37Å; I551-M555 HydrophobicContact CG1-SD 4.49Å; I551-M555 WeakPolarHBondContact O-CG 3.38Å; I551-M555 PolarHBondContact O-N 3.4Å; V552-M555 PolarHBondContact O-N 2.96Å; M555-R557 VanDerWaalsContact C-N 3.32Å; M555-R557 PolarHBondContact O-N 3.01Å; M555-N558 PolarHBondContact O-N 2.82Å; M555-C559 WeakPolarHBondContact O-CB 3.23Å; M555-C559 PolarHBondContact O-N 3.22Å; M555-F573 HydrophobicContact CE-CE2 4.25Å; M555-F573 HydrophobicContact SD-CD2 3.5Å; M555-F573 WeakPolarHBondContact SD-CD2 3.48Å; M555-F573 HydrophobicContact SD-CE2 3.61Å; M555-P585 HydrophobicContact CE-CG 3.38Å; M555-L586 HydrophobicContact CG-CD1 4.41Å; M555-L586 HydrophobicContact CG-CD2 4.09Å; M555-L586 HydrophobicContact CG-CG 4.31Å
556	C	96.1	Very high	94.6	Very high	25 Å²	25	42.6 Å²	42.6	17%	0.169	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-39.2	-179.8	-76.4	0	0	0	0	113	V552 E553 N558 C559 M562	V552-C556 WeakPolarHBondContact O-CB 3.47Å; V552-C556 PolarHBondContact O-N 3.23Å; V552-C556 PolarHBondContact O-SG 2.99Å; V552-C556 VanDerWaalsContact O-SG 3.36Å; E553-C556 PolarHBondContact O-N 3.33Å; C556-N558 VanDerWaalsContact C-N 3.31Å; C556-N558 PolarHBondContact O-N 2.87Å; C556-C559 PolarHBondContact O-SG 2.72Å; C556-C559 VanDerWaalsContact O-SG 3.39Å; C556-M562 VanDerWaalsContact C-CE 3.5Å; C556-M562 HydrophobicContact CB-CE 3.5Å; C556-M562 VanDerWaalsContact CB-CE 3.5Å; C556-M562 WeakPolarHBondContact O-CE 3.28Å
557	R	95.7	Very high	94.3	Very high	148 Å²	148	47.8 Å²	47.8	56%	0.558	25%	0.253	S	S	*	.	H	α-helix	trans	-73.6	-22.8	-179.5	-72.6	-179.1	-57.8	-172.2	9.3	114.1	E553 M555	E553-R557 HydrophobicContact CG-CG 4.36Å; E553-R557 WeakPolarHBondContact O-CB 3.49Å; E553-R557 VanDerWaalsContact O-CG 3.28Å; E553-R557 WeakPolarHBondContact O-CG 3.33Å; E553-R557 PolarHBondContact O-N 3.38Å; E553-R557 PolarHBondContact O-NE 3.32Å; E553-R557 IonicContact OE1-CZ 2.97Å; E553-R557 VanDerWaalsContact OE1-CZ 3.24Å; E553-R557 IonicContact OE1-NE 2.94Å; E553-R557 PolarHBondContact OE1-NE 2.97Å; E553-R557 IonicContact OE1-NH1 3.94Å; E553-R557 PolarHBondContact OE1-NH1 2.83Å; M555-R557 VanDerWaalsContact C-N 3.32Å; M555-R557 PolarHBondContact O-N 3.01Å
558	N	95	Very high	94.2	Very high	61 Å²	61	49.7 Å²	49.7	33%	0.326	27%	0.265	S	S	.	.	H	α-helix	trans	-119.1	12.3	-170.8	-58.6	-70.6	0	0	0	112.9	K554 M555 C556 I590	K554-N558 PolarHBondContact O-N 2.74Å; K554-N558 PolarHBondContact O-ND2 3.4Å; M555-N558 PolarHBondContact O-N 2.82Å; C556-N558 VanDerWaalsContact C-N 3.31Å; C556-N558 PolarHBondContact O-N 2.87Å; N558-I590 HydrophobicContact CB-CD1 3.57Å; N558-I590 VanDerWaalsContact OD1-CD1 3.31Å; N558-I590 WeakPolarHBondContact OD1-CD1 3.47Å
559	C	95.5	Very high	94.2	Very high	24 Å²	24	50.4 Å²	50.4	16%	0.162	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	142.4	172.6	70.3	0	0	0	0	110.2	I342 Y343 V344 M555 C556 F561 M562	I342-C559 HydrophobicContact CG2-CB 3.57Å; Y343-C559 CarbonylContact O-C 3.54Å; Y343-C559 WeakPolarHBondContact O-CA 3.42Å; Y343-C559 WeakPolarHBondContact O-CB 3.48Å; V344-C559 HydrophobicContact CG1-CB 3.92Å; M555-C559 WeakPolarHBondContact O-CB 3.23Å; M555-C559 PolarHBondContact O-N 3.22Å; C556-C559 PolarHBondContact O-SG 2.72Å; C556-C559 VanDerWaalsContact O-SG 3.39Å; C559-F561 VanDerWaalsContact C-N 3.32Å; C559-F561 WeakPolarHBondContact CB-O 3.47Å; C559-F561 PolarHBondContact SG-O 3.38Å; C559-F561 VanDerWaalsContact SG-O 3.34Å; C559-M562 WeakPolarHBondContact SG-CE 3.45Å
560	F	93.4	Very high	94.2	Very high	53 Å²	53	50.7 Å²	50.7	23%	0.232	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-9.9	169.3	61.5	-95.6	0	0	0	111.7	I312 F320 L333 F338 Y343	I312-F560 HydrophobicContact CD1-CE1 4.17Å; I312-F560 HydrophobicContact CD1-CE2 3.9Å; I312-F560 HydrophobicContact CD1-CZ 3.44Å; I312-F560 VanDerWaalsContact CD1-CZ 3.44Å; I312-F560 HydrophobicContact CG1-CE1 4.36Å; I312-F560 HydrophobicContact CG1-CZ 4.09Å; I312-F560 HydrophobicContact CG2-CE1 3.79Å; I312-F560 HydrophobicContact CG2-CZ 3.87Å; F320-F560 HydrophobicContact CE1-CB 3.94Å; F320-F560 AromaticContact CE1-CD1 3.97Å; F320-F560 HydrophobicContact CE1-CD1 3.97Å; F320-F560 HydrophobicContact CE1-CD2 4.25Å; F320-F560 AromaticContact CE1-CG 3.8Å; F320-F560 HydrophobicContact CE1-CG 3.8Å; F320-F560 HydrophobicContact CZ-CB 3.63Å; F320-F560 HydrophobicContact CZ-CD1 4.49Å; F320-F560 HydrophobicContact CZ-CD2 4.21Å; F320-F560 AromaticContact CZ-CG 3.89Å; F320-F560 HydrophobicContact CZ-CG 3.89Å; L333-F560 HydrophobicContact CD1-CD2 4.36Å; L333-F560 HydrophobicContact CD1-CE2 4.04Å; F338-F560 HydrophobicContact CE1-CD2 4.47Å; F338-F560 AromaticContact CE1-CE2 3.88Å; F338-F560 HydrophobicContact CE1-CE2 3.88Å; F338-F560 HydrophobicContact CZ-CE2 4.33Å; Y343-F560 VanDerWaalsContact CB-CZ 3.46Å; Y343-F560 HydrophobicContact CD1-CZ 4.44Å; Y343-F560 HydrophobicContact CG-CZ 4.38Å; Y343-F560 VanDerWaalsContact O-CD1 3.32Å; Y343-F560 WeakPolarHBondContact O-CD1 3.41Å; Y343-F560 PolarHBondContact O-N 2.93Å
561	F	92.3	Very high	94.2	Very high	63 Å²	63	52.9 Å²	52.9	28%	0.276	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.3	168.4	-176	-94.3	0	0	0	110.8	F338 Y343 C559	F338-F561 HydrophobicContact CB-CD1 3.78Å; F338-F561 HydrophobicContact CB-CD2 4.28Å; F338-F561 HydrophobicContact CB-CE1 3.41Å; F338-F561 VanDerWaalsContact CB-CE1 3.41Å; F338-F561 HydrophobicContact CB-CE2 3.96Å; F338-F561 HydrophobicContact CB-CG 4.2Å; F338-F561 HydrophobicContact CB-CZ 3.51Å; F338-F561 HydrophobicContact CD1-CB 3.73Å; F338-F561 AromaticContact CD1-CD1 3.64Å; F338-F561 HydrophobicContact CD1-CD1 3.64Å; F338-F561 AromaticContact CD1-CD2 3.85Å; F338-F561 HydrophobicContact CD1-CD2 3.85Å; F338-F561 HydrophobicContact CD1-CE1 4.19Å; F338-F561 HydrophobicContact CD1-CE2 4.37Å; F338-F561 AromaticContact CD1-CG 3.45Å; F338-F561 HydrophobicContact CD1-CG 3.45Å; F338-F561 VanDerWaalsContact CD1-CG 3.45Å; F338-F561 HydrophobicContact CD2-CD1 4.47Å; F338-F561 AromaticContact CD2-CD2 3.52Å; F338-F561 HydrophobicContact CD2-CD2 3.52Å; F338-F561 HydrophobicContact CD2-CE1 4.46Å; F338-F561 AromaticContact CD2-CE2 3.51Å; F338-F561 HydrophobicContact CD2-CE2 3.51Å; F338-F561 HydrophobicContact CD2-CG 4.02Å; F338-F561 HydrophobicContact CD2-CZ 4.01Å; F338-F561 HydrophobicContact CE1-CB 3.55Å; F338-F561 HydrophobicContact CE1-CD1 4.35Å; F338-F561 HydrophobicContact CE1-CD2 4.01Å; F338-F561 AromaticContact CE1-CG 3.72Å; F338-F561 HydrophobicContact CE1-CG 3.72Å; F338-F561 AromaticContact CE2-CD2 3.71Å; F338-F561 HydrophobicContact CE2-CD2 3.71Å; F338-F561 HydrophobicContact CE2-CE2 4.09Å; F338-F561 HydrophobicContact CE2-CG 4.27Å; F338-F561 HydrophobicContact CG-CB 4.38Å; F338-F561 AromaticContact CG-CD1 3.72Å; F338-F561 HydrophobicContact CG-CD1 3.72Å; F338-F561 AromaticContact CG-CD2 3.6Å; F338-F561 HydrophobicContact CG-CD2 3.6Å; F338-F561 AromaticContact CG-CE1 3.79Å; F338-F561 HydrophobicContact CG-CE1 3.79Å; F338-F561 AromaticContact CG-CE2 3.69Å; F338-F561 HydrophobicContact CG-CE2 3.69Å; F338-F561 AromaticContact CG-CG 3.62Å; F338-F561 HydrophobicContact CG-CG 3.62Å; F338-F561 AromaticContact CG-CZ 3.78Å; F338-F561 HydrophobicContact CG-CZ 3.78Å; F338-F561 HydrophobicContact CZ-CB 4.07Å; F338-F561 AromaticContact CZ-CD2 3.95Å; F338-F561 HydrophobicContact CZ-CD2 3.95Å; F338-F561 HydrophobicContact CZ-CG 4.13Å; Y343-F561 HydrophobicContact CD2-CB 4.29Å; Y343-F561 AromaticContact CD2-CD1 3.93Å; Y343-F561 HydrophobicContact CD2-CD1 3.93Å; Y343-F561 HydrophobicContact CD2-CG 4.49Å; Y343-F561 HydrophobicContact CE2-CD1 4.34Å; C559-F561 VanDerWaalsContact C-N 3.32Å; C559-F561 WeakPolarHBondContact CB-O 3.47Å; C559-F561 PolarHBondContact SG-O 3.38Å; C559-F561 VanDerWaalsContact SG-O 3.34Å
562	M	90.5	Very high	94.2	Very high	76 Å²	76	54 Å²	54	37%	0.374	29%	0.286	S	S	.	.			trans	-106.4	130.8	179.5	178.7	63.5	72.5	0	0	110.2	C556 C559 S564	C556-M562 VanDerWaalsContact C-CE 3.5Å; C556-M562 HydrophobicContact CB-CE 3.5Å; C556-M562 VanDerWaalsContact CB-CE 3.5Å; C556-M562 WeakPolarHBondContact O-CE 3.28Å; C559-M562 WeakPolarHBondContact SG-CE 3.45Å; M562-S564 PolarHBondContact O-N 2.98Å
563	P	89.5	Confident	94.3	Very high	10 Å²	10	54 Å²	54	7%	0.065	29%	0.285	C	S	.	.			trans	-55.3	138.1	169.6	-26	36.2	0	0	0	112.1	I342 D565 H572	I342-P563 HydrophobicContact CG1-CG 4.3Å; P563-D565 PolarHBondContact O-N 3.22Å; P563-H572 HydrophobicContact CG-CB 3.82Å; P563-H572 VanDerWaalsContact CG-CG 3.45Å; P563-H572 WeakPolarHBondContact CG-ND1 3.4Å
564	S	89.4	Confident	94.5	Very high	132 Å²	132	49.3 Å²	49.3	92%	0.923	26%	0.263	S	S	*	.	S	Bend	trans	-69.5	-31.3	-175.4	-58.5	0	0	0	0	113.7	M562	M562-S564 PolarHBondContact O-N 2.98Å
565	D	91.9	Very high	94.5	Very high	74 Å²	74	50.9 Å²	50.9	40%	0.396	27%	0.27	S	S	.	.			trans	-98.9	119.5	178.6	-175.3	7.2	0	0	0	111.6	P563 N567 T568	P563-D565 PolarHBondContact O-N 3.22Å; D565-N567 PolarHBondContact O-N 3.48Å; D565-N567 WeakPolarHBondContact OD1-CB 3.42Å; D565-N567 PolarHBondContact OD1-N 2.93Å; D565-N567 PolarHBondContact OD1-ND2 3.45Å; D565-T568 HydrophobicContact CB-CG2 4.13Å; D565-T568 PolarHBondContact O-N 2.99Å; D565-T568 PolarHBondContact O-OG1 3.47Å
566	S	89.3	Confident	94.5	Very high	73 Å²	73	50.9 Å²	50.9	51%	0.51	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.7	174.9	64.1	0	0	0	0	114.2	T568 I569	S566-T568 VanDerWaalsContact C-N 3.34Å; S566-I569 WeakPolarHBondContact O-CD1 3.4Å; S566-I569 WeakPolarHBondContact O-CG1 3.43Å
567	N	92.5	Very high	94.6	Very high	109 Å²	109	49.8 Å²	49.8	58%	0.583	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-24.3	179.4	-65	-50.8	0	0	0	112.8	D565 P570	D565-N567 PolarHBondContact O-N 3.48Å; D565-N567 WeakPolarHBondContact OD1-CB 3.42Å; D565-N567 PolarHBondContact OD1-N 2.93Å; D565-N567 PolarHBondContact OD1-ND2 3.45Å; N567-P570 WeakPolarHBondContact O-CD 3.32Å
568	T	95.5	Very high	94.7	Very high	40 Å²	40	42.7 Å²	42.7	25%	0.245	24%	0.236	C	C	.	.	S	Bend	trans	-88.6	-4.1	178.9	68.2	0	0	0	0	112.9	D565 S566 P570 E571 H572	D565-T568 HydrophobicContact CB-CG2 4.13Å; D565-T568 PolarHBondContact O-N 2.99Å; D565-T568 PolarHBondContact O-OG1 3.47Å; S566-T568 VanDerWaalsContact C-N 3.34Å; T568-P570 VanDerWaalsContact C-CD 3.43Å; T568-P570 VanDerWaalsContact C-N 3.32Å; T568-E571 WeakPolarHBondContact O-CB 3.45Å; T568-E571 PolarHBondContact O-N 3.13Å; T568-H572 PolarHBondContact O-CD2 2.86Å; T568-H572 VanDerWaalsContact O-CD2 3.25Å; T568-H572 PolarHBondContact O-N 3.33Å; T568-H572 PolarHBondContact OG1-CD2 3.47Å; T568-H572 VanDerWaalsContact OG1-CD2 3.29Å; T568-H572 PolarHBondContact OG1-NE2 3.03Å
