A0A060WXD9_ONCMY Loading...

NADPH:adrenodoxin oxidoreductase, mitochondrial

AlphaFold DB , UniProt , Accession A0A060WXD9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 498 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	28	Very low	244 Å²	244	144.6 Å²	144.6	100%	1.202	80%	0.804	S	S	*	*				0	82	0	-70	167.8	74.3	0	0	107.3
2	S	27.5	Very low	27.7	Very low	108 Å²	108	147.4 Å²	147.4	76%	0.755	81%	0.807	S	S	*	*				78.1	81.1	101.5	-165.1	0	0	0	0	111.6
3	T	29	Very low	27.5	Very low	124 Å²	124	148.1 Å²	148.1	76%	0.761	81%	0.806	S	S	*	*				88.5	126	84.1	53.6	0	0	0	0	115.8
4	H	31.5	Very low	27.3	Very low	186 Å²	186	147.8 Å²	147.8	86%	0.861	80%	0.802	S	S	*	*			trans	-31.5	149	149.5	-75.5	-74.3	0	0	0	116.7
5	K	29.2	Very low	27.1	Very low	210 Å²	210	149.3 Å²	149.3	91%	0.913	80%	0.798	S	S	*	*			trans	169.7	146.3	146.9	-97.8	165	-177.1	-176.1	0	107.5
6	A	28.4	Very low	27	Very low	86 Å²	86	148 Å²	148	71%	0.711	79%	0.79	S	S	*	*			cis	-162.7	147.8	7.3	0	0	0	0	0	105.7
7	A	25.3	Very low	26.8	Very low	82 Å²	82	151.9 Å²	151.9	68%	0.678	80%	0.799	S	S	*	*			cis	75	112.6	40	0	0	0	0	0	115
8	L	25.5	Very low	26.7	Very low	160 Å²	160	150.8 Å²	150.8	84%	0.838	79%	0.793	S	S	*	*			trans	68.4	148.6	159	-71	94.9	0	0	0	117.3
9	C	24.1	Very low	26.7	Very low	93 Å²	93	150 Å²	150	63%	0.628	80%	0.795	S	S	*	*			cis	-174.3	144.2	47	-147.3	0	0	0	0	112.4
10	K	26.2	Very low	26.7	Very low	178 Å²	178	148.6 Å²	148.6	77%	0.774	80%	0.798	S	S	*	*			trans	46.2	123.3	137	-69.2	177.4	-174.2	177.5	0	120.7
11	V	26.4	Very low	26.8	Very low	120 Å²	120	145.9 Å²	145.9	73%	0.727	80%	0.796	S	S	*	*				74.3	123.2	69	176.9	0	0	0	0	114.9
12	Q	24	Very low	26.5	Very low	178 Å²	178	146.6 Å²	146.6	83%	0.832	79%	0.786	S	S	*	*			trans	92.6	151	149.5	-95.2	166.7	-32.9	0	0	123
13	I	25.3	Very low	26.5	Very low	156 Å²	156	147.9 Å²	147.9	80%	0.8	79%	0.793	S	S	*	*			trans	97.4	101.7	159.3	-46.4	-172.2	0	0	0	114.3
14	L	24.2	Very low	26.4	Very low	144 Å²	144	145.4 Å²	145.4	75%	0.754	79%	0.793	S	S	*	*				88.4	111.6	58.4	-161.6	85.3	0	0	0	114.2
15	K	25	Very low	26.2	Very low	171 Å²	171	148.2 Å²	148.2	74%	0.743	80%	0.795	S	S	*	*			trans	59.6	136.3	143.4	-76.8	-179.9	173.7	178.9	0	123.9
16	L	24.7	Very low	26.4	Very low	128 Å²	128	145.5 Å²	145.5	67%	0.67	79%	0.789	S	S	*	*			trans	73.8	121.7	142.2	-92.9	106.5	0	0	0	119.1
17	F	24.6	Very low	26.5	Very low	214 Å²	214	147.3 Å²	147.3	94%	0.939	79%	0.792	S	S	*	*				-156.6	145.1	122	-109.5	-78.2	0	0	0	111.9
18	L	24.9	Very low	26.8	Very low	132 Å²	132	153.9 Å²	153.9	69%	0.691	80%	0.799	S	S	*	*			trans	-85.4	170.1	-174.4	-84.6	132.7	0	0	0	113.8
19	T	25.4	Very low	27	Very low	136 Å²	136	155.5 Å²	155.5	83%	0.834	80%	0.8	S	S	*	*			trans	94.5	114.2	148.7	65.5	0	0	0	0	119.9
20	S	27	Very low	27.5	Very low	121 Å²	121	159.6 Å²	159.6	85%	0.846	81%	0.809	S	S	*	*				-169.4	120.4	120.7	169.5	0	0	0	0	109.7
21	A	29.4	Very low	27.6	Very low	93 Å²	93	154.5 Å²	154.5	77%	0.769	81%	0.807	S	S	*	*			trans	-76	154.3	179.8	0	0	0	0	0	112.9
22	R	28.2	Very low	27.8	Very low	258 Å²	258	155.7 Å²	155.7	97%	0.974	81%	0.814	S	S	*	*			trans	-151.8	140	142.8	-109.6	175.5	-166.4	-165.8	3.6	111.8
23	C	27.6	Very low	28	Very low	136 Å²	136	152.7 Å²	152.7	92%	0.919	81%	0.812	S	S	*	*			trans	-75.2	147.4	-167.1	-172.3	0	0	0	0	113.4
24	G	27.3	Very low	28.2	Very low	72 Å²	72	148.3 Å²	148.3	74%	0.742	81%	0.805	S	S	*	*			trans	-170.1	86.2	173.4	0	0	0	0	0	114.1
25	R	28.5	Very low	28.7	Very low	244 Å²	244	149.1 Å²	149.1	92%	0.921	81%	0.809	S	S	*	*			trans	39.9	124.6	153.5	-71.8	-179.3	179.8	174.9	-0.2	121.2
26	I	32.7	Very low	29	Very low	154 Å²	154	146 Å²	146	79%	0.79	81%	0.809	S	S	*	*			trans	-75.6	128.3	168.3	-64.8	163.1	0	0	0	110.5
27	T	30.4	Very low	29.3	Very low	124 Å²	124	146.2 Å²	146.2	76%	0.761	82%	0.816	S	S	*	*			trans	-131.7	114.3	153.7	36.2	0	0	0	0	108.7	F29	T27-F29 PolarHBondContact O-N 3.3Å
28	R	32.2	Very low	29.8	Very low	220 Å²	220	140.8 Å²	140.8	83%	0.83	81%	0.805	S	S	*	*			trans	-74.9	115	172.8	-80.7	-179.4	175	-178.5	-2.2	108.8
29	F	28.9	Very low	30.4	Very low	194 Å²	194	140.5 Å²	140.5	85%	0.851	81%	0.809	S	S	*	*			trans	-102.7	119.1	159.5	-97.2	-87.2	0	0	0	109	T27 G31	T27-F29 PolarHBondContact O-N 3.3Å; F29-G31 PolarHBondContact O-N 2.94Å
30	H	34.2	Very low	31.2	Very low	179 Å²	179	139.7 Å²	139.7	83%	0.829	81%	0.805	S	S	*	*			trans	-72.8	105.3	164.5	-81.1	67.8	0	0	0	107.6
31	G	28	Very low	32.6	Very low	71 Å²	71	137.8 Å²	137.8	73%	0.732	80%	0.797	S	S	*	*			trans	-102.9	111.8	171.9	0	0	0	0	0	109.7	F29 C33	F29-G31 PolarHBondContact O-N 2.94Å; G31-C33 PolarHBondContact O-N 3.07Å
32	V	31.7	Very low	34.3	Very low	144 Å²	144	136.1 Å²	136.1	87%	0.873	78%	0.78	S	S	*	*			trans	-53.1	122.4	173.2	174.6	0	0	0	0	109.5	G34	V32-G34 VanDerWaalsContact C-N 3.35Å; V32-G34 PolarHBondContact O-N 3.39Å
33	C	28.3	Very low	37.1	Very low	116 Å²	116	125 Å²	125	78%	0.784	74%	0.742	S	S	*	*			trans	-71.6	92.2	172.4	-165.3	0	0	0	0	108.2	G31 L35	G31-C33 PolarHBondContact O-N 3.07Å; C33-L35 PolarHBondContact O-N 3.17Å; C33-L35 VanDerWaalsContact O-N 3.13Å
34	G	29.6	Very low	40.3	Very low	64 Å²	64	118.6 Å²	118.6	66%	0.66	70%	0.699	S	S	*	*			trans	-67.9	102.5	164.5	0	0	0	0	0	108.3	V32 S36	V32-G34 VanDerWaalsContact C-N 3.35Å; V32-G34 PolarHBondContact O-N 3.39Å; G34-S36 PolarHBondContact O-N 3.15Å
35	L	33.4	Very low	43.7	Very low	160 Å²	160	117 Å²	117	84%	0.838	67%	0.671	S	S	*	*			trans	-63	89.9	160.6	-83.1	148.8	0	0	0	107.1	C33 T37	C33-L35 PolarHBondContact O-N 3.17Å; C33-L35 VanDerWaalsContact O-N 3.13Å; L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 3.09Å
36	S	32.5	Very low	47.1	Very low	106 Å²	106	105.4 Å²	105.4	74%	0.741	63%	0.628	S	S	*	*			trans	-68.1	101.9	161	56.1	0	0	0	0	106.5	G34 S38	G34-S36 PolarHBondContact O-N 3.15Å; S36-S38 PolarHBondContact O-N 3.08Å
37	T	31.7	Very low	50.2	Low	132 Å²	132	98.1 Å²	98.1	81%	0.81	59%	0.59	S	S	*	*			trans	-63.1	86.2	160.2	47.6	0	0	0	0	106.7	L35 T39	L35-T37 VanDerWaalsContact C-N 3.34Å; L35-T37 PolarHBondContact O-N 3.09Å; T37-T39 PolarHBondContact O-N 2.88Å
38	S	34.2	Very low	53.5	Low	101 Å²	101	92.2 Å²	92.2	71%	0.706	55%	0.554	S	S	*	*			trans	-60.7	109.3	162.4	53.9	0	0	0	0	106	S36	S36-S38 PolarHBondContact O-N 3.08Å
39	T	37.1	Very low	56.6	Low	126 Å²	126	82.1 Å²	82.1	77%	0.773	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-47	125.4	157.6	-0.2	0	0	0	0	105.6	T37 A41	T37-T39 PolarHBondContact O-N 2.88Å; T39-A41 PolarHBondContact O-N 2.89Å
40	P	43.5	Very low	60	Low	118 Å²	118	73.2 Å²	73.2	77%	0.766	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-54.1	116.7	177.1	20.5	-29.2	0	0	0	106.2	S42	P40-S42 PolarHBondContact O-N 3.33Å
41	A	55.1	Low	63	Low	82 Å²	82	64.7 Å²	64.7	68%	0.678	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-52.9	119.3	179.4	0	0	0	0	0	106.6	T39 S43	T39-A41 PolarHBondContact O-N 2.89Å; A41-S43 PolarHBondContact O-N 3.36Å
42	S	66.1	Low	66.4	Low	57 Å²	57	61.8 Å²	61.8	40%	0.399	41%	0.41	S	S	.	.			trans	-49.1	112.4	179.2	170.6	0	0	0	0	108.1	P40 V438	P40-S42 PolarHBondContact O-N 3.33Å; S42-V438 PolarHBondContact OG-O 3.5Å
43	S	86.9	Confident	69.6	Low	25 Å²	25	55.8 Å²	55.8	18%	0.175	37%	0.374	C	S	.	.			trans	-82.4	123.9	-179.4	-175.7	0	0	0	0	109.1	A41 K45 D68 Q70	A41-S43 PolarHBondContact O-N 3.36Å; S43-K45 PolarHBondContact O-N 3.47Å; S43-D68 CarbonylContact C-O 3.38Å; S43-D68 WeakPolarHBondContact CA-O 3.36Å; S43-D68 WeakPolarHBondContact CB-O 3.23Å; S43-D68 VanDerWaalsContact OG-C 3.25Å; S43-D68 PolarHBondContact OG-O 3.33Å; S43-Q70 WeakPolarHBondContact OG-CG 3.47Å
44	A	95.3	Very high	72.9	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.017	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	108.6	174.3	0	0	0	0	0	109.6	D68 V69 Q70 I431 V438	A44-D68 PolarHBondContact N-O 3.05Å; A44-V69 HydrophobicContact CB-CG2 4.25Å; A44-V69 CarbonylContact O-C 3.44Å; A44-V69 WeakPolarHBondContact O-CA 3.37Å; A44-Q70 PolarHBondContact O-N 2.76Å; A44-I431 HydrophobicContact CB-CD1 3.99Å; A44-V438 HydrophobicContact CB-CB 4.36Å; A44-V438 HydrophobicContact CB-CG1 3.91Å
45	K	98	Very high	76.2	Confident	39 Å²	39	47.5 Å²	47.5	17%	0.17	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	123.3	172.8	-54	-170.7	178.6	173.6	0	111.6	S43 Y132 H133 K442 P443	S43-K45 PolarHBondContact O-N 3.47Å; K45-Y132 HydrophobicContact CB-CD1 3.87Å; K45-Y132 HydrophobicContact CB-CE1 4.42Å; K45-H133 PolarHBondContact N-CE1 2.9Å; K45-H133 PolarHBondContact N-ND1 2.8Å; K45-H133 PolarHBondContact O-N 3.06Å; K45-H133 PolarHBondContact O-ND1 3.41Å; K45-K442 WeakPolarHBondContact CD-O 3.31Å; K45-K442 VanDerWaalsContact CE-O 3.25Å; K45-K442 WeakPolarHBondContact CE-O 3.36Å; K45-K442 PolarHBondContact NZ-O 3.22Å; K45-P443 VanDerWaalsContact NZ-C 3.28Å; K45-P443 PolarHBondContact NZ-O 2.76Å
46	V	98.7	Very high	79.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.5	179.5	-178.7	0	0	0	0	109.9	L62 V69 Q70 V71 D72 A134 V136 L427	V46-L62 HydrophobicContact CB-CD1 4.34Å; V46-L62 HydrophobicContact CG1-CD1 3.89Å; V46-L62 HydrophobicContact CG2-CD1 4.48Å; V46-V69 HydrophobicContact CG2-CG1 3.95Å; V46-Q70 PolarHBondContact N-O 2.63Å; V46-V71 VanDerWaalsContact O-CA 3.32Å; V46-V71 WeakPolarHBondContact O-CA 3.43Å; V46-D72 PolarHBondContact O-N 2.74Å; V46-A134 WeakPolarHBondContact CA-O 3.47Å; V46-A134 HydrophobicContact CG1-CB 4.33Å; V46-A134 HydrophobicContact CG2-CB 4.37Å; V46-V136 HydrophobicContact CG1-CG2 4.06Å; V46-L427 HydrophobicContact CG1-CD1 3.97Å; V46-L427 HydrophobicContact CG2-CD1 4.43Å; V46-L427 HydrophobicContact CG2-CD2 4.28Å
47	C	98.8	Very high	82.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.9	171.9	171.4	0	0	0	0	110.2	D72 Y74 Y132 A134 V135 V136	C47-D72 CarbonylContact C-O 3.59Å; C47-D72 WeakPolarHBondContact CA-O 3.4Å; C47-Y74 WeakPolarHBondContact SG-CD2 3.41Å; C47-Y132 HydrophobicContact CB-CD1 3.74Å; C47-Y132 HydrophobicContact CB-CD2 3.51Å; C47-Y132 HydrophobicContact CB-CE1 3.96Å; C47-Y132 HydrophobicContact CB-CE2 3.73Å; C47-Y132 HydrophobicContact CB-CG 3.52Å; C47-A134 PolarHBondContact N-O 3.45Å; C47-V135 HydrophobicContact CB-CG2 4.21Å; C47-V135 CarbonylContact O-C 3.58Å; C47-V135 WeakPolarHBondContact O-CA 3.21Å; C47-V136 PolarHBondContact O-N 3.47Å
48	I	98.9	Very high	85.7	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	124.6	174.2	-63.8	-179.4	0	0	0	108.4	G55 T58 A59 V71 D72 I73 Y74 V136 S138	I48-G55 VanDerWaalsContact CG2-CA 3.42Å; I48-T58 HydrophobicContact CD1-CG2 3.9Å; I48-A59 HydrophobicContact CD1-CB 3.68Å; I48-V71 HydrophobicContact CD1-CG1 3.43Å; I48-V71 VanDerWaalsContact CD1-CG1 3.43Å; I48-V71 HydrophobicContact CG1-CG1 3.94Å; I48-D72 PolarHBondContact N-O 2.89Å; I48-I73 HydrophobicContact CB-CG1 4.25Å; I48-I73 HydrophobicContact CD1-CG1 4.5Å; I48-I73 HydrophobicContact CG2-CG2 4.47Å; I48-I73 CarbonylContact O-C 3.35Å; I48-I73 WeakPolarHBondContact O-CA 3.25Å; I48-Y74 PolarHBondContact O-N 2.75Å; I48-V136 WeakPolarHBondContact CA-O 3.46Å; I48-V136 HydrophobicContact CG1-CB 4.25Å; I48-V136 HydrophobicContact CG1-CG2 4.41Å; I48-S138 WeakPolarHBondContact CG2-OG 3.43Å
49	V	98.9	Very high	88.8	Confident	8 Å²	8	24.5 Å²	24.5	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	107.9	-180	-177.2	0	0	0	0	109.1	V119 L128 V135 V136 L137 S138 Y139 I373	V49-V119 HydrophobicContact CB-CG2 4.48Å; V49-V119 HydrophobicContact CG1-CB 3.73Å; V49-V119 HydrophobicContact CG1-CG1 4.08Å; V49-V119 HydrophobicContact CG1-CG2 3.69Å; V49-V119 HydrophobicContact CG2-CG1 4.23Å; V49-V119 HydrophobicContact CG2-CG2 4.07Å; V49-L128 HydrophobicContact CG2-CD1 3.92Å; V49-V135 HydrophobicContact CG2-CG1 4.05Å; V49-V136 PolarHBondContact N-O 2.75Å; V49-L137 HydrophobicContact CB-CD2 3.95Å; V49-L137 HydrophobicContact CG1-CD2 4.45Å; V49-L137 HydrophobicContact CG2-CD2 3.86Å; V49-S138 CarbonylContact O-C 3.24Å; V49-S138 VanDerWaalsContact O-CA 3.25Å; V49-S138 WeakPolarHBondContact O-CA 3.21Å; V49-S138 PolarHBondContact O-N 3.26Å; V49-S138 PolarHBondContact O-OG 2.98Å; V49-Y139 PolarHBondContact O-N 3.04Å; V49-Y139 VanDerWaalsContact O-N 3.13Å; V49-I373 HydrophobicContact CG1-CD1 4.26Å
50	G	98.7	Very high	91.7	Very high	7 Å²	7	19.1 Å²	19.1	7%	0.072	13%	0.13	C	C	.	.			trans	116.4	119.2	-178.5	0	0	0	0	0	112.6	G52 Y74 S138	G50-G52 PolarHBondContact O-N 3.05Å; G50-Y74 WeakPolarHBondContact CA-O 3.36Å; G50-Y74 PolarHBondContact N-O 3.21Å; G50-S138 PolarHBondContact O-OG 3.32Å
51	G	98.1	Very high	94.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-85.4	24.1	177.9	0	0	0	0	0	114.2	F56 E75 F81	G51-F56 WeakPolarHBondContact O-CD2 3.4Å; G51-F56 WeakPolarHBondContact O-CE2 3.44Å; G51-E75 PolarHBondContact N-OE2 3.03Å; G51-F81 CarbonylContact O-C 3.43Å; G51-F81 WeakPolarHBondContact O-CA 3.42Å; G51-F81 PolarHBondContact O-N 3.25Å
52	G	98.5	Very high	96.4	Very high	10 Å²	10	11.3 Å²	11.3	10%	0.103	7%	0.069	C	C	.	.	S	Bend	trans	-87.6	-173.3	178.2	0	0	0	0	0	113.6	G50 A54 G55 F56	G50-G52 PolarHBondContact O-N 3.05Å; G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.18Å; G52-G55 PolarHBondContact O-N 3.21Å; G52-F56 PolarHBondContact O-N 3.4Å
53	P	98.6	Very high	97.9	Very high	18 Å²	18	9 Å²	9	12%	0.117	5%	0.052	C	C	.	.	H	α-helix	trans	-52.9	-41.9	177.1	-30.7	37.4	0	0	0	114.2	F56 Y57 V84 F102 I413 T416	P53-F56 PolarHBondContact O-N 2.71Å; P53-Y57 HydrophobicContact CB-CD2 4.17Å; P53-Y57 HydrophobicContact CB-CE2 4.17Å; P53-Y57 WeakPolarHBondContact O-CB 3.17Å; P53-Y57 WeakPolarHBondContact O-CD2 3.3Å; P53-Y57 PolarHBondContact O-N 2.9Å; P53-V84 HydrophobicContact CG-CG2 3.43Å; P53-V84 VanDerWaalsContact CG-CG2 3.43Å; P53-F102 HydrophobicContact CB-CE2 4.32Å; P53-F102 HydrophobicContact CB-CZ 4.02Å; P53-F102 HydrophobicContact CG-CE2 4.29Å; P53-F102 HydrophobicContact CG-CZ 4.46Å; P53-I413 HydrophobicContact CB-CG2 4.5Å; P53-T416 HydrophobicContact CB-CG2 4.15Å
54	A	98.7	Very high	98.3	Very high	7 Å²	7	15 Å²	15	6%	0.058	8%	0.075	C	C	.	.	H	α-helix	trans	-62.4	-47.1	-178.2	0	0	0	0	0	111.7	G52 T58 T416 S420	G52-A54 VanDerWaalsContact C-N 3.27Å; G52-A54 PolarHBondContact O-N 3.18Å; A54-T58 WeakPolarHBondContact O-CB 3.29Å; A54-T58 PolarHBondContact O-N 2.77Å; A54-T58 PolarHBondContact O-OG1 3.02Å; A54-T58 VanDerWaalsContact O-OG1 3.1Å; A54-T416 HydrophobicContact CB-CG2 3.76Å; A54-S420 VanDerWaalsContact CA-OG 3.3Å; A54-S420 WeakPolarHBondContact CA-OG 3.37Å; A54-S420 PolarHBondContact O-OG 3.35Å
55	G	98.8	Very high	98.4	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.4	-49.1	176.9	0	0	0	0	0	112.4	I48 G52 Y57 T58 A59 S138	I48-G55 VanDerWaalsContact CG2-CA 3.42Å; G52-G55 PolarHBondContact O-N 3.21Å; G55-Y57 PolarHBondContact O-N 3.42Å; G55-T58 PolarHBondContact O-N 2.97Å; G55-A59 WeakPolarHBondContact O-CB 3.17Å; G55-A59 PolarHBondContact O-N 3.22Å; G55-S138 VanDerWaalsContact CA-OG 3.29Å; G55-S138 WeakPolarHBondContact CA-OG 2.89Å; G55-S138 PolarHBondContact N-OG 2.88Å
56	F	98.8	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.8	-37.6	-180	-83.7	-68.9	0	0	0	114	G51 G52 P53 A59 Q60 I73 P80 F81 F102 A106	G51-F56 WeakPolarHBondContact O-CD2 3.4Å; G51-F56 WeakPolarHBondContact O-CE2 3.44Å; G52-F56 PolarHBondContact O-N 3.4Å; P53-F56 PolarHBondContact O-N 2.71Å; F56-A59 PolarHBondContact O-N 3Å; F56-Q60 WeakPolarHBondContact O-CB 3.4Å; F56-Q60 PolarHBondContact O-N 3.06Å; F56-I73 HydrophobicContact CD1-CD1 3.74Å; F56-I73 HydrophobicContact CE1-CD1 3.65Å; F56-I73 HydrophobicContact CG-CD1 4.41Å; F56-I73 HydrophobicContact CZ-CD1 4.28Å; F56-P80 HydrophobicContact CE2-CB 3.95Å; F56-P80 HydrophobicContact CZ-CB 4.07Å; F56-F81 HydrophobicContact CD2-CD1 4.14Å; F56-F81 AromaticContact CE2-CD1 3.59Å; F56-F81 HydrophobicContact CE2-CD1 3.59Å; F56-F81 AromaticContact CE2-CE1 3.83Å; F56-F81 HydrophobicContact CE2-CE1 3.83Å; F56-F81 HydrophobicContact CZ-CD1 4.17Å; F56-F81 AromaticContact CZ-CE1 3.91Å; F56-F81 HydrophobicContact CZ-CE1 3.91Å; F56-F102 HydrophobicContact CB-CB 4.1Å; F56-F102 HydrophobicContact CB-CD1 3.31Å; F56-F102 HydrophobicContact CB-CD2 4.16Å; F56-F102 HydrophobicContact CB-CE1 3.63Å; F56-F102 HydrophobicContact CB-CE2 4.43Å; F56-F102 HydrophobicContact CB-CG 3.6Å; F56-F102 HydrophobicContact CB-CZ 4.2Å; F56-F102 HydrophobicContact CD1-CB 3.82Å; F56-F102 HydrophobicContact CD1-CG 4.28Å; F56-F102 HydrophobicContact CD2-CB 3.98Å; F56-F102 HydrophobicContact CD2-CD2 4.05Å; F56-F102 AromaticContact CD2-CG 3.96Å; F56-F102 HydrophobicContact CD2-CG 3.96Å; F56-F102 HydrophobicContact CE1-CB 4.22Å; F56-F102 HydrophobicContact CE2-CB 4.35Å; F56-F102 HydrophobicContact CG-CB 3.7Å; F56-F102 AromaticContact CG-CD1 3.92Å; F56-F102 HydrophobicContact CG-CD1 3.92Å; F56-F102 HydrophobicContact CG-CD2 4.22Å; F56-F102 AromaticContact CG-CG 3.7Å; F56-F102 HydrophobicContact CG-CG 3.7Å; F56-F102 HydrophobicContact CZ-CB 4.46Å; F56-A106 HydrophobicContact CE1-CB 3.99Å
57	Y	98.8	Very high	97.9	Very high	15 Å²	15	25.9 Å²	25.9	6%	0.059	14%	0.138	C	C	.	.	H	α-helix	trans	-70.3	-36.1	175.6	-75.9	-55.7	0	0	0	112.2	P53 G55 H61 F102 I413 M417 F421	P53-Y57 HydrophobicContact CB-CD2 4.17Å; P53-Y57 HydrophobicContact CB-CE2 4.17Å; P53-Y57 WeakPolarHBondContact O-CB 3.17Å; P53-Y57 WeakPolarHBondContact O-CD2 3.3Å; P53-Y57 PolarHBondContact O-N 2.9Å; G55-Y57 PolarHBondContact O-N 3.42Å; Y57-H61 WeakPolarHBondContact O-CB 3.42Å; Y57-H61 PolarHBondContact O-N 3.44Å; Y57-H61 VanDerWaalsContact O-N 3.07Å; Y57-F102 AromaticContact CD1-CE1 3.91Å; Y57-F102 HydrophobicContact CD1-CE1 3.91Å; Y57-F102 HydrophobicContact CD2-CE1 4.02Å; Y57-F102 HydrophobicContact CD2-CZ 4.01Å; Y57-F102 AromaticContact CE1-CE1 3.69Å; Y57-F102 HydrophobicContact CE1-CE1 3.69Å; Y57-F102 HydrophobicContact CE1-CZ 4.28Å; Y57-F102 AromaticContact CE2-CE1 3.8Å; Y57-F102 HydrophobicContact CE2-CE1 3.8Å; Y57-F102 AromaticContact CE2-CZ 3.58Å; Y57-F102 HydrophobicContact CE2-CZ 3.58Å; Y57-F102 HydrophobicContact CG-CE1 4.07Å; Y57-F102 AromaticContact CZ-CE1 3.63Å; Y57-F102 AromaticContact CZ-CZ 3.73Å; Y57-I413 HydrophobicContact CE2-CG2 3.88Å; Y57-M417 HydrophobicContact CD1-CB 4.17Å; Y57-M417 HydrophobicContact CD1-CG 3.58Å; Y57-M417 HydrophobicContact CD1-SD 4.23Å; Y57-M417 VanDerWaalsContact CD2-CA 3.48Å; Y57-M417 HydrophobicContact CD2-CB 3.62Å; Y57-M417 HydrophobicContact CD2-CG 4Å; Y57-M417 HydrophobicContact CE1-CB 4.09Å; Y57-M417 HydrophobicContact CE1-CG 3.55Å; Y57-M417 HydrophobicContact CE1-SD 3.64Å; Y57-M417 HydrophobicContact CE2-CB 3.54Å; Y57-M417 HydrophobicContact CE2-CG 3.98Å; Y57-M417 HydrophobicContact CG-CB 3.95Å; Y57-M417 HydrophobicContact CG-CG 3.81Å; Y57-F421 AromaticContact CD1-CE1 3.9Å; Y57-F421 HydrophobicContact CD1-CE1 3.9Å; Y57-F421 AromaticContact CD1-CZ 3.97Å; Y57-F421 HydrophobicContact CD1-CZ 3.97Å; Y57-F421 HydrophobicContact CG-CE1 4.28Å; Y57-F421 WeakPolarHBondContact O-CE1 3.34Å
58	T	98.9	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-50.5	170.1	-66.4	0	0	0	0	110.4	I48 A54 G55 Q60 H61 L62 V136 S402 S420 A424	I48-T58 HydrophobicContact CD1-CG2 3.9Å; A54-T58 WeakPolarHBondContact O-CB 3.29Å; A54-T58 PolarHBondContact O-N 2.77Å; A54-T58 PolarHBondContact O-OG1 3.02Å; A54-T58 VanDerWaalsContact O-OG1 3.1Å; G55-T58 PolarHBondContact O-N 2.97Å; T58-Q60 PolarHBondContact O-N 2.61Å; T58-H61 PolarHBondContact O-N 2.85Å; T58-L62 HydrophobicContact CG2-CD1 3.96Å; T58-L62 HydrophobicContact CG2-CG 4.44Å; T58-L62 VanDerWaalsContact O-CG 3.31Å; T58-L62 WeakPolarHBondContact O-CG 3.34Å; T58-L62 PolarHBondContact O-N 2.79Å; T58-V136 HydrophobicContact CG2-CB 4.5Å; T58-V136 HydrophobicContact CG2-CG1 4.2Å; T58-V136 HydrophobicContact CG2-CG2 4.19Å; T58-S402 PolarHBondContact OG1-OG 2.92Å; T58-S420 WeakPolarHBondContact OG1-CB 3.33Å; T58-S420 PolarHBondContact OG1-O 3.22Å; T58-A424 HydrophobicContact CG2-CB 4.3Å
59	A	98.8	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.4	-50	177.6	0	0	0	0	0	111.7	I48 G55 F56 H61 L62 V63 V71 I73 T105	I48-A59 HydrophobicContact CD1-CB 3.68Å; G55-A59 WeakPolarHBondContact O-CB 3.17Å; G55-A59 PolarHBondContact O-N 3.22Å; F56-A59 PolarHBondContact O-N 3Å; A59-H61 VanDerWaalsContact C-N 3.32Å; A59-H61 PolarHBondContact O-N 3.5Å; A59-L62 PolarHBondContact O-N 3.39Å; A59-V63 WeakPolarHBondContact O-CG2 3.4Å; A59-V63 PolarHBondContact O-N 2.99Å; A59-V71 HydrophobicContact CB-CG1 3.87Å; A59-I73 HydrophobicContact CB-CD1 3.82Å; A59-I73 HydrophobicContact CB-CG1 4.36Å; A59-T105 HydrophobicContact CB-CG2 4.01Å
60	Q	98.5	Very high	97.5	Very high	14 Å²	14	31.5 Å²	31.5	7%	0.065	17%	0.165	C	C	.	.	H	α-helix	trans	-55	-47.6	179.4	172.5	176.8	82	0	0	111.6	F56 T58 K64 T105	F56-Q60 WeakPolarHBondContact O-CB 3.4Å; F56-Q60 PolarHBondContact O-N 3.06Å; T58-Q60 PolarHBondContact O-N 2.61Å; Q60-K64 HydrophobicContact CG-CD 3.83Å; Q60-K64 HydrophobicContact CG-CG 4.42Å; Q60-K64 VanDerWaalsContact O-CB 3.27Å; Q60-K64 WeakPolarHBondContact O-CB 3.24Å; Q60-K64 VanDerWaalsContact O-CG 3.27Å; Q60-K64 WeakPolarHBondContact O-CG 3.25Å; Q60-K64 PolarHBondContact O-N 2.99Å; Q60-T105 HydrophobicContact CB-CG2 4Å
61	H	98.6	Very high	97.5	Very high	36 Å²	36	31.2 Å²	31.2	17%	0.167	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-44.1	-178.3	-163.7	93.4	0	0	0	111	Y57 T58 A59 K64 T65 F421 A424 R425	Y57-H61 WeakPolarHBondContact O-CB 3.42Å; Y57-H61 PolarHBondContact O-N 3.44Å; Y57-H61 VanDerWaalsContact O-N 3.07Å; T58-H61 PolarHBondContact O-N 2.85Å; A59-H61 VanDerWaalsContact C-N 3.32Å; A59-H61 PolarHBondContact O-N 3.5Å; H61-K64 PolarHBondContact O-N 3.45Å; H61-T65 WeakPolarHBondContact O-CB 3.14Å; H61-T65 PolarHBondContact O-N 2.77Å; H61-T65 PolarHBondContact O-OG1 2.66Å; H61-F421 HydrophobicContact CB-CD1 3.7Å; H61-F421 HydrophobicContact CB-CE1 4.13Å; H61-F421 AromaticContact CG-CD1 3.96Å; H61-F421 AromaticContact ND1-CD1 3.6Å; H61-F421 AromaticContact ND1-CG 3.63Å; H61-A424 HydrophobicContact CB-CB 3.65Å; H61-R425 VanDerWaalsContact NE2-CG 3.29Å; H61-R425 WeakPolarHBondContact NE2-CG 3.27Å
62	L	98.4	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-50.9	178.6	-67.7	173.1	0	0	0	112	V46 T58 A59 K64 T65 R66 V69 V71 A424 L427 L428	V46-L62 HydrophobicContact CB-CD1 4.34Å; V46-L62 HydrophobicContact CG1-CD1 3.89Å; V46-L62 HydrophobicContact CG2-CD1 4.48Å; T58-L62 HydrophobicContact CG2-CD1 3.96Å; T58-L62 HydrophobicContact CG2-CG 4.44Å; T58-L62 VanDerWaalsContact O-CG 3.31Å; T58-L62 WeakPolarHBondContact O-CG 3.34Å; T58-L62 PolarHBondContact O-N 2.79Å; A59-L62 PolarHBondContact O-N 3.39Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-T65 PolarHBondContact O-N 3.49Å; L62-R66 PolarHBondContact O-N 3.11Å; L62-V69 HydrophobicContact CB-CG1 4.22Å; L62-V71 HydrophobicContact CB-CG2 4.06Å; L62-V71 HydrophobicContact CD1-CG2 4.07Å; L62-A424 HydrophobicContact CD2-CB 4.14Å; L62-A424 HydrophobicContact CG-CB 4.2Å; L62-L427 HydrophobicContact CD2-CD2 3.99Å; L62-L428 HydrophobicContact CD2-CD1 4.32Å; L62-L428 HydrophobicContact CD2-CD2 3.53Å; L62-L428 HydrophobicContact CD2-CG 3.76Å
63	V	97.6	Very high	97.5	Very high	7 Å²	7	31 Å²	31	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-70.8	-30.2	-177.5	-58.4	0	0	0	0	112.7	A59 V71 R110	A59-V63 WeakPolarHBondContact O-CG2 3.4Å; A59-V63 PolarHBondContact O-N 2.99Å; V63-V71 HydrophobicContact CG1-CB 4.46Å; V63-V71 HydrophobicContact CG1-CG2 3.89Å; V63-R110 PolarHBondContact O-NH2 2.93Å
64	K	96.3	Very high	97.6	Very high	151 Å²	151	30.3 Å²	30.3	66%	0.657	15%	0.153	S	C	*	.	H	α-helix	trans	-73.5	-35.6	175.8	-78	-177.5	175.5	177.7	0	113	Q60 H61 L62	Q60-K64 HydrophobicContact CG-CD 3.83Å; Q60-K64 HydrophobicContact CG-CG 4.42Å; Q60-K64 VanDerWaalsContact O-CB 3.27Å; Q60-K64 WeakPolarHBondContact O-CB 3.24Å; Q60-K64 VanDerWaalsContact O-CG 3.27Å; Q60-K64 WeakPolarHBondContact O-CG 3.25Å; Q60-K64 PolarHBondContact O-N 2.99Å; H61-K64 PolarHBondContact O-N 3.45Å; L62-K64 PolarHBondContact O-N 2.78Å
65	T	96.6	Very high	97.6	Very high	82 Å²	82	30.8 Å²	30.8	50%	0.503	16%	0.155	S	C	.	.	H	α-helix	trans	-87	-32.3	-171.8	-58.6	0	0	0	0	113.3	H61 L62 L428	H61-T65 WeakPolarHBondContact O-CB 3.14Å; H61-T65 PolarHBondContact O-N 2.77Å; H61-T65 PolarHBondContact O-OG1 2.66Å; L62-T65 PolarHBondContact O-N 3.49Å; T65-L428 HydrophobicContact CG2-CD1 3.48Å; T65-L428 VanDerWaalsContact CG2-CD1 3.48Å
66	R	93.2	Very high	97.5	Very high	66 Å²	66	35.2 Å²	35.2	25%	0.249	17%	0.171	C	C	.	.			trans	-128.6	144.8	-178.4	-74.8	-170.4	76.7	128.9	-4.3	111.4	L62 D68 V69 R110 L428	L62-R66 PolarHBondContact O-N 3.11Å; R66-D68 WeakPolarHBondContact CB-OD1 3.27Å; R66-D68 IonicContact CZ-OD1 2.72Å; R66-D68 IonicContact CZ-OD2 2.79Å; R66-D68 IonicContact NE-OD1 3.55Å; R66-D68 PolarHBondContact NE-OD1 3.28Å; R66-D68 IonicContact NE-OD2 3.9Å; R66-D68 IonicContact NH2-OD1 2.62Å; R66-D68 PolarHBondContact NH2-OD1 3.02Å; R66-D68 IonicContact NH2-OD2 3.75Å; R66-D68 PolarHBondContact NH2-OD2 3.01Å; R66-V69 HydrophobicContact CB-CB 4.44Å; R66-V69 HydrophobicContact CB-CG2 3.73Å; R66-V69 HydrophobicContact CG-CG2 4.45Å; R66-R110 VanDerWaalsContact O-CZ 3.28Å; R66-R110 PolarHBondContact O-NH1 2.94Å; R66-R110 PolarHBondContact O-NH2 3.23Å; R66-R110 VanDerWaalsContact O-NH2 3.08Å; R66-L428 VanDerWaalsContact CD-CD2 3.45Å; R66-L428 HydrophobicContact CG-CD1 4.39Å; R66-L428 HydrophobicContact CG-CD2 4.06Å
67	T	93.3	Very high	97.5	Very high	123 Å²	123	36.3 Å²	36.3	76%	0.755	18%	0.177	S	C	*	.	S	Bend	trans	-90.1	-17.8	177.6	50.2	0	0	0	0	113.3	R110	T67-R110 WeakPolarHBondContact O-CD 3.31Å; T67-R110 PolarHBondContact O-NH1 3.07Å
68	D	93.6	Very high	97.5	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.241	18%	0.175	C	C	.	.	S	Bend	trans	-102.2	18.6	-175.6	64.4	-24.5	0	0	0	113.3	S43 A44 R66	S43-D68 CarbonylContact C-O 3.38Å; S43-D68 WeakPolarHBondContact CA-O 3.36Å; S43-D68 WeakPolarHBondContact CB-O 3.23Å; S43-D68 VanDerWaalsContact OG-C 3.25Å; S43-D68 PolarHBondContact OG-O 3.33Å; A44-D68 PolarHBondContact N-O 3.05Å; R66-D68 WeakPolarHBondContact CB-OD1 3.27Å; R66-D68 IonicContact CZ-OD1 2.72Å; R66-D68 IonicContact CZ-OD2 2.79Å; R66-D68 IonicContact NE-OD1 3.55Å; R66-D68 PolarHBondContact NE-OD1 3.28Å; R66-D68 IonicContact NE-OD2 3.9Å; R66-D68 IonicContact NH2-OD1 2.62Å; R66-D68 PolarHBondContact NH2-OD1 3.02Å; R66-D68 IonicContact NH2-OD2 3.75Å; R66-D68 PolarHBondContact NH2-OD2 3.01Å
69	V	96.8	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	133.1	175.7	177.5	0	0	0	0	110.7	A44 V46 L62 R66 V71 R110 L428	A44-V69 HydrophobicContact CB-CG2 4.25Å; A44-V69 CarbonylContact O-C 3.44Å; A44-V69 WeakPolarHBondContact O-CA 3.37Å; V46-V69 HydrophobicContact CG2-CG1 3.95Å; L62-V69 HydrophobicContact CB-CG1 4.22Å; R66-V69 HydrophobicContact CB-CB 4.44Å; R66-V69 HydrophobicContact CB-CG2 3.73Å; R66-V69 HydrophobicContact CG-CG2 4.45Å; V69-V71 HydrophobicContact CG1-CG2 4.01Å; V69-R110 PolarHBondContact O-NH1 3.2Å; V69-L428 HydrophobicContact CG2-CD2 4.32Å
70	Q	97.9	Very high	97.5	Very high	81 Å²	81	35.7 Å²	35.7	38%	0.379	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.8	169.1	-74.7	174.4	4.9	0	0	109.5	S43 A44 V46	S43-Q70 WeakPolarHBondContact OG-CG 3.47Å; A44-Q70 PolarHBondContact O-N 2.76Å; V46-Q70 PolarHBondContact N-O 2.63Å
71	V	98.6	Very high	97.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.2	-175.3	-178.1	0	0	0	0	110.3	V46 I48 A59 L62 V63 V69 I73 R110 C111 S112	V46-V71 VanDerWaalsContact O-CA 3.32Å; V46-V71 WeakPolarHBondContact O-CA 3.43Å; I48-V71 HydrophobicContact CD1-CG1 3.43Å; I48-V71 VanDerWaalsContact CD1-CG1 3.43Å; I48-V71 HydrophobicContact CG1-CG1 3.94Å; A59-V71 HydrophobicContact CB-CG1 3.87Å; L62-V71 HydrophobicContact CB-CG2 4.06Å; L62-V71 HydrophobicContact CD1-CG2 4.07Å; V63-V71 HydrophobicContact CG1-CB 4.46Å; V63-V71 HydrophobicContact CG1-CG2 3.89Å; V69-V71 HydrophobicContact CG1-CG2 4.01Å; V71-I73 HydrophobicContact CG1-CG1 4.26Å; V71-R110 PolarHBondContact N-O 2.86Å; V71-C111 CarbonylContact O-C 3.48Å; V71-C111 VanDerWaalsContact O-CA 3.22Å; V71-C111 WeakPolarHBondContact O-CA 3.42Å; V71-S112 PolarHBondContact O-N 2.87Å
72	D	98.9	Very high	97.4	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.9	171	-63.9	-36.1	0	0	0	109.3	V46 C47 I48 Y74 S112 H114 Y132 S445	V46-D72 PolarHBondContact O-N 2.74Å; C47-D72 CarbonylContact C-O 3.59Å; C47-D72 WeakPolarHBondContact CA-O 3.4Å; I48-D72 PolarHBondContact N-O 2.89Å; D72-Y74 HydrophobicContact CB-CE2 3.95Å; D72-S112 WeakPolarHBondContact CA-O 3.33Å; D72-S112 WeakPolarHBondContact OD1-CB 3.15Å; D72-S112 PolarHBondContact OD1-OG 3.44Å; D72-H114 IonicContact OD1-NE2 2.75Å; D72-Y132 HydrophobicContact CB-CE1 4.01Å; D72-Y132 WeakPolarHBondContact CB-OH 3.43Å; D72-Y132 WeakPolarHBondContact OD2-CE1 3.38Å; D72-Y132 VanDerWaalsContact OD2-CZ 3.31Å; D72-Y132 PolarHBondContact OD2-OH 3.48Å; D72-S445 WeakPolarHBondContact OD2-CB 3.49Å; D72-S445 PolarHBondContact OD2-N 3.26Å; D72-S445 PolarHBondContact OD2-OG 3.37Å
73	I	98.9	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	118.8	179.2	-55.6	176.2	0	0	0	109	I48 F56 A59 V71 S112 F113 H114	I48-I73 HydrophobicContact CB-CG1 4.25Å; I48-I73 HydrophobicContact CD1-CG1 4.5Å; I48-I73 HydrophobicContact CG2-CG2 4.47Å; I48-I73 CarbonylContact O-C 3.35Å; I48-I73 WeakPolarHBondContact O-CA 3.25Å; F56-I73 HydrophobicContact CD1-CD1 3.74Å; F56-I73 HydrophobicContact CE1-CD1 3.65Å; F56-I73 HydrophobicContact CG-CD1 4.41Å; F56-I73 HydrophobicContact CZ-CD1 4.28Å; A59-I73 HydrophobicContact CB-CD1 3.82Å; A59-I73 HydrophobicContact CB-CG1 4.36Å; V71-I73 HydrophobicContact CG1-CG1 4.26Å; I73-S112 PolarHBondContact N-O 2.59Å; I73-F113 HydrophobicContact CB-CD2 4.26Å; I73-F113 HydrophobicContact CG2-CD2 4.17Å; I73-F113 CarbonylContact O-C 3.58Å; I73-F113 WeakPolarHBondContact O-CA 3.32Å; I73-H114 PolarHBondContact O-N 2.76Å
74	Y	98.9	Very high	97.5	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.7	174.4	-69.5	-95.2	0	0	0	110.7	C47 I48 G50 D72 H114 V117 L128 Y132 V448 L452	C47-Y74 WeakPolarHBondContact SG-CD2 3.41Å; I48-Y74 PolarHBondContact O-N 2.75Å; G50-Y74 WeakPolarHBondContact CA-O 3.36Å; G50-Y74 PolarHBondContact N-O 3.21Å; D72-Y74 HydrophobicContact CB-CE2 3.95Å; Y74-H114 WeakPolarHBondContact CA-O 3.41Å; Y74-H114 HydrophobicContact CD1-CB 3.68Å; Y74-H114 HydrophobicContact CE1-CB 3.78Å; Y74-H114 AromaticContact CE1-CG 3.98Å; Y74-H114 HydrophobicContact CG-CB 4.26Å; Y74-V117 HydrophobicContact CD1-CB 4.02Å; Y74-V117 HydrophobicContact CD1-CG1 3.79Å; Y74-V117 HydrophobicContact CD1-CG2 4.34Å; Y74-V117 HydrophobicContact CE1-CG1 4.37Å; Y74-L128 HydrophobicContact CE2-CD2 4.34Å; Y74-Y132 HydrophobicContact CE2-CE2 4.2Å; Y74-Y132 WeakPolarHBondContact CE2-OH 3.4Å; Y74-Y132 PolarHBondContact OH-OH 3.29Å; Y74-V448 HydrophobicContact CE1-CG1 3.86Å; Y74-V448 WeakPolarHBondContact OH-CB 3.45Å; Y74-V448 WeakPolarHBondContact OH-CG1 3.35Å; Y74-L452 HydrophobicContact CE1-CD1 4.47Å
75	E	98.8	Very high	97.6	Very high	18 Å²	18	30.7 Å²	30.7	8%	0.084	16%	0.16	C	C	.	.			trans	-136	138.2	177.9	172.8	50.2	-120.1	0	0	109.6	G51 L77 F113 H114 G115 N116 V117	G51-E75 PolarHBondContact N-OE2 3.03Å; E75-L77 HydrophobicContact CG-CB 4.4Å; E75-L77 WeakPolarHBondContact CG-O 3.14Å; E75-L77 PolarHBondContact OE1-N 3.21Å; E75-F113 HydrophobicContact CB-CE2 3.54Å; E75-F113 HydrophobicContact CB-CZ 3.67Å; E75-F113 HydrophobicContact CG-CE2 4.27Å; E75-F113 HydrophobicContact CG-CZ 4.09Å; E75-H114 PolarHBondContact N-O 3.44Å; E75-G115 CarbonylContact O-C 3.54Å; E75-G115 VanDerWaalsContact O-C 3.24Å; E75-G115 VanDerWaalsContact O-CA 3.3Å; E75-G115 WeakPolarHBondContact O-CA 3.47Å; E75-N116 PolarHBondContact O-N 2.96Å; E75-V117 CarbonylContact C-O 3.56Å; E75-V117 PolarHBondContact O-N 3.32Å
76	R	98.1	Very high	97.7	Very high	92 Å²	92	27.2 Å²	27.2	35%	0.347	14%	0.138	S	C	.	.	S	Bend	trans	-73.3	-28.3	-177.9	57	162.6	-164.9	172.9	-1	113.5	N116 V117 R118 E142	R76-N116 WeakPolarHBondContact O-CA 3.24Å; R76-V117 VanDerWaalsContact CA-O 3.31Å; R76-V117 WeakPolarHBondContact CA-O 3.29Å; R76-V117 PolarHBondContact N-O 2.89Å; R76-R118 HydrophobicContact CB-CB 4.42Å; R76-R118 HydrophobicContact CB-CG 3.54Å; R76-E142 VanDerWaalsContact CZ-CD 3.45Å; R76-E142 IonicContact CZ-OE1 3.33Å; R76-E142 IonicContact CZ-OE2 2.67Å; R76-E142 VanDerWaalsContact CZ-OE2 3.24Å; R76-E142 IonicContact NH1-OE1 3.15Å; R76-E142 PolarHBondContact NH1-OE1 2.94Å; R76-E142 IonicContact NH1-OE2 3.56Å; R76-E142 PolarHBondContact NH1-OE2 2.79Å; R76-E142 IonicContact NH2-OE1 2.62Å; R76-E142 PolarHBondContact NH2-OE1 3.26Å; R76-E142 IonicContact NH2-OE2 3.88Å; R76-E142 PolarHBondContact NH2-OE2 2.85Å
77	L	98.4	Very high	97.9	Very high	24 Å²	24	24.9 Å²	24.9	13%	0.126	13%	0.134	C	C	.	.	S	Bend	trans	-88.2	155.3	175.6	-66.4	176.8	0	0	0	110.2	E75 V79 F86 G115 N116 L170	E75-L77 HydrophobicContact CG-CB 4.4Å; E75-L77 WeakPolarHBondContact CG-O 3.14Å; E75-L77 PolarHBondContact OE1-N 3.21Å; L77-V79 HydrophobicContact CB-CG2 4.34Å; L77-V79 PolarHBondContact O-N 2.69Å; L77-V79 VanDerWaalsContact O-N 3.15Å; L77-F86 HydrophobicContact CD1-CD2 4.25Å; L77-F86 HydrophobicContact CD1-CE2 3.44Å; L77-F86 VanDerWaalsContact CD1-CE2 3.44Å; L77-F86 HydrophobicContact CD1-CZ 3.83Å; L77-G115 CarbonylContact O-C 3.49Å; L77-G115 WeakPolarHBondContact O-CA 3.36Å; L77-N116 PolarHBondContact O-N 3.34Å; L77-L170 HydrophobicContact CD1-CD1 3.99Å
78	P	98.4	Very high	98.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	11%	0.105	C	C	.	.	S	Bend	trans	-59.1	-20.4	169.8	-25.7	35.6	0	0	0	113.6	N116 V460 I468 V489 M492 L493	P78-N116 HydrophobicContact CG-CB 4.37Å; P78-V460 HydrophobicContact CB-CG2 4.09Å; P78-V460 WeakPolarHBondContact O-CG1 3.37Å; P78-I468 HydrophobicContact CB-CD1 4.12Å; P78-V489 HydrophobicContact CG-CG1 3.86Å; P78-M492 HydrophobicContact CB-CB 4.15Å; P78-M492 HydrophobicContact CB-SD 4.32Å; P78-M492 HydrophobicContact CG-CB 4.16Å; P78-M492 HydrophobicContact CG-SD 4.16Å; P78-L493 HydrophobicContact CB-CD2 4.34Å; P78-L493 HydrophobicContact CG-CD2 3.96Å; P78-L493 HydrophobicContact CG-CG 4.27Å
79	V	98.5	Very high	98.3	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.093	C	C	.	.	S	Bend	trans	-115.5	139.3	-170.8	-49.1	0	0	0	0	111.1	L77 F86 W465 I468 M492	L77-V79 HydrophobicContact CB-CG2 4.34Å; L77-V79 PolarHBondContact O-N 2.69Å; L77-V79 VanDerWaalsContact O-N 3.15Å; V79-F86 HydrophobicContact CG2-CE2 3.85Å; V79-F86 HydrophobicContact CG2-CZ 3.45Å; V79-F86 VanDerWaalsContact CG2-CZ 3.45Å; V79-W465 HydrophobicContact CB-CD2 4.46Å; V79-W465 HydrophobicContact CB-CE3 3.52Å; V79-W465 HydrophobicContact CB-CH2 4.13Å; V79-W465 HydrophobicContact CB-CZ3 3.34Å; V79-W465 HydrophobicContact CG1-CE3 3.43Å; V79-W465 VanDerWaalsContact CG1-CE3 3.43Å; V79-W465 HydrophobicContact CG1-CH2 4.35Å; V79-W465 HydrophobicContact CG1-CZ3 3.23Å; V79-I468 HydrophobicContact CG1-CD1 4.16Å; V79-I468 HydrophobicContact CG1-CG2 4.18Å; V79-M492 HydrophobicContact CG1-SD 3.8Å
80	P	98.6	Very high	98.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.			trans	-83.6	-169.8	-179.2	33.9	-34	0	0	0	113.2	F56 G82 F113 F462 W465	F56-P80 HydrophobicContact CE2-CB 3.95Å; F56-P80 HydrophobicContact CZ-CB 4.07Å; P80-G82 VanDerWaalsContact C-N 3.33Å; P80-G82 PolarHBondContact O-N 3.32Å; P80-F113 HydrophobicContact CB-CE1 4.5Å; P80-F113 HydrophobicContact CB-CE2 3.78Å; P80-F113 HydrophobicContact CB-CZ 3.77Å; P80-F113 HydrophobicContact CG-CZ 4.39Å; P80-F462 HydrophobicContact CG-CE2 4.15Å; P80-W465 VanDerWaalsContact CD-CE2 3.48Å; P80-W465 VanDerWaalsContact CD-CG 3.48Å; P80-W465 HydrophobicContact CG-CD2 3.91Å; P80-W465 HydrophobicContact CG-CG 3.9Å; P80-W465 HydrophobicContact CG-CZ2 4.41Å
81	F	98.6	Very high	98.4	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.018	8%	0.084	C	C	.	.			trans	79.6	-8	169.9	-43.6	-46.8	0	0	0	116.8	G51 F56 L83 V84 R85 I99 F102 F462 W465	G51-F81 CarbonylContact O-C 3.43Å; G51-F81 WeakPolarHBondContact O-CA 3.42Å; G51-F81 PolarHBondContact O-N 3.25Å; F56-F81 HydrophobicContact CD2-CD1 4.14Å; F56-F81 AromaticContact CE2-CD1 3.59Å; F56-F81 HydrophobicContact CE2-CD1 3.59Å; F56-F81 AromaticContact CE2-CE1 3.83Å; F56-F81 HydrophobicContact CE2-CE1 3.83Å; F56-F81 HydrophobicContact CZ-CD1 4.17Å; F56-F81 AromaticContact CZ-CE1 3.91Å; F56-F81 HydrophobicContact CZ-CE1 3.91Å; F81-L83 PolarHBondContact O-N 3.44Å; F81-V84 HydrophobicContact CB-CB 4.33Å; F81-V84 WeakPolarHBondContact O-CB 3.33Å; F81-V84 PolarHBondContact O-N 2.83Å; F81-R85 HydrophobicContact CB-CB 4.29Å; F81-I99 HydrophobicContact CB-CD1 4.38Å; F81-I99 HydrophobicContact CB-CG1 4.18Å; F81-I99 HydrophobicContact CD1-CG1 4.34Å; F81-I99 HydrophobicContact CD2-CB 4.48Å; F81-I99 HydrophobicContact CD2-CD1 3.87Å; F81-I99 HydrophobicContact CD2-CG1 3.83Å; F81-I99 HydrophobicContact CD2-CG2 3.92Å; F81-I99 HydrophobicContact CE1-CG2 4.3Å; F81-I99 HydrophobicContact CE2-CB 4.46Å; F81-I99 HydrophobicContact CE2-CD1 4.47Å; F81-I99 HydrophobicContact CE2-CG1 4.29Å; F81-I99 HydrophobicContact CE2-CG2 3.48Å; F81-I99 VanDerWaalsContact CE2-CG2 3.48Å; F81-I99 HydrophobicContact CG-CD1 4.25Å; F81-I99 HydrophobicContact CG-CG1 3.86Å; F81-I99 HydrophobicContact CG-CG2 4.49Å; F81-I99 HydrophobicContact CZ-CG2 3.71Å; F81-F102 HydrophobicContact CD1-CB 3.96Å; F81-F102 AromaticContact CD1-CD2 3.94Å; F81-F102 HydrophobicContact CD1-CD2 3.94Å; F81-F102 HydrophobicContact CD1-CG 4.45Å; F81-F102 HydrophobicContact CE1-CB 3.66Å; F81-F102 HydrophobicContact CE1-CD2 4.49Å; F81-F462 HydrophobicContact CE1-CE2 4.49Å; F81-F462 HydrophobicContact CZ-CE2 4.16Å; F81-F462 HydrophobicContact CZ-CZ 4.28Å; F81-W465 HydrophobicContact CD2-CZ2 4.33Å; F81-W465 AromaticContact CE2-CZ2 3.85Å; F81-W465 HydrophobicContact CE2-CZ2 3.85Å; F81-W465 AromaticContact CE2-NE1 3.83Å
82	G	98.1	Very high	98.4	Very high	17 Å²	17	16.2 Å²	16.2	18%	0.175	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-127.4	171.1	0	0	0	0	0	112.6	P80 V84 R85 F86	P80-G82 VanDerWaalsContact C-N 3.33Å; P80-G82 PolarHBondContact O-N 3.32Å; G82-V84 PolarHBondContact O-N 2.73Å; G82-V84 VanDerWaalsContact O-N 3.16Å; G82-R85 PolarHBondContact O-N 3.37Å; G82-F86 WeakPolarHBondContact O-CD2 3.49Å; G82-F86 PolarHBondContact O-N 2.68Å
83	L	97.9	Very high	98.3	Very high	74 Å²	74	19.4 Å²	19.4	39%	0.387	11%	0.107	S	C	.	.	H	α-helix	trans	-66.9	-12.3	-177.9	-67.7	179.3	0	0	0	114.9	F81 R85 G87 V88 W404	F81-L83 PolarHBondContact O-N 3.44Å; L83-R85 VanDerWaalsContact C-N 3.28Å; L83-G87 CarbonylContact O-C 3.53Å; L83-G87 WeakPolarHBondContact O-CA 3.15Å; L83-G87 PolarHBondContact O-N 2.8Å; L83-V88 PolarHBondContact O-N 2.98Å; L83-W404 HydrophobicContact CD1-CE3 3.95Å; L83-W404 HydrophobicContact CD1-CH2 3.77Å; L83-W404 HydrophobicContact CD1-CZ3 3.36Å
84	V	98.4	Very high	98.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-38.6	170.3	-176.6	0	0	0	0	110.1	P53 F81 G82 K96 V98 I99 F102 I413	P53-V84 HydrophobicContact CG-CG2 3.43Å; P53-V84 VanDerWaalsContact CG-CG2 3.43Å; F81-V84 HydrophobicContact CB-CB 4.33Å; F81-V84 WeakPolarHBondContact O-CB 3.33Å; F81-V84 PolarHBondContact O-N 2.83Å; G82-V84 PolarHBondContact O-N 2.73Å; G82-V84 VanDerWaalsContact O-N 3.16Å; V84-K96 HydrophobicContact CG1-CB 4.16Å; V84-K96 HydrophobicContact CG1-CG 4.29Å; V84-K96 PolarHBondContact O-NZ 3.04Å; V84-V98 HydrophobicContact CG1-CG2 3.82Å; V84-V98 HydrophobicContact CG2-CG2 3.93Å; V84-I99 HydrophobicContact CG1-CD1 3.86Å; V84-I99 HydrophobicContact CG1-CG1 3.74Å; V84-F102 HydrophobicContact CG2-CE2 4.24Å; V84-I413 HydrophobicContact CG2-CD1 3.99Å
85	R	98.5	Very high	98	Very high	7 Å²	7	25.6 Å²	25.6	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-80.9	-47	176	-179.3	175.8	170.2	83.8	4.7	112	F81 G82 L83 K96 E472	F81-R85 HydrophobicContact CB-CB 4.29Å; G82-R85 PolarHBondContact O-N 3.37Å; L83-R85 VanDerWaalsContact C-N 3.28Å; R85-K96 PolarHBondContact O-NZ 3.16Å; R85-E472 IonicContact CZ-OE1 3.74Å; R85-E472 IonicContact CZ-OE2 3.58Å; R85-E472 VanDerWaalsContact CZ-OE2 3.28Å; R85-E472 IonicContact NH1-OE1 3.14Å; R85-E472 IonicContact NH1-OE2 2.8Å; R85-E472 PolarHBondContact NH1-OE2 3.48Å; R85-E472 IonicContact NH2-OE1 2.68Å; R85-E472 PolarHBondContact NH2-OE1 2.9Å; R85-E472 IonicContact NH2-OE2 3.48Å; R85-E472 PolarHBondContact NH2-OE2 3.1Å
86	F	98.3	Very high	97.9	Very high	9 Å²	9	25.7 Å²	25.7	4%	0.039	14%	0.139	C	C	.	.	H	α-helix	trans	-101.5	-8.3	-168.6	-60.2	-60.6	0	0	0	115.7	L77 V79 G82 N168 G169 L170	L77-F86 HydrophobicContact CD1-CD2 4.25Å; L77-F86 HydrophobicContact CD1-CE2 3.44Å; L77-F86 VanDerWaalsContact CD1-CE2 3.44Å; L77-F86 HydrophobicContact CD1-CZ 3.83Å; V79-F86 HydrophobicContact CG2-CE2 3.85Å; V79-F86 HydrophobicContact CG2-CZ 3.45Å; V79-F86 VanDerWaalsContact CG2-CZ 3.45Å; G82-F86 WeakPolarHBondContact O-CD2 3.49Å; G82-F86 PolarHBondContact O-N 2.68Å; F86-N168 WeakPolarHBondContact O-CB 3.39Å; F86-N168 PolarHBondContact O-ND2 3.18Å; F86-N168 VanDerWaalsContact O-ND2 3.16Å; F86-G169 WeakPolarHBondContact CE1-O 3.33Å; F86-L170 HydrophobicContact CB-CB 4.37Å; F86-L170 HydrophobicContact CB-CD1 4.2Å; F86-L170 HydrophobicContact CB-CD2 4.45Å; F86-L170 HydrophobicContact CD1-CB 3.86Å; F86-L170 HydrophobicContact CD1-CD1 3.91Å; F86-L170 HydrophobicContact CD1-CG 4.45Å; F86-L170 HydrophobicContact CD2-CD1 3.88Å; F86-L170 HydrophobicContact CE1-CB 4.44Å; F86-L170 HydrophobicContact CE1-CD1 4.18Å; F86-L170 HydrophobicContact CE2-CD1 4.16Å; F86-L170 HydrophobicContact CG-CB 4.27Å; F86-L170 HydrophobicContact CG-CD1 3.73Å; F86-L170 HydrophobicContact CG-CG 4.48Å; F86-L170 HydrophobicContact CZ-CD1 4.27Å
87	G	97.4	Very high	97.9	Very high	17 Å²	17	26 Å²	26	18%	0.175	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-56.7	-175.5	0	0	0	0	0	112.9	L83 A89 V164 N168	L83-G87 CarbonylContact O-C 3.53Å; L83-G87 WeakPolarHBondContact O-CA 3.15Å; L83-G87 PolarHBondContact O-N 2.8Å; G87-A89 PolarHBondContact O-N 2.75Å; G87-V164 WeakPolarHBondContact O-CG1 2.93Å; G87-N168 PolarHBondContact O-ND2 3.25Å; G87-N168 VanDerWaalsContact O-ND2 3.15Å
88	V	98.4	Very high	97.9	Very high	23 Å²	23	26.3 Å²	26.3	14%	0.139	15%	0.151	C	C	.	.	S	Bend	trans	-52.3	127.1	177.7	174.9	0	0	0	0	109.2	L83 H92 V95 K96 N168 I413	L83-V88 PolarHBondContact O-N 2.98Å; V88-H92 HydrophobicContact CG1-CB 3.87Å; V88-V95 HydrophobicContact CG1-CB 3.76Å; V88-V95 HydrophobicContact CG1-CG1 3.86Å; V88-V95 HydrophobicContact CG2-CG1 3.82Å; V88-K96 HydrophobicContact CB-CG 4.24Å; V88-K96 HydrophobicContact CG1-CG 3.81Å; V88-K96 PolarHBondContact O-NZ 3.08Å; V88-N168 PolarHBondContact O-ND2 3.08Å; V88-N168 PolarHBondContact O-OD1 3.25Å; V88-I413 HydrophobicContact CG2-CD1 4.19Å
89	A	98.3	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.158	C	C	.	.			trans	-58.5	147.9	-176.3	0	0	0	0	0	111.5	G87 D91 H92 D196 R199	G87-A89 PolarHBondContact O-N 2.75Å; A89-D91 WeakPolarHBondContact CB-OD1 3.49Å; A89-D91 PolarHBondContact O-N 3.44Å; A89-H92 PolarHBondContact O-N 3.42Å; A89-D196 HydrophobicContact CB-CB 4.26Å; A89-R199 VanDerWaalsContact CB-NH2 3.29Å
90	P	98.3	Very high	97.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-23.8	-176.9	28.7	-38.2	0	0	0	112.9	H92 Y167 I200 T211 D212 I213	P90-H92 VanDerWaalsContact C-N 3.27Å; P90-H92 PolarHBondContact O-N 3.13Å; P90-Y167 VanDerWaalsContact CD-CE2 3.47Å; P90-Y167 HydrophobicContact CG-CD2 4.2Å; P90-Y167 HydrophobicContact CG-CE2 4.35Å; P90-I200 HydrophobicContact CG-CD1 3.67Å; P90-T211 WeakPolarHBondContact O-CB 3.46Å; P90-D212 WeakPolarHBondContact CA-OD1 3.42Å; P90-D212 WeakPolarHBondContact CB-OD1 3.44Å; P90-I213 HydrophobicContact CB-CB 3.86Å; P90-I213 HydrophobicContact CG-CB 3.8Å; P90-I213 HydrophobicContact CG-CD1 4.35Å; P90-I213 HydrophobicContact CG-CG1 4.12Å
91	D	97.8	Very high	97.8	Very high	32 Å²	32	34.6 Å²	34.6	17%	0.171	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	8.6	173.1	66.6	-16.4	0	0	0	114.1	A89 P93 R199 L208 T211	A89-D91 WeakPolarHBondContact CB-OD1 3.49Å; A89-D91 PolarHBondContact O-N 3.44Å; D91-P93 VanDerWaalsContact O-CD 3.3Å; D91-P93 WeakPolarHBondContact O-CD 3.39Å; D91-R199 IonicContact OD1-CZ 3.25Å; D91-R199 IonicContact OD1-NE 2.8Å; D91-R199 PolarHBondContact OD1-NE 3.42Å; D91-R199 IonicContact OD1-NH2 2.8Å; D91-R199 PolarHBondContact OD1-NH2 3.25Å; D91-R199 VanDerWaalsContact OD2-CD 3.31Å; D91-R199 WeakPolarHBondContact OD2-CD 3.49Å; D91-R199 IonicContact OD2-CZ 3.05Å; D91-R199 IonicContact OD2-NE 3.22Å; D91-R199 PolarHBondContact OD2-NE 3.49Å; D91-R199 IonicContact OD2-NH2 2.73Å; D91-L208 HydrophobicContact CB-CD2 4.5Å; D91-T211 HydrophobicContact CB-CG2 4.31Å
92	H	97.9	Very high	97.8	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.046	20%	0.196	C	C	.	.			trans	-114.3	56	167.3	-67.3	155.4	0	0	0	112.6	V88 A89 P90 E94 V95 D196 R199 E249	V88-H92 HydrophobicContact CG1-CB 3.87Å; A89-H92 PolarHBondContact O-N 3.42Å; P90-H92 VanDerWaalsContact C-N 3.27Å; P90-H92 PolarHBondContact O-N 3.13Å; H92-E94 VanDerWaalsContact CA-OE2 3.31Å; H92-E94 WeakPolarHBondContact CA-OE2 3.44Å; H92-E94 IonicContact CD2-OE1 2.68Å; H92-E94 PolarHBondContact O-N 3.02Å; H92-V95 HydrophobicContact CB-CB 4.36Å; H92-V95 HydrophobicContact CB-CG2 4.1Å; H92-V95 PolarHBondContact O-N 3.19Å; H92-D196 IonicContact CE1-OD1 2.8Å; H92-D196 PolarHBondContact CE1-OD1 2.78Å; H92-D196 IonicContact ND1-OD1 2.68Å; H92-R199 VanDerWaalsContact CE1-CZ 3.47Å; H92-R199 PolarHBondContact CE1-NH2 3.34Å; H92-R199 PolarHBondContact ND1-NH2 3.47Å; H92-R199 PolarHBondContact NE2-NH2 2.6Å; H92-E249 IonicContact CD2-OE2 2.76Å; H92-E249 IonicContact CE1-OE2 3.12Å; H92-E249 IonicContact NE2-OE1 3.53Å; H92-E249 IonicContact NE2-OE2 2.96Å; H92-E249 PolarHBondContact NE2-OE2 3.23Å