569	I	96.7	Very high	94.8	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.097	22%	0.221	C	C	.	.	H	α-helix	trans	-48.3	-45.4	178.9	-68.8	172.8	0	0	0	113	I342 V552 S566 E571 H572 F573	I342-I569 HydrophobicContact CD1-CG2 4.48Å; V552-I569 HydrophobicContact CG1-CG2 3.9Å; S566-I569 WeakPolarHBondContact O-CD1 3.4Å; S566-I569 WeakPolarHBondContact O-CG1 3.43Å; I569-E571 PolarHBondContact O-N 3.43Å; I569-H572 PolarHBondContact O-N 3.45Å; I569-F573 WeakPolarHBondContact O-CB 3.35Å; I569-F573 PolarHBondContact O-N 3.18Å
570	P	97.3	Very high	94.9	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.071	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-46.4	176.9	-26.7	36.6	0	0	0	113.6	N567 T568 F573 C574 Y616 F619 E621	N567-P570 WeakPolarHBondContact O-CD 3.32Å; T568-P570 VanDerWaalsContact C-CD 3.43Å; T568-P570 VanDerWaalsContact C-N 3.32Å; P570-F573 PolarHBondContact O-N 3.11Å; P570-C574 WeakPolarHBondContact O-CB 3.33Å; P570-C574 PolarHBondContact O-N 3.42Å; P570-C574 PolarHBondContact O-SG 3.28Å; P570-Y616 HydrophobicContact CG-CE1 4.14Å; P570-F619 HydrophobicContact CB-CB 3.99Å; P570-F619 HydrophobicContact CB-CD1 4.12Å; P570-F619 HydrophobicContact CB-CD2 3.93Å; P570-F619 HydrophobicContact CB-CE2 4.45Å; P570-F619 HydrophobicContact CB-CG 3.76Å; P570-F619 HydrophobicContact CG-CB 4.16Å; P570-F619 HydrophobicContact CG-CD1 4.2Å; P570-F619 HydrophobicContact CG-CG 4.17Å; P570-E621 HydrophobicContact CB-CG 4.42Å
571	E	96.9	Very high	95.1	Very high	71 Å²	71	36.8 Å²	36.8	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-62.7	-48.5	179	-173	-165.9	160	0	0	111.1	T568 I569 F573 C574 K575	T568-E571 WeakPolarHBondContact O-CB 3.45Å; T568-E571 PolarHBondContact O-N 3.13Å; I569-E571 PolarHBondContact O-N 3.43Å; E571-F573 VanDerWaalsContact C-N 3.35Å; E571-F573 PolarHBondContact O-N 2.91Å; E571-C574 PolarHBondContact O-N 3.48Å; E571-K575 HydrophobicContact CG-CD 4.33Å; E571-K575 WeakPolarHBondContact O-CB 3.37Å; E571-K575 WeakPolarHBondContact O-CG 3.32Å; E571-K575 PolarHBondContact O-N 2.9Å; E571-K575 WeakPolarHBondContact OE1-CE 3.36Å; E571-K575 IonicContact OE1-NZ 3.68Å; E571-K575 PolarHBondContact OE1-NZ 2.9Å
572	H	97.6	Very high	95.4	Very high	25 Å²	25	33.9 Å²	33.9	12%	0.116	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-39.9	178.5	-76.8	-106.7	0	0	0	112	G341 I342 P563 T568 I569 T576	G341-H572 PolarHBondContact N-ND1 2.77Å; G341-H572 PolarHBondContact O-ND1 3.36Å; I342-H572 HydrophobicContact CD1-CB 4.47Å; I342-H572 HydrophobicContact CG1-CB 3.85Å; P563-H572 HydrophobicContact CG-CB 3.82Å; P563-H572 VanDerWaalsContact CG-CG 3.45Å; P563-H572 WeakPolarHBondContact CG-ND1 3.4Å; T568-H572 PolarHBondContact O-CD2 2.86Å; T568-H572 VanDerWaalsContact O-CD2 3.25Å; T568-H572 PolarHBondContact O-N 3.33Å; T568-H572 PolarHBondContact OG1-CD2 3.47Å; T568-H572 VanDerWaalsContact OG1-CD2 3.29Å; T568-H572 PolarHBondContact OG1-NE2 3.03Å; I569-H572 PolarHBondContact O-N 3.45Å; H572-T576 WeakPolarHBondContact O-CB 3.46Å; H572-T576 PolarHBondContact O-N 3.2Å; H572-T576 PolarHBondContact O-OG1 3.03Å
573	F	97.7	Very high	95.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.2	-51.6	174.9	168.1	-101.8	0	0	0	111.2	I342 I551 V552 M555 I569 P570 E571 K575 T576 L577 F619	I342-F573 HydrophobicContact CD1-CB 3.98Å; I551-F573 HydrophobicContact CG1-CE2 4.3Å; I551-F573 HydrophobicContact CG2-CE2 3.68Å; I551-F573 HydrophobicContact CG2-CZ 3.6Å; V552-F573 HydrophobicContact CG2-CD1 4.17Å; V552-F573 HydrophobicContact CG2-CD2 3.94Å; V552-F573 HydrophobicContact CG2-CE1 4.14Å; V552-F573 HydrophobicContact CG2-CE2 3.93Å; V552-F573 HydrophobicContact CG2-CG 4.07Å; V552-F573 HydrophobicContact CG2-CZ 4.03Å; M555-F573 HydrophobicContact CE-CE2 4.25Å; M555-F573 HydrophobicContact SD-CD2 3.5Å; M555-F573 WeakPolarHBondContact SD-CD2 3.48Å; M555-F573 HydrophobicContact SD-CE2 3.61Å; I569-F573 WeakPolarHBondContact O-CB 3.35Å; I569-F573 PolarHBondContact O-N 3.18Å; P570-F573 PolarHBondContact O-N 3.11Å; E571-F573 VanDerWaalsContact C-N 3.35Å; E571-F573 PolarHBondContact O-N 2.91Å; F573-K575 PolarHBondContact O-N 3.41Å; F573-T576 WeakPolarHBondContact O-CB 3.39Å; F573-T576 PolarHBondContact O-N 2.78Å; F573-L577 HydrophobicContact CE1-CD2 4.47Å; F573-L577 HydrophobicContact CZ-CD1 4.35Å; F573-L577 HydrophobicContact CZ-CD2 4.35Å; F573-L577 WeakPolarHBondContact O-CB 3.37Å; F573-L577 PolarHBondContact O-N 2.94Å; F573-F619 HydrophobicContact CD1-CE2 4.34Å; F573-F619 AromaticContact CD1-CZ 3.85Å; F573-F619 HydrophobicContact CD1-CZ 3.85Å; F573-F619 AromaticContact CE1-CZ 3.98Å; F573-F619 HydrophobicContact CE1-CZ 3.98Å
574	C	98	Very high	96.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-45	179.4	-69.8	0	0	0	0	111.6	P570 E571 T576 L577 L578 E621 I623 I628	P570-C574 WeakPolarHBondContact O-CB 3.33Å; P570-C574 PolarHBondContact O-N 3.42Å; P570-C574 PolarHBondContact O-SG 3.28Å; E571-C574 PolarHBondContact O-N 3.48Å; C574-T576 VanDerWaalsContact C-N 3.32Å; C574-T576 PolarHBondContact O-N 3.47Å; C574-L577 PolarHBondContact O-N 3.47Å; C574-L578 WeakPolarHBondContact O-CG 3.42Å; C574-L578 PolarHBondContact O-N 3.44Å; C574-L578 VanDerWaalsContact O-N 3.09Å; C574-E621 HydrophobicContact CB-CB 4.23Å; C574-E621 HydrophobicContact CB-CG 4.48Å; C574-I623 HydrophobicContact CB-CD1 3.76Å; C574-I628 HydrophobicContact CB-CD1 4.47Å
575	K	97.3	Very high	96.4	Very high	55 Å²	55	23.8 Å²	23.8	24%	0.239	13%	0.129	C	C	.	.	H	α-helix	trans	-57.1	-45.7	174.7	-76.8	177.4	173.6	172.8	0	111.9	P340 E571 F573 A579 I623	P340-K575 HydrophobicContact CB-CD 3.86Å; E571-K575 HydrophobicContact CG-CD 4.33Å; E571-K575 WeakPolarHBondContact O-CB 3.37Å; E571-K575 WeakPolarHBondContact O-CG 3.32Å; E571-K575 PolarHBondContact O-N 2.9Å; E571-K575 WeakPolarHBondContact OE1-CE 3.36Å; E571-K575 IonicContact OE1-NZ 3.68Å; E571-K575 PolarHBondContact OE1-NZ 2.9Å; F573-K575 PolarHBondContact O-N 3.41Å; K575-A579 WeakPolarHBondContact O-CB 3.4Å; K575-A579 PolarHBondContact O-N 2.93Å; K575-I623 HydrophobicContact CG-CD1 3.71Å
576	T	97.4	Very high	96.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.7	-50.4	177.8	-53.1	0	0	0	0	111.1	I342 F367 H572 F573 C574 L578 A579 Q580	I342-T576 PolarHBondContact N-OG1 2.92Å; I342-T576 VanDerWaalsContact O-CG2 3.28Å; I342-T576 WeakPolarHBondContact O-CG2 3.46Å; I342-T576 PolarHBondContact O-OG1 2.81Å; F367-T576 HydrophobicContact CE2-CG2 4Å; F367-T576 WeakPolarHBondContact CE2-OG1 3.48Å; F367-T576 HydrophobicContact CZ-CG2 3.82Å; H572-T576 WeakPolarHBondContact O-CB 3.46Å; H572-T576 PolarHBondContact O-N 3.2Å; H572-T576 PolarHBondContact O-OG1 3.03Å; F573-T576 WeakPolarHBondContact O-CB 3.39Å; F573-T576 PolarHBondContact O-N 2.78Å; C574-T576 VanDerWaalsContact C-N 3.32Å; C574-T576 PolarHBondContact O-N 3.47Å; T576-L578 PolarHBondContact O-N 2.99Å; T576-A579 PolarHBondContact O-N 3.38Å; T576-Q580 HydrophobicContact CG2-CG 4.28Å; T576-Q580 WeakPolarHBondContact O-CB 3.39Å; T576-Q580 VanDerWaalsContact O-CG 3.25Å; T576-Q580 WeakPolarHBondContact O-CG 3.44Å; T576-Q580 PolarHBondContact O-N 2.98Å
577	L	97.6	Very high	96.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-57.2	-48.8	-177.3	-164.2	75.9	0	0	0	112.2	F573 C574 S581 H582 L583 L603 I610	F573-L577 HydrophobicContact CE1-CD2 4.47Å; F573-L577 HydrophobicContact CZ-CD1 4.35Å; F573-L577 HydrophobicContact CZ-CD2 4.35Å; F573-L577 WeakPolarHBondContact O-CB 3.37Å; F573-L577 PolarHBondContact O-N 2.94Å; C574-L577 PolarHBondContact O-N 3.47Å; L577-S581 PolarHBondContact O-N 3.06Å; L577-H582 VanDerWaalsContact CD1-O 3.29Å; L577-H582 WeakPolarHBondContact CD1-O 3.41Å; L577-H582 PolarHBondContact O-N 3.24Å; L577-L583 WeakPolarHBondContact CD1-O 3.35Å; L577-L603 HydrophobicContact CD2-CD1 4.11Å; L577-L603 HydrophobicContact CG-CD1 3.82Å; L577-I610 HydrophobicContact CD2-CD1 4.3Å; L577-I610 HydrophobicContact CD2-CG2 4.33Å
578	L	97.9	Very high	96.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-73.2	-39	-178	-59.3	-175.8	0	0	0	112.3	R267 I370 C574 T576 Q580 S581 L606 I610 I623 C626 I628	R267-L578 PolarHBondContact NH1-O 3.18Å; R267-L578 PolarHBondContact NH2-O 3.43Å; I370-L578 HydrophobicContact CD1-CB 3.91Å; I370-L578 HydrophobicContact CD1-CD1 4.45Å; I370-L578 HydrophobicContact CG1-CB 4.15Å; I370-L578 HydrophobicContact CG2-CB 3.89Å; I370-L578 HydrophobicContact CG2-CD1 4.25Å; C574-L578 WeakPolarHBondContact O-CG 3.42Å; C574-L578 PolarHBondContact O-N 3.44Å; C574-L578 VanDerWaalsContact O-N 3.09Å; T576-L578 PolarHBondContact O-N 2.99Å; L578-Q580 VanDerWaalsContact C-N 3.33Å; L578-S581 PolarHBondContact O-N 3.04Å; L578-S581 VanDerWaalsContact O-N 3.11Å; L578-L606 HydrophobicContact CB-CD2 4.42Å; L578-L606 HydrophobicContact CD2-CD2 3.82Å; L578-I610 HydrophobicContact CD2-CD1 3.73Å; L578-I623 HydrophobicContact CD1-CB 3.62Å; L578-I623 HydrophobicContact CD1-CD1 4.33Å; L578-I623 HydrophobicContact CD1-CG1 4.48Å; L578-I623 HydrophobicContact CD1-CG2 3.89Å; L578-C626 HydrophobicContact CD1-CB 4.37Å; L578-C626 HydrophobicContact CD2-CB 4.43Å; L578-I628 HydrophobicContact CD1-CD1 3.7Å; L578-I628 HydrophobicContact CD2-CD1 4.02Å; L578-I628 HydrophobicContact CD2-CG1 4.2Å; L578-I628 HydrophobicContact CG-CD1 4.1Å
579	A	97.5	Very high	96.8	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-67.1	-37.6	179.4	0	0	0	0	0	111.6	V264 R267 F367 I370 K575 T576 S581	V264-A579 WeakPolarHBondContact CG1-O 3.32Å; R267-A579 PolarHBondContact NH1-O 3.25Å; F367-A579 HydrophobicContact CB-CB 3.5Å; F367-A579 HydrophobicContact CD2-CB 4.14Å; F367-A579 HydrophobicContact CG-CB 3.95Å; I370-A579 HydrophobicContact CD1-CB 4.36Å; I370-A579 HydrophobicContact CG1-CB 3.9Å; K575-A579 WeakPolarHBondContact O-CB 3.4Å; K575-A579 PolarHBondContact O-N 2.93Å; T576-A579 PolarHBondContact O-N 3.38Å; A579-S581 PolarHBondContact O-N 3.44Å