93	P	96.8	Very high	97.8	Very high	74 Å²	74	35.2 Å²	35.2	48%	0.481	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-29.2	-179.1	28.3	-36	0	0	0	112.4	D91 V95 K96 N97	D91-P93 VanDerWaalsContact O-CD 3.3Å; D91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-V95 VanDerWaalsContact C-N 3.25Å; P93-V95 PolarHBondContact O-N 3.43Å; P93-K96 WeakPolarHBondContact O-CB 3.5Å; P93-K96 PolarHBondContact O-N 3.45Å; P93-N97 PolarHBondContact O-N 2.89Å
94	E	96.9	Very high	97.8	Very high	86 Å²	86	38 Å²	38	40%	0.402	21%	0.208	S	C	.	.	H	α-helix	trans	-63.8	-31.4	-180	76.9	-72.2	177.7	0	0	112.8	H92 K96 N97 K245	H92-E94 VanDerWaalsContact CA-OE2 3.31Å; H92-E94 WeakPolarHBondContact CA-OE2 3.44Å; H92-E94 IonicContact CD2-OE1 2.68Å; H92-E94 PolarHBondContact O-N 3.02Å; E94-K96 VanDerWaalsContact C-N 3.3Å; E94-N97 WeakPolarHBondContact O-CB 3.38Å; E94-N97 PolarHBondContact O-N 2.93Å; E94-N97 PolarHBondContact O-ND2 2.81Å; E94-K245 IonicContact OE1-NZ 3.17Å; E94-K245 PolarHBondContact OE1-NZ 3.18Å
95	V	95.5	Very high	97.8	Very high	47 Å²	47	38.3 Å²	38.3	29%	0.285	21%	0.21	S	C	.	.	H	α-helix	trans	-73	-28.9	176.4	179.4	0	0	0	0	110.5	V88 H92 P93 N97 I413	V88-V95 HydrophobicContact CG1-CB 3.76Å; V88-V95 HydrophobicContact CG1-CG1 3.86Å; V88-V95 HydrophobicContact CG2-CG1 3.82Å; H92-V95 HydrophobicContact CB-CB 4.36Å; H92-V95 HydrophobicContact CB-CG2 4.1Å; H92-V95 PolarHBondContact O-N 3.19Å; P93-V95 VanDerWaalsContact C-N 3.25Å; P93-V95 PolarHBondContact O-N 3.43Å; V95-N97 PolarHBondContact O-N 3.15Å; V95-I413 HydrophobicContact CG1-CD1 3.58Å
96	K	97.8	Very high	97.7	Very high	19 Å²	19	38.3 Å²	38.3	8%	0.083	21%	0.212	C	C	.	.	H	α-helix	trans	-73.2	-13.2	177.2	-57.3	180	-173.2	-85.5	0	113.2	V84 R85 V88 P93 E94 V98 I99 D212	V84-K96 HydrophobicContact CG1-CB 4.16Å; V84-K96 HydrophobicContact CG1-CG 4.29Å; V84-K96 PolarHBondContact O-NZ 3.04Å; R85-K96 PolarHBondContact O-NZ 3.16Å; V88-K96 HydrophobicContact CB-CG 4.24Å; V88-K96 HydrophobicContact CG1-CG 3.81Å; V88-K96 PolarHBondContact O-NZ 3.08Å; P93-K96 WeakPolarHBondContact O-CB 3.5Å; P93-K96 PolarHBondContact O-N 3.45Å; E94-K96 VanDerWaalsContact C-N 3.3Å; K96-V98 PolarHBondContact O-N 2.95Å; K96-I99 HydrophobicContact CB-CD1 4.33Å; K96-I99 VanDerWaalsContact O-CB 3.26Å; K96-I99 WeakPolarHBondContact O-CB 3.36Å; K96-I99 VanDerWaalsContact O-CG1 3.27Å; K96-I99 WeakPolarHBondContact O-CG1 3.47Å; K96-I99 PolarHBondContact O-N 2.78Å; K96-D212 IonicContact NZ-OD2 3.67Å
97	N	97.4	Very high	97.7	Very high	98 Å²	98	43.3 Å²	43.3	52%	0.524	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.4	179	-73.9	-26.8	0	0	0	114.7	P93 E94 V95 I99 N100	P93-N97 PolarHBondContact O-N 2.89Å; E94-N97 WeakPolarHBondContact O-CB 3.38Å; E94-N97 PolarHBondContact O-N 2.93Å; E94-N97 PolarHBondContact O-ND2 2.81Å; V95-N97 PolarHBondContact O-N 3.15Å; N97-I99 PolarHBondContact O-N 2.82Å; N97-I99 VanDerWaalsContact O-N 3.16Å; N97-N100 WeakPolarHBondContact O-CB 3.42Å; N97-N100 PolarHBondContact O-N 2.88Å; N97-N100 VanDerWaalsContact O-N 3.1Å
98	V	97.4	Very high	97.7	Very high	32 Å²	32	45.8 Å²	45.8	19%	0.194	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-22.5	172.2	-60.3	0	0	0	0	112.8	V84 K96 N100 T101 F102 I413	V84-V98 HydrophobicContact CG1-CG2 3.82Å; V84-V98 HydrophobicContact CG2-CG2 3.93Å; K96-V98 PolarHBondContact O-N 2.95Å; V98-N100 PolarHBondContact O-N 3.02Å; V98-T101 WeakPolarHBondContact O-CB 3.22Å; V98-T101 PolarHBondContact O-N 2.96Å; V98-F102 HydrophobicContact CB-CE2 4.24Å; V98-F102 HydrophobicContact CB-CZ 4.23Å; V98-F102 HydrophobicContact CG2-CD2 4.45Å; V98-F102 HydrophobicContact CG2-CE2 3.79Å; V98-F102 HydrophobicContact CG2-CZ 4.14Å; V98-F102 WeakPolarHBondContact O-CG 3.49Å; V98-F102 PolarHBondContact O-N 3.34Å; V98-F102 VanDerWaalsContact O-N 3.12Å; V98-I413 HydrophobicContact CG1-CG2 4.37Å; V98-I413 HydrophobicContact CG2-CD1 4.38Å
99	I	98.1	Very high	97.6	Very high	30 Å²	30	49.8 Å²	49.8	15%	0.154	28%	0.278	C	S	.	.	H	α-helix	trans	-54.3	-36.2	173.1	-72.5	173.2	0	0	0	111.6	F81 V84 K96 N97 T101 F102 T103	F81-I99 HydrophobicContact CB-CD1 4.38Å; F81-I99 HydrophobicContact CB-CG1 4.18Å; F81-I99 HydrophobicContact CD1-CG1 4.34Å; F81-I99 HydrophobicContact CD2-CB 4.48Å; F81-I99 HydrophobicContact CD2-CD1 3.87Å; F81-I99 HydrophobicContact CD2-CG1 3.83Å; F81-I99 HydrophobicContact CD2-CG2 3.92Å; F81-I99 HydrophobicContact CE1-CG2 4.3Å; F81-I99 HydrophobicContact CE2-CB 4.46Å; F81-I99 HydrophobicContact CE2-CD1 4.47Å; F81-I99 HydrophobicContact CE2-CG1 4.29Å; F81-I99 HydrophobicContact CE2-CG2 3.48Å; F81-I99 VanDerWaalsContact CE2-CG2 3.48Å; F81-I99 HydrophobicContact CG-CD1 4.25Å; F81-I99 HydrophobicContact CG-CG1 3.86Å; F81-I99 HydrophobicContact CG-CG2 4.49Å; F81-I99 HydrophobicContact CZ-CG2 3.71Å; V84-I99 HydrophobicContact CG1-CD1 3.86Å; V84-I99 HydrophobicContact CG1-CG1 3.74Å; K96-I99 HydrophobicContact CB-CD1 4.33Å; K96-I99 VanDerWaalsContact O-CB 3.26Å; K96-I99 WeakPolarHBondContact O-CB 3.36Å; K96-I99 VanDerWaalsContact O-CG1 3.27Å; K96-I99 WeakPolarHBondContact O-CG1 3.47Å; K96-I99 PolarHBondContact O-N 2.78Å; N97-I99 PolarHBondContact O-N 2.82Å; N97-I99 VanDerWaalsContact O-N 3.16Å; I99-T101 VanDerWaalsContact C-N 3.28Å; I99-T101 PolarHBondContact O-N 3.13Å; I99-F102 PolarHBondContact O-N 3.41Å; I99-F102 VanDerWaalsContact O-N 3.16Å; I99-T103 WeakPolarHBondContact O-CB 3.37Å; I99-T103 PolarHBondContact O-N 3.4Å; I99-T103 PolarHBondContact O-OG1 3.04Å
100	N	97.8	Very high	97.6	Very high	97 Å²	97	52.2 Å²	52.2	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-60.9	-41.1	179	-63.3	-23.2	0	0	0	111.3	N97 V98 Q104	N97-N100 WeakPolarHBondContact O-CB 3.42Å; N97-N100 PolarHBondContact O-N 2.88Å; N97-N100 VanDerWaalsContact O-N 3.1Å; V98-N100 PolarHBondContact O-N 3.02Å; N100-Q104 WeakPolarHBondContact O-CG 3.5Å; N100-Q104 PolarHBondContact O-N 3.06Å; N100-Q104 VanDerWaalsContact O-N 3.13Å
101	T	97.4	Very high	97.6	Very high	49 Å²	49	52.8 Å²	52.8	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-71.6	-35.3	177.8	-63.8	0	0	0	0	111.9	V98 I99 T105	V98-T101 WeakPolarHBondContact O-CB 3.22Å; V98-T101 PolarHBondContact O-N 2.96Å; I99-T101 VanDerWaalsContact C-N 3.28Å; I99-T101 PolarHBondContact O-N 3.13Å; T101-T105 PolarHBondContact O-N 2.82Å; T101-T105 VanDerWaalsContact O-N 3.13Å; T101-T105 PolarHBondContact O-OG1 2.99Å
102	F	98.6	Very high	97.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.1	-39	175.5	-61	-20.6	0	0	0	111.9	P53 F56 Y57 F81 V84 V98 I99 T105 A106	P53-F102 HydrophobicContact CB-CE2 4.32Å; P53-F102 HydrophobicContact CB-CZ 4.02Å; P53-F102 HydrophobicContact CG-CE2 4.29Å; P53-F102 HydrophobicContact CG-CZ 4.46Å; F56-F102 HydrophobicContact CB-CB 4.1Å; F56-F102 HydrophobicContact CB-CD1 3.31Å; F56-F102 HydrophobicContact CB-CD2 4.16Å; F56-F102 HydrophobicContact CB-CE1 3.63Å; F56-F102 HydrophobicContact CB-CE2 4.43Å; F56-F102 HydrophobicContact CB-CG 3.6Å; F56-F102 HydrophobicContact CB-CZ 4.2Å; F56-F102 HydrophobicContact CD1-CB 3.82Å; F56-F102 HydrophobicContact CD1-CG 4.28Å; F56-F102 HydrophobicContact CD2-CB 3.98Å; F56-F102 HydrophobicContact CD2-CD2 4.05Å; F56-F102 AromaticContact CD2-CG 3.96Å; F56-F102 HydrophobicContact CD2-CG 3.96Å; F56-F102 HydrophobicContact CE1-CB 4.22Å; F56-F102 HydrophobicContact CE2-CB 4.35Å; F56-F102 HydrophobicContact CG-CB 3.7Å; F56-F102 AromaticContact CG-CD1 3.92Å; F56-F102 HydrophobicContact CG-CD1 3.92Å; F56-F102 HydrophobicContact CG-CD2 4.22Å; F56-F102 AromaticContact CG-CG 3.7Å; F56-F102 HydrophobicContact CG-CG 3.7Å; F56-F102 HydrophobicContact CZ-CB 4.46Å; Y57-F102 AromaticContact CD1-CE1 3.91Å; Y57-F102 HydrophobicContact CD1-CE1 3.91Å; Y57-F102 HydrophobicContact CD2-CE1 4.02Å; Y57-F102 HydrophobicContact CD2-CZ 4.01Å; Y57-F102 AromaticContact CE1-CE1 3.69Å; Y57-F102 HydrophobicContact CE1-CE1 3.69Å; Y57-F102 HydrophobicContact CE1-CZ 4.28Å; Y57-F102 AromaticContact CE2-CE1 3.8Å; Y57-F102 HydrophobicContact CE2-CE1 3.8Å; Y57-F102 AromaticContact CE2-CZ 3.58Å; Y57-F102 HydrophobicContact CE2-CZ 3.58Å; Y57-F102 HydrophobicContact CG-CE1 4.07Å; Y57-F102 AromaticContact CZ-CE1 3.63Å; Y57-F102 AromaticContact CZ-CZ 3.73Å; F81-F102 HydrophobicContact CD1-CB 3.96Å; F81-F102 AromaticContact CD1-CD2 3.94Å; F81-F102 HydrophobicContact CD1-CD2 3.94Å; F81-F102 HydrophobicContact CD1-CG 4.45Å; F81-F102 HydrophobicContact CE1-CB 3.66Å; F81-F102 HydrophobicContact CE1-CD2 4.49Å; V84-F102 HydrophobicContact CG2-CE2 4.24Å; V98-F102 HydrophobicContact CB-CE2 4.24Å; V98-F102 HydrophobicContact CB-CZ 4.23Å; V98-F102 HydrophobicContact CG2-CD2 4.45Å; V98-F102 HydrophobicContact CG2-CE2 3.79Å; V98-F102 HydrophobicContact CG2-CZ 4.14Å; V98-F102 WeakPolarHBondContact O-CG 3.49Å; V98-F102 PolarHBondContact O-N 3.34Å; V98-F102 VanDerWaalsContact O-N 3.12Å; I99-F102 PolarHBondContact O-N 3.41Å; I99-F102 VanDerWaalsContact O-N 3.16Å; F102-T105 CarbonylContact O-C 3.51Å; F102-T105 WeakPolarHBondContact O-CA 3.44Å; F102-T105 WeakPolarHBondContact O-CB 3.46Å; F102-T105 PolarHBondContact O-N 3.02Å; F102-T105 VanDerWaalsContact O-N 3.09Å; F102-A106 PolarHBondContact O-N 2.88Å
103	T	98.4	Very high	97.6	Very high	33 Å²	33	53.4 Å²	53.4	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-59.8	-48.5	174.3	-58	0	0	0	0	111	I99 T105 A106 Q107 F462	I99-T103 WeakPolarHBondContact O-CB 3.37Å; I99-T103 PolarHBondContact O-N 3.4Å; I99-T103 PolarHBondContact O-OG1 3.04Å; T103-T105 PolarHBondContact O-N 2.64Å; T103-A106 PolarHBondContact O-N 3.35Å; T103-A106 VanDerWaalsContact O-N 3.15Å; T103-Q107 WeakPolarHBondContact O-CB 3.45Å; T103-Q107 WeakPolarHBondContact O-CG 3.3Å; T103-Q107 PolarHBondContact O-N 2.79Å; T103-F462 HydrophobicContact CG2-CE1 3.93Å; T103-F462 HydrophobicContact CG2-CZ 3.93Å
104	Q	97.9	Very high	97.7	Very high	132 Å²	132	51 Å²	51	62%	0.617	28%	0.28	S	S	*	.	H	α-helix	trans	-58.5	-35.1	173.6	-71.2	173.1	9.6	0	0	112.9	N100 H108	N100-Q104 WeakPolarHBondContact O-CG 3.5Å; N100-Q104 PolarHBondContact O-N 3.06Å; N100-Q104 VanDerWaalsContact O-N 3.13Å; Q104-H108 PolarHBondContact O-N 2.91Å
105	T	98.2	Very high	97.8	Very high	8 Å²	8	46.9 Å²	46.9	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-70.7	-43.1	177.4	-56	0	0	0	0	110.9	A59 Q60 T101 F102 T103 Q107 H108 C111	A59-T105 HydrophobicContact CB-CG2 4.01Å; Q60-T105 HydrophobicContact CB-CG2 4Å; T101-T105 PolarHBondContact O-N 2.82Å; T101-T105 VanDerWaalsContact O-N 3.13Å; T101-T105 PolarHBondContact O-OG1 2.99Å; F102-T105 CarbonylContact O-C 3.51Å; F102-T105 WeakPolarHBondContact O-CA 3.44Å; F102-T105 WeakPolarHBondContact O-CB 3.46Å; F102-T105 PolarHBondContact O-N 3.02Å; F102-T105 VanDerWaalsContact O-N 3.09Å; T103-T105 PolarHBondContact O-N 2.64Å; T105-Q107 VanDerWaalsContact C-N 3.32Å; T105-Q107 PolarHBondContact O-N 2.84Å; T105-H108 WeakPolarHBondContact O-CB 3.14Å; T105-H108 PolarHBondContact O-N 3Å; T105-C111 WeakPolarHBondContact O-CB 3.1Å
106	A	97.7	Very high	98	Very high	8 Å²	8	46 Å²	46	7%	0.066	26%	0.255	C	S	.	.	H	α-helix	trans	-66.2	-32.9	178.3	0	0	0	0	0	113.1	F56 F102 T103 H108 F462	F56-A106 HydrophobicContact CE1-CB 3.99Å; F102-A106 PolarHBondContact O-N 2.88Å; T103-A106 PolarHBondContact O-N 3.35Å; T103-A106 VanDerWaalsContact O-N 3.15Å; A106-H108 VanDerWaalsContact C-N 3.26Å; A106-H108 PolarHBondContact O-N 3.29Å; A106-F462 HydrophobicContact CB-CB 4.47Å; A106-F462 HydrophobicContact CB-CD1 3.83Å; A106-F462 HydrophobicContact CB-CD2 3.39Å; A106-F462 HydrophobicContact CB-CE1 3.84Å; A106-F462 HydrophobicContact CB-CE2 3.38Å; A106-F462 HydrophobicContact CB-CG 3.61Å; A106-F462 HydrophobicContact CB-CZ 3.62Å
107	Q	97.1	Very high	98	Very high	114 Å²	114	45.2 Å²	45.2	53%	0.533	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.5	176.6	-69.8	173.3	-18.7	0	0	113.1	T103 T105 A109 F462 E466	T103-Q107 WeakPolarHBondContact O-CB 3.45Å; T103-Q107 WeakPolarHBondContact O-CG 3.3Å; T103-Q107 PolarHBondContact O-N 2.79Å; T105-Q107 VanDerWaalsContact C-N 3.32Å; T105-Q107 PolarHBondContact O-N 2.84Å; Q107-A109 PolarHBondContact O-N 2.95Å; Q107-F462 HydrophobicContact CG-CD1 4.24Å; Q107-F462 HydrophobicContact CG-CE1 4.07Å; Q107-E466 PolarHBondContact NE2-OE1 2.79Å
108	H	97.7	Very high	98	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.315	25%	0.248	S	C	.	.	S	Bend	trans	-66	132.8	177.4	-170.7	-75.1	0	0	0	110	Q104 T105 A106 R110 C111	Q104-H108 PolarHBondContact O-N 2.91Å; T105-H108 WeakPolarHBondContact O-CB 3.14Å; T105-H108 PolarHBondContact O-N 3Å; A106-H108 VanDerWaalsContact C-N 3.26Å; A106-H108 PolarHBondContact O-N 3.29Å; H108-R110 PolarHBondContact CE1-NE 3.46Å; H108-R110 PolarHBondContact ND1-N 3.5Å; H108-R110 PolarHBondContact O-N 2.88Å; H108-C111 HydrophobicContact CB-CB 4.28Å; H108-C111 PolarHBondContact O-N 2.93Å
109	A	96.8	Very high	98.1	Very high	108 Å²	108	45.5 Å²	45.5	89%	0.893	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-4.8	-175.1	0	0	0	0	0	116.6	Q107	Q107-A109 PolarHBondContact O-N 2.95Å
110	R	97.4	Very high	98.1	Very high	51 Å²	51	45.4 Å²	45.4	19%	0.192	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	9.5	177.7	-63.8	-175	-72.1	124.8	-2.6	112.2	V63 R66 T67 V69 V71 H108	V63-R110 PolarHBondContact O-NH2 2.93Å; R66-R110 VanDerWaalsContact O-CZ 3.28Å; R66-R110 PolarHBondContact O-NH1 2.94Å; R66-R110 PolarHBondContact O-NH2 3.23Å; R66-R110 VanDerWaalsContact O-NH2 3.08Å; T67-R110 WeakPolarHBondContact O-CD 3.31Å; T67-R110 PolarHBondContact O-NH1 3.07Å; V69-R110 PolarHBondContact O-NH1 3.2Å; V71-R110 PolarHBondContact N-O 2.86Å; H108-R110 PolarHBondContact CE1-NE 3.46Å; H108-R110 PolarHBondContact ND1-N 3.5Å; H108-R110 PolarHBondContact O-N 2.88Å
111	C	98.3	Very high	98	Very high	12 Å²	12	47.8 Å²	47.8	8%	0.081	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.6	176.1	-166.6	0	0	0	0	108.7	V71 T105 H108	V71-C111 CarbonylContact O-C 3.48Å; V71-C111 VanDerWaalsContact O-CA 3.22Å; V71-C111 WeakPolarHBondContact O-CA 3.42Å; T105-C111 WeakPolarHBondContact O-CB 3.1Å; H108-C111 HydrophobicContact CB-CB 4.28Å; H108-C111 PolarHBondContact O-N 2.93Å
112	S	98.3	Very high	98.1	Very high	48 Å²	48	46.3 Å²	46.3	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	148.5	172	-33.8	0	0	0	0	109.5	V71 D72 I73	V71-S112 PolarHBondContact O-N 2.87Å; D72-S112 WeakPolarHBondContact CA-O 3.33Å; D72-S112 WeakPolarHBondContact OD1-CB 3.15Å; D72-S112 PolarHBondContact OD1-OG 3.44Å; I73-S112 PolarHBondContact N-O 2.59Å
113	F	98.8	Very high	98.1	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	173.1	178.4	-104.5	0	0	0	109.9	I73 E75 P80 V460 S461 F462	I73-F113 HydrophobicContact CB-CD2 4.26Å; I73-F113 HydrophobicContact CG2-CD2 4.17Å; I73-F113 CarbonylContact O-C 3.58Å; I73-F113 WeakPolarHBondContact O-CA 3.32Å; E75-F113 HydrophobicContact CB-CE2 3.54Å; E75-F113 HydrophobicContact CB-CZ 3.67Å; E75-F113 HydrophobicContact CG-CE2 4.27Å; E75-F113 HydrophobicContact CG-CZ 4.09Å; P80-F113 HydrophobicContact CB-CE1 4.5Å; P80-F113 HydrophobicContact CB-CE2 3.78Å; P80-F113 HydrophobicContact CB-CZ 3.77Å; P80-F113 HydrophobicContact CG-CZ 4.39Å; F113-V460 WeakPolarHBondContact CD1-O 3.33Å; F113-S461 WeakPolarHBondContact O-CA 3.03Å; F113-F462 HydrophobicContact CB-CB 3.89Å; F113-F462 HydrophobicContact CB-CD2 4.2Å; F113-F462 HydrophobicContact CD1-CD2 4.41Å; F113-F462 HydrophobicContact CG-CD2 4.3Å
114	H	98.7	Very high	98.1	Very high	24 Å²	24	46.9 Å²	46.9	11%	0.111	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	79.6	179.2	-56.6	-85.6	0	0	0	108.7	D72 I73 Y74 E75 V117 P459	D72-H114 IonicContact OD1-NE2 2.75Å; I73-H114 PolarHBondContact O-N 2.76Å; Y74-H114 WeakPolarHBondContact CA-O 3.41Å; Y74-H114 HydrophobicContact CD1-CB 3.68Å; Y74-H114 HydrophobicContact CE1-CB 3.78Å; Y74-H114 AromaticContact CE1-CG 3.98Å; Y74-H114 HydrophobicContact CG-CB 4.26Å; E75-H114 PolarHBondContact N-O 3.44Å; H114-V117 HydrophobicContact CB-CG2 4.47Å; H114-P459 HydrophobicContact CB-CB 4.37Å
115	G	98.7	Very high	98.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-72.4	169.2	172.3	0	0	0	0	0	112.2	E75 L77 V117 P459 V460	E75-G115 CarbonylContact O-C 3.54Å; E75-G115 VanDerWaalsContact O-C 3.24Å; E75-G115 VanDerWaalsContact O-CA 3.3Å; E75-G115 WeakPolarHBondContact O-CA 3.47Å; L77-G115 CarbonylContact O-C 3.49Å; L77-G115 WeakPolarHBondContact O-CA 3.36Å; G115-V117 PolarHBondContact O-N 3.39Å; G115-P459 CarbonylContact O-C 3.52Å; G115-P459 VanDerWaalsContact O-CA 3.25Å; G115-P459 WeakPolarHBondContact O-CA 3.28Å; G115-V460 PolarHBondContact N-O 2.86Å; G115-V460 PolarHBondContact O-N 2.72Å
116	N	98.6	Very high	98.1	Very high	29 Å²	29	43.8 Å²	43.8	16%	0.155	24%	0.235	C	C	.	.	S	Bend	trans	57.8	32.5	-176.8	-168.8	51.3	0	0	0	113.9	E75 R76 L77 P78 K458 V460 L493	E75-N116 PolarHBondContact O-N 2.96Å; R76-N116 WeakPolarHBondContact O-CA 3.24Å; L77-N116 PolarHBondContact O-N 3.34Å; P78-N116 HydrophobicContact CG-CB 4.37Å; N116-K458 PolarHBondContact ND2-O 3.42Å; N116-V460 HydrophobicContact CB-CG2 3.85Å; N116-L493 HydrophobicContact CB-CD2 4.19Å
117	V	98.7	Very high	98.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	24%	0.239	C	C	.	.			trans	-125.4	111.5	176.7	-177.3	0	0	0	0	110.3	Y74 E75 R76 H114 G115 V119 D122 V123 L452 V457 P459	Y74-V117 HydrophobicContact CD1-CB 4.02Å; Y74-V117 HydrophobicContact CD1-CG1 3.79Å; Y74-V117 HydrophobicContact CD1-CG2 4.34Å; Y74-V117 HydrophobicContact CE1-CG1 4.37Å; E75-V117 CarbonylContact C-O 3.56Å; E75-V117 PolarHBondContact O-N 3.32Å; R76-V117 VanDerWaalsContact CA-O 3.31Å; R76-V117 WeakPolarHBondContact CA-O 3.29Å; R76-V117 PolarHBondContact N-O 2.89Å; H114-V117 HydrophobicContact CB-CG2 4.47Å; G115-V117 PolarHBondContact O-N 3.39Å; V117-V119 PolarHBondContact O-N 3.37Å; V117-D122 HydrophobicContact CG1-CB 4.41Å; V117-V123 HydrophobicContact CG1-CG1 3.9Å; V117-L452 HydrophobicContact CG1-CD1 4.03Å; V117-L452 HydrophobicContact CG1-CD2 3.97Å; V117-L452 HydrophobicContact CG2-CD1 3.82Å; V117-V457 HydrophobicContact CG2-CG1 4.37Å; V117-P459 HydrophobicContact CG2-CB 4.01Å; V117-P459 HydrophobicContact CG2-CG 3.96Å
118	R	98.1	Very high	98.2	Very high	117 Å²	117	39.7 Å²	39.7	44%	0.442	21%	0.214	S	C	.	.			trans	-88.8	96.9	177.1	-70.8	175	-76.2	-155	-6.1	111.1	R76 G120 K121 D122	R76-R118 HydrophobicContact CB-CB 4.42Å; R76-R118 HydrophobicContact CB-CG 3.54Å; R118-G120 PolarHBondContact O-N 3.49Å; R118-K121 HydrophobicContact CB-CB 4.12Å; R118-K121 PolarHBondContact O-N 3.46Å; R118-D122 VanDerWaalsContact CB-OD2 3.27Å; R118-D122 WeakPolarHBondContact CB-OD2 3.34Å; R118-D122 PolarHBondContact N-OD2 2.93Å; R118-D122 IonicContact NE-OD2 3.64Å; R118-D122 WeakPolarHBondContact O-CB 3.45Å; R118-D122 PolarHBondContact O-N 3.2Å
119	V	98.6	Very high	98.2	Very high	19 Å²	19	38.7 Å²	38.7	12%	0.115	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-59.8	136.2	169.7	-177	0	0	0	0	110.4	V49 V117 K121 V123 V125 L128 I373	V49-V119 HydrophobicContact CB-CG2 4.48Å; V49-V119 HydrophobicContact CG1-CB 3.73Å; V49-V119 HydrophobicContact CG1-CG1 4.08Å; V49-V119 HydrophobicContact CG1-CG2 3.69Å; V49-V119 HydrophobicContact CG2-CG1 4.23Å; V49-V119 HydrophobicContact CG2-CG2 4.07Å; V117-V119 PolarHBondContact O-N 3.37Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-V123 CarbonylContact C-O 3.56Å; V119-V123 WeakPolarHBondContact CA-O 3.29Å; V119-V123 HydrophobicContact CG2-CG1 4.01Å; V119-V125 HydrophobicContact CG1-CG2 3.9Å; V119-L128 HydrophobicContact CB-CD1 4.44Å; V119-L128 HydrophobicContact CG1-CD1 3.61Å; V119-L128 HydrophobicContact CG2-CD1 3.92Å; V119-I373 HydrophobicContact CG1-CD1 4.33Å
120	G	97.4	Very high	98.2	Very high	28 Å²	28	40.2 Å²	40.2	29%	0.289	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	-5.8	-170.1	0	0	0	0	0	114.7	R118 V123 I373	R118-G120 PolarHBondContact O-N 3.49Å; G120-V123 PolarHBondContact N-O 3.43Å; G120-I373 VanDerWaalsContact CA-O 3.29Å; G120-I373 WeakPolarHBondContact CA-O 3.39Å
121	K	97.4	Very high	98.2	Very high	147 Å²	147	38.1 Å²	38.1	64%	0.639	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.3	-56.7	176.7	-177.9	176.4	179.9	173.1	0	112.5	R118 V119	R118-K121 HydrophobicContact CB-CB 4.12Å; R118-K121 PolarHBondContact O-N 3.46Å; V119-K121 VanDerWaalsContact C-N 3.35Å
122	D	98.3	Very high	98.2	Very high	18 Å²	18	37.6 Å²	37.6	10%	0.096	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-31.8	-177.3	-60.3	-22.7	0	0	0	110.9	V117 R118 L452 R455 V457	V117-D122 HydrophobicContact CG1-CB 4.41Å; R118-D122 VanDerWaalsContact CB-OD2 3.27Å; R118-D122 WeakPolarHBondContact CB-OD2 3.34Å; R118-D122 PolarHBondContact N-OD2 2.93Å; R118-D122 IonicContact NE-OD2 3.64Å; R118-D122 WeakPolarHBondContact O-CB 3.45Å; R118-D122 PolarHBondContact O-N 3.2Å; D122-L452 HydrophobicContact CB-CD2 4.24Å; D122-R455 WeakPolarHBondContact O-CD 3.33Å; D122-R455 PolarHBondContact O-NH1 3.03Å; D122-V457 HydrophobicContact CB-CG1 4.33Å; D122-V457 HydrophobicContact CB-CG2 3.97Å
123	V	98.5	Very high	98.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-146.6	136.4	172.7	60.9	0	0	0	0	108.9	V117 V119 G120 E127 L128 V448 L452	V117-V123 HydrophobicContact CG1-CG1 3.9Å; V119-V123 CarbonylContact C-O 3.56Å; V119-V123 WeakPolarHBondContact CA-O 3.29Å; V119-V123 HydrophobicContact CG2-CG1 4.01Å; G120-V123 PolarHBondContact N-O 3.43Å; V123-E127 WeakPolarHBondContact CA-OE2 3.46Å; V123-E127 HydrophobicContact CG2-CB 3.83Å; V123-E127 WeakPolarHBondContact CG2-OE2 3.38Å; V123-L128 HydrophobicContact CG1-CD2 4.28Å; V123-L128 HydrophobicContact CG1-CG 4.48Å; V123-L128 HydrophobicContact CG2-CD2 3.96Å; V123-L128 HydrophobicContact CG2-CG 4.1Å; V123-V448 HydrophobicContact CG2-CG1 4.14Å; V123-L452 HydrophobicContact CB-CD2 4.22Å
124	T	98.6	Very high	98.2	Very high	44 Å²	44	35.7 Å²	35.7	27%	0.27	17%	0.174	S	C	.	.			trans	-84	165	-179.5	83	0	0	0	0	111.7	E126 E127 L128 D374	T124-E126 VanDerWaalsContact C-N 3.32Å; T124-E126 WeakPolarHBondContact CB-OE2 3.4Å; T124-E126 PolarHBondContact OG1-N 2.62Å; T124-E126 PolarHBondContact OG1-OE2 3.18Å; T124-E127 PolarHBondContact N-OE2 2.8Å; T124-E127 PolarHBondContact O-N 2.74Å; T124-E127 WeakPolarHBondContact OG1-CG 3.43Å; T124-E127 PolarHBondContact OG1-N 3.38Å; T124-L128 WeakPolarHBondContact O-CG 3.18Å; T124-L128 PolarHBondContact O-N 2.89Å; T124-D374 WeakPolarHBondContact CA-OD2 3.42Å; T124-D374 WeakPolarHBondContact CB-OD2 3.44Å
125	V	98.3	Very high	98.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-35.6	176.8	172.6	0	0	0	0	111.4	V119 L128 Q129 L137 D374 V377 L399	V119-V125 HydrophobicContact CG1-CG2 3.9Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 PolarHBondContact O-N 3.11Å; V125-Q129 HydrophobicContact CG1-CG 4.46Å; V125-Q129 WeakPolarHBondContact O-CG 3.35Å; V125-Q129 PolarHBondContact O-N 3.32Å; V125-L137 HydrophobicContact CG2-CD2 4.48Å; V125-D374 HydrophobicContact CB-CB 4.23Å; V125-D374 HydrophobicContact CG2-CB 3.62Å; V125-D374 PolarHBondContact N-OD2 2.95Å; V125-V377 HydrophobicContact CB-CG2 4.13Å; V125-V377 HydrophobicContact CG1-CG2 4Å; V125-V377 HydrophobicContact CG2-CG2 3.75Å; V125-L399 HydrophobicContact CG1-CD1 4.05Å; V125-L399 HydrophobicContact CG1-CD2 4.41Å
126	E	97.9	Very high	98.2	Very high	75 Å²	75	34.5 Å²	34.5	35%	0.35	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-42.8	176.7	-52.6	92.1	151	0	0	111.4	T124 L128 Q129 E130 A376	T124-E126 VanDerWaalsContact C-N 3.32Å; T124-E126 WeakPolarHBondContact CB-OE2 3.4Å; T124-E126 PolarHBondContact OG1-N 2.62Å; T124-E126 PolarHBondContact OG1-OE2 3.18Å; E126-L128 PolarHBondContact O-N 3.46Å; E126-Q129 CarbonylContact O-C 3.52Å; E126-Q129 WeakPolarHBondContact O-CA 3.41Å; E126-Q129 PolarHBondContact O-N 3.3Å; E126-E130 WeakPolarHBondContact O-CG 3.38Å; E126-E130 PolarHBondContact O-N 2.84Å; E126-A376 HydrophobicContact CG-CB 3.8Å; E126-A376 WeakPolarHBondContact OE1-CB 3.27Å
127	E	98.3	Very high	98.2	Very high	36 Å²	36	33.1 Å²	33.1	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-59.4	-36.3	174.9	-69.5	174.9	150.3	0	0	111.7	V123 T124 A131 L451 R455	V123-E127 WeakPolarHBondContact CA-OE2 3.46Å; V123-E127 HydrophobicContact CG2-CB 3.83Å; V123-E127 WeakPolarHBondContact CG2-OE2 3.38Å; T124-E127 PolarHBondContact N-OE2 2.8Å; T124-E127 PolarHBondContact O-N 2.74Å; T124-E127 WeakPolarHBondContact OG1-CG 3.43Å; T124-E127 PolarHBondContact OG1-N 3.38Å; E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 2.96Å; E127-L451 HydrophobicContact CB-CD1 4.28Å; E127-L451 HydrophobicContact CG-CD1 4.4Å; E127-R455 IonicContact OE1-CZ 3.47Å; E127-R455 IonicContact OE1-NH1 3.47Å; E127-R455 PolarHBondContact OE1-NH1 2.88Å; E127-R455 IonicContact OE1-NH2 2.63Å; E127-R455 PolarHBondContact OE1-NH2 2.91Å; E127-R455 IonicContact OE2-CZ 3.55Å; E127-R455 IonicContact OE2-NH1 2.75Å; E127-R455 PolarHBondContact OE2-NH1 2.82Å; E127-R455 IonicContact OE2-NH2 3.45Å; E127-R455 PolarHBondContact OE2-NH2 2.9Å
128	L	98.5	Very high	98.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.6	-39.6	172.6	-62.9	174.7	0	0	0	111.8	V49 Y74 V119 V123 T124 V125 E126 E130 A131 Y132 V135 V448	V49-L128 HydrophobicContact CG2-CD1 3.92Å; Y74-L128 HydrophobicContact CE2-CD2 4.34Å; V119-L128 HydrophobicContact CB-CD1 4.44Å; V119-L128 HydrophobicContact CG1-CD1 3.61Å; V119-L128 HydrophobicContact CG2-CD1 3.92Å; V123-L128 HydrophobicContact CG1-CD2 4.28Å; V123-L128 HydrophobicContact CG1-CG 4.48Å; V123-L128 HydrophobicContact CG2-CD2 3.96Å; V123-L128 HydrophobicContact CG2-CG 4.1Å; T124-L128 WeakPolarHBondContact O-CG 3.18Å; T124-L128 PolarHBondContact O-N 2.89Å; V125-L128 WeakPolarHBondContact O-CB 3.29Å; V125-L128 PolarHBondContact O-N 3.11Å; E126-L128 PolarHBondContact O-N 3.46Å; L128-E130 VanDerWaalsContact C-N 3.3Å; L128-E130 PolarHBondContact O-N 3.46Å; L128-A131 PolarHBondContact O-N 3.17Å; L128-Y132 HydrophobicContact CD2-CD2 4.42Å; L128-Y132 HydrophobicContact CD2-CE2 4.08Å; L128-Y132 WeakPolarHBondContact O-CB 3.37Å; L128-Y132 VanDerWaalsContact O-CD2 3.29Å; L128-Y132 WeakPolarHBondContact O-CD2 3.36Å; L128-Y132 PolarHBondContact O-N 3.39Å; L128-V135 HydrophobicContact CB-CG2 3.84Å; L128-V448 HydrophobicContact CD2-CG1 4.4Å; L128-V448 HydrophobicContact CD2-CG2 3.91Å
129	Q	97.6	Very high	98.3	Very high	48 Å²	48	29.9 Å²	29.9	22%	0.224	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-31	176.2	-69.8	-177.1	-86.6	0	0	112.6	V125 E126 V135 T396 A397 K442	V125-Q129 HydrophobicContact CG1-CG 4.46Å; V125-Q129 WeakPolarHBondContact O-CG 3.35Å; V125-Q129 PolarHBondContact O-N 3.32Å; E126-Q129 CarbonylContact O-C 3.52Å; E126-Q129 WeakPolarHBondContact O-CA 3.41Å; E126-Q129 PolarHBondContact O-N 3.3Å; Q129-V135 HydrophobicContact CG-CG2 3.91Å; Q129-T396 VanDerWaalsContact NE2-CG2 3.3Å; Q129-A397 PolarHBondContact NE2-O 3.31Å; Q129-K442 PolarHBondContact O-NZ 3.33Å
130	E	97.1	Very high	98.2	Very high	140 Å²	140	29.8 Å²	29.8	65%	0.654	15%	0.153	S	C	*	.	H	α-helix	trans	-68	-43.2	171.1	-72.9	179.3	-175.8	0	0	111.1	E126 L128 K442	E126-E130 WeakPolarHBondContact O-CG 3.38Å; E126-E130 PolarHBondContact O-N 2.84Å; L128-E130 VanDerWaalsContact C-N 3.3Å; L128-E130 PolarHBondContact O-N 3.46Å; E130-K442 WeakPolarHBondContact O-CD 3.32Å; E130-K442 PolarHBondContact O-NZ 2.97Å
131	A	98.1	Very high	98.1	Very high	6 Å²	6	28.9 Å²	28.9	5%	0.05	14%	0.142	C	C	.	.	H	α-helix	trans	-78.7	-24.6	-176.3	0	0	0	0	0	114.7	E127 L128 K442 P443 G444 V448	E127-A131 WeakPolarHBondContact O-CB 3.49Å; E127-A131 PolarHBondContact O-N 2.96Å; L128-A131 PolarHBondContact O-N 3.17Å; A131-K442 WeakPolarHBondContact O-CB 3.45Å; A131-P443 HydrophobicContact CB-CG 4.25Å; A131-P443 WeakPolarHBondContact O-CD 3.37Å; A131-G444 VanDerWaalsContact O-CA 3.24Å; A131-G444 WeakPolarHBondContact O-CA 3.2Å; A131-G444 PolarHBondContact O-N 2.75Å; A131-V448 HydrophobicContact CB-CG2 3.69Å
132	Y	98.5	Very high	97.8	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.125	C	C	.	.			trans	-121.1	164.4	-174.8	-67.6	-91.4	0	0	0	112.5	K45 C47 D72 Y74 L128 K442 S445 V448	K45-Y132 HydrophobicContact CB-CD1 3.87Å; K45-Y132 HydrophobicContact CB-CE1 4.42Å; C47-Y132 HydrophobicContact CB-CD1 3.74Å; C47-Y132 HydrophobicContact CB-CD2 3.51Å; C47-Y132 HydrophobicContact CB-CE1 3.96Å; C47-Y132 HydrophobicContact CB-CE2 3.73Å; C47-Y132 HydrophobicContact CB-CG 3.52Å; D72-Y132 HydrophobicContact CB-CE1 4.01Å; D72-Y132 WeakPolarHBondContact CB-OH 3.43Å; D72-Y132 WeakPolarHBondContact OD2-CE1 3.38Å; D72-Y132 VanDerWaalsContact OD2-CZ 3.31Å; D72-Y132 PolarHBondContact OD2-OH 3.48Å; Y74-Y132 HydrophobicContact CE2-CE2 4.2Å; Y74-Y132 WeakPolarHBondContact CE2-OH 3.4Å; Y74-Y132 PolarHBondContact OH-OH 3.29Å; L128-Y132 HydrophobicContact CD2-CD2 4.42Å; L128-Y132 HydrophobicContact CD2-CE2 4.08Å; L128-Y132 WeakPolarHBondContact O-CB 3.37Å; L128-Y132 VanDerWaalsContact O-CD2 3.29Å; L128-Y132 WeakPolarHBondContact O-CD2 3.36Å; L128-Y132 PolarHBondContact O-N 3.39Å; Y132-K442 WeakPolarHBondContact O-CD 3.38Å; Y132-K442 WeakPolarHBondContact O-CE 3.35Å; Y132-K442 PolarHBondContact O-NZ 3.46Å; Y132-S445 VanDerWaalsContact OH-CA 3.23Å; Y132-S445 WeakPolarHBondContact OH-CA 3.24Å; Y132-S445 PolarHBondContact OH-N 3.15Å; Y132-V448 HydrophobicContact CE2-CG2 3.8Å
133	H	98.3	Very high	97.5	Very high	14 Å²	14	24.2 Å²	24.2	7%	0.065	12%	0.124	C	C	.	.	S	Bend	trans	-80.2	-37.5	171.3	-54.5	95.1	0	0	0	110.8	K45 L436 D437 V438 T440 K442	K45-H133 PolarHBondContact N-CE1 2.9Å; K45-H133 PolarHBondContact N-ND1 2.8Å; K45-H133 PolarHBondContact O-N 3.06Å; K45-H133 PolarHBondContact O-ND1 3.41Å; H133-L436 HydrophobicContact CB-CD2 4.23Å; H133-L436 WeakPolarHBondContact O-CD1 3.44Å; H133-D437 PolarHBondContact CD2-O 2.85Å; H133-V438 HydrophobicContact CB-CG1 4.15Å; H133-T440 PolarHBondContact NE2-O 3.1Å; H133-K442 VanDerWaalsContact CD2-CG 3.44Å; H133-K442 WeakPolarHBondContact CD2-CG 3.11Å; H133-K442 WeakPolarHBondContact NE2-CG 3.42Å
134	A	98.4	Very high	97.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.5	174.6	0	0	0	0	0	111.6	V46 C47 G398 Y400 L427 L436	V46-A134 WeakPolarHBondContact CA-O 3.47Å; V46-A134 HydrophobicContact CG1-CB 4.33Å; V46-A134 HydrophobicContact CG2-CB 4.37Å; C47-A134 PolarHBondContact N-O 3.45Å; A134-G398 CarbonylContact C-O 2.92Å; A134-G398 VanDerWaalsContact CA-O 3.25Å; A134-G398 WeakPolarHBondContact CA-O 3.48Å; A134-Y400 HydrophobicContact CB-CD2 4.13Å; A134-Y400 HydrophobicContact CB-CE2 3.9Å; A134-L427 HydrophobicContact CB-CD1 3.82Å; A134-L427 HydrophobicContact CB-CG 4.25Å; A134-L436 HydrophobicContact CB-CD2 3.83Å
135	V	98.8	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.2	172.6	-179.3	0	0	0	0	108.3	C47 V49 L128 Q129 L137 G398 L399 Y400	C47-V135 HydrophobicContact CB-CG2 4.21Å; C47-V135 CarbonylContact O-C 3.58Å; C47-V135 WeakPolarHBondContact O-CA 3.21Å; V49-V135 HydrophobicContact CG2-CG1 4.05Å; L128-V135 HydrophobicContact CB-CG2 3.84Å; Q129-V135 HydrophobicContact CG-CG2 3.91Å; V135-L137 HydrophobicContact CG1-CD2 4.18Å; V135-G398 PolarHBondContact N-O 2.88Å; V135-L399 HydrophobicContact CB-CD1 3.71Å; V135-L399 HydrophobicContact CG1-CD1 3.81Å; V135-Y400 PolarHBondContact O-N 2.81Å
136	V	98.9	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.6	176.3	-168.3	0	0	0	0	109.9	V46 C47 I48 V49 T58 Y400 T423 L427	V46-V136 HydrophobicContact CG1-CG2 4.06Å; C47-V136 PolarHBondContact O-N 3.47Å; I48-V136 WeakPolarHBondContact CA-O 3.46Å; I48-V136 HydrophobicContact CG1-CB 4.25Å; I48-V136 HydrophobicContact CG1-CG2 4.41Å; V49-V136 PolarHBondContact N-O 2.75Å; T58-V136 HydrophobicContact CG2-CB 4.5Å; T58-V136 HydrophobicContact CG2-CG1 4.2Å; T58-V136 HydrophobicContact CG2-CG2 4.19Å; V136-Y400 CarbonylContact C-O 3.16Å; V136-Y400 WeakPolarHBondContact CA-O 3.46Å; V136-T423 HydrophobicContact CG1-CG2 4.11Å; V136-L427 HydrophobicContact CG2-CD1 3.82Å
137	L	98.9	Very high	96.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.7	176.6	-58.5	179.3	0	0	0	110.1	V49 V125 V135 Y139 I373 V377 I386 L399 Y400 C401 S402 V405	V49-L137 HydrophobicContact CB-CD2 3.95Å; V49-L137 HydrophobicContact CG1-CD2 4.45Å; V49-L137 HydrophobicContact CG2-CD2 3.86Å; V125-L137 HydrophobicContact CG2-CD2 4.48Å; V135-L137 HydrophobicContact CG1-CD2 4.18Å; L137-Y139 HydrophobicContact CB-CD1 4.16Å; L137-Y139 HydrophobicContact CB-CE1 3.98Å; L137-Y139 HydrophobicContact CD1-CE1 4.46Å; L137-Y139 HydrophobicContact CD2-CE1 4.48Å; L137-I373 HydrophobicContact CD2-CD1 4.38Å; L137-V377 HydrophobicContact CD1-CB 4.46Å; L137-V377 HydrophobicContact CD1-CG1 3.7Å; L137-V377 HydrophobicContact CD1-CG2 3.81Å; L137-I386 HydrophobicContact CB-CD1 3.82Å; L137-I386 HydrophobicContact CD1-CD1 3.45Å; L137-I386 VanDerWaalsContact CD1-CD1 3.45Å; L137-I386 HydrophobicContact CG-CD1 4.28Å; L137-L399 HydrophobicContact CD1-CD1 3.88Å; L137-L399 HydrophobicContact CD1-CD2 4Å; L137-L399 HydrophobicContact CD1-CG 4.13Å; L137-L399 HydrophobicContact CD2-CD1 4.31Å; L137-L399 HydrophobicContact CG-CD1 3.85Å; L137-L399 HydrophobicContact CG-CG 4.48Å; L137-Y400 PolarHBondContact N-O 2.78Å; L137-C401 HydrophobicContact CB-CB 4.25Å; L137-C401 CarbonylContact O-C 3.6Å; L137-C401 WeakPolarHBondContact O-CA 3.05Å; L137-C401 WeakPolarHBondContact O-CB 3.37Å; L137-S402 PolarHBondContact O-N 3.22Å; L137-V405 WeakPolarHBondContact O-CG1 3.34Å
138	S	98.7	Very high	96.2	Very high	4 Å²	4	34.1 Å²	34.1	3%	0.028	19%	0.189	C	C	.	.			trans	-137.5	24.3	-173.1	67.2	0	0	0	0	112.9	I48 V49 G50 G55 G140 S402	I48-S138 WeakPolarHBondContact CG2-OG 3.43Å; V49-S138 CarbonylContact O-C 3.24Å; V49-S138 VanDerWaalsContact O-CA 3.25Å; V49-S138 WeakPolarHBondContact O-CA 3.21Å; V49-S138 PolarHBondContact O-N 3.26Å; V49-S138 PolarHBondContact O-OG 2.98Å; G50-S138 PolarHBondContact O-OG 3.32Å; G55-S138 VanDerWaalsContact CA-OG 3.29Å; G55-S138 WeakPolarHBondContact CA-OG 2.89Å; G55-S138 PolarHBondContact N-OG 2.88Å; S138-G140 PolarHBondContact O-N 2.98Å; S138-G140 VanDerWaalsContact O-N 3.13Å; S138-S402 WeakPolarHBondContact CB-OG 3.22Å
139	Y	98.3	Very high	96.1	Very high	47 Å²	47	35.2 Å²	35.2	18%	0.184	20%	0.195	C	C	.	.			trans	-75.6	4.3	-172.9	59.8	-100.3	0	0	0	115	V49 L137 L371 I373 I386 V405	V49-Y139 PolarHBondContact O-N 3.04Å; V49-Y139 VanDerWaalsContact O-N 3.13Å; L137-Y139 HydrophobicContact CB-CD1 4.16Å; L137-Y139 HydrophobicContact CB-CE1 3.98Å; L137-Y139 HydrophobicContact CD1-CE1 4.46Å; L137-Y139 HydrophobicContact CD2-CE1 4.48Å; Y139-L371 WeakPolarHBondContact CE2-O 3.35Å; Y139-L371 PolarHBondContact OH-O 3.12Å; Y139-I373 HydrophobicContact CD1-CD1 3.57Å; Y139-I373 HydrophobicContact CD1-CG1 4.3Å; Y139-I373 HydrophobicContact CD1-CG2 4.39Å; Y139-I373 HydrophobicContact CD2-CG2 3.96Å; Y139-I373 HydrophobicContact CE1-CD1 3.46Å; Y139-I373 VanDerWaalsContact CE1-CD1 3.46Å; Y139-I373 HydrophobicContact CE1-CG1 3.75Å; Y139-I373 HydrophobicContact CE1-CG2 4.18Å; Y139-I373 HydrophobicContact CE2-CG2 3.75Å; Y139-I373 HydrophobicContact CG-CD1 4.35Å; Y139-I373 HydrophobicContact CG-CG2 4.27Å; Y139-I386 HydrophobicContact CE1-CD1 4.07Å; Y139-V405 HydrophobicContact CD1-CG2 4.45Å; Y139-V405 HydrophobicContact CD2-CG2 4.29Å; Y139-V405 HydrophobicContact CE1-CG2 3.79Å; Y139-V405 HydrophobicContact CE2-CB 4.25Å; Y139-V405 HydrophobicContact CE2-CG2 3.59Å; Y139-V405 WeakPolarHBondContact OH-CG2 3.29Å
140	G	97.3	Very high	96.1	Very high	17 Å²	17	36.8 Å²	36.8	18%	0.175	21%	0.21	C	C	.	.			trans	68.5	-151.6	173.8	0	0	0	0	0	114.2	S138 S370	S138-G140 PolarHBondContact O-N 2.98Å; S138-G140 VanDerWaalsContact O-N 3.13Å; G140-S370 PolarHBondContact O-OG 3.34Å
141	A	95.9	Very high	96.2	Very high	9 Å²	9	31.4 Å²	31.4	7%	0.074	19%	0.192	C	C	.	.			trans	-124.6	102.1	-178.1	0	0	0	0	0	111	K369 W404 P409	A141-K369 CarbonylContact C-O 3.58Å; A141-W404 HydrophobicContact CB-CB 4.3Å; A141-W404 HydrophobicContact CB-CE3 4.01Å; A141-P409 HydrophobicContact CB-CB 3.85Å; A141-P409 HydrophobicContact CB-CG 4.31Å
142	E	91.4	Very high	96.1	Very high	58 Å²	58	32.9 Å²	32.9	27%	0.271	20%	0.198	S	C	.	.			trans	-94.1	-26.1	-175.7	-166.1	178.1	-172	0	0	114.2	R76 K161 R172 K369 L371	R76-E142 VanDerWaalsContact CZ-CD 3.45Å; R76-E142 IonicContact CZ-OE1 3.33Å; R76-E142 IonicContact CZ-OE2 2.67Å; R76-E142 VanDerWaalsContact CZ-OE2 3.24Å; R76-E142 IonicContact NH1-OE1 3.15Å; R76-E142 PolarHBondContact NH1-OE1 2.94Å; R76-E142 IonicContact NH1-OE2 3.56Å; R76-E142 PolarHBondContact NH1-OE2 2.79Å; R76-E142 IonicContact NH2-OE1 2.62Å; R76-E142 PolarHBondContact NH2-OE1 3.26Å; R76-E142 IonicContact NH2-OE2 3.88Å; R76-E142 PolarHBondContact NH2-OE2 2.85Å; E142-K161 WeakPolarHBondContact O-CE 3.45Å; E142-K161 PolarHBondContact O-NZ 2.8Å; E142-R172 IonicContact OE1-CZ 2.76Å; E142-R172 IonicContact OE1-NH1 3.67Å; E142-R172 PolarHBondContact OE1-NH1 2.83Å; E142-K369 PolarHBondContact N-O 3.3Å; E142-L371 HydrophobicContact CB-CD1 4.2Å
143	G	90.9	Very high	96	Very high	8 Å²	8	40.7 Å²	40.7	8%	0.082	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	148.7	180	0	0	0	0	0	112.7	Y368 K369	G143-Y368 CarbonylContact O-C 3.56Å; G143-Y368 WeakPolarHBondContact O-CA 3.3Å; G143-K369 WeakPolarHBondContact CA-O 3.42Å; G143-K369 PolarHBondContact N-O 3.4Å; G143-K369 PolarHBondContact O-N 2.67Å
144	N	91.4	Very high	96	Very high	48 Å²	48	41.3 Å²	41.3	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	151.6	166.5	-63.8	-36.8	0	0	0	110.3	S159 K161 D162 K369	N144-S159 WeakPolarHBondContact ND2-CB 3.37Å; N144-S159 PolarHBondContact ND2-OG 2.73Å; N144-S159 VanDerWaalsContact ND2-OG 3.1Å; N144-S159 PolarHBondContact OD1-OG 2.76Å; N144-K161 WeakPolarHBondContact OD1-CB 3.46Å; N144-K161 WeakPolarHBondContact OD1-CD 3.44Å; N144-D162 PolarHBondContact ND2-OD2 2.86Å; N144-K369 VanDerWaalsContact O-CE 3.27Å; N144-K369 WeakPolarHBondContact O-CE 3.48Å
145	R	91.5	Very high	95.9	Very high	122 Å²	122	43.8 Å²	43.8	46%	0.46	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-87.6	130.9	162.5	-70.9	-178.6	170.3	-140.3	-8.3	108.5	I366 G367 Y368	R145-I366 HydrophobicContact CB-CD1 4.32Å; R145-I366 HydrophobicContact CB-CG1 4.01Å; R145-G367 WeakPolarHBondContact CB-O 3.33Å; R145-G367 WeakPolarHBondContact CG-O 3.45Å; R145-G367 PolarHBondContact N-O 2.81Å; R145-Y368 PolarHBondContact NE-O 3.29Å
146	T	91.5	Very high	95.8	Very high	103 Å²	103	44 Å²	44	63%	0.632	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-78.8	148.7	172.9	56.5	0	0	0	0	109.7	G148 E152	T146-G148 VanDerWaalsContact C-N 3.29Å; T146-E152 VanDerWaalsContact CA-OE1 3.3Å; T146-E152 WeakPolarHBondContact CA-OE1 3.42Å
147	M	94.3	Very high	95.8	Very high	26 Å²	26	45 Å²	45	13%	0.128	27%	0.272	C	S	.	.			trans	-67.9	-35.4	169.4	-59.5	-173.4	-76.7	0	0	110.4	V149 E152 V157 L188 V320 I366	M147-V149 HydrophobicContact CB-CG1 4.43Å; M147-V149 HydrophobicContact CB-CG2 3.82Å; M147-V149 HydrophobicContact CE-CG2 4.22Å; M147-V149 HydrophobicContact SD-CG2 4.39Å; M147-E152 HydrophobicContact CE-CB 3.78Å; M147-E152 HydrophobicContact CE-CG 3.51Å; M147-E152 VanDerWaalsContact N-CD 3.27Å; M147-E152 PolarHBondContact N-OE1 2.8Å; M147-E152 PolarHBondContact N-OE2 2.96Å; M147-E152 VanDerWaalsContact N-OE2 3.09Å; M147-V157 HydrophobicContact CE-CG1 3.64Å; M147-L188 HydrophobicContact CG-CD1 4.28Å; M147-L188 HydrophobicContact SD-CD1 3.13Å; M147-L188 WeakPolarHBondContact SD-CD1 3.49Å; M147-V320 HydrophobicContact CE-CG2 4.12Å; M147-I366 HydrophobicContact CG-CD1 4.24Å
148	G	95.4	Very high	95.7	Very high	65 Å²	65	46.8 Å²	46.8	67%	0.67	28%	0.279	S	S	*	.			trans	69.3	38.7	-178.4	0	0	0	0	0	112.2	T146 E152	T146-G148 VanDerWaalsContact C-N 3.29Å; G148-E152 PolarHBondContact N-OE2 2.84Å
149	V	97.4	Very high	95.7	Very high	22 Å²	22	47.5 Å²	47.5	13%	0.133	28%	0.284	C	S	.	.			trans	-123.2	152.5	-178.1	-61.5	0	0	0	0	110.8	M147 E152 P317 L318	M147-V149 HydrophobicContact CB-CG1 4.43Å; M147-V149 HydrophobicContact CB-CG2 3.82Å; M147-V149 HydrophobicContact CE-CG2 4.22Å; M147-V149 HydrophobicContact SD-CG2 4.39Å; V149-E152 HydrophobicContact CG2-CB 4.41Å; V149-E152 WeakPolarHBondContact O-CB 3.39Å; V149-E152 PolarHBondContact O-N 2.79Å; V149-P317 HydrophobicContact CG1-CB 4.5Å; V149-L318 WeakPolarHBondContact CB-O 3.29Å
150	P	98.2	Very high	95.6	Very high	82 Å²	82	45.3 Å²	45.3	53%	0.532	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	142.6	171.9	-22.8	34.4	0	0	0	111.7	E152 L318 E319 V320	P150-E152 VanDerWaalsContact C-N 3.33Å; P150-E152 PolarHBondContact O-N 2.82Å; P150-L318 WeakPolarHBondContact CD-O 3.44Å; P150-E319 HydrophobicContact CB-CG 4.23Å; P150-E319 WeakPolarHBondContact O-CA 3.3Å; P150-V320 PolarHBondContact O-N 3.14Å
151	G	97.1	Very high	95.5	Very high	27 Å²	27	45.4 Å²	45.4	28%	0.278	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	2.8	-179.8	0	0	0	0	0	115.5	D153 L154 V320	G151-D153 PolarHBondContact O-N 2.76Å; G151-D153 VanDerWaalsContact O-N 3.12Å; G151-L154 WeakPolarHBondContact O-CB 3.35Å; G151-L154 WeakPolarHBondContact O-CG 3.4Å; G151-L154 PolarHBondContact O-N 2.91Å; G151-L154 VanDerWaalsContact O-N 3.09Å; G151-V320 WeakPolarHBondContact O-CB 3.22Å
152	E	97.1	Very high	95.6	Very high	37 Å²	37	46.6 Å²	46.6	17%	0.173	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.7	178.1	175.9	164.3	-154.8	0	0	113.9	T146 M147 G148 V149 P150 V157	T146-E152 VanDerWaalsContact CA-OE1 3.3Å; T146-E152 WeakPolarHBondContact CA-OE1 3.42Å; M147-E152 HydrophobicContact CE-CB 3.78Å; M147-E152 HydrophobicContact CE-CG 3.51Å; M147-E152 VanDerWaalsContact N-CD 3.27Å; M147-E152 PolarHBondContact N-OE1 2.8Å; M147-E152 PolarHBondContact N-OE2 2.96Å; M147-E152 VanDerWaalsContact N-OE2 3.09Å; G148-E152 PolarHBondContact N-OE2 2.84Å; V149-E152 HydrophobicContact CG2-CB 4.41Å; V149-E152 WeakPolarHBondContact O-CB 3.39Å; V149-E152 PolarHBondContact O-N 2.79Å; P150-E152 VanDerWaalsContact C-N 3.33Å; P150-E152 PolarHBondContact O-N 2.82Å; E152-V157 WeakPolarHBondContact O-CB 3.47Å; E152-V157 VanDerWaalsContact O-CG1 3.28Å; E152-V157 WeakPolarHBondContact O-CG1 3.47Å
153	D	96	Very high	95.9	Very high	165 Å²	165	43.9 Å²	43.9	88%	0.882	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.3	179.3	-58.5	-53.4	0	0	0	113.9	G151	G151-D153 PolarHBondContact O-N 2.76Å; G151-D153 VanDerWaalsContact O-N 3.12Å
154	L	97.6	Very high	96.3	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.141	26%	0.262	C	S	.	.	S	Bend	trans	-64.4	149.2	177.9	-72.5	169.2	0	0	0	111.6	G151 G156 V157 V320 P322 L326	G151-L154 WeakPolarHBondContact O-CB 3.35Å; G151-L154 WeakPolarHBondContact O-CG 3.4Å; G151-L154 PolarHBondContact O-N 2.91Å; G151-L154 VanDerWaalsContact O-N 3.09Å; L154-G156 PolarHBondContact O-N 2.75Å; L154-V157 HydrophobicContact CB-CG2 4.16Å; L154-V157 WeakPolarHBondContact O-CB 3.32Å; L154-V157 WeakPolarHBondContact O-CG2 3.48Å; L154-V157 PolarHBondContact O-N 3.23Å; L154-V157 VanDerWaalsContact O-N 3.11Å; L154-V320 HydrophobicContact CD1-CB 4.33Å; L154-V320 HydrophobicContact CD1-CG1 3.96Å; L154-P322 HydrophobicContact CD1-CB 3.96Å; L154-P322 HydrophobicContact CD2-CB 4.31Å; L154-L326 WeakPolarHBondContact CD2-O 3.3Å
155	A	97.2	Very high	96.6	Very high	52 Å²	52	41.6 Å²	41.6	43%	0.43	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-59.8	139.4	170.1	0	0	0	0	0	110.2	I327 R328 A329	A155-I327 WeakPolarHBondContact CB-O 3.49Å; A155-I327 PolarHBondContact N-O 2.67Å; A155-I327 VanDerWaalsContact N-O 3.07Å; A155-R328 HydrophobicContact CB-CB 4.15Å; A155-R328 CarbonylContact O-C 3.26Å; A155-R328 VanDerWaalsContact O-CA 3.24Å; A155-R328 WeakPolarHBondContact O-CA 3.45Å; A155-A329 PolarHBondContact O-N 3.21Å
156	G	96.9	Very high	96.9	Very high	4 Å²	4	36 Å²	36	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	-4.2	-171.3	0	0	0	0	0	114.2	L154 L361 V362	L154-G156 PolarHBondContact O-N 2.75Å; G156-L361 WeakPolarHBondContact O-CA 3.34Å; G156-V362 PolarHBondContact O-N 2.9Å
157	V	98.3	Very high	97.3	Very high	21 Å²	21	31.1 Å²	31.1	13%	0.127	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.1	170.5	-170.7	0	0	0	0	110.2	M147 E152 L154 V320 A329 V362	M147-V157 HydrophobicContact CE-CG1 3.64Å; E152-V157 WeakPolarHBondContact O-CB 3.47Å; E152-V157 VanDerWaalsContact O-CG1 3.28Å; E152-V157 WeakPolarHBondContact O-CG1 3.47Å; L154-V157 HydrophobicContact CB-CG2 4.16Å; L154-V157 WeakPolarHBondContact O-CB 3.32Å; L154-V157 WeakPolarHBondContact O-CG2 3.48Å; L154-V157 PolarHBondContact O-N 3.23Å; L154-V157 VanDerWaalsContact O-N 3.11Å; V157-V320 HydrophobicContact CG2-CB 4.44Å; V157-V320 HydrophobicContact CG2-CG1 3.79Å; V157-V320 HydrophobicContact CG2-CG2 4.18Å; V157-A329 HydrophobicContact CG2-CB 4.29Å; V157-V362 CarbonylContact C-O 3.54Å; V157-V362 WeakPolarHBondContact CA-O 3.42Å; V157-V362 HydrophobicContact CG1-CB 4.44Å; V157-V362 HydrophobicContact CG1-CG1 4.49Å; V157-V362 HydrophobicContact CG2-CB 4.31Å
158	Y	97.8	Very high	97.5	Very high	39 Å²	39	29.9 Å²	29.9	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.5	-179.4	-55.9	-76	0	0	0	111.8	L176 P178 L361 V362 I363 S364	Y158-L176 HydrophobicContact CD1-CD1 3.82Å; Y158-L176 HydrophobicContact CD1-CD2 4.3Å; Y158-L176 HydrophobicContact CD1-CG 4.43Å; Y158-L176 HydrophobicContact CE1-CD1 3.7Å; Y158-L176 HydrophobicContact CE1-CG 4.33Å; Y158-P178 HydrophobicContact CE2-CB 3.95Å; Y158-P178 WeakPolarHBondContact OH-CA 3.18Å; Y158-L361 HydrophobicContact CD2-CD1 3.49Å; Y158-L361 VanDerWaalsContact CD2-CD1 3.49Å; Y158-L361 HydrophobicContact CE2-CD1 3.51Å; Y158-V362 PolarHBondContact N-O 3.14Å; Y158-I363 CarbonylContact O-C 3.58Å; Y158-I363 VanDerWaalsContact O-CA 3.29Å; Y158-I363 WeakPolarHBondContact O-CA 3.38Å; Y158-S364 PolarHBondContact O-N 2.86Å