580	Q	97.7	Very high	96.7	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.056	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.5	173.2	-62.8	-52.3	-47.9	0	0	113.8	V348 F367 T576 L578 H582 P585	V348-Q580 PolarHBondContact O-NE2 3.44Å; F367-Q580 VanDerWaalsContact CE1-NE2 3.35Å; T576-Q580 HydrophobicContact CG2-CG 4.28Å; T576-Q580 WeakPolarHBondContact O-CB 3.39Å; T576-Q580 VanDerWaalsContact O-CG 3.25Å; T576-Q580 WeakPolarHBondContact O-CG 3.44Å; T576-Q580 PolarHBondContact O-N 2.98Å; L578-Q580 VanDerWaalsContact C-N 3.33Å; Q580-H582 PolarHBondContact O-N 3.4Å; Q580-H582 VanDerWaalsContact O-N 3.12Å; Q580-P585 HydrophobicContact CB-CB 3.59Å; Q580-P585 HydrophobicContact CB-CG 3.88Å; Q580-P585 HydrophobicContact CG-CB 3.8Å; Q580-P585 HydrophobicContact CG-CG 4.06Å
581	S	96.9	Very high	96.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	28.7	179	-160.8	0	0	0	0	114.2	L263 R267 L577 L578 A579 Y602 L603	L263-S581 WeakPolarHBondContact CD2-OG 3.09Å; R267-S581 PolarHBondContact NH2-OG 3.12Å; L577-S581 PolarHBondContact O-N 3.06Å; L578-S581 PolarHBondContact O-N 3.04Å; L578-S581 VanDerWaalsContact O-N 3.11Å; A579-S581 PolarHBondContact O-N 3.44Å; S581-Y602 WeakPolarHBondContact O-CA 3.47Å; S581-L603 PolarHBondContact O-N 3.05Å; S581-L603 PolarHBondContact OG-O 2.91Å
582	H	97.8	Very high	96.6	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.009	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-150.8	140	-168.6	-169.6	-83.3	0	0	0	110.7	R260 L577 Q580 A584 P585 D598 L601 Y602	R260-H582 PolarHBondContact NE-NE2 2.95Å; R260-H582 PolarHBondContact NH2-CE1 3.02Å; R260-H582 PolarHBondContact NH2-NE2 3.09Å; L577-H582 VanDerWaalsContact CD1-O 3.29Å; L577-H582 WeakPolarHBondContact CD1-O 3.41Å; L577-H582 PolarHBondContact O-N 3.24Å; Q580-H582 PolarHBondContact O-N 3.4Å; Q580-H582 VanDerWaalsContact O-N 3.12Å; H582-A584 PolarHBondContact CE1-O 3.33Å; H582-A584 PolarHBondContact ND1-N 2.92Å; H582-A584 PolarHBondContact ND1-O 3.4Å; H582-P585 HydrophobicContact CB-CB 4.41Å; H582-P585 WeakPolarHBondContact O-CD 3.38Å; H582-D598 IonicContact CE1-OD1 2.77Å; H582-D598 IonicContact NE2-OD1 3.82Å; H582-D598 PolarHBondContact NE2-OD1 3.3Å; H582-D598 IonicContact NE2-OD2 2.74Å; H582-L601 WeakPolarHBondContact CA-O 3.38Å; H582-L601 WeakPolarHBondContact NE2-CB 3.46Å; H582-Y602 AromaticContact CD2-CD1 3.61Å; H582-Y602 AromaticContact CD2-CE1 3.77Å
583	L	98	Very high	96.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	S	Bend	trans	-72	-27.6	-176.6	-77.3	170.1	0	0	0	114.8	P534 V545 F547 L577 L601 L603 I610	P534-L583 HydrophobicContact CB-CD1 3.59Å; P534-L583 HydrophobicContact CG-CD1 3.62Å; V545-L583 HydrophobicContact CG1-CD1 3.79Å; V545-L583 HydrophobicContact CG1-CD2 4.17Å; V545-L583 HydrophobicContact CG1-CG 4.48Å; F547-L583 HydrophobicContact CB-CD1 4.1Å; F547-L583 HydrophobicContact CB-CD2 3.96Å; F547-L583 HydrophobicContact CD1-CB 4.03Å; F547-L583 HydrophobicContact CD1-CD2 3.96Å; F547-L583 HydrophobicContact CD1-CG 4.43Å; F547-L583 HydrophobicContact CD2-CD1 4.26Å; F547-L583 HydrophobicContact CE1-CB 4.05Å; F547-L583 VanDerWaalsContact CE1-O 3.25Å; F547-L583 WeakPolarHBondContact CE1-O 3.38Å; F547-L583 HydrophobicContact CG-CB 4.28Å; F547-L583 HydrophobicContact CG-CD1 4.08Å; F547-L583 HydrophobicContact CG-CD2 4.08Å; F547-L583 HydrophobicContact CG-CG 4.41Å; F547-L583 HydrophobicContact CZ-CB 4.32Å; L577-L583 WeakPolarHBondContact CD1-O 3.35Å; L583-L601 HydrophobicContact CB-CB 4.3Å; L583-L601 HydrophobicContact CB-CD2 4.42Å; L583-L601 PolarHBondContact N-O 3.33Å; L583-L603 HydrophobicContact CD2-CD1 4.14Å; L583-L603 HydrophobicContact CD2-CD2 3.84Å; L583-L603 HydrophobicContact CD2-CG 4.28Å; L583-L603 HydrophobicContact CG-CD1 4.38Å; L583-L603 HydrophobicContact CG-CD2 3.92Å; L583-L603 HydrophobicContact CG-CG 4.15Å; L583-I610 HydrophobicContact CD2-CG2 3.99Å
584	A	96.7	Very high	96.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.			trans	-134.8	66.7	179.1	0	0	0	0	0	111.7	L508 F547 I551 H582 L586 L601	L508-A584 HydrophobicContact CD1-CB 3.91Å; F547-A584 HydrophobicContact CZ-CB 4.21Å; I551-A584 HydrophobicContact CD1-CB 4.16Å; H582-A584 PolarHBondContact CE1-O 3.33Å; H582-A584 PolarHBondContact ND1-N 2.92Å; H582-A584 PolarHBondContact ND1-O 3.4Å; A584-L586 PolarHBondContact O-N 2.9Å; A584-L601 HydrophobicContact CB-CD2 4.14Å
585	P	95.5	Very high	96.2	Very high	5 Å²	5	21 Å²	21	3%	0.032	10%	0.098	C	C	.	.			trans	-76.7	71.8	179.5	33.2	-32.1	0	0	0	109.1	V344 M555 Q580 H582	V344-P585 WeakPolarHBondContact CG2-O 3.44Å; M555-P585 HydrophobicContact CE-CG 3.38Å; Q580-P585 HydrophobicContact CB-CB 3.59Å; Q580-P585 HydrophobicContact CB-CG 3.88Å; Q580-P585 HydrophobicContact CG-CB 3.8Å; Q580-P585 HydrophobicContact CG-CG 4.06Å; H582-P585 HydrophobicContact CB-CB 4.41Å; H582-P585 WeakPolarHBondContact O-CD 3.38Å
586	L	95.9	Very high	95.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-132.5	157.2	178.1	-76.1	171.4	0	0	0	109	V344 I551 K554 M555 A584 I590	V344-L586 HydrophobicContact CB-CD2 4.1Å; V344-L586 HydrophobicContact CG1-CD2 3.9Å; V344-L586 HydrophobicContact CG2-CD2 4.15Å; I551-L586 HydrophobicContact CD1-CD1 3.44Å; I551-L586 VanDerWaalsContact CD1-CD1 3.44Å; I551-L586 HydrophobicContact CD1-CG 4.3Å; K554-L586 HydrophobicContact CB-CD1 3.73Å; K554-L586 HydrophobicContact CD-CD1 4.43Å; M555-L586 HydrophobicContact CG-CD1 4.41Å; M555-L586 HydrophobicContact CG-CD2 4.09Å; M555-L586 HydrophobicContact CG-CG 4.31Å; A584-L586 PolarHBondContact O-N 2.9Å; L586-I590 HydrophobicContact CD1-CG2 4.25Å
587	P	94.7	Very high	95.8	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.019	9%	0.092	C	C	.	.			trans	-57.5	146.1	173.5	-26.1	35.1	0	0	0	112.7	E345 D346 H589 I590 S591	E345-P587 HydrophobicContact CB-CG 3.55Å; D346-P587 WeakPolarHBondContact OD2-CA 3.49Å; P587-H589 WeakPolarHBondContact CB-CE1 3.42Å; P587-H589 WeakPolarHBondContact CB-ND1 3.4Å; P587-H589 PolarHBondContact O-N 3.35Å; P587-H589 VanDerWaalsContact O-N 3.12Å; P587-I590 HydrophobicContact CB-CG1 4.32Å; P587-I590 HydrophobicContact CG-CD1 4.44Å; P587-I590 WeakPolarHBondContact O-CA 3.14Å; P587-I590 WeakPolarHBondContact O-CB 3.3Å; P587-I590 PolarHBondContact O-N 3.28Å; P587-S591 PolarHBondContact O-N 3.33Å
588	L	94.7	Very high	95.7	Very high	30 Å²	30	19.2 Å²	19.2	16%	0.157	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24	-175.9	-68.6	178.6	0	0	0	114.2	K253 M256 F257 I590 P592 V593	K253-L588 HydrophobicContact CG-CD1 4.29Å; M256-L588 HydrophobicContact CE-CD1 3.99Å; M256-L588 HydrophobicContact CE-CD2 4.04Å; M256-L588 HydrophobicContact CE-CG 4.27Å; M256-L588 HydrophobicContact SD-CD2 4.37Å; F257-L588 HydrophobicContact CE2-CD1 3.79Å; F257-L588 HydrophobicContact CE2-CG 4.4Å; F257-L588 HydrophobicContact CZ-CD1 3.87Å; F257-L588 HydrophobicContact CZ-CG 3.97Å; L588-I590 PolarHBondContact O-N 2.92Å; L588-P592 VanDerWaalsContact O-CA 3.29Å; L588-P592 WeakPolarHBondContact O-CA 3.5Å; L588-P592 WeakPolarHBondContact O-CB 3.17Å; L588-V593 HydrophobicContact CD2-CG2 3.62Å
589	H	93	Very high	95.5	Very high	147 Å²	147	20 Å²	20	68%	0.681	10%	0.095	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.5	175.7	69.2	-92.3	0	0	0	112.7	P587	P587-H589 WeakPolarHBondContact CB-CE1 3.42Å; P587-H589 WeakPolarHBondContact CB-ND1 3.4Å; P587-H589 PolarHBondContact O-N 3.35Å; P587-H589 VanDerWaalsContact O-N 3.12Å
590	I	94.8	Very high	95.3	Very high	27 Å²	27	19.9 Å²	19.9	14%	0.138	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-41.5	179.5	-50.6	-163.1	0	0	0	111.5	K554 N558 L586 P587 L588	K554-I590 PolarHBondContact NZ-O 3.36Å; N558-I590 HydrophobicContact CB-CD1 3.57Å; N558-I590 VanDerWaalsContact OD1-CD1 3.31Å; N558-I590 WeakPolarHBondContact OD1-CD1 3.47Å; L586-I590 HydrophobicContact CD1-CG2 4.25Å; P587-I590 HydrophobicContact CB-CG1 4.32Å; P587-I590 HydrophobicContact CG-CD1 4.44Å; P587-I590 WeakPolarHBondContact O-CA 3.14Å; P587-I590 WeakPolarHBondContact O-CB 3.3Å; P587-I590 PolarHBondContact O-N 3.28Å; L588-I590 PolarHBondContact O-N 2.92Å
591	S	95.6	Very high	95.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-132.6	83.9	177.4	-170.7	0	0	0	0	109.3	P587	P587-S591 PolarHBondContact O-N 3.33Å
592	P	95.7	Very high	95.2	Very high	36 Å²	36	20.4 Å²	20.4	23%	0.234	10%	0.096	C	C	.	.			trans	-71.9	142.1	-177.3	32.3	-36.5	0	0	0	110.5	D506 L507 L508 L588	D506-P592 HydrophobicContact CB-CG 4.44Å; L507-P592 WeakPolarHBondContact CA-O 3.45Å; L507-P592 HydrophobicContact CD2-CB 3.73Å; L507-P592 HydrophobicContact CD2-CG 4.05Å; L508-P592 PolarHBondContact N-O 3.26Å; L588-P592 VanDerWaalsContact O-CA 3.29Å; L588-P592 WeakPolarHBondContact O-CA 3.5Å; L588-P592 WeakPolarHBondContact O-CB 3.17Å
593	V	95.5	Very high	95.1	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.042	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-131.1	150.6	-179.3	-50.7	0	0	0	0	110.3	M256 L508 L588 W595 D598	M256-V593 HydrophobicContact SD-CG2 3.58Å; M256-V593 VanDerWaalsContact SD-CG2 3.58Å; L508-V593 HydrophobicContact CB-CG1 4.23Å; L508-V593 CarbonylContact O-C 3.49Å; L508-V593 WeakPolarHBondContact O-CA 3.3Å; L588-V593 HydrophobicContact CD2-CG2 3.62Å; V593-W595 PolarHBondContact O-N 3.49Å; V593-D598 HydrophobicContact CG2-CB 4.44Å; V593-D598 VanDerWaalsContact CG2-OD1 3.28Å; V593-D598 WeakPolarHBondContact CG2-OD1 3.28Å
594	Y	94.8	Very high	94.9	Very high	35 Å²	35	21.4 Å²	21.4	14%	0.137	10%	0.1	C	C	.	.			trans	-69.1	108.6	164.4	-68.2	-73.9	0	0	0	108.3	L246 F247 L507 L508 C596 L597 D598	L246-Y594 HydrophobicContact CD1-CD1 3.66Å; L246-Y594 HydrophobicContact CD1-CD2 4.07Å; L246-Y594 HydrophobicContact CD1-CE1 3.75Å; L246-Y594 HydrophobicContact CD1-CE2 4.16Å; L246-Y594 HydrophobicContact CD1-CG 3.82Å; L246-Y594 HydrophobicContact CD2-CE1 4.03Å; L246-Y594 HydrophobicContact CG-CD1 3.79Å; L246-Y594 HydrophobicContact CG-CE1 3.61Å; L246-Y594 HydrophobicContact CG-CG 4.46Å; L246-Y594 VanDerWaalsContact O-CD1 3.28Å; L246-Y594 WeakPolarHBondContact O-CD1 3.34Å; F247-Y594 HydrophobicContact CE1-CE1 4.08Å; L507-Y594 HydrophobicContact CB-CD2 4.42Å; L507-Y594 HydrophobicContact CB-CE2 3.87Å; L507-Y594 HydrophobicContact CD1-CE1 4.16Å; L507-Y594 HydrophobicContact CD1-CE2 4.39Å; L508-Y594 WeakPolarHBondContact O-CD2 3.5Å; L508-Y594 PolarHBondContact O-N 3.46Å; Y594-C596 PolarHBondContact O-N 3.08Å; Y594-C596 VanDerWaalsContact O-N 3.13Å; Y594-L597 CarbonylContact O-C 3.59Å; Y594-L597 WeakPolarHBondContact O-CA 3.49Å; Y594-L597 PolarHBondContact O-N 2.91Å; Y594-D598 PolarHBondContact O-N 3.27Å
595	W	94.5	Very high	94.7	Very high	78 Å²	78	21.7 Å²	21.7	30%	0.295	10%	0.102	S	C	.	.	G	3₁₀ helix	trans	-53.3	-39.3	-174.9	-50.3	-33.9	0	0	0	112.8	D249 D252 K253 M256 V593 L597 D598	D249-W595 WeakPolarHBondContact O-CZ3 2.93Å; D252-W595 HydrophobicContact CB-CB 4.26Å; D252-W595 HydrophobicContact CB-CE3 4.47Å; K253-W595 HydrophobicContact CB-CD2 3.65Å; K253-W595 HydrophobicContact CB-CE3 3.71Å; K253-W595 HydrophobicContact CB-CG 4.23Å; K253-W595 HydrophobicContact CB-CH2 4.08Å; K253-W595 HydrophobicContact CB-CZ2 4.03Å; K253-W595 HydrophobicContact CB-CZ3 3.93Å; K253-W595 HydrophobicContact CD-CH2 4.18Å; K253-W595 HydrophobicContact CD-CZ2 3.79Å; K253-W595 HydrophobicContact CG-CD2 4.12Å; K253-W595 HydrophobicContact CG-CH2 4.44Å; K253-W595 HydrophobicContact CG-CZ2 3.96Å; M256-W595 HydrophobicContact SD-CB 4.36Å; M256-W595 HydrophobicContact SD-CG 4.36Å; V593-W595 PolarHBondContact O-N 3.49Å; W595-L597 PolarHBondContact O-N 2.93Å; W595-D598 WeakPolarHBondContact O-CB 3.47Å; W595-D598 PolarHBondContact O-N 3.43Å
596	C	92.8	Very high	94.7	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-73.2	-10.2	178.6	-61.9	0	0	0	0	114.9	Y244 S245 G248 D252 Y594	Y244-C596 HydrophobicContact CD1-CB 3.53Å; Y244-C596 HydrophobicContact CE1-CB 4.33Å; Y244-C596 HydrophobicContact CG-CB 3.98Å; S245-C596 VanDerWaalsContact O-CB 3.24Å; S245-C596 WeakPolarHBondContact O-CB 3.42Å; G248-C596 WeakPolarHBondContact CA-SG 3.2Å; D252-C596 VanDerWaalsContact CG-SG 3.57Å; Y594-C596 PolarHBondContact O-N 3.08Å; Y594-C596 VanDerWaalsContact O-N 3.13Å
597	L	93.4	Very high	94.7	Very high	18 Å²	18	21.8 Å²	21.8	9%	0.094	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-119.5	11.4	176.6	-63.9	178	0	0	0	112.2	L246 P509 M511 Y594 W595 H599 S600	L246-L597 HydrophobicContact CD1-CD1 3.71Å; P509-L597 HydrophobicContact CG-CB 3.9Å; P509-L597 HydrophobicContact CG-CD1 3.9Å; M511-L597 HydrophobicContact CE-CD1 4.46Å; Y594-L597 CarbonylContact O-C 3.59Å; Y594-L597 WeakPolarHBondContact O-CA 3.49Å; Y594-L597 PolarHBondContact O-N 2.91Å; W595-L597 PolarHBondContact O-N 2.93Å; L597-H599 PolarHBondContact O-N 3.34Å; L597-S600 VanDerWaalsContact O-CB 3.31Å; L597-S600 WeakPolarHBondContact O-CB 3.31Å; L597-S600 PolarHBondContact O-N 2.92Å; L597-S600 PolarHBondContact O-OG 3Å
598	D	95.6	Very high	94.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-58.9	-33.2	-178.3	-165.9	58.1	0	0	0	112.3	M256 R260 H582 V593 Y594 W595 S600 L601 Y602	M256-D598 HydrophobicContact CG-CB 3.59Å; M256-D598 VanDerWaalsContact CG-CG 3.43Å; M256-D598 WeakPolarHBondContact CG-OD2 3.3Å; M256-D598 HydrophobicContact SD-CB 4.02Å; R260-D598 IonicContact CZ-OD1 3.5Å; R260-D598 IonicContact CZ-OD2 2.72Å; R260-D598 IonicContact NE-OD1 3.6Å; R260-D598 IonicContact NE-OD2 3.24Å; R260-D598 PolarHBondContact NE-OD2 3.08Å; R260-D598 IonicContact NH2-OD1 2.66Å; R260-D598 PolarHBondContact NH2-OD1 3.34Å; R260-D598 IonicContact NH2-OD2 2.72Å; R260-D598 PolarHBondContact NH2-OD2 3.31Å; H582-D598 IonicContact CE1-OD1 2.77Å; H582-D598 IonicContact NE2-OD1 3.82Å; H582-D598 PolarHBondContact NE2-OD1 3.3Å; H582-D598 IonicContact NE2-OD2 2.74Å; V593-D598 HydrophobicContact CG2-CB 4.44Å; V593-D598 VanDerWaalsContact CG2-OD1 3.28Å; V593-D598 WeakPolarHBondContact CG2-OD1 3.28Å; Y594-D598 PolarHBondContact O-N 3.27Å; W595-D598 WeakPolarHBondContact O-CB 3.47Å; W595-D598 PolarHBondContact O-N 3.43Å; D598-S600 PolarHBondContact O-N 3.3Å; D598-S600 VanDerWaalsContact O-N 3.08Å; D598-L601 WeakPolarHBondContact O-CB 3.24Å; D598-L601 WeakPolarHBondContact O-CD1 3.38Å; D598-L601 PolarHBondContact O-N 3.33Å; D598-Y602 WeakPolarHBondContact O-CD1 3.46Å; D598-Y602 WeakPolarHBondContact OD2-CE1 3.43Å
599	H	94.1	Very high	94.9	Very high	15 Å²	15	22 Å²	22	7%	0.069	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-60.7	-21.3	177.3	68.8	-80	0	0	0	114.1	I225 K227 L597 L601 Y602	I225-H599 PolarHBondContact O-NE2 2.99Å; K227-H599 HydrophobicContact CB-CB 4.42Å; K227-H599 HydrophobicContact CD-CB 4.32Å; K227-H599 HydrophobicContact CG-CB 3.79Å; L597-H599 PolarHBondContact O-N 3.34Å; H599-L601 PolarHBondContact O-N 3.22Å; H599-Y602 HydrophobicContact CB-CD2 3.84Å; H599-Y602 HydrophobicContact CB-CE2 3.74Å; H599-Y602 HydrophobicContact CB-CG 4.38Å; H599-Y602 WeakPolarHBondContact O-CB 3.15Å; H599-Y602 PolarHBondContact O-N 2.93Å
600	S	94	Very high	95.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	-67.7	-17.7	173.9	69.6	0	0	0	0	113.2	A222 H536 L597 D598	A222-S600 WeakPolarHBondContact O-CB 3.35Å; H536-S600 PolarHBondContact NE2-O 2.98Å; L597-S600 VanDerWaalsContact O-CB 3.31Å; L597-S600 WeakPolarHBondContact O-CB 3.31Å; L597-S600 PolarHBondContact O-N 2.92Å; L597-S600 PolarHBondContact O-OG 3Å; D598-S600 PolarHBondContact O-N 3.3Å; D598-S600 VanDerWaalsContact O-N 3.08Å
601	L	96.9	Very high	95.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-94.3	-3.5	175.6	-63.4	97.9	0	0	0	113.2	L508 P534 H582 L583 A584 D598 H599	L508-L601 HydrophobicContact CB-CD1 4.49Å; L508-L601 HydrophobicContact CB-CD2 3.93Å; L508-L601 HydrophobicContact CD1-CD2 3.82Å; L508-L601 HydrophobicContact CG-CD2 4.47Å; P534-L601 HydrophobicContact CG-CG 4.39Å; H582-L601 WeakPolarHBondContact CA-O 3.38Å; H582-L601 WeakPolarHBondContact NE2-CB 3.46Å; L583-L601 HydrophobicContact CB-CB 4.3Å; L583-L601 HydrophobicContact CB-CD2 4.42Å; L583-L601 PolarHBondContact N-O 3.33Å; A584-L601 HydrophobicContact CB-CD2 4.14Å; D598-L601 WeakPolarHBondContact O-CB 3.24Å; D598-L601 WeakPolarHBondContact O-CD1 3.38Å; D598-L601 PolarHBondContact O-N 3.33Å; H599-L601 PolarHBondContact O-N 3.22Å
602	Y	96.1	Very high	95.5	Very high	23 Å²	23	13.7 Å²	13.7	9%	0.09	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-70.5	138.4	-179.6	-65.6	-3.4	0	0	0	110.8	E259 R260 L263 S581 H582 D598 H599	E259-Y602 WeakPolarHBondContact CB-OH 3.4Å; E259-Y602 PolarHBondContact OE2-OH 3.3Å; R260-Y602 HydrophobicContact CG-CE1 4.06Å; L263-Y602 HydrophobicContact CD2-CD1 4.2Å; L263-Y602 HydrophobicContact CD2-CD2 3.63Å; L263-Y602 HydrophobicContact CD2-CE2 4.16Å; L263-Y602 HydrophobicContact CD2-CG 3.66Å; S581-Y602 WeakPolarHBondContact O-CA 3.47Å; H582-Y602 AromaticContact CD2-CD1 3.61Å; H582-Y602 AromaticContact CD2-CE1 3.77Å; D598-Y602 WeakPolarHBondContact O-CD1 3.46Å; D598-Y602 WeakPolarHBondContact OD2-CE1 3.43Å; H599-Y602 HydrophobicContact CB-CD2 3.84Å; H599-Y602 HydrophobicContact CB-CE2 3.74Å; H599-Y602 HydrophobicContact CB-CG 4.38Å; H599-Y602 WeakPolarHBondContact O-CB 3.15Å; H599-Y602 PolarHBondContact O-N 2.93Å
603	L	95.5	Very high	95.6	Very high	1 Å²	1	12 Å²	12	1%	0.005	5%	0.053	C	C	.	.			trans	-104.6	51.3	174.1	-62.6	173.7	0	0	0	109.7	V545 L577 S581 L583 L606 P607 I610	V545-L603 HydrophobicContact CG1-CD2 4.45Å; V545-L603 HydrophobicContact CG2-CD2 4.49Å; L577-L603 HydrophobicContact CD2-CD1 4.11Å; L577-L603 HydrophobicContact CG-CD1 3.82Å; S581-L603 PolarHBondContact O-N 3.05Å; S581-L603 PolarHBondContact OG-O 2.91Å; L583-L603 HydrophobicContact CD2-CD1 4.14Å; L583-L603 HydrophobicContact CD2-CD2 3.84Å; L583-L603 HydrophobicContact CD2-CG 4.28Å; L583-L603 HydrophobicContact CG-CD1 4.38Å; L583-L603 HydrophobicContact CG-CD2 3.92Å; L583-L603 HydrophobicContact CG-CG 4.15Å; L603-L606 HydrophobicContact CB-CD2 4.4Å; L603-L606 WeakPolarHBondContact O-CD2 3.5Å; L603-P607 HydrophobicContact CD2-CG 4.19Å; L603-I610 HydrophobicContact CD1-CD1 3.66Å; L603-I610 HydrophobicContact CD2-CD1 3.7Å; L603-I610 HydrophobicContact CD2-CG1 4.26Å; L603-I610 HydrophobicContact CG-CD1 4.26Å
604	Y	93	Very high	95.7	Very high	23 Å²	23	11.8 Å²	11.8	9%	0.09	5%	0.052	C	C	.	.			trans	-135.7	131.8	178.2	-166.3	-99.2	0	0	0	112.6	F237 L263 Q266 E371 S376 H380 L383	F237-Y604 HydrophobicContact CD2-CE1 4.36Å; F237-Y604 HydrophobicContact CE1-CD1 4.34Å; F237-Y604 HydrophobicContact CE1-CE1 4.39Å; F237-Y604 HydrophobicContact CE2-CD1 4.15Å; F237-Y604 AromaticContact CE2-CE1 3.41Å; F237-Y604 HydrophobicContact CE2-CE1 3.41Å; F237-Y604 VanDerWaalsContact CE2-CE1 3.41Å; F237-Y604 AromaticContact CZ-CD1 3.72Å; F237-Y604 HydrophobicContact CZ-CD1 3.72Å; F237-Y604 AromaticContact CZ-CE1 3.43Å; F237-Y604 HydrophobicContact CZ-CE1 3.43Å; F237-Y604 VanDerWaalsContact CZ-CE1 3.43Å; L263-Y604 HydrophobicContact CD1-CD1 3.91Å; L263-Y604 HydrophobicContact CD1-CG 3.89Å; L263-Y604 HydrophobicContact CG-CG 4.45Å; Q266-Y604 VanDerWaalsContact NE2-CE2 3.3Å; Q266-Y604 PolarHBondContact NE2-OH 3.47Å; E371-Y604 WeakPolarHBondContact OE1-CE2 3.49Å; E371-Y604 PolarHBondContact OE1-OH 3.39Å; S376-Y604 WeakPolarHBondContact CB-OH 3.48Å; S376-Y604 WeakPolarHBondContact OG-CE2 3.27Å; S376-Y604 PolarHBondContact OG-OH 3.27Å; H380-Y604 PolarHBondContact CD2-OH 2.92Å; L383-Y604 HydrophobicContact CD2-CD1 4.26Å; L383-Y604 HydrophobicContact CD2-CE1 4.09Å
605	P	93	Very high	95.7	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.032	6%	0.057	C	C	.	.	S	Bend	cis	-56.3	160.1	-18	-24.5	38.5	0	0	0	110.7	L383 F385 R543	L383-P605 HydrophobicContact CD2-CG 3.69Å; F385-P605 HydrophobicContact CD1-CB 4.44Å; F385-P605 HydrophobicContact CD1-CG 4.04Å; F385-P605 HydrophobicContact CE1-CB 3.8Å; F385-P605 HydrophobicContact CE1-CG 3.45Å; F385-P605 VanDerWaalsContact CE1-CG 3.45Å; F385-P605 HydrophobicContact CZ-CG 4.01Å; R543-P605 PolarHBondContact NH1-O 3.44Å
606	L	95.1	Very high	95.8	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.021	5%	0.052	C	C	.	.	P	Polyproline II helix	trans	-54.6	136.5	-179.6	-70.9	-172.5	0	0	0	110.9	I370 E371 A373 L578 L603 A624 C626	I370-L606 HydrophobicContact CG2-CD1 3.76Å; E371-L606 WeakPolarHBondContact O-CD1 3.39Å; E371-L606 WeakPolarHBondContact O-CG 3.4Å; A373-L606 WeakPolarHBondContact CB-O 3.4Å; L578-L606 HydrophobicContact CB-CD2 4.42Å; L578-L606 HydrophobicContact CD2-CD2 3.82Å; L603-L606 HydrophobicContact CB-CD2 4.4Å; L603-L606 WeakPolarHBondContact O-CD2 3.5Å; L606-A624 HydrophobicContact CD1-CB 4.15Å; L606-C626 HydrophobicContact CB-CB 4.18Å; L606-C626 HydrophobicContact CD1-CB 3.91Å