159	S	97.4	Very high	97.6	Very high	19 Å²	19	26.8 Å²	26.8	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	145	161.4	86.4	0	0	0	0	109.5	N144 K161 D162 F163	N144-S159 WeakPolarHBondContact ND2-CB 3.37Å; N144-S159 PolarHBondContact ND2-OG 2.73Å; N144-S159 VanDerWaalsContact ND2-OG 3.1Å; N144-S159 PolarHBondContact OD1-OG 2.76Å; S159-K161 PolarHBondContact O-N 3.07Å; S159-K161 WeakPolarHBondContact OG-CB 3.25Å; S159-K161 PolarHBondContact OG-N 2.8Å; S159-D162 PolarHBondContact O-N 3.13Å; S159-D162 VanDerWaalsContact O-N 3.17Å; S159-D162 WeakPolarHBondContact OG-CB 3.37Å; S159-D162 PolarHBondContact OG-N 2.82Å; S159-D162 PolarHBondContact OG-OD2 2.82Å; S159-F163 PolarHBondContact O-N 3.34Å; S159-F163 VanDerWaalsContact O-N 3.09Å
160	A	97.4	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-32.8	172.6	0	0	0	0	0	111.1	D162 V164 V193 V197 I363 S364	A160-D162 VanDerWaalsContact C-N 3.33Å; A160-D162 PolarHBondContact O-N 2.77Å; A160-V164 WeakPolarHBondContact O-CB 3.42Å; A160-V164 WeakPolarHBondContact O-CG2 3.32Å; A160-V164 PolarHBondContact O-N 2.96Å; A160-V193 HydrophobicContact CB-CG1 3.78Å; A160-V197 HydrophobicContact CB-CG2 4.3Å; A160-I363 VanDerWaalsContact CA-CG2 3.49Å; A160-I363 HydrophobicContact CB-CG2 3.76Å; A160-S364 WeakPolarHBondContact CB-O 3.48Å; A160-S364 PolarHBondContact N-O 3.11Å
161	K	95.8	Very high	97.7	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.087	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-45.4	176.7	-157.7	177.3	164.4	-113.2	0	112.7	E142 N144 S159 G165 R172 Y368	E142-K161 WeakPolarHBondContact O-CE 3.45Å; E142-K161 PolarHBondContact O-NZ 2.8Å; N144-K161 WeakPolarHBondContact OD1-CB 3.46Å; N144-K161 WeakPolarHBondContact OD1-CD 3.44Å; S159-K161 PolarHBondContact O-N 3.07Å; S159-K161 WeakPolarHBondContact OG-CB 3.25Å; S159-K161 PolarHBondContact OG-N 2.8Å; K161-G165 PolarHBondContact O-N 3.46Å; K161-R172 VanDerWaalsContact NZ-CZ 3.27Å; K161-Y368 HydrophobicContact CB-CD1 4.19Å; K161-Y368 HydrophobicContact CB-CE1 3.58Å; K161-Y368 HydrophobicContact CD-CD1 3.77Å; K161-Y368 HydrophobicContact CD-CE1 3.88Å; K161-Y368 HydrophobicContact CG-CD1 4.08Å; K161-Y368 HydrophobicContact CG-CE1 3.64Å
162	D	96.8	Very high	97.6	Very high	34 Å²	34	26.9 Å²	26.9	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-78.3	-37.7	-173.8	-65.9	-45.3	0	0	0	110.2	N144 S159 A160 G165 W166 R172 N173	N144-D162 PolarHBondContact ND2-OD2 2.86Å; S159-D162 PolarHBondContact O-N 3.13Å; S159-D162 VanDerWaalsContact O-N 3.17Å; S159-D162 WeakPolarHBondContact OG-CB 3.37Å; S159-D162 PolarHBondContact OG-N 2.82Å; S159-D162 PolarHBondContact OG-OD2 2.82Å; A160-D162 VanDerWaalsContact C-N 3.33Å; A160-D162 PolarHBondContact O-N 2.77Å; D162-G165 PolarHBondContact O-N 2.9Å; D162-W166 WeakPolarHBondContact O-CB 3.45Å; D162-W166 PolarHBondContact O-N 3.04Å; D162-R172 IonicContact OD1-NE 3.63Å; D162-R172 IonicContact OD1-NH2 3.63Å; D162-N173 WeakPolarHBondContact CB-ND2 3.39Å; D162-N173 PolarHBondContact OD1-ND2 2.93Å
163	F	98.4	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.9	-43.3	170.6	-164.4	-90.1	0	0	0	111.9	S159 W166 Y167 P178 L180 V197 L201 I363	S159-F163 PolarHBondContact O-N 3.34Å; S159-F163 VanDerWaalsContact O-N 3.09Å; F163-W166 HydrophobicContact CD2-CE3 4.28Å; F163-W166 HydrophobicContact CE1-CE3 4.31Å; F163-W166 HydrophobicContact CE1-CZ3 4.08Å; F163-W166 HydrophobicContact CE2-CE3 4.08Å; F163-W166 AromaticContact CE2-CZ3 3.86Å; F163-W166 HydrophobicContact CE2-CZ3 3.86Å; F163-W166 HydrophobicContact CG-CE3 4.49Å; F163-W166 HydrophobicContact CZ-CE3 4.09Å; F163-W166 AromaticContact CZ-CZ3 3.61Å; F163-W166 HydrophobicContact CZ-CZ3 3.61Å; F163-W166 WeakPolarHBondContact O-CB 3.14Å; F163-W166 PolarHBondContact O-N 2.84Å; F163-Y167 AromaticContact CD1-CD1 3.95Å; F163-Y167 HydrophobicContact CD1-CD1 3.95Å; F163-Y167 HydrophobicContact CD1-CE1 4.06Å; F163-Y167 HydrophobicContact CE1-CD1 4.09Å; F163-Y167 HydrophobicContact CE1-CE1 4.39Å; F163-Y167 WeakPolarHBondContact O-CD1 3.25Å; F163-Y167 PolarHBondContact O-N 2.93Å; F163-P178 HydrophobicContact CD2-CB 4.2Å; F163-P178 HydrophobicContact CD2-CG 4.35Å; F163-P178 HydrophobicContact CE2-CB 3.81Å; F163-P178 HydrophobicContact CE2-CG 3.87Å; F163-L180 HydrophobicContact CE2-CD2 4.24Å; F163-L180 HydrophobicContact CZ-CD2 4.42Å; F163-V197 HydrophobicContact CD1-CG1 3.93Å; F163-V197 HydrophobicContact CD1-CG2 4.25Å; F163-V197 HydrophobicContact CE1-CG1 4.1Å; F163-L201 HydrophobicContact CE1-CD2 4.32Å; F163-L201 HydrophobicContact CE1-CG 4.32Å; F163-L201 HydrophobicContact CZ-CD2 3.71Å; F163-L201 HydrophobicContact CZ-CG 4.19Å; F163-I363 HydrophobicContact CD1-CD1 4.26Å; F163-I363 HydrophobicContact CD2-CD1 3.97Å; F163-I363 HydrophobicContact CE1-CD1 4.47Å; F163-I363 HydrophobicContact CE2-CD1 4.18Å; F163-I363 HydrophobicContact CG-CD1 4.01Å; F163-I363 HydrophobicContact CZ-CD1 4.43Å
164	V	98.6	Very high	97.5	Very high	9 Å²	9	19.2 Å²	19.2	6%	0.055	11%	0.105	C	C	.	.	H	α-helix	trans	-63.5	-45.3	173.5	171.9	0	0	0	0	111.3	G87 A160 W166 Y167 N168 V193 V197	G87-V164 WeakPolarHBondContact O-CG1 2.93Å; A160-V164 WeakPolarHBondContact O-CB 3.42Å; A160-V164 WeakPolarHBondContact O-CG2 3.32Å; A160-V164 PolarHBondContact O-N 2.96Å; V164-W166 VanDerWaalsContact C-N 3.29Å; V164-W166 PolarHBondContact O-N 2.94Å; V164-Y167 VanDerWaalsContact CA-CE1 3.42Å; V164-Y167 HydrophobicContact CB-CE1 4.11Å; V164-Y167 HydrophobicContact CG1-CE2 4.13Å; V164-Y167 HydrophobicContact CG2-CE1 3.94Å; V164-Y167 WeakPolarHBondContact CG2-OH 3.28Å; V164-Y167 PolarHBondContact O-N 3.27Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.49Å; V164-N168 VanDerWaalsContact O-CB 3.22Å; V164-N168 WeakPolarHBondContact O-CB 3.28Å; V164-N168 PolarHBondContact O-N 3.19Å; V164-V193 HydrophobicContact CG2-CG1 4.2Å; V164-V197 HydrophobicContact CG2-CG2 3.87Å
165	G	98.3	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-40.1	177.3	0	0	0	0	0	112.3	K161 D162 N168 G169 L170	K161-G165 PolarHBondContact O-N 3.46Å; D162-G165 PolarHBondContact O-N 2.9Å; G165-N168 PolarHBondContact O-N 3.36Å; G165-G169 PolarHBondContact O-N 2.91Å; G165-L170 WeakPolarHBondContact O-CB 3.37Å; G165-L170 PolarHBondContact O-N 3.32Å
166	W	98.6	Very high	97.3	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-58.4	-58.4	176.4	165	72.5	0	0	0	111.8	D162 F163 V164 N168 G169 N173 L176 P178 L180 T214 H216 A217 A220	D162-W166 WeakPolarHBondContact O-CB 3.45Å; D162-W166 PolarHBondContact O-N 3.04Å; F163-W166 HydrophobicContact CD2-CE3 4.28Å; F163-W166 HydrophobicContact CE1-CE3 4.31Å; F163-W166 HydrophobicContact CE1-CZ3 4.08Å; F163-W166 HydrophobicContact CE2-CE3 4.08Å; F163-W166 AromaticContact CE2-CZ3 3.86Å; F163-W166 HydrophobicContact CE2-CZ3 3.86Å; F163-W166 HydrophobicContact CG-CE3 4.49Å; F163-W166 HydrophobicContact CZ-CE3 4.09Å; F163-W166 AromaticContact CZ-CZ3 3.61Å; F163-W166 HydrophobicContact CZ-CZ3 3.61Å; F163-W166 WeakPolarHBondContact O-CB 3.14Å; F163-W166 PolarHBondContact O-N 2.84Å; V164-W166 VanDerWaalsContact C-N 3.29Å; V164-W166 PolarHBondContact O-N 2.94Å; W166-N168 VanDerWaalsContact C-N 3.26Å; W166-N168 PolarHBondContact O-N 2.8Å; W166-G169 PolarHBondContact O-N 3.4Å; W166-N173 HydrophobicContact CB-CB 4.35Å; W166-L176 HydrophobicContact CB-CB 4.09Å; W166-L176 HydrophobicContact CB-CD2 3.73Å; W166-L176 HydrophobicContact CB-CG 4.49Å; W166-L176 HydrophobicContact CG-CB 4.12Å; W166-L176 HydrophobicContact CG-CD2 4.14Å; W166-L176 PolarHBondContact NE1-O 3.13Å; W166-P178 HydrophobicContact CD2-CG 3.95Å; W166-P178 HydrophobicContact CE3-CG 3.97Å; W166-P178 HydrophobicContact CH2-CG 3.62Å; W166-P178 HydrophobicContact CZ2-CG 3.55Å; W166-P178 HydrophobicContact CZ3-CG 3.83Å; W166-L180 HydrophobicContact CH2-CD1 4.22Å; W166-T214 PolarHBondContact O-OG1 3.42Å; W166-H216 AromaticContact CD1-CD2 3.71Å; W166-H216 AromaticContact CD1-NE2 3.22Å; W166-H216 AromaticContact CE2-CD2 3.99Å; W166-H216 AromaticContact NE1-CD2 3.22Å; W166-H216 PolarHBondContact NE1-CD2 3.04Å; W166-H216 AromaticContact NE1-NE2 3.26Å; W166-H216 PolarHBondContact NE1-NE2 3.43Å; W166-H216 PolarHBondContact O-NE2 2.86Å; W166-A217 HydrophobicContact CD2-CB 4.04Å; W166-A217 HydrophobicContact CE3-CB 4.15Å; W166-A217 HydrophobicContact CH2-CB 3.73Å; W166-A217 VanDerWaalsContact CZ2-CA 3.46Å; W166-A217 HydrophobicContact CZ2-CB 3.63Å; W166-A217 HydrophobicContact CZ3-CB 3.99Å; W166-A220 HydrophobicContact CH2-CB 3.99Å; W166-A220 HydrophobicContact CZ2-CB 3.74Å
167	Y	98.8	Very high	97.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.4	-22.4	-178.6	70.3	-121.7	0	0	0	113.5	P90 F163 V164 I200 I213 T214	P90-Y167 VanDerWaalsContact CD-CE2 3.47Å; P90-Y167 HydrophobicContact CG-CD2 4.2Å; P90-Y167 HydrophobicContact CG-CE2 4.35Å; F163-Y167 AromaticContact CD1-CD1 3.95Å; F163-Y167 HydrophobicContact CD1-CD1 3.95Å; F163-Y167 HydrophobicContact CD1-CE1 4.06Å; F163-Y167 HydrophobicContact CE1-CD1 4.09Å; F163-Y167 HydrophobicContact CE1-CE1 4.39Å; F163-Y167 WeakPolarHBondContact O-CD1 3.25Å; F163-Y167 PolarHBondContact O-N 2.93Å; V164-Y167 VanDerWaalsContact CA-CE1 3.42Å; V164-Y167 HydrophobicContact CB-CE1 4.11Å; V164-Y167 HydrophobicContact CG1-CE2 4.13Å; V164-Y167 HydrophobicContact CG2-CE1 3.94Å; V164-Y167 WeakPolarHBondContact CG2-OH 3.28Å; V164-Y167 PolarHBondContact O-N 3.27Å; Y167-I200 HydrophobicContact CD1-CG1 4.49Å; Y167-I200 HydrophobicContact CD1-CG2 3.96Å; Y167-I200 HydrophobicContact CE1-CB 4.31Å; Y167-I200 HydrophobicContact CE1-CG1 4.03Å; Y167-I200 HydrophobicContact CE1-CG2 4.22Å; Y167-I200 HydrophobicContact CE2-CG1 4.4Å; Y167-I200 HydrophobicContact CG-CG2 4.37Å; Y167-I213 WeakPolarHBondContact O-CG1 3.32Å; Y167-T214 PolarHBondContact O-N 2.83Å; Y167-T214 PolarHBondContact O-OG1 3.17Å
168	N	98.8	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-91.7	-0.2	177	-83.2	-37.9	0	0	0	114.3	F86 G87 V88 V164 G165 W166 K485	F86-N168 WeakPolarHBondContact O-CB 3.39Å; F86-N168 PolarHBondContact O-ND2 3.18Å; F86-N168 VanDerWaalsContact O-ND2 3.16Å; G87-N168 PolarHBondContact O-ND2 3.25Å; G87-N168 VanDerWaalsContact O-ND2 3.15Å; V88-N168 PolarHBondContact O-ND2 3.08Å; V88-N168 PolarHBondContact O-OD1 3.25Å; V164-N168 WeakPolarHBondContact CG1-ND2 3.49Å; V164-N168 VanDerWaalsContact O-CB 3.22Å; V164-N168 WeakPolarHBondContact O-CB 3.28Å; V164-N168 PolarHBondContact O-N 3.19Å; G165-N168 PolarHBondContact O-N 3.36Å; W166-N168 VanDerWaalsContact C-N 3.26Å; W166-N168 PolarHBondContact O-N 2.8Å; N168-K485 WeakPolarHBondContact O-CD 3.38Å; N168-K485 PolarHBondContact O-NZ 3.06Å
169	G	98.3	Very high	97.1	Very high	1 Å²	1	34 Å²	34	1%	0.01	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	35.6	174.4	0	0	0	0	0	114.9	F86 G165 W166 P171 T214	F86-G169 WeakPolarHBondContact CE1-O 3.33Å; G165-G169 PolarHBondContact O-N 2.91Å; W166-G169 PolarHBondContact O-N 3.4Å; G169-P171 WeakPolarHBondContact O-CD 3.3Å; G169-T214 VanDerWaalsContact N-CG2 3.33Å
170	L	98.2	Very high	97.1	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.068	16%	0.156	C	C	.	.			trans	-73.3	120.2	171.1	-175.9	55.6	0	0	0	109.3	L77 F86 G165 R172 N173 S174	L77-L170 HydrophobicContact CD1-CD1 3.99Å; F86-L170 HydrophobicContact CB-CB 4.37Å; F86-L170 HydrophobicContact CB-CD1 4.2Å; F86-L170 HydrophobicContact CB-CD2 4.45Å; F86-L170 HydrophobicContact CD1-CB 3.86Å; F86-L170 HydrophobicContact CD1-CD1 3.91Å; F86-L170 HydrophobicContact CD1-CG 4.45Å; F86-L170 HydrophobicContact CD2-CD1 3.88Å; F86-L170 HydrophobicContact CE1-CB 4.44Å; F86-L170 HydrophobicContact CE1-CD1 4.18Å; F86-L170 HydrophobicContact CE2-CD1 4.16Å; F86-L170 HydrophobicContact CG-CB 4.27Å; F86-L170 HydrophobicContact CG-CD1 3.73Å; F86-L170 HydrophobicContact CG-CG 4.48Å; F86-L170 HydrophobicContact CZ-CD1 4.27Å; G165-L170 WeakPolarHBondContact O-CB 3.37Å; G165-L170 PolarHBondContact O-N 3.32Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 HydrophobicContact CG-CG 4.22Å; L170-R172 PolarHBondContact O-N 2.75Å; L170-R172 VanDerWaalsContact O-N 3.1Å; L170-N173 WeakPolarHBondContact CD2-OD1 3.49Å; L170-N173 WeakPolarHBondContact O-CA 3.42Å; L170-N173 PolarHBondContact O-N 3Å; L170-S174 PolarHBondContact O-N 2.95Å
171	P	97.8	Very high	97.1	Very high	16 Å²	16	36.9 Å²	36.9	10%	0.104	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-53.2	-40.5	-168.5	-35.5	39.7	0	0	0	115.7	G169 N173 S174 L487 V489 M492	G169-P171 WeakPolarHBondContact O-CD 3.3Å; P171-N173 PolarHBondContact O-N 3.13Å; P171-N173 VanDerWaalsContact O-N 3.08Å; P171-S174 WeakPolarHBondContact O-CB 3.43Å; P171-S174 PolarHBondContact O-N 2.89Å; P171-S174 VanDerWaalsContact O-N 3.16Å; P171-S174 PolarHBondContact O-OG 2.87Å; P171-L487 WeakPolarHBondContact CA-O 3.18Å; P171-L487 WeakPolarHBondContact CB-O 3.36Å; P171-L487 WeakPolarHBondContact CG-O 3.48Å; P171-V489 HydrophobicContact CB-CG2 3.76Å; P171-V489 HydrophobicContact CG-CG2 3.96Å; P171-M492 HydrophobicContact CG-CE 3.83Å
172	R	95.8	Very high	97.2	Very high	104 Å²	104	37 Å²	37	39%	0.392	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-65.2	-14.8	179	73.4	169.6	-166.6	-86.9	-29.1	114.3	E142 K161 D162 L170	E142-R172 IonicContact OE1-CZ 2.76Å; E142-R172 IonicContact OE1-NH1 3.67Å; E142-R172 PolarHBondContact OE1-NH1 2.83Å; K161-R172 VanDerWaalsContact NZ-CZ 3.27Å; D162-R172 IonicContact OD1-NE 3.63Å; D162-R172 IonicContact OD1-NH2 3.63Å; L170-R172 VanDerWaalsContact C-N 3.31Å; L170-R172 HydrophobicContact CG-CG 4.22Å; L170-R172 PolarHBondContact O-N 2.75Å; L170-R172 VanDerWaalsContact O-N 3.1Å
173	N	97.3	Very high	97.2	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.059	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-110.4	8.5	-178.7	-61.9	113.9	0	0	0	111.9	D162 W166 L170 P171 E175 L176	D162-N173 WeakPolarHBondContact CB-ND2 3.39Å; D162-N173 PolarHBondContact OD1-ND2 2.93Å; W166-N173 HydrophobicContact CB-CB 4.35Å; L170-N173 WeakPolarHBondContact CD2-OD1 3.49Å; L170-N173 WeakPolarHBondContact O-CA 3.42Å; L170-N173 PolarHBondContact O-N 3Å; P171-N173 PolarHBondContact O-N 3.13Å; P171-N173 VanDerWaalsContact O-N 3.08Å; N173-E175 VanDerWaalsContact C-N 3.28Å; N173-E175 PolarHBondContact O-N 3.35Å; N173-L176 VanDerWaalsContact O-CB 3.3Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 3.27Å
174	S	94.2	Very high	97.3	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.2	-179.4	64.1	0	0	0	0	113.3	L170 P171 L176	L170-S174 PolarHBondContact O-N 2.95Å; P171-S174 WeakPolarHBondContact O-CB 3.43Å; P171-S174 PolarHBondContact O-N 2.89Å; P171-S174 VanDerWaalsContact O-N 3.16Å; P171-S174 PolarHBondContact O-OG 2.87Å; S174-L176 VanDerWaalsContact C-N 3.32Å
175	E	94.6	Very high	97.3	Very high	135 Å²	135	42.2 Å²	42.2	63%	0.631	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.9	178.4	-62.4	-53.4	136.7	0	0	113.2	N173 R177	N173-E175 VanDerWaalsContact C-N 3.28Å; N173-E175 PolarHBondContact O-N 3.35Å; E175-R177 PolarHBondContact O-N 3.39Å; E175-R177 IonicContact OE2-NH2 3.5Å
176	L	95.6	Very high	97.3	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.194	21%	0.206	C	C	.	.			trans	-66.7	126.2	173.9	-165.7	71.8	0	0	0	108.8	Y158 W166 N173 S174 P178	Y158-L176 HydrophobicContact CD1-CD1 3.82Å; Y158-L176 HydrophobicContact CD1-CD2 4.3Å; Y158-L176 HydrophobicContact CD1-CG 4.43Å; Y158-L176 HydrophobicContact CE1-CD1 3.7Å; Y158-L176 HydrophobicContact CE1-CG 4.33Å; W166-L176 HydrophobicContact CB-CB 4.09Å; W166-L176 HydrophobicContact CB-CD2 3.73Å; W166-L176 HydrophobicContact CB-CG 4.49Å; W166-L176 HydrophobicContact CG-CB 4.12Å; W166-L176 HydrophobicContact CG-CD2 4.14Å; W166-L176 PolarHBondContact NE1-O 3.13Å; N173-L176 VanDerWaalsContact O-CB 3.3Å; N173-L176 WeakPolarHBondContact O-CB 3.5Å; N173-L176 PolarHBondContact O-N 3.27Å; S174-L176 VanDerWaalsContact C-N 3.32Å; L176-P178 WeakPolarHBondContact O-CD 3.24Å
177	R	95.4	Very high	97.3	Very high	196 Å²	196	42 Å²	42	74%	0.74	21%	0.205	S	C	*	.			trans	-121.9	74.6	178.3	-62.9	-179.5	-170.2	-117.1	-2.9	108.8	E175 D179	E175-R177 PolarHBondContact O-N 3.39Å; E175-R177 IonicContact OE2-NH2 3.5Å; R177-D179 PolarHBondContact O-N 3.44Å
178	P	96.7	Very high	97.3	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.078	21%	0.206	C	C	.	.			trans	-62.5	128.4	178	27.5	-31.9	0	0	0	109.7	Y158 F163 W166 L176 L180	Y158-P178 HydrophobicContact CE2-CB 3.95Å; Y158-P178 WeakPolarHBondContact OH-CA 3.18Å; F163-P178 HydrophobicContact CD2-CB 4.2Å; F163-P178 HydrophobicContact CD2-CG 4.35Å; F163-P178 HydrophobicContact CE2-CB 3.81Å; F163-P178 HydrophobicContact CE2-CG 3.87Å; W166-P178 HydrophobicContact CD2-CG 3.95Å; W166-P178 HydrophobicContact CE3-CG 3.97Å; W166-P178 HydrophobicContact CH2-CG 3.62Å; W166-P178 HydrophobicContact CZ2-CG 3.55Å; W166-P178 HydrophobicContact CZ3-CG 3.83Å; L176-P178 WeakPolarHBondContact O-CD 3.24Å; P178-L180 HydrophobicContact CB-CD2 4.11Å; P178-L180 HydrophobicContact CG-CD2 4.47Å; P178-L180 PolarHBondContact O-N 3.14Å
179	D	95.8	Very high	97.2	Very high	73 Å²	73	43 Å²	43	39%	0.39	21%	0.214	S	C	.	.			trans	-74.5	111.2	172	-176.4	-2	0	0	0	108.8	R177 S181	R177-D179 PolarHBondContact O-N 3.44Å; D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.88Å; D179-S181 PolarHBondContact OD1-OG 3.1Å; D179-S181 PolarHBondContact OD2-OG 3.06Å
180	L	98.3	Very high	97.2	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.052	22%	0.217	C	C	.	.			trans	-104.7	15.6	179.7	-54.6	-175.6	0	0	0	112.1	F163 W166 P178 C182 L201 A220 L221 S225 L361	F163-L180 HydrophobicContact CE2-CD2 4.24Å; F163-L180 HydrophobicContact CZ-CD2 4.42Å; W166-L180 HydrophobicContact CH2-CD1 4.22Å; P178-L180 HydrophobicContact CB-CD2 4.11Å; P178-L180 HydrophobicContact CG-CD2 4.47Å; P178-L180 PolarHBondContact O-N 3.14Å; L180-C182 VanDerWaalsContact C-N 3.27Å; L180-C182 PolarHBondContact O-N 3.27Å; L180-L201 HydrophobicContact CD2-CD2 3.98Å; L180-A220 HydrophobicContact CD1-CB 4.38Å; L180-L221 HydrophobicContact CD1-CD2 3.92Å; L180-L221 HydrophobicContact CD1-CG 4.4Å; L180-S225 PolarHBondContact O-N 2.87Å; L180-L361 HydrophobicContact CD2-CD2 3.78Å
181	S	97.6	Very high	97.1	Very high	69 Å²	69	43.8 Å²	43.8	48%	0.483	22%	0.222	S	C	.	.			trans	-76.8	-10.9	-179.7	68.5	0	0	0	0	113.8	D179 S225	D179-S181 WeakPolarHBondContact OD1-CB 3.47Å; D179-S181 PolarHBondContact OD1-N 2.88Å; D179-S181 PolarHBondContact OD1-OG 3.1Å; D179-S181 PolarHBondContact OD2-OG 3.06Å; S181-S225 WeakPolarHBondContact O-CB 3.3Å
182	C	97.3	Very high	97.1	Very high	23 Å²	23	44.6 Å²	44.6	16%	0.155	23%	0.225	C	C	.	.	S	Bend	trans	-79.3	155.2	175.7	69.6	0	0	0	0	112.6	L180 S225 V226	L180-C182 VanDerWaalsContact C-N 3.27Å; L180-C182 PolarHBondContact O-N 3.27Å; C182-S225 CarbonylContact O-C 3.56Å; C182-S225 VanDerWaalsContact O-C 3.26Å; C182-V226 VanDerWaalsContact O-CA 3.29Å; C182-V226 WeakPolarHBondContact O-CA 3.36Å; C182-V226 WeakPolarHBondContact O-CG2 3.06Å; C182-V226 PolarHBondContact O-N 2.91Å; C182-V226 VanDerWaalsContact O-N 3.15Å
183	E	98	Very high	97.2	Very high	132 Å²	132	41.4 Å²	41.4	62%	0.617	22%	0.217	S	C	*	.	S	Bend	trans	-81.4	-36	179.6	-169.3	176.5	166.4	0	0	113.5	V226 R227 R228	E183-V226 WeakPolarHBondContact O-CA 3.33Å; E183-R227 HydrophobicContact CG-CB 4Å; E183-R227 HydrophobicContact CG-CG 4.26Å; E183-R227 PolarHBondContact O-N 3.44Å; E183-R228 PolarHBondContact O-N 2.87Å
184	T	98.7	Very high	97.2	Very high	21 Å²	21	40.9 Å²	40.9	13%	0.129	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.1	-175.4	-61.3	0	0	0	0	112	R228 C359 G360	T184-R228 WeakPolarHBondContact CA-O 3.35Å; T184-R228 HydrophobicContact CG2-CB 4.44Å; T184-C359 HydrophobicContact CG2-CB 4.07Å; T184-C359 WeakPolarHBondContact O-CA 3.35Å; T184-C359 WeakPolarHBondContact O-CB 3.39Å; T184-G360 PolarHBondContact O-N 3.35Å
185	A	98.9	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.9	169.8	0	0	0	0	0	111.1	L201 V226 R228 V229 L230 L361	A185-L201 HydrophobicContact CB-CD1 4.11Å; A185-V226 HydrophobicContact CB-CG1 4.18Å; A185-R228 PolarHBondContact N-O 3.13Å; A185-V229 HydrophobicContact CB-CG2 4.32Å; A185-V229 CarbonylContact O-C 3.58Å; A185-V229 WeakPolarHBondContact O-CA 3.09Å; A185-L230 PolarHBondContact O-N 3.35Å; A185-L361 CarbonylContact C-O 3.58Å; A185-L361 WeakPolarHBondContact CA-O 3.32Å; A185-L361 HydrophobicContact CB-CB 3.92Å; A185-L361 HydrophobicContact CB-CD2 3.82Å; A185-L361 HydrophobicContact CB-CG 4.13Å
186	V	98.9	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.7	175.6	173.7	0	0	0	0	109.5	L188 L230 V232 I332 V357 C359 L361 V362 I363	V186-L188 HydrophobicContact CG1-CD2 4.07Å; V186-L230 CarbonylContact C-O 3.57Å; V186-L230 WeakPolarHBondContact CA-O 3.37Å; V186-L230 HydrophobicContact CG2-CB 4.22Å; V186-L230 HydrophobicContact CG2-CD2 4.49Å; V186-V232 HydrophobicContact CG1-CG2 3.66Å; V186-I332 HydrophobicContact CB-CG2 4.37Å; V186-I332 HydrophobicContact CG1-CG2 4.14Å; V186-I332 HydrophobicContact CG2-CG2 4.09Å; V186-V357 HydrophobicContact CG2-CG1 3.99Å; V186-C359 HydrophobicContact CG2-CB 3.73Å; V186-C359 VanDerWaalsContact CG2-SG 3.59Å; V186-L361 PolarHBondContact N-O 2.91Å; V186-V362 CarbonylContact O-C 3.13Å; V186-V362 WeakPolarHBondContact O-CA 3.46Å; V186-I363 PolarHBondContact O-N 3Å
187	I	98.9	Very high	97.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.4	175.1	-53.6	174.8	0	0	0	108.8	A194 V197 A198 V229 L230 I231 V232 I363	I187-A194 WeakPolarHBondContact CD1-O 3.5Å; I187-A194 HydrophobicContact CG2-CB 3.65Å; I187-V197 HydrophobicContact CD1-CB 3.98Å; I187-V197 HydrophobicContact CD1-CG1 3.67Å; I187-V197 HydrophobicContact CG1-CG1 4.33Å; I187-A198 HydrophobicContact CD1-CB 3.83Å; I187-V229 HydrophobicContact CD1-CG1 3.51Å; I187-V229 HydrophobicContact CG1-CG1 3.95Å; I187-L230 PolarHBondContact N-O 2.68Å; I187-I231 CarbonylContact O-C 3.59Å; I187-I231 WeakPolarHBondContact O-CA 3.4Å; I187-V232 PolarHBondContact O-N 2.78Å; I187-I363 CarbonylContact C-O 3.55Å; I187-I363 VanDerWaalsContact CA-O 3.31Å; I187-I363 WeakPolarHBondContact CA-O 3.35Å; I187-I363 HydrophobicContact CG1-CB 4.3Å