607	P	95.3	Very high	95.9	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.026	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-76.1	164.3	171.6	33.3	-35.6	0	0	0	111.2	R543 V545 L603 I610 C626	R543-P607 HydrophobicContact CB-CB 4.07Å; R543-P607 WeakPolarHBondContact O-CB 3.22Å; V545-P607 HydrophobicContact CG2-CB 3.82Å; V545-P607 HydrophobicContact CG2-CG 3.85Å; L603-P607 HydrophobicContact CD2-CG 4.19Å; P607-I610 HydrophobicContact CG-CD1 3.89Å; P607-I610 HydrophobicContact CG-CG1 3.44Å; P607-I610 VanDerWaalsContact CG-CG1 3.44Å; P607-C626 WeakPolarHBondContact O-CB 3.46Å; P607-C626 PolarHBondContact O-SG 2.92Å
608	D	96.4	Very high	96.1	Very high	36 Å²	36	17.9 Å²	17.9	19%	0.193	9%	0.085	C	C	.	.	S	Bend	trans	-69.9	-36.9	174	-56	-103.7	0	0	0	111.8	Q542 R543 R627 R649	Q542-D608 WeakPolarHBondContact CA-OD2 3.4Å; Q542-D608 HydrophobicContact CB-CB 4.42Å; Q542-D608 HydrophobicContact CG-CB 4.42Å; R543-D608 PolarHBondContact N-OD2 3.18Å; R543-D608 PolarHBondContact O-N 2.88Å; D608-R627 PolarHBondContact O-N 2.93Å; D608-R649 IonicContact OD1-CZ 3.55Å; D608-R649 IonicContact OD1-NH1 3.72Å; D608-R649 PolarHBondContact OD1-NH1 3.44Å; D608-R649 IonicContact OD1-NH2 3.79Å
609	L	98.5	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.4	-179.1	-177.1	65.3	0	0	0	112	F414 R543 I544 V545 V611 R627 T629 Y644 V651	F414-L609 HydrophobicContact CE2-CD2 4.05Å; F414-L609 HydrophobicContact CZ-CD2 4.29Å; R543-L609 PolarHBondContact O-N 2.95Å; R543-L609 VanDerWaalsContact O-N 3.12Å; I544-L609 CarbonylContact C-O 3.57Å; I544-L609 WeakPolarHBondContact CA-O 3.46Å; I544-L609 HydrophobicContact CB-CB 4.46Å; I544-L609 HydrophobicContact CG1-CB 4.15Å; I544-L609 HydrophobicContact CG1-CD2 4.36Å; I544-L609 HydrophobicContact CG2-CB 4.24Å; I544-L609 HydrophobicContact CG2-CD2 3.93Å; I544-L609 HydrophobicContact CG2-CG 4.23Å; V545-L609 PolarHBondContact N-O 3.42Å; L609-V611 HydrophobicContact CD2-CG2 3.89Å; L609-V611 HydrophobicContact CG-CG2 3.9Å; L609-R627 CarbonylContact C-O 3.55Å; L609-R627 VanDerWaalsContact CA-O 3.28Å; L609-R627 WeakPolarHBondContact CA-O 3.27Å; L609-R627 HydrophobicContact CD1-CB 3.94Å; L609-R627 HydrophobicContact CD1-CG 3.88Å; L609-T629 HydrophobicContact CD1-CG2 3.89Å; L609-Y644 HydrophobicContact CD2-CD1 3.73Å; L609-Y644 HydrophobicContact CD2-CD2 3.77Å; L609-Y644 HydrophobicContact CD2-CE1 3.97Å; L609-Y644 HydrophobicContact CD2-CE2 4Å; L609-Y644 HydrophobicContact CD2-CG 3.6Å; L609-V651 HydrophobicContact CD1-CG2 4.13Å
610	I	98.6	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.2	167.6	-53.8	176.1	0	0	0	108.2	V545 L577 L578 L583 L603 P607 R627 I628 T629	V545-I610 CarbonylContact O-C 3.58Å; V545-I610 WeakPolarHBondContact O-CA 3.36Å; L577-I610 HydrophobicContact CD2-CD1 4.3Å; L577-I610 HydrophobicContact CD2-CG2 4.33Å; L578-I610 HydrophobicContact CD2-CD1 3.73Å; L583-I610 HydrophobicContact CD2-CG2 3.99Å; L603-I610 HydrophobicContact CD1-CD1 3.66Å; L603-I610 HydrophobicContact CD2-CD1 3.7Å; L603-I610 HydrophobicContact CD2-CG1 4.26Å; L603-I610 HydrophobicContact CG-CD1 4.26Å; P607-I610 HydrophobicContact CG-CD1 3.89Å; P607-I610 HydrophobicContact CG-CG1 3.44Å; P607-I610 VanDerWaalsContact CG-CG1 3.44Å; I610-R627 PolarHBondContact N-O 3.34Å; I610-I628 HydrophobicContact CB-CG1 4.15Å; I610-I628 HydrophobicContact CB-CG2 4.25Å; I610-I628 HydrophobicContact CD1-CG1 4.05Å; I610-I628 HydrophobicContact CG1-CG1 4.38Å; I610-I628 HydrophobicContact CG2-CG2 4.49Å; I610-I628 CarbonylContact O-C 3.46Å; I610-I628 WeakPolarHBondContact O-CA 3.45Å; I610-T629 PolarHBondContact O-N 3.47Å
611	V	98.8	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	103.7	176.3	-166.5	0	0	0	0	108.4	F414 I544 V545 V546 F547 L609 C613 T629 P631	F414-V611 HydrophobicContact CB-CG1 4.05Å; F414-V611 HydrophobicContact CD1-CB 4.3Å; F414-V611 HydrophobicContact CD1-CG1 3.86Å; F414-V611 HydrophobicContact CD1-CG2 4.05Å; F414-V611 HydrophobicContact CD2-CG1 4.31Å; F414-V611 HydrophobicContact CD2-CG2 4.14Å; F414-V611 HydrophobicContact CE1-CB 4.4Å; F414-V611 HydrophobicContact CE1-CG1 4.43Å; F414-V611 HydrophobicContact CE1-CG2 3.79Å; F414-V611 HydrophobicContact CE2-CG2 3.85Å; F414-V611 HydrophobicContact CG-CG1 3.82Å; F414-V611 HydrophobicContact CG-CG2 4.24Å; F414-V611 HydrophobicContact CZ-CG2 3.69Å; I544-V611 HydrophobicContact CG2-CG2 4.26Å; V545-V611 PolarHBondContact O-N 2.97Å; V546-V611 HydrophobicContact CG2-CB 4.5Å; F547-V611 PolarHBondContact N-O 3.06Å; F547-V611 VanDerWaalsContact O-O 3.12Å; L609-V611 HydrophobicContact CD2-CG2 3.89Å; L609-V611 HydrophobicContact CG-CG2 3.9Å; V611-C613 VanDerWaalsContact C-N 3.32Å; V611-C613 VanDerWaalsContact CG1-SG 3.59Å; V611-C613 PolarHBondContact O-N 3.37Å; V611-T629 CarbonylContact C-O 3.46Å; V611-T629 WeakPolarHBondContact CA-O 3.35Å; V611-T629 HydrophobicContact CB-CG2 4.38Å; V611-T629 HydrophobicContact CG1-CG2 4.15Å; V611-T629 HydrophobicContact CG2-CG2 4.03Å; V611-P631 HydrophobicContact CG1-CG 3.88Å
612	C	98	Very high	96.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.			trans	-78.5	-12.9	-171.7	-62.5	0	0	0	0	114.6	F547 D614 T629	F547-C612 CarbonylContact O-C 3.58Å; F547-C612 WeakPolarHBondContact O-CA 3.32Å; C612-D614 PolarHBondContact O-N 3.45Å; C612-T629 PolarHBondContact N-O 3Å
613	C	98.5	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.138	C	C	.	.			trans	38.4	42	178	-64	0	0	0	0	113.3	S416 T450 F547 R548 V611	S416-C613 VanDerWaalsContact OG-C 3.25Å; S416-C613 PolarHBondContact OG-O 3.44Å; T450-C613 HydrophobicContact CG2-CB 4.1Å; T450-C613 VanDerWaalsContact CG2-SG 3.51Å; T450-C613 WeakPolarHBondContact OG1-CB 3.47Å; F547-C613 WeakPolarHBondContact O-CB 3.41Å; F547-C613 PolarHBondContact O-N 3.07Å; R548-C613 HydrophobicContact CB-CB 4.21Å; R548-C613 WeakPolarHBondContact CD-O 3.47Å; R548-C613 VanDerWaalsContact CZ-O 3.28Å; R548-C613 PolarHBondContact NE-O 3.44Å; R548-C613 PolarHBondContact NH1-O 3.42Å; V611-C613 VanDerWaalsContact C-N 3.32Å; V611-C613 VanDerWaalsContact CG1-SG 3.59Å; V611-C613 PolarHBondContact O-N 3.37Å
614	D	97.1	Very high	96.6	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.151	C	C	.	.			trans	-80.8	160	178.9	-160.4	-52.3	0	0	0	109.7	D550 I551 V552 C612 Y616 N630	D550-D614 VanDerWaalsContact C-OD2 3.24Å; D550-D614 WeakPolarHBondContact CA-OD2 3.39Å; I551-D614 PolarHBondContact N-OD2 3.38Å; V552-D614 HydrophobicContact CG2-CB 4.43Å; V552-D614 WeakPolarHBondContact CG2-OD2 3.48Å; V552-D614 PolarHBondContact N-OD2 2.92Å; C612-D614 PolarHBondContact O-N 3.45Å; D614-Y616 PolarHBondContact O-N 2.96Å; D614-Y616 PolarHBondContact OD1-N 3.39Å; D614-N630 WeakPolarHBondContact CA-OD1 3.5Å; D614-N630 PolarHBondContact N-OD1 2.98Å; D614-N630 PolarHBondContact O-OD1 3.01Å
615	K	94.9	Very high	96.7	Very high	55 Å²	55	33.3 Å²	33.3	24%	0.239	18%	0.177	C	C	.	.	S	Bend	trans	-71.7	-14.3	166.5	-72.3	172.2	-173.7	146.1	0	112.6	D417 E452 D550	D417-K615 HydrophobicContact CB-CG 4.28Å; D417-K615 WeakPolarHBondContact OD1-CE 3.47Å; E452-K615 VanDerWaalsContact CD-NZ 3.33Å; E452-K615 IonicContact OE1-NZ 3.59Å; E452-K615 PolarHBondContact OE1-NZ 2.94Å; E452-K615 IonicContact OE2-NZ 3.63Å; D550-K615 WeakPolarHBondContact OD1-CD 3.46Å; D550-K615 VanDerWaalsContact OD1-CG 3.29Å; D550-K615 WeakPolarHBondContact OD1-CG 3.29Å; D550-K615 PolarHBondContact OD1-N 3.18Å; D550-K615 IonicContact OD1-NZ 3.45Å; D550-K615 WeakPolarHBondContact OD2-CE 3.4Å; D550-K615 IonicContact OD2-NZ 3.85Å; D550-K615 PolarHBondContact OD2-NZ 3.2Å
616	Y	96	Very high	96.9	Very high	52 Å²	52	33 Å²	33	20%	0.204	18%	0.175	C	C	.	.	S	Bend	trans	-53	159.5	174.3	-163.5	-103.6	0	0	0	111.9	V552 P570 D614 F619 N630 G632	V552-Y616 HydrophobicContact CB-CD2 4.32Å; V552-Y616 HydrophobicContact CB-CG 4.23Å; V552-Y616 HydrophobicContact CG1-CD1 4.31Å; V552-Y616 HydrophobicContact CG1-CD2 3.72Å; V552-Y616 HydrophobicContact CG1-CE2 3.99Å; V552-Y616 HydrophobicContact CG1-CG 3.9Å; V552-Y616 HydrophobicContact CG2-CG 4.4Å; P570-Y616 HydrophobicContact CG-CE1 4.14Å; D614-Y616 PolarHBondContact O-N 2.96Å; D614-Y616 PolarHBondContact OD1-N 3.39Å; Y616-F619 AromaticContact CD1-CD1 3.83Å; Y616-F619 HydrophobicContact CD1-CD1 3.83Å; Y616-F619 AromaticContact CD1-CE1 3.79Å; Y616-F619 HydrophobicContact CD1-CE1 3.79Å; Y616-F619 HydrophobicContact CE1-CD1 4.21Å; Y616-F619 HydrophobicContact CE1-CE1 4.4Å; Y616-N630 PolarHBondContact O-ND2 3.49Å; Y616-G632 VanDerWaalsContact O-CA 3.28Å; Y616-G632 WeakPolarHBondContact O-CA 3.37Å
617	K	95.3	Very high	97.1	Very high	98 Å²	98	35.8 Å²	35.8	43%	0.426	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-56.8	153.9	178.9	61.6	178.3	179.1	-177.7	0	111.4	F619 N630	K617-F619 WeakPolarHBondContact O-CD1 3.49Å; K617-N630 PolarHBondContact O-ND2 3.33Å
618	P	97.5	Very high	97.2	Very high	55 Å²	55	35.6 Å²	35.6	36%	0.357	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-59.6	141.6	177.2	-22.3	32.4	0	0	0	112.4	N630 P631 V640	P618-N630 WeakPolarHBondContact CA-O 3.43Å; P618-P631 WeakPolarHBondContact CG-O 3.45Å; P618-V640 HydrophobicContact CG-CB 4.33Å; P618-V640 HydrophobicContact CG-CG2 4.07Å
619	F	98	Very high	97.3	Very high	14 Å²	14	33.9 Å²	33.9	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158.2	171.6	63.7	-98.5	0	0	0	110.5	P570 F573 Y616 K617 E621 I628 T629 N630	P570-F619 HydrophobicContact CB-CB 3.99Å; P570-F619 HydrophobicContact CB-CD1 4.12Å; P570-F619 HydrophobicContact CB-CD2 3.93Å; P570-F619 HydrophobicContact CB-CE2 4.45Å; P570-F619 HydrophobicContact CB-CG 3.76Å; P570-F619 HydrophobicContact CG-CB 4.16Å; P570-F619 HydrophobicContact CG-CD1 4.2Å; P570-F619 HydrophobicContact CG-CG 4.17Å; F573-F619 HydrophobicContact CD1-CE2 4.34Å; F573-F619 AromaticContact CD1-CZ 3.85Å; F573-F619 HydrophobicContact CD1-CZ 3.85Å; F573-F619 AromaticContact CE1-CZ 3.98Å; F573-F619 HydrophobicContact CE1-CZ 3.98Å; Y616-F619 AromaticContact CD1-CD1 3.83Å; Y616-F619 HydrophobicContact CD1-CD1 3.83Å; Y616-F619 AromaticContact CD1-CE1 3.79Å; Y616-F619 HydrophobicContact CD1-CE1 3.79Å; Y616-F619 HydrophobicContact CE1-CD1 4.21Å; Y616-F619 HydrophobicContact CE1-CE1 4.4Å; K617-F619 WeakPolarHBondContact O-CD1 3.49Å; F619-E621 HydrophobicContact CD2-CG 4.45Å; F619-I628 HydrophobicContact CE2-CG2 4.48Å; F619-T629 WeakPolarHBondContact O-CA 3.3Å; F619-T629 PolarHBondContact O-OG1 3.15Å; F619-N630 HydrophobicContact CD1-CB 3.67Å; F619-N630 HydrophobicContact CD2-CB 4.31Å; F619-N630 HydrophobicContact CE1-CB 3.36Å; F619-N630 HydrophobicContact CE2-CB 4.04Å; F619-N630 HydrophobicContact CG-CB 4.14Å; F619-N630 HydrophobicContact CZ-CB 3.56Å; F619-N630 PolarHBondContact N-O 2.91Å; F619-N630 PolarHBondContact O-N 2.97Å