188	L	98.6	Very high	97.9	Very high	3 Å²	3	22.9 Å²	22.9	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.2	-179.3	-59.2	170.9	0	0	0	110.4	M147 V186 V232 P317 I332 L334 V362 I363 S365 I366	M147-L188 HydrophobicContact CG-CD1 4.28Å; M147-L188 HydrophobicContact SD-CD1 3.13Å; M147-L188 WeakPolarHBondContact SD-CD1 3.49Å; V186-L188 HydrophobicContact CG1-CD2 4.07Å; L188-V232 HydrophobicContact CD2-CB 3.96Å; L188-V232 HydrophobicContact CD2-CG1 4.19Å; L188-P317 HydrophobicContact CD1-CB 4.09Å; L188-P317 HydrophobicContact CD1-CG 4.11Å; L188-P317 HydrophobicContact CD2-CB 4.43Å; L188-I332 HydrophobicContact CD1-CD1 3.95Å; L188-I332 HydrophobicContact CD2-CD1 3.99Å; L188-I332 HydrophobicContact CG-CD1 4.4Å; L188-L334 HydrophobicContact CD2-CD2 4.47Å; L188-V362 HydrophobicContact CD1-CG1 4Å; L188-V362 HydrophobicContact CG-CG1 4.45Å; L188-I363 PolarHBondContact N-O 3.31Å; L188-S365 CarbonylContact O-C 3.55Å; L188-S365 WeakPolarHBondContact O-CA 3.38Å; L188-S365 WeakPolarHBondContact O-CB 3.47Å; L188-S365 PolarHBondContact O-N 2.64Å; L188-I366 HydrophobicContact CB-CG2 4.18Å; L188-I366 WeakPolarHBondContact O-CG2 3.43Å
189	G	97.4	Very high	98	Very high	16 Å²	16	22.5 Å²	22.5	17%	0.165	13%	0.132	C	C	.	.	S	Bend	trans	110.5	143.7	-175	0	0	0	0	0	112.1	A194 I231 V232	G189-A194 WeakPolarHBondContact O-CB 3.41Å; G189-I231 VanDerWaalsContact O-CG2 3.25Å; G189-I231 WeakPolarHBondContact O-CG2 3.2Å; G189-V232 PolarHBondContact N-O 3.39Å
190	Q	97.5	Very high	98.2	Very high	16 Å²	16	19 Å²	19	8%	0.075	11%	0.113	C	C	.	.			trans	-119	50.8	-172.8	-64.6	174.8	-32.6	0	0	111.1	I231 G233 V240 A241 C242 F311 R312 F313	Q190-I231 HydrophobicContact CG-CG2 4.04Å; Q190-I231 PolarHBondContact NE2-O 2.69Å; Q190-G233 VanDerWaalsContact CD-CA 3.42Å; Q190-V240 HydrophobicContact CB-CB 4.4Å; Q190-V240 HydrophobicContact CB-CG1 4.21Å; Q190-A241 CarbonylContact O-C 3.53Å; Q190-A241 WeakPolarHBondContact O-CA 3.34Å; Q190-A241 PolarHBondContact O-N 2.74Å; Q190-C242 PolarHBondContact O-N 2.96Å; Q190-F311 HydrophobicContact CB-CD1 4.41Å; Q190-F311 HydrophobicContact CB-CE1 4.09Å; Q190-F311 HydrophobicContact CG-CD1 3.8Å; Q190-F311 HydrophobicContact CG-CE1 3.96Å; Q190-R312 PolarHBondContact NE2-O 3.12Å; Q190-R312 VanDerWaalsContact NE2-O 3.08Å; Q190-F313 VanDerWaalsContact NE2-CD1 3.32Å
191	G	96.6	Very high	98.2	Very high	16 Å²	16	18.7 Å²	18.7	17%	0.165	11%	0.111	C	C	.	.	S	Bend	trans	-106.8	179.2	176.4	0	0	0	0	0	112.5	V193 A194 L195	G191-V193 VanDerWaalsContact C-N 3.29Å; G191-V193 PolarHBondContact O-N 3.22Å; G191-A194 WeakPolarHBondContact O-CB 3.32Å; G191-A194 PolarHBondContact O-N 3.48Å; G191-A194 VanDerWaalsContact O-N 3.11Å; G191-L195 PolarHBondContact O-N 3.41Å
192	N	96.9	Very high	98.3	Very high	33 Å²	33	15.4 Å²	15.4	18%	0.176	9%	0.088	C	C	.	.	H	α-helix	trans	-58	-40.5	178.2	-72	-5.4	0	0	0	112.7	A194 L195 D196 C242 T243 E246	N192-A194 VanDerWaalsContact C-N 3.25Å; N192-A194 PolarHBondContact O-N 3.26Å; N192-L195 CarbonylContact O-C 3.26Å; N192-L195 WeakPolarHBondContact O-CA 3.46Å; N192-L195 WeakPolarHBondContact O-CB 3.13Å; N192-L195 PolarHBondContact O-N 3Å; N192-D196 PolarHBondContact O-N 3.21Å; N192-C242 WeakPolarHBondContact OD1-CA 3.34Å; N192-T243 PolarHBondContact ND2-OG1 2.72Å; N192-T243 PolarHBondContact OD1-N 2.68Å; N192-T243 PolarHBondContact OD1-OG1 3.49Å; N192-E246 HydrophobicContact CB-CG 4.2Å; N192-E246 PolarHBondContact ND2-OE1 3.48Å
193	V	97.6	Very high	98.3	Very high	37 Å²	37	14.5 Å²	14.5	22%	0.224	8%	0.083	C	C	.	.	H	α-helix	trans	-59.9	-37.4	178	178	0	0	0	0	111.7	A160 V164 G191 L195 D196 V197 Y368	A160-V193 HydrophobicContact CB-CG1 3.78Å; V164-V193 HydrophobicContact CG2-CG1 4.2Å; G191-V193 VanDerWaalsContact C-N 3.29Å; G191-V193 PolarHBondContact O-N 3.22Å; V193-L195 VanDerWaalsContact C-N 3.33Å; V193-D196 PolarHBondContact O-N 3.38Å; V193-V197 WeakPolarHBondContact O-CG2 3.17Å; V193-V197 PolarHBondContact O-N 2.98Å; V193-Y368 WeakPolarHBondContact CG1-OH 3.22Å; V193-Y368 HydrophobicContact CG2-CE2 4.47Å
194	A	98.4	Very high	98.3	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-65.6	-39.1	176.5	0	0	0	0	0	111.6	I187 G189 G191 N192 A198 I231 S365	I187-A194 WeakPolarHBondContact CD1-O 3.5Å; I187-A194 HydrophobicContact CG2-CB 3.65Å; G189-A194 WeakPolarHBondContact O-CB 3.41Å; G191-A194 WeakPolarHBondContact O-CB 3.32Å; G191-A194 PolarHBondContact O-N 3.48Å; G191-A194 VanDerWaalsContact O-N 3.11Å; N192-A194 VanDerWaalsContact C-N 3.25Å; N192-A194 PolarHBondContact O-N 3.26Å; A194-A198 WeakPolarHBondContact O-CB 3.38Å; A194-A198 PolarHBondContact O-N 3.25Å; A194-I231 HydrophobicContact CB-CG2 4Å; A194-S365 PolarHBondContact N-OG 3.49Å
195	L	98.6	Very high	98.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.8	-36	174	-65.6	-177.1	0	0	0	112.4	G191 N192 V193 A198 R199 I231 C242 E246 L247 M250 F311	G191-L195 PolarHBondContact O-N 3.41Å; N192-L195 CarbonylContact O-C 3.26Å; N192-L195 WeakPolarHBondContact O-CA 3.46Å; N192-L195 WeakPolarHBondContact O-CB 3.13Å; N192-L195 PolarHBondContact O-N 3Å; V193-L195 VanDerWaalsContact C-N 3.33Å; L195-A198 PolarHBondContact O-N 3.15Å; L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 PolarHBondContact O-N 2.95Å; L195-I231 HydrophobicContact CD2-CD1 3.66Å; L195-C242 HydrophobicContact CD1-CB 3.51Å; L195-C242 HydrophobicContact CG-CB 4.24Å; L195-E246 HydrophobicContact CD1-CB 3.79Å; L195-L247 HydrophobicContact CD1-CB 4.41Å; L195-M250 HydrophobicContact CD2-CB 4.38Å; L195-M250 HydrophobicContact CD2-CG 4.23Å; L195-F311 HydrophobicContact CD2-CE1 4.43Å; L195-F311 HydrophobicContact CD2-CZ 3.98Å
196	D	98.6	Very high	98.1	Very high	19 Å²	19	16.1 Å²	16.1	10%	0.102	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-48	174.9	-67.6	-24.7	0	0	0	111	A89 H92 N192 V193 R199 I200	A89-D196 HydrophobicContact CB-CB 4.26Å; H92-D196 IonicContact CE1-OD1 2.8Å; H92-D196 PolarHBondContact CE1-OD1 2.78Å; H92-D196 IonicContact ND1-OD1 2.68Å; N192-D196 PolarHBondContact O-N 3.21Å; V193-D196 PolarHBondContact O-N 3.38Å; D196-R199 PolarHBondContact O-N 3.02Å; D196-R199 IonicContact OD1-CZ 3.98Å; D196-R199 VanDerWaalsContact OD1-CZ 3.25Å; D196-R199 IonicContact OD1-NH1 2.74Å; D196-R199 PolarHBondContact OD1-NH1 3.47Å; D196-R199 IonicContact OD1-NH2 3.28Å; D196-R199 PolarHBondContact OD1-NH2 2.9Å; D196-I200 VanDerWaalsContact O-CG1 3.3Å; D196-I200 WeakPolarHBondContact O-CG1 3.18Å; D196-I200 PolarHBondContact O-N 3.29Å
197	V	98.8	Very high	98	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-46.4	176	172.8	0	0	0	0	111.2	A160 F163 V164 I187 V193 R199 I200 L201 I363	A160-V197 HydrophobicContact CB-CG2 4.3Å; F163-V197 HydrophobicContact CD1-CG1 3.93Å; F163-V197 HydrophobicContact CD1-CG2 4.25Å; F163-V197 HydrophobicContact CE1-CG1 4.1Å; V164-V197 HydrophobicContact CG2-CG2 3.87Å; I187-V197 HydrophobicContact CD1-CB 3.98Å; I187-V197 HydrophobicContact CD1-CG1 3.67Å; I187-V197 HydrophobicContact CG1-CG1 4.33Å; V193-V197 WeakPolarHBondContact O-CG2 3.17Å; V193-V197 PolarHBondContact O-N 2.98Å; V197-R199 VanDerWaalsContact C-N 3.3Å; V197-R199 PolarHBondContact O-N 3.21Å; V197-I200 PolarHBondContact O-N 2.8Å; V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 WeakPolarHBondContact O-CG 3.18Å; V197-L201 PolarHBondContact O-N 3.25Å; V197-I363 HydrophobicContact CG1-CD1 3.44Å; V197-I363 VanDerWaalsContact CG1-CD1 3.44Å; V197-I363 HydrophobicContact CG1-CG2 4.27Å
198	A	98.8	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.1	-42.7	177.4	0	0	0	0	0	111.9	I187 A194 L195 L201 L202 V229 I231 M250	I187-A198 HydrophobicContact CD1-CB 3.83Å; A194-A198 WeakPolarHBondContact O-CB 3.38Å; A194-A198 PolarHBondContact O-N 3.25Å; L195-A198 PolarHBondContact O-N 3.15Å; A198-L201 PolarHBondContact O-N 3.48Å; A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 WeakPolarHBondContact O-CG 3.43Å; A198-L202 PolarHBondContact O-N 3.28Å; A198-L202 VanDerWaalsContact O-N 3.08Å; A198-V229 HydrophobicContact CB-CB 4.48Å; A198-V229 HydrophobicContact CB-CG1 3.75Å; A198-I231 HydrophobicContact CB-CD1 3.85Å; A198-I231 HydrophobicContact CB-CG1 4.49Å; A198-M250 HydrophobicContact CB-CE 3.95Å; A198-M250 HydrophobicContact CB-SD 4.17Å
199	R	98.7	Very high	98	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-66.2	-44.9	179.2	-170.6	169.8	68.8	-101	-8.9	111.5	A89 D91 H92 L195 D196 V197 L201 L202 S203 M250 L253	A89-R199 VanDerWaalsContact CB-NH2 3.29Å; D91-R199 IonicContact OD1-CZ 3.25Å; D91-R199 IonicContact OD1-NE 2.8Å; D91-R199 PolarHBondContact OD1-NE 3.42Å; D91-R199 IonicContact OD1-NH2 2.8Å; D91-R199 PolarHBondContact OD1-NH2 3.25Å; D91-R199 VanDerWaalsContact OD2-CD 3.31Å; D91-R199 WeakPolarHBondContact OD2-CD 3.49Å; D91-R199 IonicContact OD2-CZ 3.05Å; D91-R199 IonicContact OD2-NE 3.22Å; D91-R199 PolarHBondContact OD2-NE 3.49Å; D91-R199 IonicContact OD2-NH2 2.73Å; H92-R199 VanDerWaalsContact CE1-CZ 3.47Å; H92-R199 PolarHBondContact CE1-NH2 3.34Å; H92-R199 PolarHBondContact ND1-NH2 3.47Å; H92-R199 PolarHBondContact NE2-NH2 2.6Å; L195-R199 WeakPolarHBondContact O-CB 3.38Å; L195-R199 PolarHBondContact O-N 2.95Å; D196-R199 PolarHBondContact O-N 3.02Å; D196-R199 IonicContact OD1-CZ 3.98Å; D196-R199 VanDerWaalsContact OD1-CZ 3.25Å; D196-R199 IonicContact OD1-NH1 2.74Å; D196-R199 PolarHBondContact OD1-NH1 3.47Å; D196-R199 IonicContact OD1-NH2 3.28Å; D196-R199 PolarHBondContact OD1-NH2 2.9Å; V197-R199 VanDerWaalsContact C-N 3.3Å; V197-R199 PolarHBondContact O-N 3.21Å; R199-L201 PolarHBondContact O-N 3.4Å; R199-L202 PolarHBondContact O-N 3.4Å; R199-S203 WeakPolarHBondContact O-CA 3.41Å; R199-S203 WeakPolarHBondContact O-CB 3.42Å; R199-S203 PolarHBondContact O-N 3.41Å; R199-S203 PolarHBondContact O-OG 3.2Å; R199-M250 HydrophobicContact CB-SD 4.14Å; R199-L253 HydrophobicContact CG-CD1 4Å; R199-L253 HydrophobicContact CG-CD2 4.12Å
200	I	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-42	176.4	-67.1	-62.7	0	0	0	111.9	P90 Y167 D196 V197 L202 L208 I213 L221	P90-I200 HydrophobicContact CG-CD1 3.67Å; Y167-I200 HydrophobicContact CD1-CG1 4.49Å; Y167-I200 HydrophobicContact CD1-CG2 3.96Å; Y167-I200 HydrophobicContact CE1-CB 4.31Å; Y167-I200 HydrophobicContact CE1-CG1 4.03Å; Y167-I200 HydrophobicContact CE1-CG2 4.22Å; Y167-I200 HydrophobicContact CE2-CG1 4.4Å; Y167-I200 HydrophobicContact CG-CG2 4.37Å; D196-I200 VanDerWaalsContact O-CG1 3.3Å; D196-I200 WeakPolarHBondContact O-CG1 3.18Å; D196-I200 PolarHBondContact O-N 3.29Å; V197-I200 PolarHBondContact O-N 2.8Å; I200-L202 VanDerWaalsContact C-N 3.3Å; I200-L202 PolarHBondContact O-N 2.85Å; I200-L208 HydrophobicContact CD1-CD2 3.88Å; I200-I213 HydrophobicContact CG2-CD1 4.45Å; I200-L221 HydrophobicContact CG2-CD1 3.71Å; I200-L221 HydrophobicContact CG2-CD2 4.41Å
201	L	98.8	Very high	98	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-64.2	-34.2	177.1	-77	170.7	0	0	0	112.9	F163 L180 A185 V197 A198 R199 L221 V229 L361 I363	F163-L201 HydrophobicContact CE1-CD2 4.32Å; F163-L201 HydrophobicContact CE1-CG 4.32Å; F163-L201 HydrophobicContact CZ-CD2 3.71Å; F163-L201 HydrophobicContact CZ-CG 4.19Å; L180-L201 HydrophobicContact CD2-CD2 3.98Å; A185-L201 HydrophobicContact CB-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CD1 4.02Å; V197-L201 WeakPolarHBondContact O-CG 3.18Å; V197-L201 PolarHBondContact O-N 3.25Å; A198-L201 PolarHBondContact O-N 3.48Å; R199-L201 PolarHBondContact O-N 3.4Å; L201-L221 HydrophobicContact CD2-CD2 4.36Å; L201-V229 HydrophobicContact CB-CG2 4.19Å; L201-V229 HydrophobicContact CD1-CG2 4.15Å; L201-L361 HydrophobicContact CD1-CD2 4.25Å; L201-L361 HydrophobicContact CD2-CD2 4.21Å; L201-I363 HydrophobicContact CD1-CD1 4.19Å
202	L	98.8	Very high	98.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-104.9	-13.3	-171.2	-62.9	-178.2	0	0	0	114.6	A198 R199 I200 V226 V229 M250 L253 T256 R307 W309	A198-L202 WeakPolarHBondContact O-CB 3.01Å; A198-L202 WeakPolarHBondContact O-CG 3.43Å; A198-L202 PolarHBondContact O-N 3.28Å; A198-L202 VanDerWaalsContact O-N 3.08Å; R199-L202 PolarHBondContact O-N 3.4Å; I200-L202 VanDerWaalsContact C-N 3.3Å; I200-L202 PolarHBondContact O-N 2.85Å; L202-V226 HydrophobicContact CD2-CG1 4.29Å; L202-V229 HydrophobicContact CD1-CB 3.89Å; L202-V229 HydrophobicContact CD1-CG2 3.71Å; L202-V229 HydrophobicContact CD2-CG2 3.8Å; L202-V229 HydrophobicContact CG-CB 4.38Å; L202-V229 HydrophobicContact CG-CG2 3.64Å; L202-M250 HydrophobicContact CD1-CE 3.8Å; L202-L253 HydrophobicContact CB-CD2 3.98Å; L202-T256 HydrophobicContact CB-CG2 4.02Å; L202-R307 HydrophobicContact CD2-CB 4.15Å; L202-R307 HydrophobicContact CD2-CG 4.37Å; L202-R307 WeakPolarHBondContact O-CD 3.06Å; L202-R307 PolarHBondContact O-NH1 2.97Å; L202-W309 HydrophobicContact CD1-CB 3.72Å
203	S	98.4	Very high	98.2	Very high	5 Å²	5	28.3 Å²	28.3	4%	0.035	15%	0.145	C	C	.	.	S	Bend	trans	-61.7	139.9	178.4	-86.3	0	0	0	0	111.5	R199 V205 L253 R307	R199-S203 WeakPolarHBondContact O-CA 3.41Å; R199-S203 WeakPolarHBondContact O-CB 3.42Å; R199-S203 PolarHBondContact O-N 3.41Å; R199-S203 PolarHBondContact O-OG 3.2Å; S203-V205 PolarHBondContact O-N 2.98Å; S203-L253 WeakPolarHBondContact OG-CD1 3.37Å; S203-R307 PolarHBondContact O-NH1 2.81Å
204	P	97.6	Very high	98.3	Very high	40 Å²	40	26.5 Å²	26.5	26%	0.26	13%	0.134	S	C	.	.			trans	-56.2	134.3	165.2	-26	33.9	0	0	0	112	D206 I207 L208 P254	P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.16Å; P204-I207 HydrophobicContact CB-CD1 4.38Å; P204-I207 HydrophobicContact CB-CG1 4.45Å; P204-I207 HydrophobicContact CG-CD1 4.21Å; P204-I207 WeakPolarHBondContact O-CB 3.44Å; P204-I207 PolarHBondContact O-N 3.32Å; P204-L208 PolarHBondContact O-N 3.44Å; P204-P254 HydrophobicContact CG-CB 4.4Å
205	V	97.4	Very high	98.2	Very high	43 Å²	43	28.8 Å²	28.8	26%	0.261	15%	0.145	S	C	.	.	H	α-helix	trans	-57.6	-33.1	-179.1	178.3	0	0	0	0	111.7	S203 I207 L208 K209 L218 A222	S203-V205 PolarHBondContact O-N 2.98Å; V205-I207 PolarHBondContact O-N 3.04Å; V205-L208 PolarHBondContact O-N 2.91Å; V205-L208 VanDerWaalsContact O-N 3.14Å; V205-K209 WeakPolarHBondContact O-CB 3.39Å; V205-K209 PolarHBondContact O-N 3.05Å; V205-L218 HydrophobicContact CG1-CD1 3.86Å; V205-L218 HydrophobicContact CG1-CG 4.37Å; V205-A222 HydrophobicContact CG1-CB 4.3Å; V205-A222 HydrophobicContact CG2-CB 4.16Å
206	D	96.9	Very high	98.2	Very high	103 Å²	103	31.3 Å²	31.3	55%	0.551	16%	0.156	S	C	*	.	H	α-helix	trans	-62.5	-24.3	178	-76.3	-31.8	0	0	0	114.6	P204 K209	P204-D206 PolarHBondContact O-N 3.16Å; P204-D206 VanDerWaalsContact O-N 3.16Å; D206-K209 VanDerWaalsContact OD1-CE 3.32Å; D206-K209 WeakPolarHBondContact OD1-CE 3.37Å; D206-K209 IonicContact OD1-NZ 3.24Å; D206-K209 PolarHBondContact OD1-NZ 2.85Å
207	I	96.9	Very high	98.2	Very high	74 Å²	74	30.4 Å²	30.4	38%	0.379	15%	0.151	S	C	.	.	H	α-helix	trans	-81	-49.6	172.9	-63.8	175.9	0	0	0	108.9	P204 V205 K209 K210 P254	P204-I207 HydrophobicContact CB-CD1 4.38Å; P204-I207 HydrophobicContact CB-CG1 4.45Å; P204-I207 HydrophobicContact CG-CD1 4.21Å; P204-I207 WeakPolarHBondContact O-CB 3.44Å; P204-I207 PolarHBondContact O-N 3.32Å; V205-I207 PolarHBondContact O-N 3.04Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 2.75Å; I207-K210 PolarHBondContact O-N 3.09Å; I207-P254 HydrophobicContact CD1-CG 4.11Å
208	L	98.3	Very high	98.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-32.8	-175.6	-62.2	-175.7	0	0	0	113.2	D91 I200 P204 V205 K210 T211 I213 L218 L221	D91-L208 HydrophobicContact CB-CD2 4.5Å; I200-L208 HydrophobicContact CD1-CD2 3.88Å; P204-L208 PolarHBondContact O-N 3.44Å; V205-L208 PolarHBondContact O-N 2.91Å; V205-L208 VanDerWaalsContact O-N 3.14Å; L208-K210 PolarHBondContact O-N 3.44Å; L208-T211 WeakPolarHBondContact O-CB 3.39Å; L208-T211 PolarHBondContact O-N 3.28Å; L208-T211 PolarHBondContact O-OG1 3.47Å; L208-I213 HydrophobicContact CD1-CD1 4.33Å; L208-I213 WeakPolarHBondContact O-CG2 3.48Å; L208-L218 HydrophobicContact CB-CD1 3.73Å; L208-L221 HydrophobicContact CD1-CD1 3.88Å
209	K	97.8	Very high	98.1	Very high	91 Å²	91	34.5 Å²	34.5	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-15.3	-179.2	75.3	-175.4	-177	-170	0	114.5	V205 D206 I207 L218 K481	V205-K209 WeakPolarHBondContact O-CB 3.39Å; V205-K209 PolarHBondContact O-N 3.05Å; D206-K209 VanDerWaalsContact OD1-CE 3.32Å; D206-K209 WeakPolarHBondContact OD1-CE 3.37Å; D206-K209 IonicContact OD1-NZ 3.24Å; D206-K209 PolarHBondContact OD1-NZ 2.85Å; I207-K209 VanDerWaalsContact C-N 3.34Å; I207-K209 PolarHBondContact O-N 2.75Å; K209-L218 HydrophobicContact CB-CD1 4.4Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; K209-K481 VanDerWaalsContact O-CG 3.24Å; K209-K481 WeakPolarHBondContact O-CG 3.24Å
210	K	97.8	Very high	98.1	Very high	145 Å²	145	35.6 Å²	35.6	63%	0.63	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	2	177.2	-58.2	-179	-176.2	177.6	0	113.2	I207 L208 P482	I207-K210 PolarHBondContact O-N 3.09Å; L208-K210 PolarHBondContact O-N 3.44Å; K210-P482 WeakPolarHBondContact O-CD 3.33Å
211	T	98.6	Very high	98.1	Very high	16 Å²	16	36 Å²	36	10%	0.098	19%	0.185	C	C	.	.	S	Bend	trans	-99.2	-179.3	-178.2	71.7	0	0	0	0	111.8	P90 D91 L208 I213 K481	P90-T211 WeakPolarHBondContact O-CB 3.46Å; D91-T211 HydrophobicContact CB-CG2 4.31Å; L208-T211 WeakPolarHBondContact O-CB 3.39Å; L208-T211 PolarHBondContact O-N 3.28Å; L208-T211 PolarHBondContact O-OG1 3.47Å; T211-I213 VanDerWaalsContact C-N 3.3Å; T211-I213 WeakPolarHBondContact OG1-CB 3.28Å; T211-I213 VanDerWaalsContact OG1-CG2 3.32Å; T211-I213 WeakPolarHBondContact OG1-CG2 3.16Å; T211-I213 PolarHBondContact OG1-N 3.3Å; T211-K481 WeakPolarHBondContact O-CE 3.47Å; T211-K481 WeakPolarHBondContact O-CG 3.47Å
212	D	98.4	Very high	98	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.07	21%	0.209	C	C	.	.	S	Bend	trans	-90.2	19.1	173.5	79.5	-29.1	0	0	0	113.8	P90 K96 R483 K485	P90-D212 WeakPolarHBondContact CA-OD1 3.42Å; P90-D212 WeakPolarHBondContact CB-OD1 3.44Å; K96-D212 IonicContact NZ-OD2 3.67Å; D212-R483 HydrophobicContact CB-CG 3.7Å; D212-K485 VanDerWaalsContact CG-NZ 3.29Å; D212-K485 PolarHBondContact O-NZ 3.22Å; D212-K485 IonicContact OD1-NZ 2.67Å; D212-K485 WeakPolarHBondContact OD2-CE 3.35Å; D212-K485 IonicContact OD2-NZ 3.1Å; D212-K485 PolarHBondContact OD2-NZ 2.95Å
213	I	98.8	Very high	98	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.			trans	-55.9	147.8	169.7	-165.2	169.8	0	0	0	109.6	P90 Y167 I200 L208 T211 A217 L218 L221 K481	P90-I213 HydrophobicContact CB-CB 3.86Å; P90-I213 HydrophobicContact CG-CB 3.8Å; P90-I213 HydrophobicContact CG-CD1 4.35Å; P90-I213 HydrophobicContact CG-CG1 4.12Å; Y167-I213 WeakPolarHBondContact O-CG1 3.32Å; I200-I213 HydrophobicContact CG2-CD1 4.45Å; L208-I213 HydrophobicContact CD1-CD1 4.33Å; L208-I213 WeakPolarHBondContact O-CG2 3.48Å; T211-I213 VanDerWaalsContact C-N 3.3Å; T211-I213 WeakPolarHBondContact OG1-CB 3.28Å; T211-I213 VanDerWaalsContact OG1-CG2 3.32Å; T211-I213 WeakPolarHBondContact OG1-CG2 3.16Å; T211-I213 PolarHBondContact OG1-N 3.3Å; I213-A217 HydrophobicContact CG1-CB 4.33Å; I213-L218 HydrophobicContact CG2-CB 4.21Å; I213-L218 HydrophobicContact CG2-CD1 4.23Å; I213-L221 HydrophobicContact CD1-CD1 3.66Å; I213-K481 VanDerWaalsContact O-CE 3.24Å; I213-K481 WeakPolarHBondContact O-CE 3.35Å; I213-K481 PolarHBondContact O-NZ 3.28Å
214	T	98.6	Very high	98	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.			trans	-67.3	147.8	176.6	56	0	0	0	0	111.7	W166 Y167 G169 H216 A217 L218 L487	W166-T214 PolarHBondContact O-OG1 3.42Å; Y167-T214 PolarHBondContact O-N 2.83Å; Y167-T214 PolarHBondContact O-OG1 3.17Å; G169-T214 VanDerWaalsContact N-CG2 3.33Å; T214-H216 VanDerWaalsContact CB-CE1 3.43Å; T214-H216 WeakPolarHBondContact CB-CE1 3.13Å; T214-H216 PolarHBondContact O-N 3.23Å; T214-H216 PolarHBondContact OG1-CE1 3.3Å; T214-H216 PolarHBondContact OG1-ND1 3.26Å; T214-H216 PolarHBondContact OG1-NE2 3.47Å; T214-A217 PolarHBondContact O-N 3.09Å; T214-A217 WeakPolarHBondContact OG1-CB 3.29Å; T214-A217 PolarHBondContact OG1-N 3.49Å; T214-L218 PolarHBondContact O-N 3.33Å; T214-L487 HydrophobicContact CG2-CD2 3.74Å
215	Q	98.1	Very high	98.1	Very high	47 Å²	47	47.3 Å²	47.3	22%	0.22	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-46	177.7	-173.4	67.5	56.7	0	0	112	A217 L218 D219 E484	Q215-A217 VanDerWaalsContact C-N 3.27Å; Q215-A217 PolarHBondContact O-N 3.23Å; Q215-L218 WeakPolarHBondContact O-CB 3.21Å; Q215-L218 PolarHBondContact O-N 3.35Å; Q215-L218 VanDerWaalsContact O-N 3.1Å; Q215-D219 PolarHBondContact NE2-OD1 3.35Å; Q215-D219 PolarHBondContact O-N 2.99Å; Q215-E484 WeakPolarHBondContact CB-OE1 3.48Å; Q215-E484 PolarHBondContact N-OE1 3.03Å
216	H	96.8	Very high	98.1	Very high	53 Å²	53	45.3 Å²	45.3	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-62.2	-34.1	-177.7	70.7	-95.9	0	0	0	112.7	W166 T214 A220 L487	W166-H216 AromaticContact CD1-CD2 3.71Å; W166-H216 AromaticContact CD1-NE2 3.22Å; W166-H216 AromaticContact CE2-CD2 3.99Å; W166-H216 AromaticContact NE1-CD2 3.22Å; W166-H216 PolarHBondContact NE1-CD2 3.04Å; W166-H216 AromaticContact NE1-NE2 3.26Å; W166-H216 PolarHBondContact NE1-NE2 3.43Å; W166-H216 PolarHBondContact O-NE2 2.86Å; T214-H216 VanDerWaalsContact CB-CE1 3.43Å; T214-H216 WeakPolarHBondContact CB-CE1 3.13Å; T214-H216 PolarHBondContact O-N 3.23Å; T214-H216 PolarHBondContact OG1-CE1 3.3Å; T214-H216 PolarHBondContact OG1-ND1 3.26Å; T214-H216 PolarHBondContact OG1-NE2 3.47Å; H216-A220 PolarHBondContact O-N 2.68Å; H216-A220 VanDerWaalsContact O-N 3.14Å; H216-L487 WeakPolarHBondContact CE1-CD1 3.28Å; H216-L487 WeakPolarHBondContact ND1-CD1 3.45Å
217	A	98.4	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-74.3	-37	176.1	0	0	0	0	0	111.5	W166 I213 T214 Q215 D219 A220 L221	W166-A217 HydrophobicContact CD2-CB 4.04Å; W166-A217 HydrophobicContact CE3-CB 4.15Å; W166-A217 HydrophobicContact CH2-CB 3.73Å; W166-A217 VanDerWaalsContact CZ2-CA 3.46Å; W166-A217 HydrophobicContact CZ2-CB 3.63Å; W166-A217 HydrophobicContact CZ3-CB 3.99Å; I213-A217 HydrophobicContact CG1-CB 4.33Å; T214-A217 PolarHBondContact O-N 3.09Å; T214-A217 WeakPolarHBondContact OG1-CB 3.29Å; T214-A217 PolarHBondContact OG1-N 3.49Å; Q215-A217 VanDerWaalsContact C-N 3.27Å; Q215-A217 PolarHBondContact O-N 3.23Å; A217-D219 VanDerWaalsContact C-N 3.33Å; A217-A220 PolarHBondContact O-N 3.2Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.37Å; A217-L221 WeakPolarHBondContact O-CG 3.43Å; A217-L221 PolarHBondContact O-N 3.03Å
218	L	98.5	Very high	98.3	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.052	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-41.9	173.2	-173.4	67.9	0	0	0	111.7	V205 L208 K209 I213 T214 Q215 L221 A222	V205-L218 HydrophobicContact CG1-CD1 3.86Å; V205-L218 HydrophobicContact CG1-CG 4.37Å; L208-L218 HydrophobicContact CB-CD1 3.73Å; K209-L218 HydrophobicContact CB-CD1 4.4Å; K209-L218 HydrophobicContact CB-CD2 3.76Å; I213-L218 HydrophobicContact CG2-CB 4.21Å; I213-L218 HydrophobicContact CG2-CD1 4.23Å; T214-L218 PolarHBondContact O-N 3.33Å; Q215-L218 WeakPolarHBondContact O-CB 3.21Å; Q215-L218 PolarHBondContact O-N 3.35Å; Q215-L218 VanDerWaalsContact O-N 3.1Å; L218-L221 PolarHBondContact O-N 3.22Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.23Å