620	T	98.3	Very high	97.3	Very high	47 Å²	47	33.9 Å²	33.9	29%	0.288	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	125.4	169.8	-62.5	0	0	0	0	108.9	R627 I628 T629 Q642 V651	T620-R627 HydrophobicContact CG2-CG 3.85Å; T620-I628 CarbonylContact C-O 3.39Å; T620-I628 WeakPolarHBondContact CA-O 3.47Å; T620-T629 PolarHBondContact OG1-OG1 2.75Å; T620-Q642 PolarHBondContact OG1-NE2 2.95Å; T620-V651 HydrophobicContact CG2-CB 4.38Å
621	E	97.6	Very high	97.3	Very high	64 Å²	64	33.9 Å²	33.9	30%	0.299	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.9	176.4	-65.4	-61.1	157.9	0	0	109.6	P570 C574 F619 R627 I628	P570-E621 HydrophobicContact CB-CG 4.42Å; C574-E621 HydrophobicContact CB-CB 4.23Å; C574-E621 HydrophobicContact CB-CG 4.48Å; F619-E621 HydrophobicContact CD2-CG 4.45Å; E621-R627 WeakPolarHBondContact O-CA 3.44Å; E621-I628 PolarHBondContact N-O 3.35Å; E621-I628 PolarHBondContact O-N 3.07Å
622	T	97.7	Very high	97.3	Very high	78 Å²	78	34 Å²	34	48%	0.479	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	123.2	173	-60.1	0	0	0	0	109.3	C626 R627	T622-C626 WeakPolarHBondContact CA-O 3.45Å; T622-R627 PolarHBondContact OG1-NE 3.48Å
623	I	97	Very high	97.3	Very high	31 Å²	31	34.2 Å²	34.2	16%	0.159	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	128.8	-177.4	-55.6	173.4	0	0	0	108	I370 C574 K575 L578 D625 C626	I370-I623 HydrophobicContact CD1-CG2 3.78Å; C574-I623 HydrophobicContact CB-CD1 3.76Å; K575-I623 HydrophobicContact CG-CD1 3.71Å; L578-I623 HydrophobicContact CD1-CB 3.62Å; L578-I623 HydrophobicContact CD1-CD1 4.33Å; L578-I623 HydrophobicContact CD1-CG1 4.48Å; L578-I623 HydrophobicContact CD1-CG2 3.89Å; I623-D625 VanDerWaalsContact C-N 3.27Å; I623-D625 PolarHBondContact O-N 3.21Å; I623-C626 PolarHBondContact N-O 3.34Å; I623-C626 WeakPolarHBondContact O-CB 3.5Å; I623-C626 PolarHBondContact O-N 2.99Å
624	A	94.6	Very high	97.2	Very high	33 Å²	33	34.2 Å²	34.2	27%	0.273	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	47	179.1	0	0	0	0	0	113.1	I370 S372 L606 C626	I370-A624 HydrophobicContact CG2-CB 3.73Å; S372-A624 VanDerWaalsContact CB-O 3.3Å; S372-A624 WeakPolarHBondContact CB-O 3.31Å; L606-A624 HydrophobicContact CD1-CB 4.15Å; A624-C626 PolarHBondContact O-N 3.39Å
625	D	94.8	Very high	97.2	Very high	119 Å²	119	35.1 Å²	35.1	64%	0.636	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	7.1	-178	-50.8	-51.1	0	0	0	115.7	I623	I623-D625 VanDerWaalsContact C-N 3.27Å; I623-D625 PolarHBondContact O-N 3.21Å
626	C	97.5	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	124.9	169.9	-177.4	0	0	0	0	109.4	L578 L606 P607 T622 I623 A624 I628	L578-C626 HydrophobicContact CD1-CB 4.37Å; L578-C626 HydrophobicContact CD2-CB 4.43Å; L606-C626 HydrophobicContact CB-CB 4.18Å; L606-C626 HydrophobicContact CD1-CB 3.91Å; P607-C626 WeakPolarHBondContact O-CB 3.46Å; P607-C626 PolarHBondContact O-SG 2.92Å; T622-C626 WeakPolarHBondContact CA-O 3.45Å; I623-C626 PolarHBondContact N-O 3.34Å; I623-C626 WeakPolarHBondContact O-CB 3.5Å; I623-C626 PolarHBondContact O-N 2.99Å; A624-C626 PolarHBondContact O-N 3.39Å; C626-I628 HydrophobicContact CB-CD1 4.45Å; C626-I628 WeakPolarHBondContact O-CD1 3.42Å
627	R	98.3	Very high	97.1	Very high	62 Å²	62	38 Å²	38	23%	0.234	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134.2	172.4	-173.2	166	-65.3	-175.5	12.2	110.3	D608 L609 I610 T620 E621 T622 R649 V651	D608-R627 PolarHBondContact O-N 2.93Å; L609-R627 CarbonylContact C-O 3.55Å; L609-R627 VanDerWaalsContact CA-O 3.28Å; L609-R627 WeakPolarHBondContact CA-O 3.27Å; L609-R627 HydrophobicContact CD1-CB 3.94Å; L609-R627 HydrophobicContact CD1-CG 3.88Å; I610-R627 PolarHBondContact N-O 3.34Å; T620-R627 HydrophobicContact CG2-CG 3.85Å; E621-R627 WeakPolarHBondContact O-CA 3.44Å; T622-R627 PolarHBondContact OG1-NE 3.48Å; R627-R649 PolarHBondContact NH1-O 3.34Å; R627-R649 PolarHBondContact NH2-O 3.38Å; R627-V651 HydrophobicContact CG-CG2 4.43Å
628	I	98.6	Very high	96.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	177.5	-54.8	90.1	0	0	0	107.3	C574 L578 I610 F619 T620 E621 C626	C574-I628 HydrophobicContact CB-CD1 4.47Å; L578-I628 HydrophobicContact CD1-CD1 3.7Å; L578-I628 HydrophobicContact CD2-CD1 4.02Å; L578-I628 HydrophobicContact CD2-CG1 4.2Å; L578-I628 HydrophobicContact CG-CD1 4.1Å; I610-I628 HydrophobicContact CB-CG1 4.15Å; I610-I628 HydrophobicContact CB-CG2 4.25Å; I610-I628 HydrophobicContact CD1-CG1 4.05Å; I610-I628 HydrophobicContact CG1-CG1 4.38Å; I610-I628 HydrophobicContact CG2-CG2 4.49Å; I610-I628 CarbonylContact O-C 3.46Å; I610-I628 WeakPolarHBondContact O-CA 3.45Å; F619-I628 HydrophobicContact CE2-CG2 4.48Å; T620-I628 CarbonylContact C-O 3.39Å; T620-I628 WeakPolarHBondContact CA-O 3.47Å; E621-I628 PolarHBondContact N-O 3.35Å; E621-I628 PolarHBondContact O-N 3.07Å; C626-I628 HydrophobicContact CB-CD1 4.45Å; C626-I628 WeakPolarHBondContact O-CD1 3.42Å
629	T	98.6	Very high	96.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	149.6	-175.2	-160.9	0	0	0	0	111.5	L609 I610 V611 C612 F619 T620 Q642 V651	L609-T629 HydrophobicContact CD1-CG2 3.89Å; I610-T629 PolarHBondContact O-N 3.47Å; V611-T629 CarbonylContact C-O 3.46Å; V611-T629 WeakPolarHBondContact CA-O 3.35Å; V611-T629 HydrophobicContact CB-CG2 4.38Å; V611-T629 HydrophobicContact CG1-CG2 4.15Å; V611-T629 HydrophobicContact CG2-CG2 4.03Å; C612-T629 PolarHBondContact N-O 3Å; F619-T629 WeakPolarHBondContact O-CA 3.3Å; F619-T629 PolarHBondContact O-OG1 3.15Å; T620-T629 PolarHBondContact OG1-OG1 2.75Å; T629-Q642 PolarHBondContact OG1-NE2 3.41Å; T629-Q642 PolarHBondContact OG1-OE1 2.89Å; T629-V651 HydrophobicContact CG2-CG1 4.42Å; T629-V651 HydrophobicContact CG2-CG2 4.38Å
630	N	98.6	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.7	176.3	179	45.9	0	0	0	109	D614 Y616 K617 P618 F619 G632 Q642	D614-N630 WeakPolarHBondContact CA-OD1 3.5Å; D614-N630 PolarHBondContact N-OD1 2.98Å; D614-N630 PolarHBondContact O-OD1 3.01Å; Y616-N630 PolarHBondContact O-ND2 3.49Å; K617-N630 PolarHBondContact O-ND2 3.33Å; P618-N630 WeakPolarHBondContact CA-O 3.43Å; F619-N630 HydrophobicContact CD1-CB 3.67Å; F619-N630 HydrophobicContact CD2-CB 4.31Å; F619-N630 HydrophobicContact CE1-CB 3.36Å; F619-N630 HydrophobicContact CE2-CB 4.04Å; F619-N630 HydrophobicContact CG-CB 4.14Å; F619-N630 HydrophobicContact CZ-CB 3.56Å; F619-N630 PolarHBondContact N-O 2.91Å; F619-N630 PolarHBondContact O-N 2.97Å; N630-G632 PolarHBondContact O-N 3.22Å; N630-Q642 PolarHBondContact O-NE2 3.01Å; N630-Q642 PolarHBondContact O-OE1 3.33Å
631	P	98.3	Very high	96.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.			trans	-66.2	-21.9	179.3	-23.1	32.2	0	0	0	114.2	F414 V611 P618 Q642	F414-P631 HydrophobicContact CB-CG 3.63Å; V611-P631 HydrophobicContact CG1-CG 3.88Å; P618-P631 WeakPolarHBondContact CG-O 3.45Å; P631-Q642 HydrophobicContact CB-CB 4.26Å; P631-Q642 HydrophobicContact CB-CG 4.27Å; P631-Q642 HydrophobicContact CG-CB 4.3Å
632	G	97.4	Very high	97	Very high	1 Å²	1	35 Å²	35	1%	0.01	19%	0.186	C	C	.	.			trans	73.8	172.2	-168.2	0	0	0	0	0	113.5	S416 Y616 N630 F634	S416-G632 WeakPolarHBondContact CB-O 3.43Å; Y616-G632 VanDerWaalsContact O-CA 3.28Å; Y616-G632 WeakPolarHBondContact O-CA 3.37Å; N630-G632 PolarHBondContact O-N 3.22Å; G632-F634 PolarHBondContact O-N 2.76Å
633	S	97.7	Very high	97	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.042	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-68.9	118.3	-179.7	173	0	0	0	0	111	D417 K636 G637	D417-S633 WeakPolarHBondContact CB-OG 3.34Å; D417-S633 PolarHBondContact OD2-OG 3.44Å; S633-K636 WeakPolarHBondContact OG-CB 3.4Å; S633-K636 PolarHBondContact OG-N 3.43Å; S633-G637 WeakPolarHBondContact O-CA 3.47Å; S633-G637 PolarHBondContact O-N 3.01Å
634	F	98.3	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-44	173.9	-174.1	-97.7	0	0	0	110.6	L415 S416 V418 V425 A428 L429 L432 G632 F639 V640 F641 I656	L415-F634 HydrophobicContact CD2-CD2 3.32Å; L415-F634 HydrophobicContact CD2-CE2 3.56Å; L415-F634 HydrophobicContact CD2-CG 3.97Å; L415-F634 HydrophobicContact CD2-CZ 4.36Å; S416-F634 VanDerWaalsContact O-CB 3.24Å; S416-F634 WeakPolarHBondContact O-CB 3.5Å; S416-F634 PolarHBondContact O-N 2.93Å; V418-F634 HydrophobicContact CG1-CD1 4.4Å; V418-F634 HydrophobicContact CG2-CB 4.27Å; V425-F634 HydrophobicContact CG1-CD1 4.05Å; V425-F634 HydrophobicContact CG1-CE1 4.03Å; A428-F634 HydrophobicContact CB-CE1 3.92Å; A428-F634 HydrophobicContact CB-CZ 3.78Å; L429-F634 HydrophobicContact CD2-CE1 3.79Å; L429-F634 HydrophobicContact CD2-CZ 3.88Å; L429-F634 HydrophobicContact CG-CE1 3.95Å; L429-F634 HydrophobicContact CG-CZ 4.31Å; L432-F634 HydrophobicContact CD1-CE2 4.31Å; G632-F634 PolarHBondContact O-N 2.76Å; F634-F639 HydrophobicContact CD1-CD1 4.17Å; F634-F639 HydrophobicContact CD2-CB 4.28Å; F634-F639 HydrophobicContact CE1-CB 4.4Å; F634-F639 AromaticContact CE1-CD1 3.8Å; F634-F639 HydrophobicContact CE1-CD1 3.8Å; F634-F639 HydrophobicContact CE2-CB 3.81Å; F634-F639 HydrophobicContact CZ-CB 3.89Å; F634-F639 HydrophobicContact CZ-CD1 4.08Å; F634-F639 HydrophobicContact CZ-CG 4.4Å; F634-F639 WeakPolarHBondContact O-CA 3.46Å; F634-F639 PolarHBondContact O-N 2.94Å; F634-V640 WeakPolarHBondContact CD2-O 3.43Å; F634-F641 HydrophobicContact CD2-CB 4.33Å; F634-F641 HydrophobicContact CE2-CD1 4.3Å; F634-I656 HydrophobicContact CE2-CD1 4.05Å; F634-I656 HydrophobicContact CZ-CD1 3.89Å
635	A	96.5	Very high	97.2	Very high	23 Å²	23	29.9 Å²	29.9	19%	0.19	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-41.9	-178.3	0	0	0	0	0	113.5	D417 H419 V425	D417-A635 WeakPolarHBondContact O-CB 3.45Å; D417-A635 PolarHBondContact O-N 3.45Å; H419-A635 HydrophobicContact CB-CB 4.1Å; H419-A635 WeakPolarHBondContact ND1-CB 3.44Å; V425-A635 HydrophobicContact CG2-CB 3.75Å
636	K	94.9	Very high	97.3	Very high	136 Å²	136	24.2 Å²	24.2	59%	0.591	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-22.8	-175	-60	-179.4	-176.8	172.3	0	113.6	S633 K638	S633-K636 WeakPolarHBondContact OG-CB 3.4Å; S633-K636 PolarHBondContact OG-N 3.43Å; K636-K638 VanDerWaalsContact C-N 3.28Å; K636-K638 PolarHBondContact O-N 2.96Å
637	G	92.8	Very high	97.2	Very high	30 Å²	30	25.6 Å²	25.6	31%	0.309	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	22.5	-179.5	0	0	0	0	0	114.3	S633 V640	S633-G637 WeakPolarHBondContact O-CA 3.47Å; S633-G637 PolarHBondContact O-N 3.01Å; G637-V640 VanDerWaalsContact O-CG1 3.25Å; G637-V640 WeakPolarHBondContact O-CG1 3.49Å; G637-V640 WeakPolarHBondContact O-CG2 3.47Å
638	K	92.7	Very high	97	Very high	152 Å²	152	25.7 Å²	25.7	66%	0.661	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	46.7	-177.1	-53.3	-178.1	177.5	-174.4	0	113.5	K636 V640 I655	K636-K638 VanDerWaalsContact C-N 3.28Å; K636-K638 PolarHBondContact O-N 2.96Å; K638-V640 VanDerWaalsContact C-N 3.33Å; K638-V640 PolarHBondContact O-N 3.38Å; K638-I655 HydrophobicContact CB-CD1 4.38Å; K638-I655 VanDerWaalsContact O-CG1 3.3Å; K638-I655 WeakPolarHBondContact O-CG1 3.14Å
639	F	97	Very high	96.9	Very high	25 Å²	25	30.2 Å²	30.2	11%	0.11	16%	0.158	C	C	.	.	S	Bend	trans	63.2	36.4	174.4	-38.4	-62.9	0	0	0	113.8	E424 V425 A428 F634 I656 L661	E424-F639 HydrophobicContact CB-CZ 4.08Å; V425-F639 HydrophobicContact CG2-CE1 4.26Å; A428-F639 HydrophobicContact CB-CB 4.16Å; A428-F639 HydrophobicContact CB-CD1 3.33Å; A428-F639 HydrophobicContact CB-CD2 4.12Å; A428-F639 HydrophobicContact CB-CE1 3.67Å; A428-F639 HydrophobicContact CB-CE2 4.4Å; A428-F639 HydrophobicContact CB-CG 3.58Å; A428-F639 HydrophobicContact CB-CZ 4.19Å; F634-F639 HydrophobicContact CD1-CD1 4.17Å; F634-F639 HydrophobicContact CD2-CB 4.28Å; F634-F639 HydrophobicContact CE1-CB 4.4Å; F634-F639 AromaticContact CE1-CD1 3.8Å; F634-F639 HydrophobicContact CE1-CD1 3.8Å; F634-F639 HydrophobicContact CE2-CB 3.81Å; F634-F639 HydrophobicContact CZ-CB 3.89Å; F634-F639 HydrophobicContact CZ-CD1 4.08Å; F634-F639 HydrophobicContact CZ-CG 4.4Å; F634-F639 WeakPolarHBondContact O-CA 3.46Å; F634-F639 PolarHBondContact O-N 2.94Å; F639-I656 HydrophobicContact CB-CB 3.9Å; F639-I656 HydrophobicContact CB-CD1 4.33Å; F639-I656 HydrophobicContact CB-CG1 4.18Å; F639-I656 PolarHBondContact O-N 2.93Å; F639-L661 HydrophobicContact CD2-CD1 3.73Å; F639-L661 HydrophobicContact CE2-CD1 3.47Å; F639-L661 VanDerWaalsContact CE2-CD1 3.47Å; F639-L661 HydrophobicContact CZ-CD1 4.44Å
640	V	97.9	Very high	96.8	Very high	22 Å²	22	32.5 Å²	32.5	13%	0.133	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	143.8	168.6	-70.1	0	0	0	0	111	P618 F634 G637 K638 S654 I655	P618-V640 HydrophobicContact CG-CB 4.33Å; P618-V640 HydrophobicContact CG-CG2 4.07Å; F634-V640 WeakPolarHBondContact CD2-O 3.43Å; G637-V640 VanDerWaalsContact O-CG1 3.25Å; G637-V640 WeakPolarHBondContact O-CG1 3.49Å; G637-V640 WeakPolarHBondContact O-CG2 3.47Å; K638-V640 VanDerWaalsContact C-N 3.33Å; K638-V640 PolarHBondContact O-N 3.38Å; V640-S654 WeakPolarHBondContact CA-O 3.32Å; V640-I655 HydrophobicContact CG1-CB 4.16Å; V640-I655 HydrophobicContact CG1-CD1 3.83Å; V640-I655 HydrophobicContact CG1-CG1 3.92Å
641	F	98.3	Very high	96.8	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	170.4	176.3	65.5	-82.9	0	0	0	109.3	V413 F414 L415 L432 F436 F634 V643 S654 I656	V413-F641 HydrophobicContact CG1-CD2 3.72Å; V413-F641 HydrophobicContact CG1-CE2 4.07Å; F414-F641 WeakPolarHBondContact O-CB 3.44Å; L415-F641 HydrophobicContact CD2-CB 3.54Å; L415-F641 HydrophobicContact CD2-CG 4.19Å; L415-F641 HydrophobicContact CG-CB 4.37Å; L432-F641 HydrophobicContact CD1-CD1 4.14Å; L432-F641 HydrophobicContact CD1-CD2 4.34Å; L432-F641 HydrophobicContact CD1-CE1 4.08Å; L432-F641 HydrophobicContact CD1-CE2 4.26Å; L432-F641 HydrophobicContact CD1-CG 4.27Å; L432-F641 HydrophobicContact CD1-CZ 4.12Å; F436-F641 HydrophobicContact CE2-CE2 4.3Å; F436-F641 HydrophobicContact CZ-CE2 4.46Å; F634-F641 HydrophobicContact CD2-CB 4.33Å; F634-F641 HydrophobicContact CE2-CD1 4.3Å; F641-V643 HydrophobicContact CD2-CG2 4.01Å; F641-V643 HydrophobicContact CE2-CG2 3.64Å; F641-S654 PolarHBondContact N-O 3.01Å; F641-S654 CarbonylContact O-C 3.48Å; F641-S654 WeakPolarHBondContact O-CA 3.43Å; F641-S654 PolarHBondContact O-N 3.28Å; F641-I656 HydrophobicContact CD1-CG1 4.42Å; F641-I656 HydrophobicContact CE1-CG1 3.84Å
642	Q	98.6	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145	177.1	-78.9	172.9	-29.7	0	0	111.2	F414 T620 T629 N630 P631 V651 E652 D653	F414-Q642 PolarHBondContact N-O 3.49Å; F414-Q642 PolarHBondContact O-N 3.1Å; T620-Q642 PolarHBondContact OG1-NE2 2.95Å; T629-Q642 PolarHBondContact OG1-NE2 3.41Å; T629-Q642 PolarHBondContact OG1-OE1 2.89Å; N630-Q642 PolarHBondContact O-NE2 3.01Å; N630-Q642 PolarHBondContact O-OE1 3.33Å; P631-Q642 HydrophobicContact CB-CB 4.26Å; P631-Q642 HydrophobicContact CB-CG 4.27Å; P631-Q642 HydrophobicContact CG-CB 4.3Å; Q642-V651 HydrophobicContact CB-CG1 4.02Å; Q642-V651 HydrophobicContact CG-CG1 4.06Å; Q642-E652 WeakPolarHBondContact CA-O 3.44Å; Q642-D653 WeakPolarHBondContact CG-OD1 3.23Å; Q642-D653 PolarHBondContact NE2-OD1 3.34Å
643	V	98.5	Very high	96.8	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.9	174.5	-175.4	0	0	0	0	108.6	L411 F412 V413 F436 F641 V651 E652	L411-V643 HydrophobicContact CB-CG1 4.23Å; L411-V643 HydrophobicContact CD1-CG1 4.44Å; L411-V643 HydrophobicContact CD2-CG1 3.94Å; L411-V643 HydrophobicContact CG-CG1 4.43Å; F412-V643 CarbonylContact O-C 3.56Å; F412-V643 VanDerWaalsContact O-CA 3.32Å; F412-V643 WeakPolarHBondContact O-CA 3.48Å; V413-V643 HydrophobicContact CG2-CG2 4.44Å; F436-V643 HydrophobicContact CZ-CG2 4.16Å; F641-V643 HydrophobicContact CD2-CG2 4.01Å; F641-V643 HydrophobicContact CE2-CG2 3.64Å; V643-V651 CarbonylContact O-C 3.58Å; V643-V651 WeakPolarHBondContact O-CA 3.5Å; V643-E652 PolarHBondContact N-O 3.14Å; V643-E652 PolarHBondContact O-N 3.11Å
644	Y	98.6	Very high	96.7	Very high	3 Å²	3	44.6 Å²	44.6	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	133.7	172	179.7	-114.6	0	0	0	110.7	F412 Q542 I544 L609 P646 T650 V651	F412-Y644 HydrophobicContact CD2-CD1 4.27Å; F412-Y644 PolarHBondContact N-O 3.48Å; F412-Y644 PolarHBondContact O-N 3.36Å; Q542-Y644 PolarHBondContact OE1-OH 2.86Å; I544-Y644 HydrophobicContact CD1-CD1 4.04Å; I544-Y644 HydrophobicContact CD1-CE1 3.92Å; I544-Y644 HydrophobicContact CG1-CE1 4.46Å; L609-Y644 HydrophobicContact CD2-CD1 3.73Å; L609-Y644 HydrophobicContact CD2-CD2 3.77Å; L609-Y644 HydrophobicContact CD2-CE1 3.97Å; L609-Y644 HydrophobicContact CD2-CE2 4Å; L609-Y644 HydrophobicContact CD2-CG 3.6Å; Y644-P646 HydrophobicContact CD1-CG 4.02Å; Y644-P646 HydrophobicContact CE1-CB 4.16Å; Y644-P646 HydrophobicContact CE1-CG 3.96Å; Y644-T650 WeakPolarHBondContact CA-O 3.44Å; Y644-T650 WeakPolarHBondContact CD2-O 3.39Å; Y644-V651 HydrophobicContact CD2-CG2 3.63Å; Y644-V651 HydrophobicContact CE2-CG2 4.29Å
645	I	97.6	Very high	96.6	Very high	24 Å²	24	48.6 Å²	48.6	12%	0.123	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	102.2	-179.9	-46.6	-176.7	0	0	0	107.2	L411 S647 S648 R649 T650 E652	L411-I645 HydrophobicContact CD2-CB 4.34Å; L411-I645 HydrophobicContact CD2-CD1 4.3Å; L411-I645 HydrophobicContact CD2-CG1 3.71Å; L411-I645 HydrophobicContact CD2-CG2 4.28Å; I645-S647 VanDerWaalsContact C-N 3.34Å; I645-S647 PolarHBondContact O-N 2.99Å; I645-S648 WeakPolarHBondContact CB-OG 3.25Å; I645-S648 WeakPolarHBondContact CG2-OG 3.48Å; I645-S648 PolarHBondContact O-OG 3.1Å; I645-R649 VanDerWaalsContact O-CA 3.25Å; I645-R649 WeakPolarHBondContact O-CA 3.5Å; I645-R649 PolarHBondContact O-N 2.99Å; I645-T650 PolarHBondContact N-O 3.42Å; I645-T650 PolarHBondContact O-N 3.26Å; I645-T650 VanDerWaalsContact O-N 3.16Å; I645-E652 HydrophobicContact CD1-CG 4.45Å; I645-E652 WeakPolarHBondContact CD1-OE1 3.43Å
646	P	96.9	Very high	96.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-36.5	-174.5	-26.6	36.3	0	0	0	114.2	T410 F412 Y539 Q542 Y644 S648 R649	T410-P646 HydrophobicContact CG2-CG 4.28Å; T410-P646 WeakPolarHBondContact O-CD 3.47Å; F412-P646 HydrophobicContact CD2-CG 3.78Å; F412-P646 HydrophobicContact CE2-CG 3.74Å; Y539-P646 HydrophobicContact CD1-CB 3.61Å; Y539-P646 HydrophobicContact CD1-CG 3.9Å; Y539-P646 HydrophobicContact CE1-CB 3.54Å; Y539-P646 HydrophobicContact CE1-CG 3.89Å; Q542-P646 PolarHBondContact NE2-O 3.38Å; Y644-P646 HydrophobicContact CD1-CG 4.02Å; Y644-P646 HydrophobicContact CE1-CB 4.16Å; Y644-P646 HydrophobicContact CE1-CG 3.96Å; P646-S648 PolarHBondContact O-N 2.99Å; P646-R649 WeakPolarHBondContact O-CG 3.39Å; P646-R649 PolarHBondContact O-N 2.89Å; P646-R649 VanDerWaalsContact O-N 3.17Å
647	S	95.3	Very high	96.5	Very high	29 Å²	29	44.2 Å²	44.2	20%	0.203	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-42.4	-176.8	55.4	0	0	0	0	113.1	E404 E408 I645	E404-S647 VanDerWaalsContact O-CB 3.31Å; E404-S647 WeakPolarHBondContact O-CB 3.43Å; E408-S647 WeakPolarHBondContact CA-OG 3.37Å; I645-S647 VanDerWaalsContact C-N 3.34Å; I645-S647 PolarHBondContact O-N 2.99Å
648	S	95	Very high	96.3	Very high	63 Å²	63	48.4 Å²	48.4	44%	0.441	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.8	176	52	0	0	0	0	112.8	I645 P646 T650	I645-S648 WeakPolarHBondContact CB-OG 3.25Å; I645-S648 WeakPolarHBondContact CG2-OG 3.48Å; I645-S648 PolarHBondContact O-OG 3.1Å; P646-S648 PolarHBondContact O-N 2.99Å; S648-T650 PolarHBondContact O-N 3.11Å; S648-T650 PolarHBondContact OG-OG1 2.96Å
649	R	95.5	Very high	96	Very high	96 Å²	96	46.8 Å²	46.8	36%	0.362	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.1	-171.2	-56.9	178.1	175.4	-135.6	-9.8	111.8	E404 D608 R627 I645 P646	E404-R649 IonicContact OE2-NH2 3.65Å; E404-R649 PolarHBondContact OE2-NH2 2.99Å; D608-R649 IonicContact OD1-CZ 3.55Å; D608-R649 IonicContact OD1-NH1 3.72Å; D608-R649 PolarHBondContact OD1-NH1 3.44Å; D608-R649 IonicContact OD1-NH2 3.79Å; R627-R649 PolarHBondContact NH1-O 3.34Å; R627-R649 PolarHBondContact NH2-O 3.38Å; I645-R649 VanDerWaalsContact O-CA 3.25Å; I645-R649 WeakPolarHBondContact O-CA 3.5Å; I645-R649 PolarHBondContact O-N 2.99Å; P646-R649 WeakPolarHBondContact O-CG 3.39Å; P646-R649 PolarHBondContact O-N 2.89Å; P646-R649 VanDerWaalsContact O-N 3.17Å