219	D	98.1	Very high	98.3	Very high	77 Å²	77	44.5 Å²	44.5	41%	0.412	22%	0.223	S	C	.	.	H	α-helix	trans	-63.1	-47.4	177.7	-61.2	-20.6	0	0	0	110.5	Q215 A217 L221 A222 E223	Q215-D219 PolarHBondContact NE2-OD1 3.35Å; Q215-D219 PolarHBondContact O-N 2.99Å; A217-D219 VanDerWaalsContact C-N 3.33Å; D219-L221 VanDerWaalsContact C-N 3.33Å; D219-L221 PolarHBondContact O-N 2.77Å; D219-A222 WeakPolarHBondContact O-CB 3.36Å; D219-A222 PolarHBondContact O-N 3.08Å; D219-A222 VanDerWaalsContact O-N 3.13Å; D219-E223 PolarHBondContact O-N 2.82Å
220	A	98.3	Very high	98.4	Very high	28 Å²	28	40.4 Å²	40.4	23%	0.231	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-38.5	175.1	0	0	0	0	0	113	W166 L180 H216 A217 A222 E223 S224	W166-A220 HydrophobicContact CH2-CB 3.99Å; W166-A220 HydrophobicContact CZ2-CB 3.74Å; L180-A220 HydrophobicContact CD1-CB 4.38Å; H216-A220 PolarHBondContact O-N 2.68Å; H216-A220 VanDerWaalsContact O-N 3.14Å; A217-A220 PolarHBondContact O-N 3.2Å; A220-A222 VanDerWaalsContact C-N 3.31Å; A220-E223 PolarHBondContact O-N 2.49Å; A220-S224 PolarHBondContact O-N 2.8Å
221	L	98.5	Very high	98.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-69.5	-28.6	176.1	-73.1	166.4	0	0	0	112.5	L180 I200 L201 L208 I213 A217 L218 D219 E223 S224	L180-L221 HydrophobicContact CD1-CD2 3.92Å; L180-L221 HydrophobicContact CD1-CG 4.4Å; I200-L221 HydrophobicContact CG2-CD1 3.71Å; I200-L221 HydrophobicContact CG2-CD2 4.41Å; L201-L221 HydrophobicContact CD2-CD2 4.36Å; L208-L221 HydrophobicContact CD1-CD1 3.88Å; I213-L221 HydrophobicContact CD1-CD1 3.66Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 WeakPolarHBondContact O-CD1 3.37Å; A217-L221 WeakPolarHBondContact O-CG 3.43Å; A217-L221 PolarHBondContact O-N 3.03Å; L218-L221 PolarHBondContact O-N 3.22Å; D219-L221 VanDerWaalsContact C-N 3.33Å; D219-L221 PolarHBondContact O-N 2.77Å; L221-E223 VanDerWaalsContact C-N 3.31Å; L221-S224 VanDerWaalsContact O-CB 3.29Å; L221-S224 WeakPolarHBondContact O-CB 3.31Å; L221-S224 PolarHBondContact O-N 2.82Å
222	A	98.2	Very high	98.4	Very high	62 Å²	62	32.9 Å²	32.9	51%	0.512	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-31	175.1	0	0	0	0	0	112.5	V205 L218 D219 A220	V205-A222 HydrophobicContact CG1-CB 4.3Å; V205-A222 HydrophobicContact CG2-CB 4.16Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.23Å; D219-A222 WeakPolarHBondContact O-CB 3.36Å; D219-A222 PolarHBondContact O-N 3.08Å; D219-A222 VanDerWaalsContact O-N 3.13Å; A220-A222 VanDerWaalsContact C-N 3.31Å
223	E	98.1	Very high	98.4	Very high	166 Å²	166	32.5 Å²	32.5	78%	0.776	17%	0.171	S	C	*	.	S	Bend	trans	-90.4	-0.9	176	-63.2	178.9	-179.5	0	0	113.2	D219 A220 L221 S225	D219-E223 PolarHBondContact O-N 2.82Å; A220-E223 PolarHBondContact O-N 2.49Å; L221-E223 VanDerWaalsContact C-N 3.31Å; E223-S225 PolarHBondContact O-N 3.11Å
224	S	98.5	Very high	98.2	Very high	6 Å²	6	40 Å²	40	4%	0.042	20%	0.2	C	C	.	.			trans	-65.4	130.5	-175.6	177.7	0	0	0	0	113.5	A220 L221 V226 R227	A220-S224 PolarHBondContact O-N 2.8Å; L221-S224 VanDerWaalsContact O-CB 3.29Å; L221-S224 WeakPolarHBondContact O-CB 3.31Å; L221-S224 PolarHBondContact O-N 2.82Å; S224-V226 WeakPolarHBondContact OG-CB 3.4Å; S224-V226 PolarHBondContact OG-N 3.4Å; S224-V226 VanDerWaalsContact OG-N 3.14Å; S224-R227 PolarHBondContact O-NH1 3.42Å
225	S	98.4	Very high	98.1	Very high	52 Å²	52	44.1 Å²	44.1	36%	0.364	22%	0.215	S	C	.	.			trans	-90.8	-1.1	170.4	-64.5	0	0	0	0	112.8	L180 S181 C182 E223 R227	L180-S225 PolarHBondContact O-N 2.87Å; S181-S225 WeakPolarHBondContact O-CB 3.3Å; C182-S225 CarbonylContact O-C 3.56Å; C182-S225 VanDerWaalsContact O-C 3.26Å; E223-S225 PolarHBondContact O-N 3.11Å; S225-R227 VanDerWaalsContact C-NH1 3.27Å; S225-R227 WeakPolarHBondContact O-CG 3.27Å; S225-R227 PolarHBondContact O-N 2.63Å; S225-R227 VanDerWaalsContact O-N 3.16Å; S225-R227 PolarHBondContact O-NH1 2.6Å
226	V	98.7	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.			trans	-61.1	122.9	178.9	180	0	0	0	0	109.3	C182 E183 A185 L202 S224 V229	C182-V226 VanDerWaalsContact O-CA 3.29Å; C182-V226 WeakPolarHBondContact O-CA 3.36Å; C182-V226 WeakPolarHBondContact O-CG2 3.06Å; C182-V226 PolarHBondContact O-N 2.91Å; C182-V226 VanDerWaalsContact O-N 3.15Å; E183-V226 WeakPolarHBondContact O-CA 3.33Å; A185-V226 HydrophobicContact CB-CG1 4.18Å; L202-V226 HydrophobicContact CD2-CG1 4.29Å; S224-V226 WeakPolarHBondContact OG-CB 3.4Å; S224-V226 PolarHBondContact OG-N 3.4Å; S224-V226 VanDerWaalsContact OG-N 3.14Å; V226-V229 HydrophobicContact CG1-CG2 4.12Å
227	R	98.5	Very high	97.9	Very high	83 Å²	83	40 Å²	40	31%	0.313	20%	0.198	S	C	.	.			trans	-119.7	-23.3	175.3	-61.1	-59.2	174.2	-94.4	-3	112.2	E183 S224 S225 R307 A308	E183-R227 HydrophobicContact CG-CB 4Å; E183-R227 HydrophobicContact CG-CG 4.26Å; E183-R227 PolarHBondContact O-N 3.44Å; S224-R227 PolarHBondContact O-NH1 3.42Å; S225-R227 VanDerWaalsContact C-NH1 3.27Å; S225-R227 WeakPolarHBondContact O-CG 3.27Å; S225-R227 PolarHBondContact O-N 2.63Å; S225-R227 VanDerWaalsContact O-N 3.16Å; S225-R227 PolarHBondContact O-NH1 2.6Å; R227-R307 CarbonylContact O-C 3.56Å; R227-R307 VanDerWaalsContact O-CA 3.24Å; R227-R307 WeakPolarHBondContact O-CA 2.95Å; R227-A308 PolarHBondContact O-N 3.1Å
228	R	98.6	Very high	97.6	Very high	78 Å²	78	42.3 Å²	42.3	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.4	-176.8	-166.6	177.4	-176.6	-150.8	4	111.7	E183 T184 A185 E259 A308	E183-R228 PolarHBondContact O-N 2.87Å; T184-R228 WeakPolarHBondContact CA-O 3.35Å; T184-R228 HydrophobicContact CG2-CB 4.44Å; A185-R228 PolarHBondContact N-O 3.13Å; R228-E259 IonicContact CZ-OE1 3.15Å; R228-E259 VanDerWaalsContact CZ-OE1 3.29Å; R228-E259 IonicContact NE-OE1 3.63Å; R228-E259 PolarHBondContact NE-OE1 3Å; R228-E259 IonicContact NH2-OE1 3.58Å; R228-E259 PolarHBondContact NH2-OE1 3.48Å; R228-A308 VanDerWaalsContact CA-O 3.31Å; R228-A308 WeakPolarHBondContact CA-O 3.09Å
229	V	98.9	Very high	97.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	122	172.3	177.9	0	0	0	0	111	A185 I187 A198 L201 L202 V226 I231 A308 W309 G310	A185-V229 HydrophobicContact CB-CG2 4.32Å; A185-V229 CarbonylContact O-C 3.58Å; A185-V229 WeakPolarHBondContact O-CA 3.09Å; I187-V229 HydrophobicContact CD1-CG1 3.51Å; I187-V229 HydrophobicContact CG1-CG1 3.95Å; A198-V229 HydrophobicContact CB-CB 4.48Å; A198-V229 HydrophobicContact CB-CG1 3.75Å; L201-V229 HydrophobicContact CB-CG2 4.19Å; L201-V229 HydrophobicContact CD1-CG2 4.15Å; L202-V229 HydrophobicContact CD1-CB 3.89Å; L202-V229 HydrophobicContact CD1-CG2 3.71Å; L202-V229 HydrophobicContact CD2-CG2 3.8Å; L202-V229 HydrophobicContact CG-CB 4.38Å; L202-V229 HydrophobicContact CG-CG2 3.64Å; V226-V229 HydrophobicContact CG1-CG2 4.12Å; V229-I231 HydrophobicContact CG1-CG1 4.14Å; V229-A308 PolarHBondContact N-O 3.35Å; V229-W309 CarbonylContact O-C 3.6Å; V229-W309 VanDerWaalsContact O-CA 3.23Å; V229-W309 WeakPolarHBondContact O-CA 3.39Å; V229-G310 PolarHBondContact O-N 3.49Å
230	L	98.7	Very high	97.3	Very high	6 Å²	6	40.4 Å²	40.4	3%	0.031	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.2	178.5	-159.2	66.2	0	0	0	111	A185 V186 I187 V232 R312 V357	A185-L230 PolarHBondContact O-N 3.35Å; V186-L230 CarbonylContact C-O 3.57Å; V186-L230 WeakPolarHBondContact CA-O 3.37Å; V186-L230 HydrophobicContact CG2-CB 4.22Å; V186-L230 HydrophobicContact CG2-CD2 4.49Å; I187-L230 PolarHBondContact N-O 2.68Å; L230-V232 HydrophobicContact CD2-CG2 4.17Å; L230-V232 HydrophobicContact CG-CG2 4.09Å; L230-R312 HydrophobicContact CD1-CG 3.39Å; L230-R312 HydrophobicContact CD2-CG 3.65Å; L230-R312 HydrophobicContact CG-CB 4.45Å; L230-R312 HydrophobicContact CG-CG 3.51Å; L230-V357 HydrophobicContact CD2-CG1 3.88Å; L230-V357 HydrophobicContact CD2-CG2 4.29Å
231	I	98.8	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	99.9	-175.6	-47	179.5	0	0	0	109.5	I187 G189 Q190 A194 L195 A198 V229 W309 G310 F311 R312	I187-I231 CarbonylContact O-C 3.59Å; I187-I231 WeakPolarHBondContact O-CA 3.4Å; G189-I231 VanDerWaalsContact O-CG2 3.25Å; G189-I231 WeakPolarHBondContact O-CG2 3.2Å; Q190-I231 HydrophobicContact CG-CG2 4.04Å; Q190-I231 PolarHBondContact NE2-O 2.69Å; A194-I231 HydrophobicContact CB-CG2 4Å; L195-I231 HydrophobicContact CD2-CD1 3.66Å; A198-I231 HydrophobicContact CB-CD1 3.85Å; A198-I231 HydrophobicContact CB-CG1 4.49Å; V229-I231 HydrophobicContact CG1-CG1 4.14Å; I231-W309 HydrophobicContact CD1-CE3 4.44Å; I231-G310 PolarHBondContact N-O 3.44Å; I231-F311 HydrophobicContact CB-CD1 3.71Å; I231-F311 HydrophobicContact CB-CE1 3.97Å; I231-F311 HydrophobicContact CD1-CE1 4.23Å; I231-F311 HydrophobicContact CG2-CD1 3.87Å; I231-F311 HydrophobicContact CG2-CE1 3.77Å; I231-F311 WeakPolarHBondContact O-CA 3.2Å; I231-R312 PolarHBondContact O-N 2.87Å
232	V	98.6	Very high	97	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.8	-165.3	-176.8	0	0	0	0	110.6	V186 I187 L188 G189 L230 R312 R315 L334	V186-V232 HydrophobicContact CG1-CG2 3.66Å; I187-V232 PolarHBondContact O-N 2.78Å; L188-V232 HydrophobicContact CD2-CB 3.96Å; L188-V232 HydrophobicContact CD2-CG1 4.19Å; G189-V232 PolarHBondContact N-O 3.39Å; L230-V232 HydrophobicContact CD2-CG2 4.17Å; L230-V232 HydrophobicContact CG-CG2 4.09Å; V232-R312 CarbonylContact C-O 3.5Å; V232-R312 WeakPolarHBondContact CA-O 3.15Å; V232-R312 HydrophobicContact CG2-CB 4.28Å; V232-R315 HydrophobicContact CG1-CB 3.43Å; V232-R315 VanDerWaalsContact CG1-CB 3.43Å; V232-R315 HydrophobicContact CG1-CG 4.42Å; V232-L334 HydrophobicContact CG1-CD1 3.98Å; V232-L334 HydrophobicContact CG1-CD2 4.23Å; V232-L334 HydrophobicContact CG2-CD1 4.31Å
233	G	97.5	Very high	96.9	Very high	5 Å²	5	42.4 Å²	42.4	5%	0.052	21%	0.21	C	C	.	.			trans	-121.5	137.5	177	0	0	0	0	0	112.5	Q190 R235 R312 F313 L314 R315	Q190-G233 VanDerWaalsContact CD-CA 3.42Å; G233-R235 PolarHBondContact O-N 3.12Å; G233-R312 PolarHBondContact N-O 3.09Å; G233-F313 CarbonylContact O-C 3.58Å; G233-L314 PolarHBondContact O-N 3.36Å; G233-R315 CarbonylContact C-O 3.52Å; G233-R315 VanDerWaalsContact C-O 3.26Å; G233-R315 PolarHBondContact O-N 3.37Å
234	R	96.3	Very high	96.8	Very high	158 Å²	158	37.1 Å²	37.1	60%	0.596	19%	0.186	S	C	*	.	S	Bend	trans	-68.8	-14.3	175.9	66.9	176.8	-175.1	178.7	2.2	114.9	R315 K316 A348	R234-R315 WeakPolarHBondContact CA-O 3.33Å; R234-R315 PolarHBondContact N-O 3.48Å; R234-R315 VanDerWaalsContact N-O 3.16Å; R234-K316 HydrophobicContact CB-CB 4.38Å; R234-A348 WeakPolarHBondContact O-CB 3.45Å
235	R	95.9	Very high	96.7	Very high	86 Å²	86	40.6 Å²	40.6	33%	0.325	20%	0.201	S	C	.	.	S	Bend	trans	-119.2	-178.3	-179.4	-69.6	-179.3	-57.8	-177.5	5.9	110	G233 Q239 L314 L339 A348	G233-R235 PolarHBondContact O-N 3.12Å; R235-Q239 HydrophobicContact CB-CB 3.71Å; R235-Q239 HydrophobicContact CB-CG 4.12Å; R235-Q239 HydrophobicContact CG-CB 4.49Å; R235-L314 PolarHBondContact O-N 3.14Å; R235-L314 VanDerWaalsContact O-N 3.08Å; R235-L339 HydrophobicContact CB-CD2 4.12Å; R235-L339 HydrophobicContact CG-CD2 4.09Å; R235-A348 HydrophobicContact CG-CB 4.23Å
236	G	94.8	Very high	96.6	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	19%	0.189	C	C	.	.			trans	-84.2	178.4	-177.9	0	0	0	0	0	114.3	L238 Q239	G236-L238 PolarHBondContact O-N 2.75Å; G236-Q239 PolarHBondContact O-N 2.8Å; G236-Q239 PolarHBondContact O-OE1 2.72Å
237	P	94.9	Very high	96.6	Very high	9 Å²	9	39.3 Å²	39.3	6%	0.058	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-60.4	-30.5	-177.9	-23.9	34.1	0	0	0	113.7	Q239 V240 E264 F265 I268 R279 L286 F313	P237-Q239 PolarHBondContact O-N 3.44Å; P237-Q239 VanDerWaalsContact O-N 3.14Å; P237-V240 PolarHBondContact O-N 3.29Å; P237-E264 WeakPolarHBondContact CG-O 3.46Å; P237-F265 HydrophobicContact CB-CD1 4.26Å; P237-F265 HydrophobicContact CB-CE1 3.9Å; P237-F265 HydrophobicContact CG-CD1 4.04Å; P237-F265 HydrophobicContact CG-CE1 3.83Å; P237-F265 HydrophobicContact CG-CZ 4.41Å; P237-I268 HydrophobicContact CB-CD1 3.57Å; P237-I268 HydrophobicContact CG-CD1 3.37Å; P237-R279 PolarHBondContact O-NH2 2.85Å; P237-L286 HydrophobicContact CB-CD2 3.75Å; P237-F313 VanDerWaalsContact CA-CE1 3.48Å; P237-F313 HydrophobicContact CB-CD1 4.42Å; P237-F313 HydrophobicContact CB-CE1 3.98Å; P237-F313 HydrophobicContact CB-CE2 4.29Å; P237-F313 HydrophobicContact CB-CZ 3.89Å; P237-F313 HydrophobicContact CG-CD1 3.93Å; P237-F313 HydrophobicContact CG-CD2 3.74Å; P237-F313 HydrophobicContact CG-CE1 3.9Å; P237-F313 HydrophobicContact CG-CE2 3.7Å; P237-F313 HydrophobicContact CG-CG 3.84Å; P237-F313 HydrophobicContact CG-CZ 3.76Å
238	L	93.7	Very high	96.6	Very high	49 Å²	49	41 Å²	41	26%	0.257	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.3	-7.8	175	-66	-177.5	0	0	0	114	G236 I268 T271 L275 R279 T283	G236-L238 PolarHBondContact O-N 2.75Å; L238-I268 HydrophobicContact CD2-CG2 4.01Å; L238-I268 HydrophobicContact CG-CG2 4.45Å; L238-T271 HydrophobicContact CD1-CG2 4.25Å; L238-L275 HydrophobicContact CD2-CD1 3.9Å; L238-R279 PolarHBondContact O-NE 3.34Å; L238-R279 VanDerWaalsContact O-NE 3.13Å; L238-R279 PolarHBondContact O-NH2 3.16Å; L238-T283 HydrophobicContact CD2-CG2 3.94Å
239	Q	94.3	Very high	96.5	Very high	42 Å²	42	39.8 Å²	39.8	20%	0.196	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-115.2	8.3	179.1	-63.4	82	33.5	0	0	115	R235 G236 P237 A241	R235-Q239 HydrophobicContact CB-CB 3.71Å; R235-Q239 HydrophobicContact CB-CG 4.12Å; R235-Q239 HydrophobicContact CG-CB 4.49Å; G236-Q239 PolarHBondContact O-N 2.8Å; G236-Q239 PolarHBondContact O-OE1 2.72Å; P237-Q239 PolarHBondContact O-N 3.44Å; P237-Q239 VanDerWaalsContact O-N 3.14Å; Q239-A241 PolarHBondContact O-N 3.31Å
240	V	95.2	Very high	96.5	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.03	19%	0.193	C	C	.	.			trans	-54	140.1	172.1	-60.4	0	0	0	0	110.9	Q190 P237 R279 L282 F313	Q190-V240 HydrophobicContact CB-CB 4.4Å; Q190-V240 HydrophobicContact CB-CG1 4.21Å; P237-V240 PolarHBondContact O-N 3.29Å; V240-R279 PolarHBondContact O-NH1 2.98Å; V240-R279 PolarHBondContact O-NH2 2.78Å; V240-L282 HydrophobicContact CG2-CD2 3.88Å; V240-L282 HydrophobicContact CG2-CG 4.48Å; V240-F313 HydrophobicContact CG1-CE1 3.67Å; V240-F313 HydrophobicContact CG1-CZ 4.29Å
241	A	94.7	Very high	96.4	Very high	75 Å²	75	40.1 Å²	40.1	62%	0.62	20%	0.195	S	C	*	.			trans	-97.5	-8	-178.8	0	0	0	0	0	112.8	Q190 Q239	Q190-A241 CarbonylContact O-C 3.53Å; Q190-A241 WeakPolarHBondContact O-CA 3.34Å; Q190-A241 PolarHBondContact O-N 2.74Å; Q239-A241 PolarHBondContact O-N 3.31Å
242	C	96	Very high	96.2	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.02	22%	0.22	C	C	.	.			trans	-68.9	152	176.5	63.5	0	0	0	0	112.1	Q190 N192 L195 L282	Q190-C242 PolarHBondContact O-N 2.96Å; N192-C242 WeakPolarHBondContact OD1-CA 3.34Å; L195-C242 HydrophobicContact CD1-CB 3.51Å; L195-C242 HydrophobicContact CG-CB 4.24Å; C242-L282 VanDerWaalsContact O-CD2 3.28Å; C242-L282 WeakPolarHBondContact O-CD2 3.38Å
243	T	95.4	Very high	96.2	Very high	61 Å²	61	45.1 Å²	45.1	37%	0.374	22%	0.222	S	C	.	.			trans	-94.4	163.6	174.5	37.9	0	0	0	0	111.8	N192 K245 E246 L247	N192-T243 PolarHBondContact ND2-OG1 2.72Å; N192-T243 PolarHBondContact OD1-N 2.68Å; N192-T243 PolarHBondContact OD1-OG1 3.49Å; T243-K245 VanDerWaalsContact C-N 3.31Å; T243-K245 PolarHBondContact O-N 3.36Å; T243-E246 WeakPolarHBondContact CB-OE2 3.37Å; T243-E246 PolarHBondContact O-N 3.04Å; T243-E246 PolarHBondContact OG1-OE1 2.95Å; T243-E246 PolarHBondContact OG1-OE2 2.85Å; T243-L247 PolarHBondContact O-N 3.21Å; T243-L247 VanDerWaalsContact O-N 3.15Å
244	I	96.8	Very high	96.2	Very high	55 Å²	55	48.1 Å²	48.1	28%	0.282	24%	0.24	S	C	.	.	H	α-helix	trans	-68.1	-27	-171.1	-167.5	174.2	0	0	0	113.5	R248 R281 L282 L285	I244-R248 WeakPolarHBondContact O-CB 3.32Å; I244-R248 PolarHBondContact O-N 2.81Å; I244-R281 HydrophobicContact CD1-CB 3.7Å; I244-R281 WeakPolarHBondContact CD1-O 3.49Å; I244-L282 HydrophobicContact CB-CB 4.47Å; I244-L282 HydrophobicContact CB-CD1 4.16Å; I244-L285 HydrophobicContact CG1-CD2 3.93Å
245	K	95.8	Very high	96.2	Very high	78 Å²	78	42.5 Å²	42.5	34%	0.339	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-52.3	178.2	178.7	-166.5	-175.7	-91.9	0	109.4	E94 T243 R248 E249	E94-K245 IonicContact OE1-NZ 3.17Å; E94-K245 PolarHBondContact OE1-NZ 3.18Å; T243-K245 VanDerWaalsContact C-N 3.31Å; T243-K245 PolarHBondContact O-N 3.36Å; K245-R248 WeakPolarHBondContact O-CB 3.16Å; K245-R248 PolarHBondContact O-N 3.09Å; K245-R248 VanDerWaalsContact O-N 3.17Å; K245-E249 VanDerWaalsContact CE-OE1 3.32Å; K245-E249 WeakPolarHBondContact CE-OE1 3.5Å; K245-E249 IonicContact NZ-OE1 3.61Å; K245-E249 PolarHBondContact NZ-OE1 2.77Å; K245-E249 IonicContact NZ-OE2 3.13Å; K245-E249 WeakPolarHBondContact O-CG 3.33Å; K245-E249 PolarHBondContact O-N 2.93Å
246	E	96.8	Very high	96.3	Very high	24 Å²	24	38.4 Å²	38.4	11%	0.112	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-40.9	-175.6	-62.4	74.5	-172.9	0	0	110.3	N192 L195 T243 R248 E249 M250	N192-E246 HydrophobicContact CB-CG 4.2Å; N192-E246 PolarHBondContact ND2-OE1 3.48Å; L195-E246 HydrophobicContact CD1-CB 3.79Å; T243-E246 WeakPolarHBondContact CB-OE2 3.37Å; T243-E246 PolarHBondContact O-N 3.04Å; T243-E246 PolarHBondContact OG1-OE1 2.95Å; T243-E246 PolarHBondContact OG1-OE2 2.85Å; E246-R248 VanDerWaalsContact C-N 3.33Å; E246-R248 PolarHBondContact O-N 2.76Å; E246-E249 PolarHBondContact O-N 3.09Å; E246-M250 PolarHBondContact O-N 3.06Å
247	L	98.1	Very high	96.4	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-62.4	-41.7	173	-179.1	61.3	0	0	0	111.6	L195 T243 M250 V251 L282 L285 L286 W309 F311	L195-L247 HydrophobicContact CD1-CB 4.41Å; T243-L247 PolarHBondContact O-N 3.21Å; T243-L247 VanDerWaalsContact O-N 3.15Å; L247-M250 PolarHBondContact O-N 3.13Å; L247-V251 HydrophobicContact CD1-CG2 4.39Å; L247-V251 HydrophobicContact CG-CG2 4.45Å; L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.08Å; L247-V251 PolarHBondContact O-N 3.18Å; L247-L282 HydrophobicContact CB-CD1 4.17Å; L247-L282 HydrophobicContact CD2-CD1 3.61Å; L247-L285 HydrophobicContact CB-CD2 4.28Å; L247-L285 HydrophobicContact CD2-CB 4.41Å; L247-L285 HydrophobicContact CD2-CD2 4.03Å; L247-L285 HydrophobicContact CD2-CG 4.1Å; L247-L285 HydrophobicContact CG-CD2 3.96Å; L247-L285 HydrophobicContact CG-CG 4.33Å; L247-L286 HydrophobicContact CD1-CD1 4.34Å; L247-L286 HydrophobicContact CD2-CB 4.12Å; L247-L286 HydrophobicContact CD2-CD1 4.11Å; L247-W309 HydrophobicContact CD1-CH2 3.78Å; L247-W309 HydrophobicContact CD1-CZ3 4.34Å; L247-F311 HydrophobicContact CD1-CE2 3.79Å; L247-F311 HydrophobicContact CD1-CZ 4.27Å
248	R	98	Very high	96.5	Very high	118 Å²	118	42.5 Å²	42.5	45%	0.445	23%	0.231	S	C	.	.	H	α-helix	trans	-65.7	-40.8	179.5	-176.4	179.2	-56.8	-78.2	-7.8	112	I244 K245 E246 M250 V251 N252 L285	I244-R248 WeakPolarHBondContact O-CB 3.32Å; I244-R248 PolarHBondContact O-N 2.81Å; K245-R248 WeakPolarHBondContact O-CB 3.16Å; K245-R248 PolarHBondContact O-N 3.09Å; K245-R248 VanDerWaalsContact O-N 3.17Å; E246-R248 VanDerWaalsContact C-N 3.33Å; E246-R248 PolarHBondContact O-N 2.76Å; R248-M250 VanDerWaalsContact C-N 3.3Å; R248-V251 PolarHBondContact O-N 3.26Å; R248-N252 WeakPolarHBondContact O-CB 3.43Å; R248-N252 VanDerWaalsContact O-CG 3.32Å; R248-N252 PolarHBondContact O-N 3.3Å; R248-N252 PolarHBondContact O-ND2 2.9Å; R248-L285 HydrophobicContact CB-CD2 3.83Å
249	E	97.7	Very high	96.5	Very high	54 Å²	54	42.9 Å²	42.9	25%	0.252	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-41.6	173.5	-71.9	167	-179.7	0	0	111.1	H92 K245 E246 N252 L253	H92-E249 IonicContact CD2-OE2 2.76Å; H92-E249 IonicContact CE1-OE2 3.12Å; H92-E249 IonicContact NE2-OE1 3.53Å; H92-E249 IonicContact NE2-OE2 2.96Å; H92-E249 PolarHBondContact NE2-OE2 3.23Å; K245-E249 VanDerWaalsContact CE-OE1 3.32Å; K245-E249 WeakPolarHBondContact CE-OE1 3.5Å; K245-E249 IonicContact NZ-OE1 3.61Å; K245-E249 PolarHBondContact NZ-OE1 2.77Å; K245-E249 IonicContact NZ-OE2 3.13Å; K245-E249 WeakPolarHBondContact O-CG 3.33Å; K245-E249 PolarHBondContact O-N 2.93Å; E246-E249 PolarHBondContact O-N 3.09Å; E249-N252 CarbonylContact O-C 3.38Å; E249-N252 PolarHBondContact O-N 2.6Å; E249-L253 PolarHBondContact O-N 3.27Å
250	M	98.1	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-43.5	176.1	-163.5	69.6	-158.6	0	0	112.8	L195 A198 R199 L202 E246 L247 R248 N252 L253 W309	L195-M250 HydrophobicContact CD2-CB 4.38Å; L195-M250 HydrophobicContact CD2-CG 4.23Å; A198-M250 HydrophobicContact CB-CE 3.95Å; A198-M250 HydrophobicContact CB-SD 4.17Å; R199-M250 HydrophobicContact CB-SD 4.14Å; L202-M250 HydrophobicContact CD1-CE 3.8Å; E246-M250 PolarHBondContact O-N 3.06Å; L247-M250 PolarHBondContact O-N 3.13Å; R248-M250 VanDerWaalsContact C-N 3.3Å; M250-N252 VanDerWaalsContact C-N 3.27Å; M250-N252 PolarHBondContact O-N 2.9Å; M250-L253 HydrophobicContact CE-CD2 4.02Å; M250-L253 WeakPolarHBondContact O-CB 3.37Å; M250-L253 PolarHBondContact O-N 3.38Å; M250-L253 HydrophobicContact SD-CD2 4.21Å; M250-W309 HydrophobicContact CB-CH2 4.25Å; M250-W309 HydrophobicContact CB-CZ2 4.04Å; M250-W309 HydrophobicContact CE-CB 3.55Å; M250-W309 HydrophobicContact CE-CD2 3.75Å; M250-W309 HydrophobicContact CE-CE3 4.43Å; M250-W309 HydrophobicContact CE-CG 3.3Å; M250-W309 HydrophobicContact CG-CD2 3.57Å; M250-W309 VanDerWaalsContact CG-CE2 3.44Å; M250-W309 HydrophobicContact CG-CE3 3.83Å; M250-W309 HydrophobicContact CG-CG 4.15Å; M250-W309 HydrophobicContact CG-CH2 3.89Å; M250-W309 HydrophobicContact CG-CZ2 3.62Å; M250-W309 HydrophobicContact CG-CZ3 3.98Å; M250-W309 PolarHBondContact O-NE1 3.5Å
251	V	96.8	Very high	96.4	Very high	12 Å²	12	45.5 Å²	45.5	7%	0.073	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-38.2	176.5	169.5	0	0	0	0	111.8	L247 R248 A289 R301 W309	L247-V251 HydrophobicContact CD1-CG2 4.39Å; L247-V251 HydrophobicContact CG-CG2 4.45Å; L247-V251 VanDerWaalsContact O-CG2 3.32Å; L247-V251 WeakPolarHBondContact O-CG2 3.08Å; L247-V251 PolarHBondContact O-N 3.18Å; R248-V251 PolarHBondContact O-N 3.26Å; V251-A289 HydrophobicContact CG2-CB 3.86Å; V251-R301 PolarHBondContact O-NH2 3.1Å; V251-W309 HydrophobicContact CB-CZ2 4.46Å; V251-W309 HydrophobicContact CG2-CH2 4.11Å; V251-W309 HydrophobicContact CG2-CZ2 3.8Å
252	N	96.1	Very high	96.2	Very high	99 Å²	99	44.9 Å²	44.9	53%	0.529	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	7.9	-176.9	-64.8	-24.5	0	0	0	113.5	R248 E249 M250 P254	R248-N252 WeakPolarHBondContact O-CB 3.43Å; R248-N252 VanDerWaalsContact O-CG 3.32Å; R248-N252 PolarHBondContact O-N 3.3Å; R248-N252 PolarHBondContact O-ND2 2.9Å; E249-N252 CarbonylContact O-C 3.38Å; E249-N252 PolarHBondContact O-N 2.6Å; M250-N252 VanDerWaalsContact C-N 3.27Å; M250-N252 PolarHBondContact O-N 2.9Å; N252-P254 WeakPolarHBondContact O-CD 3.41Å