650	T	96.4	Very high	95.6	Very high	47 Å²	47	50 Å²	50	29%	0.288	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	143.3	-178	51.9	0	0	0	0	112.3	Y644 I645 S648	Y644-T650 WeakPolarHBondContact CA-O 3.44Å; Y644-T650 WeakPolarHBondContact CD2-O 3.39Å; I645-T650 PolarHBondContact N-O 3.42Å; I645-T650 PolarHBondContact O-N 3.26Å; I645-T650 VanDerWaalsContact O-N 3.16Å; S648-T650 PolarHBondContact O-N 3.11Å; S648-T650 PolarHBondContact OG-OG1 2.96Å
651	V	98.2	Very high	95.1	Very high	23 Å²	23	50 Å²	50	14%	0.139	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127	170.3	178.3	0	0	0	0	107	L609 T620 R627 T629 Q642 V643 Y644	L609-V651 HydrophobicContact CD1-CG2 4.13Å; T620-V651 HydrophobicContact CG2-CB 4.38Å; R627-V651 HydrophobicContact CG-CG2 4.43Å; T629-V651 HydrophobicContact CG2-CG1 4.42Å; T629-V651 HydrophobicContact CG2-CG2 4.38Å; Q642-V651 HydrophobicContact CB-CG1 4.02Å; Q642-V651 HydrophobicContact CG-CG1 4.06Å; V643-V651 CarbonylContact O-C 3.58Å; V643-V651 WeakPolarHBondContact O-CA 3.5Å; Y644-V651 HydrophobicContact CD2-CG2 3.63Å; Y644-V651 HydrophobicContact CE2-CG2 4.29Å
652	E	97.7	Very high	94.4	Very high	100 Å²	100	56 Å²	56	47%	0.467	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.2	178.3	-64.1	-176.5	173.1	0	0	109.8	Q642 V643 I645	Q642-E652 WeakPolarHBondContact CA-O 3.44Å; V643-E652 PolarHBondContact N-O 3.14Å; V643-E652 PolarHBondContact O-N 3.11Å; I645-E652 HydrophobicContact CD1-CG 4.45Å; I645-E652 WeakPolarHBondContact CD1-OE1 3.43Å
653	D	97.4	Very high	93.4	Very high	105 Å²	105	58.7 Å²	58.7	56%	0.561	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	126.7	171.4	-64.3	-44.4	0	0	0	109.5	Q642	Q642-D653 WeakPolarHBondContact CG-OD1 3.23Å; Q642-D653 PolarHBondContact NE2-OD1 3.34Å
654	S	97.1	Very high	91.8	Very high	33 Å²	33	62.9 Å²	62.9	23%	0.231	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.7	-177	-67.9	0	0	0	0	111.2	V640 F641	V640-S654 WeakPolarHBondContact CA-O 3.32Å; F641-S654 PolarHBondContact N-O 3.01Å; F641-S654 CarbonylContact O-C 3.48Å; F641-S654 WeakPolarHBondContact O-CA 3.43Å; F641-S654 PolarHBondContact O-N 3.28Å
655	I	96.2	Very high	90	Very high	85 Å²	85	66.2 Å²	66.2	44%	0.436	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	142.1	178.1	-170.5	171.6	0	0	0	109.7	K638 V640 T657	K638-I655 HydrophobicContact CB-CD1 4.38Å; K638-I655 VanDerWaalsContact O-CG1 3.3Å; K638-I655 WeakPolarHBondContact O-CG1 3.14Å; V640-I655 HydrophobicContact CG1-CB 4.16Å; V640-I655 HydrophobicContact CG1-CD1 3.83Å; V640-I655 HydrophobicContact CG1-CG1 3.92Å; I655-T657 HydrophobicContact CG2-CG2 4.44Å
656	I	95.3	Very high	87.6	Confident	8 Å²	8	71 Å²	71	4%	0.041	38%	0.376	C	S	.	.			trans	-87.8	111.6	171	-50.1	-178.4	0	0	0	108.4	A428 C431 L432 F634 F639 F641 Q660 L661	A428-I656 HydrophobicContact CB-CD1 4.1Å; A428-I656 WeakPolarHBondContact O-CD1 2.96Å; C431-I656 HydrophobicContact CB-CG2 4.15Å; L432-I656 HydrophobicContact CB-CD1 3.78Å; L432-I656 HydrophobicContact CD1-CD1 4.25Å; F634-I656 HydrophobicContact CE2-CD1 4.05Å; F634-I656 HydrophobicContact CZ-CD1 3.89Å; F639-I656 HydrophobicContact CB-CB 3.9Å; F639-I656 HydrophobicContact CB-CD1 4.33Å; F639-I656 HydrophobicContact CB-CG1 4.18Å; F639-I656 PolarHBondContact O-N 2.93Å; F641-I656 HydrophobicContact CD1-CG1 4.42Å; F641-I656 HydrophobicContact CE1-CG1 3.84Å; I656-Q660 HydrophobicContact CG2-CB 4.17Å; I656-L661 HydrophobicContact CG2-CD2 3.84Å; I656-L661 HydrophobicContact CG2-CG 3.97Å
657	T	92.8	Very high	85.4	Confident	58 Å²	58	75.1 Å²	75.1	36%	0.356	40%	0.401	S	S	.	.			trans	-74.8	156.1	-175.5	68.7	0	0	0	0	111.8	I655 D659 Q660 L661	I655-T657 HydrophobicContact CG2-CG2 4.44Å; T657-D659 PolarHBondContact O-N 3.24Å; T657-Q660 WeakPolarHBondContact O-CB 3.3Å; T657-Q660 PolarHBondContact O-N 3.31Å; T657-Q660 VanDerWaalsContact O-N 3.11Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.43Å; T657-Q660 PolarHBondContact OG1-N 3.06Å; T657-L661 PolarHBondContact O-N 3.42Å
658	E	88.5	Confident	82.9	Confident	119 Å²	119	76.6 Å²	76.6	56%	0.556	42%	0.421	S	S	*	.	H	α-helix	trans	-57	-34.6	174	-73.1	-171.7	-159.1	0	0	112.3	L661 R662	E658-L661 PolarHBondContact O-N 3.47Å; E658-R662 WeakPolarHBondContact O-CB 3.28Å; E658-R662 VanDerWaalsContact O-CG 3.26Å; E658-R662 WeakPolarHBondContact O-CG 3.47Å; E658-R662 PolarHBondContact O-N 2.99Å; E658-R662 IonicContact OE2-CZ 2.76Å; E658-R662 IonicContact OE2-NH2 3.58Å; E658-R662 PolarHBondContact OE2-NH2 3.43Å
659	D	88	Confident	79.8	Confident	118 Å²	118	83.4 Å²	83.4	63%	0.631	44%	0.443	S	S	*	.	H	α-helix	trans	-66.7	-39.5	178.1	-67.7	-29.2	0	0	0	111.7	T657 R662 A663	T657-D659 PolarHBondContact O-N 3.24Å; D659-R662 PolarHBondContact O-N 2.94Å; D659-A663 WeakPolarHBondContact O-CB 2.95Å; D659-A663 PolarHBondContact O-N 3.48Å
660	Q	88	Confident	76.8	Confident	91 Å²	91	88.7 Å²	88.7	43%	0.425	49%	0.485	S	S	.	.	H	α-helix	trans	-63.5	-44.6	173.2	-72.7	171	-32.4	0	0	111	I656 T657 R662 A663 W664	I656-Q660 HydrophobicContact CG2-CB 4.17Å; T657-Q660 WeakPolarHBondContact O-CB 3.3Å; T657-Q660 PolarHBondContact O-N 3.31Å; T657-Q660 VanDerWaalsContact O-N 3.11Å; T657-Q660 WeakPolarHBondContact OG1-CG 3.43Å; T657-Q660 PolarHBondContact OG1-N 3.06Å; Q660-R662 PolarHBondContact O-N 3.19Å; Q660-A663 PolarHBondContact O-N 2.87Å; Q660-W664 VanDerWaalsContact O-CD1 3.3Å; Q660-W664 PolarHBondContact O-N 3.41Å
661	L	87.6	Confident	75.8	Confident	22 Å²	22	90.8 Å²	90.8	12%	0.115	50%	0.495	C	S	.	.	H	α-helix	trans	-61.3	-42.2	176.6	-66.5	171.9	0	0	0	112.3	Q427 A428 C431 F639 I656 T657 E658 W664 S665	Q427-L661 HydrophobicContact CG-CD2 4.4Å; Q427-L661 PolarHBondContact NE2-O 2.88Å; A428-L661 HydrophobicContact CB-CD2 3.95Å; C431-L661 HydrophobicContact CB-CD2 4.44Å; F639-L661 HydrophobicContact CD2-CD1 3.73Å; F639-L661 HydrophobicContact CE2-CD1 3.47Å; F639-L661 VanDerWaalsContact CE2-CD1 3.47Å; F639-L661 HydrophobicContact CZ-CD1 4.44Å; I656-L661 HydrophobicContact CG2-CD2 3.84Å; I656-L661 HydrophobicContact CG2-CG 3.97Å; T657-L661 PolarHBondContact O-N 3.42Å; E658-L661 PolarHBondContact O-N 3.47Å; L661-W664 PolarHBondContact O-N 3.37Å; L661-S665 PolarHBondContact O-N 2.89Å; L661-S665 VanDerWaalsContact O-N 3.07Å
662	R	82.7	Confident	74.7	Confident	143 Å²	143	94.4 Å²	94.4	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-45	177.8	-73.7	174.8	-165.2	177.4	9.2	111.6	E658 D659 Q660 W664 S665 V666	E658-R662 WeakPolarHBondContact O-CB 3.28Å; E658-R662 VanDerWaalsContact O-CG 3.26Å; E658-R662 WeakPolarHBondContact O-CG 3.47Å; E658-R662 PolarHBondContact O-N 2.99Å; E658-R662 IonicContact OE2-CZ 2.76Å; E658-R662 IonicContact OE2-NH2 3.58Å; E658-R662 PolarHBondContact OE2-NH2 3.43Å; D659-R662 PolarHBondContact O-N 2.94Å; Q660-R662 PolarHBondContact O-N 3.19Å; R662-W664 PolarHBondContact O-N 3.44Å; R662-S665 PolarHBondContact O-N 2.94Å; R662-S665 VanDerWaalsContact O-N 3.08Å; R662-S665 PolarHBondContact O-OG 2.97Å; R662-V666 WeakPolarHBondContact O-CG2 3.36Å; R662-V666 PolarHBondContact O-N 3.07Å
663	A	77.4	Confident	73.4	Confident	57 Å²	57	94.1 Å²	94.1	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-55	-41.4	178.1	0	0	0	0	0	111.5	D659 Q660 T667	D659-A663 WeakPolarHBondContact O-CB 2.95Å; D659-A663 PolarHBondContact O-N 3.48Å; Q660-A663 PolarHBondContact O-N 2.87Å; A663-T667 PolarHBondContact O-N 2.72Å; A663-T667 PolarHBondContact O-OG1 2.91Å
664	W	65.8	Low	72	Confident	97 Å²	97	93.4 Å²	93.4	37%	0.367	51%	0.514	S	S	.	.	H	α-helix	trans	-74.2	-32.3	177	-81.8	96.8	0	0	0	114.4	H430 C431 A434 Q660 L661 R662 V666 T667 G668	H430-W664 AromaticContact CE1-CE3 3.5Å; H430-W664 VanDerWaalsContact CE1-CE3 3.5Å; H430-W664 AromaticContact CE1-CZ3 3.56Å; H430-W664 AromaticContact ND1-CE3 3.83Å; C431-W664 HydrophobicContact CB-CG 4.5Å; A434-W664 HydrophobicContact CB-CD2 4.47Å; A434-W664 HydrophobicContact CB-CH2 3.36Å; A434-W664 HydrophobicContact CB-CZ2 3.09Å; A434-W664 HydrophobicContact CB-CZ3 4.17Å; Q660-W664 VanDerWaalsContact O-CD1 3.3Å; Q660-W664 PolarHBondContact O-N 3.41Å; L661-W664 PolarHBondContact O-N 3.37Å; R662-W664 PolarHBondContact O-N 3.44Å; W664-V666 PolarHBondContact O-N 2.71Å; W664-T667 WeakPolarHBondContact CA-OG1 3.46Å; W664-T667 PolarHBondContact O-N 2.97Å; W664-T667 PolarHBondContact O-OG1 2.95Å; W664-G668 PolarHBondContact O-N 3.4Å
665	S	59.6	Low	70.4	Confident	72 Å²	72	97.2 Å²	97.2	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-64.1	-29.2	174.6	73	0	0	0	0	113.1	L661 R662	L661-S665 PolarHBondContact O-N 2.89Å; L661-S665 VanDerWaalsContact O-N 3.07Å; R662-S665 PolarHBondContact O-N 2.94Å; R662-S665 VanDerWaalsContact O-N 3.08Å; R662-S665 PolarHBondContact O-OG 2.97Å
666	V	47.3	Very low	68.7	Low	125 Å²	125	98 Å²	98	76%	0.758	54%	0.538	S	S	*	.	H	α-helix	trans	-84.3	-31.4	-179	179.2	0	0	0	0	111.7	R662 W664	R662-V666 WeakPolarHBondContact O-CG2 3.36Å; R662-V666 PolarHBondContact O-N 3.07Å; W664-V666 PolarHBondContact O-N 2.71Å
667	T	50.8	Low	66.8	Low	86 Å²	86	104.4 Å²	104.4	53%	0.528	57%	0.574	S	S	.	*	H	α-helix	trans	-84.4	-13.3	178.3	53.7	0	0	0	0	113.9	A663 W664 K669	A663-T667 PolarHBondContact O-N 2.72Å; A663-T667 PolarHBondContact O-OG1 2.91Å; W664-T667 WeakPolarHBondContact CA-OG1 3.46Å; W664-T667 PolarHBondContact O-N 2.97Å; W664-T667 PolarHBondContact O-OG1 2.95Å; T667-K669 PolarHBondContact O-N 3.08Å
668	G	42.8	Very low	64.8	Low	61 Å²	61	108 Å²	108	63%	0.629	59%	0.59	S	S	*	*			trans	-71.4	28.3	-174	0	0	0	0	0	118.5	W664	W664-G668 PolarHBondContact O-N 3.4Å
669	K	30.6	Very low	62.8	Low	206 Å²	206	107.1 Å²	107.1	90%	0.896	59%	0.593	S	S	*	*			trans	-100.2	79.7	156.2	-82.5	-169	179.7	-179.9	0	108.9	T667	T667-K669 PolarHBondContact O-N 3.08Å
670	V	32.8	Very low	60.5	Low	207 Å²	207	106.1 Å²	106.1	100%	1.255	59%	0.59	S	S	*	*			trans	-134.3	0	155.9	-176.9	0	0	0	0	108.2

Retrieved 670 of 670 residues in 681.4 ms (Link to these results)

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