253	L	97.6	Very high	96	Very high	9 Å²	9	47.9 Å²	47.9	5%	0.047	26%	0.259	C	S	.	.			trans	-65.6	120.8	-174.6	-177.6	64.4	0	0	0	110.6	R199 L202 S203 E249 M250 T256 R301	R199-L253 HydrophobicContact CG-CD1 4Å; R199-L253 HydrophobicContact CG-CD2 4.12Å; L202-L253 HydrophobicContact CB-CD2 3.98Å; S203-L253 WeakPolarHBondContact OG-CD1 3.37Å; E249-L253 PolarHBondContact O-N 3.27Å; M250-L253 HydrophobicContact CE-CD2 4.02Å; M250-L253 WeakPolarHBondContact O-CB 3.37Å; M250-L253 PolarHBondContact O-N 3.38Å; M250-L253 HydrophobicContact SD-CD2 4.21Å; L253-T256 HydrophobicContact CB-CG2 4.24Å; L253-T256 WeakPolarHBondContact CB-OG1 3.09Å; L253-T256 HydrophobicContact CD2-CG2 3.69Å; L253-T256 HydrophobicContact CG-CG2 3.8Å; L253-T256 PolarHBondContact O-N 3.47Å; L253-T256 PolarHBondContact O-OG1 2.98Å; L253-R301 PolarHBondContact O-NH1 2.91Å
254	P	96.8	Very high	95.8	Very high	68 Å²	68	46.4 Å²	46.4	44%	0.442	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	141.5	-176.1	-27.1	36.8	0	0	0	113	P204 I207 N252 T256	P204-P254 HydrophobicContact CG-CB 4.4Å; I207-P254 HydrophobicContact CD1-CG 4.11Å; N252-P254 WeakPolarHBondContact O-CD 3.41Å; P254-T256 PolarHBondContact O-N 2.73Å
255	G	96.6	Very high	95.6	Very high	40 Å²	40	44.1 Å²	44.1	41%	0.412	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.7	-179.1	0	0	0	0	0	114.8	A305 E306 R307	G255-A305 WeakPolarHBondContact O-CB 3.45Å; G255-E306 PolarHBondContact O-N 3.48Å; G255-R307 PolarHBondContact O-N 3.04Å
256	T	98.3	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.9	-179.3	78.6	0	0	0	0	113.8	L202 L253 P254 R301 R307	L202-T256 HydrophobicContact CB-CG2 4.02Å; L253-T256 HydrophobicContact CB-CG2 4.24Å; L253-T256 WeakPolarHBondContact CB-OG1 3.09Å; L253-T256 HydrophobicContact CD2-CG2 3.69Å; L253-T256 HydrophobicContact CG-CG2 3.8Å; L253-T256 PolarHBondContact O-N 3.47Å; L253-T256 PolarHBondContact O-OG1 2.98Å; P254-T256 PolarHBondContact O-N 2.73Å; T256-R301 PolarHBondContact O-NH1 2.97Å; T256-R301 PolarHBondContact O-NH2 3Å; T256-R307 CarbonylContact C-O 3.47Å; T256-R307 WeakPolarHBondContact CA-O 3.21Å; T256-R307 HydrophobicContact CG2-CB 4.01Å
257	R	97.3	Very high	95	Very high	86 Å²	86	48.6 Å²	48.6	33%	0.325	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	144.4	171.1	61	179	-180	74.3	4.4	111.8	E259 R302 A305 R307 A308 W309	R257-E259 IonicContact CZ-OE2 3.46Å; R257-E259 IonicContact NH1-OE2 2.86Å; R257-E259 PolarHBondContact NH1-OE2 2.89Å; R257-E259 IonicContact NH2-OE2 2.72Å; R257-E259 PolarHBondContact NH2-OE2 3.33Å; R257-E259 VanDerWaalsContact NH2-OE2 3.13Å; R257-R302 HydrophobicContact CB-CB 4.04Å; R257-R302 HydrophobicContact CB-CG 3.99Å; R257-R302 WeakPolarHBondContact CD-O 3.48Å; R257-A305 HydrophobicContact CB-CB 3.93Å; R257-A305 HydrophobicContact CG-CB 4.05Å; R257-R307 PolarHBondContact N-O 3.25Å; R257-A308 HydrophobicContact CG-CB 4.15Å; R257-A308 WeakPolarHBondContact O-CA 3.34Å; R257-W309 PolarHBondContact O-N 3.22Å
258	P	96.6	Very high	94.7	Very high	13 Å²	13	49.1 Å²	49.1	8%	0.084	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	141.9	167.7	30.2	-32.9	0	0	0	110.5	M260 W309	P258-M260 HydrophobicContact CB-CE 3.79Å; P258-W309 CarbonylContact C-O 3.43Å; P258-W309 VanDerWaalsContact CA-O 3.29Å; P258-W309 WeakPolarHBondContact CA-O 3.24Å; P258-W309 HydrophobicContact CB-CZ2 4.05Å
259	E	94.4	Very high	94.4	Very high	58 Å²	58	46.1 Å²	46.1	27%	0.271	27%	0.273	S	S	.	.			trans	-136.4	105.8	176.4	-173.3	179.3	123.9	0	0	108.6	R228 R257 A308 W309 G310	R228-E259 IonicContact CZ-OE1 3.15Å; R228-E259 VanDerWaalsContact CZ-OE1 3.29Å; R228-E259 IonicContact NE-OE1 3.63Å; R228-E259 PolarHBondContact NE-OE1 3Å; R228-E259 IonicContact NH2-OE1 3.58Å; R228-E259 PolarHBondContact NH2-OE1 3.48Å; R257-E259 IonicContact CZ-OE2 3.46Å; R257-E259 IonicContact NH1-OE2 2.86Å; R257-E259 PolarHBondContact NH1-OE2 2.89Å; R257-E259 IonicContact NH2-OE2 2.72Å; R257-E259 PolarHBondContact NH2-OE2 3.33Å; R257-E259 VanDerWaalsContact NH2-OE2 3.13Å; E259-A308 HydrophobicContact CB-CB 4.46Å; E259-W309 PolarHBondContact N-O 3.01Å; E259-G310 WeakPolarHBondContact O-CA 3.48Å
260	M	93.9	Very high	94.1	Very high	26 Å²	26	50.1 Å²	50.1	13%	0.128	29%	0.292	C	S	.	.			trans	-140.2	153	-175.1	-71.8	179.8	-91.3	0	0	109.8	P258 F265 L286 A289 A290 W309 F311	P258-M260 HydrophobicContact CB-CE 3.79Å; M260-F265 HydrophobicContact CB-CE2 3.98Å; M260-F265 HydrophobicContact SD-CE2 4.22Å; M260-F265 HydrophobicContact SD-CZ 3.79Å; M260-L286 HydrophobicContact SD-CD1 4.16Å; M260-A289 HydrophobicContact CE-CB 3.8Å; M260-A290 HydrophobicContact CB-CB 3.96Å; M260-A290 HydrophobicContact CE-CB 3.86Å; M260-A290 HydrophobicContact SD-CB 3.92Å; M260-W309 HydrophobicContact CE-CH2 4.5Å; M260-F311 HydrophobicContact SD-CB 4.23Å; M260-F311 HydrophobicContact SD-CD2 3.92Å
261	E	91.8	Very high	93.6	Very high	76 Å²	76	52 Å²	52	36%	0.355	30%	0.303	S	S	.	.			trans	-84.6	123.5	177.3	-94.7	166.9	-137.1	0	0	111	S263 E264 F265 R312	E261-S263 PolarHBondContact O-N 2.9Å; E261-E264 HydrophobicContact CB-CG 3.9Å; E261-E264 WeakPolarHBondContact O-CB 3.43Å; E261-E264 PolarHBondContact O-N 3.27Å; E261-E264 VanDerWaalsContact O-N 3.09Å; E261-F265 VanDerWaalsContact O-CD2 3.28Å; E261-F265 WeakPolarHBondContact O-CD2 3.48Å; E261-R312 IonicContact OE1-CZ 2.72Å; E261-R312 IonicContact OE1-NH1 2.78Å; E261-R312 PolarHBondContact OE1-NH1 2.94Å; E261-R312 IonicContact OE1-NH2 3.98Å; E261-R312 PolarHBondContact OE1-NH2 3.32Å; E261-R312 IonicContact OE2-NH1 3.39Å
262	A	91	Very high	93.4	Very high	62 Å²	62	52.7 Å²	52.7	51%	0.512	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-60.4	-33.5	-178.9	0	0	0	0	0	113	E264 F265 I291	A262-E264 PolarHBondContact O-N 3.36Å; A262-F265 PolarHBondContact O-N 2.93Å; A262-I291 HydrophobicContact CB-CG2 3.86Å
263	S	91.6	Very high	93.1	Very high	65 Å²	65	57.4 Å²	57.4	46%	0.455	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.4	176.7	51.5	0	0	0	0	113	E261 F265 E266	E261-S263 PolarHBondContact O-N 2.9Å; S263-F265 PolarHBondContact O-N 3.36Å; S263-E266 PolarHBondContact O-N 2.64Å
264	E	92.1	Very high	92.8	Very high	30 Å²	30	61.9 Å²	61.9	14%	0.14	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-71.2	-8.8	177	-60.1	-173.7	117.7	0	0	113	P237 E261 A262 R312 F313	P237-E264 WeakPolarHBondContact CG-O 3.46Å; E261-E264 HydrophobicContact CB-CG 3.9Å; E261-E264 WeakPolarHBondContact O-CB 3.43Å; E261-E264 PolarHBondContact O-N 3.27Å; E261-E264 VanDerWaalsContact O-N 3.09Å; A262-E264 PolarHBondContact O-N 3.36Å; E264-R312 IonicContact OE2-NH1 3.53Å; E264-F313 HydrophobicContact CB-CD2 3.98Å; E264-F313 PolarHBondContact OE1-N 2.92Å
265	F	93.2	Very high	92.5	Very high	7 Å²	7	60.6 Å²	60.6	3%	0.031	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-112.2	2.4	-178.9	-63.8	-86.2	0	0	0	114.2	P237 M260 E261 A262 S263 G267 I268 L286 L287 A290 I291 F313	P237-F265 HydrophobicContact CB-CD1 4.26Å; P237-F265 HydrophobicContact CB-CE1 3.9Å; P237-F265 HydrophobicContact CG-CD1 4.04Å; P237-F265 HydrophobicContact CG-CE1 3.83Å; P237-F265 HydrophobicContact CG-CZ 4.41Å; M260-F265 HydrophobicContact CB-CE2 3.98Å; M260-F265 HydrophobicContact SD-CE2 4.22Å; M260-F265 HydrophobicContact SD-CZ 3.79Å; E261-F265 VanDerWaalsContact O-CD2 3.28Å; E261-F265 WeakPolarHBondContact O-CD2 3.48Å; A262-F265 PolarHBondContact O-N 2.93Å; S263-F265 PolarHBondContact O-N 3.36Å; F265-G267 PolarHBondContact O-N 3.32Å; F265-I268 HydrophobicContact CB-CD1 4.49Å; F265-I268 HydrophobicContact CD1-CD1 4.11Å; F265-I268 WeakPolarHBondContact O-CB 3.36Å; F265-I268 WeakPolarHBondContact O-CG1 3.49Å; F265-I268 PolarHBondContact O-N 3.32Å; F265-L286 HydrophobicContact CE1-CD2 3.77Å; F265-L286 HydrophobicContact CE1-CG 3.67Å; F265-L286 HydrophobicContact CZ-CD2 4.43Å; F265-L286 HydrophobicContact CZ-CG 4.17Å; F265-L287 HydrophobicContact CB-CD2 3.91Å; F265-L287 HydrophobicContact CD1-CD2 3.79Å; F265-L287 HydrophobicContact CG-CD2 4.21Å; F265-A290 HydrophobicContact CD1-CB 4.4Å; F265-A290 HydrophobicContact CD2-CB 3.73Å; F265-A290 HydrophobicContact CE1-CB 4.1Å; F265-A290 HydrophobicContact CE2-CB 3.38Å; F265-A290 HydrophobicContact CG-CB 4.23Å; F265-A290 HydrophobicContact CZ-CB 3.55Å; F265-I291 HydrophobicContact CB-CG2 4.07Å; F265-I291 HydrophobicContact CD2-CG2 4.27Å; F265-I291 HydrophobicContact CG-CG2 4.34Å; F265-F313 HydrophobicContact CE1-CE2 4.17Å; F265-F313 HydrophobicContact CE2-CE2 4.14Å; F265-F313 HydrophobicContact CZ-CD2 4.45Å; F265-F313 AromaticContact CZ-CE2 3.56Å; F265-F313 HydrophobicContact CZ-CE2 3.56Å; F265-F313 HydrophobicContact CZ-CZ 4.22Å
266	E	90.6	Very high	92.4	Very high	153 Å²	153	62 Å²	62	72%	0.715	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	135.7	175.8	-72.2	176.3	-163.2	0	0	111.2	S263 I268	S263-E266 PolarHBondContact O-N 2.64Å; E266-I268 PolarHBondContact O-N 3.44Å
267	G	89.1	Confident	92.3	Very high	43 Å²	43	70.1 Å²	70.1	44%	0.443	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-3.8	178.6	0	0	0	0	0	115.5	F265 E270	F265-G267 PolarHBondContact O-N 3.32Å; G267-E270 WeakPolarHBondContact CA-OE2 3.47Å
268	I	91.5	Very high	92.1	Very high	12 Å²	12	70.9 Å²	70.9	6%	0.062	40%	0.398	C	S	.	.	H	α-helix	trans	-80.1	-35.8	-175.7	-60.8	-168.9	0	0	0	112	P237 L238 F265 E266 E270 T271 T283 L287	P237-I268 HydrophobicContact CB-CD1 3.57Å; P237-I268 HydrophobicContact CG-CD1 3.37Å; L238-I268 HydrophobicContact CD2-CG2 4.01Å; L238-I268 HydrophobicContact CG-CG2 4.45Å; F265-I268 HydrophobicContact CB-CD1 4.49Å; F265-I268 HydrophobicContact CD1-CD1 4.11Å; F265-I268 WeakPolarHBondContact O-CB 3.36Å; F265-I268 WeakPolarHBondContact O-CG1 3.49Å; F265-I268 PolarHBondContact O-N 3.32Å; E266-I268 PolarHBondContact O-N 3.44Å; I268-E270 PolarHBondContact O-N 2.86Å; I268-T271 PolarHBondContact O-N 3.45Å; I268-T271 PolarHBondContact O-OG1 3.44Å; I268-T283 HydrophobicContact CG2-CG2 3.52Å; I268-L287 HydrophobicContact CB-CD2 4.21Å; I268-L287 HydrophobicContact CG2-CD1 4.27Å; I268-L287 HydrophobicContact CG2-CD2 4.16Å; I268-L287 HydrophobicContact CG2-CG 4.45Å
269	A	90.7	Very high	91.9	Very high	55 Å²	55	73.2 Å²	73.2	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-60.1	-35.9	-179.1	0	0	0	0	0	112	T271 L272	A269-T271 VanDerWaalsContact C-N 3.27Å; A269-T271 PolarHBondContact O-N 3.18Å; A269-L272 WeakPolarHBondContact O-CB 3.29Å; A269-L272 WeakPolarHBondContact O-CG 3.32Å; A269-L272 PolarHBondContact O-N 3.47Å
270	E	91.4	Very high	92	Very high	139 Å²	139	74 Å²	74	65%	0.65	41%	0.408	S	S	*	.	H	α-helix	trans	-64.6	-32.3	177	-62.2	86.5	169.7	0	0	111.9	G267 I268 L272	G267-E270 WeakPolarHBondContact CA-OE2 3.47Å; I268-E270 PolarHBondContact O-N 2.86Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.03Å
271	T	89	Confident	92.2	Very high	40 Å²	40	78.8 Å²	78.8	25%	0.245	43%	0.425	C	S	.	.	H	α-helix	trans	-75.5	-17.8	-179.1	71.7	0	0	0	0	113.6	L238 I268 A269 K273 S274	L238-T271 HydrophobicContact CD1-CG2 4.25Å; I268-T271 PolarHBondContact O-N 3.45Å; I268-T271 PolarHBondContact O-OG1 3.44Å; A269-T271 VanDerWaalsContact C-N 3.27Å; A269-T271 PolarHBondContact O-N 3.18Å; T271-K273 PolarHBondContact O-N 3.24Å; T271-S274 PolarHBondContact O-N 2.92Å; T271-S274 PolarHBondContact O-OG 2.81Å
272	L	91.3	Very high	92.4	Very high	25 Å²	25	75.6 Å²	75.6	13%	0.131	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.8	-174.7	-70.7	176.6	0	0	0	113.9	A269 E270 S274 L275 K280 T283 E284 L287	A269-L272 WeakPolarHBondContact O-CB 3.29Å; A269-L272 WeakPolarHBondContact O-CG 3.32Å; A269-L272 PolarHBondContact O-N 3.47Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.03Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.1Å; L272-L275 HydrophobicContact CD2-CD1 4.23Å; L272-K280 HydrophobicContact CD2-CG 4.45Å; L272-K280 WeakPolarHBondContact O-CD 3.47Å; L272-T283 HydrophobicContact CD2-CG2 3.59Å; L272-E284 HydrophobicContact CD1-CG 4.09Å; L272-E284 HydrophobicContact CD2-CG 4.1Å; L272-L287 HydrophobicContact CD1-CD1 3.85Å; L272-L287 HydrophobicContact CD2-CD1 4.23Å; L272-L287 HydrophobicContact CG-CD1 4.25Å
273	K	91	Very high	92.6	Very high	198 Å²	198	72.7 Å²	72.7	86%	0.861	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.7	-179	-66.8	180	-177.1	173.7	0	113	T271	T271-K273 PolarHBondContact O-N 3.24Å
274	S	90.3	Very high	92.9	Very high	103 Å²	103	73.3 Å²	73.3	72%	0.72	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.3	-179	64.3	0	0	0	0	113.5	T271 L272	T271-S274 PolarHBondContact O-N 2.92Å; T271-S274 PolarHBondContact O-OG 2.81Å; L272-S274 VanDerWaalsContact C-N 3.32Å; L272-S274 PolarHBondContact O-N 3.1Å
275	L	91.5	Very high	93.1	Very high	41 Å²	41	72.7 Å²	72.7	22%	0.215	38%	0.379	C	S	.	.	S	Bend	trans	-79.2	140.1	-176.9	-61.9	179.9	0	0	0	112.6	L238 L272 R279 K280 T283	L238-L275 HydrophobicContact CD2-CD1 3.9Å; L272-L275 HydrophobicContact CD2-CD1 4.23Å; L275-R279 HydrophobicContact CB-CB 4.4Å; L275-R279 HydrophobicContact CD1-CG 4.16Å; L275-R279 HydrophobicContact CD2-CG 4.22Å; L275-K280 HydrophobicContact CB-CB 4Å; L275-T283 HydrophobicContact CD1-CG2 4.44Å
276	A	94.1	Very high	93.2	Very high	71 Å²	71	72.5 Å²	72.5	59%	0.587	38%	0.378	S	S	*	.			trans	-58.5	146.6	168.3	0	0	0	0	0	111.2	P278 R279 K280	A276-P278 VanDerWaalsContact C-CD 3.48Å; A276-P278 VanDerWaalsContact O-N 3.12Å; A276-R279 PolarHBondContact O-N 2.81Å; A276-K280 PolarHBondContact O-N 2.94Å
277	R	95.1	Very high	93.4	Very high	169 Å²	169	65.5 Å²	65.5	64%	0.638	35%	0.346	S	S	*	.	H	α-helix	trans	-47.6	-44.9	-172.3	-176	-177.9	-177.7	-168.3	3	115	R281	R277-R281 VanDerWaalsContact NH2-NH2 3.13Å; R277-R281 WeakPolarHBondContact O-CG 3.16Å; R277-R281 PolarHBondContact O-N 3.13Å; R277-R281 VanDerWaalsContact O-N 3.17Å
278	P	92.9	Very high	93.6	Very high	103 Å²	103	69.3 Å²	69.3	67%	0.669	35%	0.35	S	S	*	.	H	α-helix	trans	-63.5	-43.4	178	-22.7	35.1	0	0	0	112.8	A276 L282	A276-P278 VanDerWaalsContact C-CD 3.48Å; A276-P278 VanDerWaalsContact O-N 3.12Å; P278-L282 PolarHBondContact O-N 3.16Å
279	R	93.9	Very high	93.7	Very high	61 Å²	61	69 Å²	69	23%	0.23	35%	0.349	C	S	.	.	H	α-helix	trans	-68.2	-44.5	178.8	-169.1	74.6	-166.5	168.1	8.9	111.1	P237 L238 V240 L275 A276 R281 L282 T283	P237-R279 PolarHBondContact O-NH2 2.85Å; L238-R279 PolarHBondContact O-NE 3.34Å; L238-R279 VanDerWaalsContact O-NE 3.13Å; L238-R279 PolarHBondContact O-NH2 3.16Å; V240-R279 PolarHBondContact O-NH1 2.98Å; V240-R279 PolarHBondContact O-NH2 2.78Å; L275-R279 HydrophobicContact CB-CB 4.4Å; L275-R279 HydrophobicContact CD1-CG 4.16Å; L275-R279 HydrophobicContact CD2-CG 4.22Å; A276-R279 PolarHBondContact O-N 2.81Å; R279-R281 PolarHBondContact O-N 3.07Å; R279-L282 WeakPolarHBondContact O-CB 3.47Å; R279-L282 PolarHBondContact O-N 3.37Å; R279-T283 PolarHBondContact O-N 3.16Å; R279-T283 PolarHBondContact O-OG1 3.25Å; R279-T283 VanDerWaalsContact O-OG1 3.06Å
280	K	96.1	Very high	93.8	Very high	74 Å²	74	67.4 Å²	67.4	32%	0.322	34%	0.336	S	S	.	.	H	α-helix	trans	-53.1	-51.9	177.4	-177.4	176	176.7	170.3	0	111.8	L272 L275 A276 L282 T283 E284	L272-K280 HydrophobicContact CD2-CG 4.45Å; L272-K280 WeakPolarHBondContact O-CD 3.47Å; L275-K280 HydrophobicContact CB-CB 4Å; A276-K280 PolarHBondContact O-N 2.94Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.15Å; K280-T283 PolarHBondContact O-N 3.28Å; K280-E284 WeakPolarHBondContact CE-OE1 3.21Å; K280-E284 HydrophobicContact CG-CG 4.42Å; K280-E284 VanDerWaalsContact O-CG 3.32Å; K280-E284 WeakPolarHBondContact O-CG 3.05Å; K280-E284 PolarHBondContact O-N 2.84Å
281	R	97	Very high	93.6	Very high	128 Å²	128	64.5 Å²	64.5	48%	0.483	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-35.4	-179.7	-73.7	-179.4	163.2	-168.3	-8.6	113.7	I244 R277 R279 L285	I244-R281 HydrophobicContact CD1-CB 3.7Å; I244-R281 WeakPolarHBondContact CD1-O 3.49Å; R277-R281 VanDerWaalsContact NH2-NH2 3.13Å; R277-R281 WeakPolarHBondContact O-CG 3.16Å; R277-R281 PolarHBondContact O-N 3.13Å; R277-R281 VanDerWaalsContact O-N 3.17Å; R279-R281 PolarHBondContact O-N 3.07Å; R281-L285 PolarHBondContact O-N 3.12Å
282	L	97	Very high	93.5	Very high	8 Å²	8	67.5 Å²	67.5	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-48.1	174.9	174.6	67.7	0	0	0	110.5	V240 C242 I244 L247 P278 R279 K280 L285 L286	V240-L282 HydrophobicContact CG2-CD2 3.88Å; V240-L282 HydrophobicContact CG2-CG 4.48Å; C242-L282 VanDerWaalsContact O-CD2 3.28Å; C242-L282 WeakPolarHBondContact O-CD2 3.38Å; I244-L282 HydrophobicContact CB-CB 4.47Å; I244-L282 HydrophobicContact CB-CD1 4.16Å; L247-L282 HydrophobicContact CB-CD1 4.17Å; L247-L282 HydrophobicContact CD2-CD1 3.61Å; P278-L282 PolarHBondContact O-N 3.16Å; R279-L282 WeakPolarHBondContact O-CB 3.47Å; R279-L282 PolarHBondContact O-N 3.37Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.15Å; L282-L285 PolarHBondContact O-N 2.87Å; L282-L286 PolarHBondContact O-N 3.23Å
283	T	96.1	Very high	93.2	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.012	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-40.8	178.8	-52.9	0	0	0	0	111.7	L238 I268 L272 L275 R279 K280 L285 L286 L287	L238-T283 HydrophobicContact CD2-CG2 3.94Å; I268-T283 HydrophobicContact CG2-CG2 3.52Å; L272-T283 HydrophobicContact CD2-CG2 3.59Å; L275-T283 HydrophobicContact CD1-CG2 4.44Å; R279-T283 PolarHBondContact O-N 3.16Å; R279-T283 PolarHBondContact O-OG1 3.25Å; R279-T283 VanDerWaalsContact O-OG1 3.06Å; K280-T283 PolarHBondContact O-N 3.28Å; T283-L285 PolarHBondContact O-N 3.13Å; T283-L286 WeakPolarHBondContact O-CB 3.39Å; T283-L286 PolarHBondContact O-N 3.16Å; T283-L287 HydrophobicContact CG2-CD1 4.22Å; T283-L287 HydrophobicContact CG2-CG 4.46Å; T283-L287 WeakPolarHBondContact O-CG 3.2Å; T283-L287 PolarHBondContact O-N 3.23Å
284	E	96.4	Very high	93.1	Very high	78 Å²	78	64.5 Å²	64.5	36%	0.364	34%	0.336	S	S	.	.	H	α-helix	trans	-57.9	-46	174.1	-75.6	167.6	169.3	0	0	111.8	L272 K280 L286 L287 K288	L272-E284 HydrophobicContact CD1-CG 4.09Å; L272-E284 HydrophobicContact CD2-CG 4.1Å; K280-E284 WeakPolarHBondContact CE-OE1 3.21Å; K280-E284 HydrophobicContact CG-CG 4.42Å; K280-E284 VanDerWaalsContact O-CG 3.32Å; K280-E284 WeakPolarHBondContact O-CG 3.05Å; K280-E284 PolarHBondContact O-N 2.84Å; E284-L286 VanDerWaalsContact C-N 3.29Å; E284-L286 PolarHBondContact O-N 2.86Å; E284-L287 PolarHBondContact O-N 2.82Å; E284-K288 WeakPolarHBondContact O-CB 3.27Å; E284-K288 PolarHBondContact O-N 3.07Å
285	L	96.8	Very high	93.2	Very high	17 Å²	17	62.2 Å²	62.2	9%	0.089	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-38.1	176.8	178.2	61.2	0	0	0	111.9	I244 L247 R248 R281 L282 T283 K288 A289	I244-L285 HydrophobicContact CG1-CD2 3.93Å; L247-L285 HydrophobicContact CB-CD2 4.28Å; L247-L285 HydrophobicContact CD2-CB 4.41Å; L247-L285 HydrophobicContact CD2-CD2 4.03Å; L247-L285 HydrophobicContact CD2-CG 4.1Å; L247-L285 HydrophobicContact CG-CD2 3.96Å; L247-L285 HydrophobicContact CG-CG 4.33Å; R248-L285 HydrophobicContact CB-CD2 3.83Å; R281-L285 PolarHBondContact O-N 3.12Å; L282-L285 PolarHBondContact O-N 2.87Å; T283-L285 PolarHBondContact O-N 3.13Å; L285-K288 PolarHBondContact O-N 2.83Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.25Å
286	L	96	Very high	93.3	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-67.6	-45.2	179.2	-170.2	66.4	0	0	0	111.6	P237 L247 M260 F265 L282 T283 E284 K288 A289 A290 F311 F313	P237-L286 HydrophobicContact CB-CD2 3.75Å; L247-L286 HydrophobicContact CD1-CD1 4.34Å; L247-L286 HydrophobicContact CD2-CB 4.12Å; L247-L286 HydrophobicContact CD2-CD1 4.11Å; M260-L286 HydrophobicContact SD-CD1 4.16Å; F265-L286 HydrophobicContact CE1-CD2 3.77Å; F265-L286 HydrophobicContact CE1-CG 3.67Å; F265-L286 HydrophobicContact CZ-CD2 4.43Å; F265-L286 HydrophobicContact CZ-CG 4.17Å; L282-L286 PolarHBondContact O-N 3.23Å; T283-L286 WeakPolarHBondContact O-CB 3.39Å; T283-L286 PolarHBondContact O-N 3.16Å; E284-L286 VanDerWaalsContact C-N 3.29Å; E284-L286 PolarHBondContact O-N 2.86Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.84Å; L286-A289 PolarHBondContact O-N 3.04Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 3.43Å; L286-F311 HydrophobicContact CD1-CD2 3.61Å; L286-F311 HydrophobicContact CD1-CE2 3.61Å; L286-F313 HydrophobicContact CD2-CZ 4.24Å
287	L	94.9	Very high	93.2	Very high	6 Å²	6	72.7 Å²	72.7	3%	0.031	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-45.7	173.5	-70.7	168.8	0	0	0	111	F265 I268 L272 T283 E284 A289 A290 I291 E292	F265-L287 HydrophobicContact CB-CD2 3.91Å; F265-L287 HydrophobicContact CD1-CD2 3.79Å; F265-L287 HydrophobicContact CG-CD2 4.21Å; I268-L287 HydrophobicContact CB-CD2 4.21Å; I268-L287 HydrophobicContact CG2-CD1 4.27Å; I268-L287 HydrophobicContact CG2-CD2 4.16Å; I268-L287 HydrophobicContact CG2-CG 4.45Å; L272-L287 HydrophobicContact CD1-CD1 3.85Å; L272-L287 HydrophobicContact CD2-CD1 4.23Å; L272-L287 HydrophobicContact CG-CD1 4.25Å; T283-L287 HydrophobicContact CG2-CD1 4.22Å; T283-L287 HydrophobicContact CG2-CG 4.46Å; T283-L287 WeakPolarHBondContact O-CG 3.2Å; T283-L287 PolarHBondContact O-N 3.23Å; E284-L287 PolarHBondContact O-N 2.82Å; L287-A289 VanDerWaalsContact C-N 3.27Å; L287-A289 PolarHBondContact O-N 3.41Å; L287-A290 PolarHBondContact O-N 3Å; L287-A290 VanDerWaalsContact O-N 3.16Å; L287-I291 HydrophobicContact CB-CD1 4.44Å; L287-I291 HydrophobicContact CB-CG1 4.34Å; L287-I291 HydrophobicContact CD2-CD1 3.79Å; L287-I291 HydrophobicContact CD2-CG1 4.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.18Å; L287-I291 PolarHBondContact O-N 3.47Å; L287-E292 PolarHBondContact O-N 2.87Å
288	K	93.6	Very high	93	Very high	124 Å²	124	67 Å²	67	54%	0.539	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-38.2	175.9	177.5	168.5	-177	175.7	0	113	E284 L285 L286 E292	E284-K288 WeakPolarHBondContact O-CB 3.27Å; E284-K288 PolarHBondContact O-N 3.07Å; L285-K288 PolarHBondContact O-N 2.83Å; L286-K288 VanDerWaalsContact C-N 3.34Å; L286-K288 PolarHBondContact O-N 2.84Å; K288-E292 HydrophobicContact CB-CG 4.45Å; K288-E292 HydrophobicContact CG-CB 4.44Å; K288-E292 WeakPolarHBondContact CG-OE2 3.26Å
289	A	93	Very high	93	Very high	4 Å²	4	65.6 Å²	65.6	3%	0.033	33%	0.331	C	S	.	.	H	α-helix	trans	-71.6	-35.6	177.9	0	0	0	0	0	112.4	V251 M260 L285 L286 L287 R302	V251-A289 HydrophobicContact CG2-CB 3.86Å; M260-A289 HydrophobicContact CE-CB 3.8Å; L285-A289 WeakPolarHBondContact O-CB 3.4Å; L285-A289 PolarHBondContact O-N 3.25Å; L286-A289 PolarHBondContact O-N 3.04Å; L287-A289 VanDerWaalsContact C-N 3.27Å; L287-A289 PolarHBondContact O-N 3.41Å; A289-R302 PolarHBondContact O-NH1 3.41Å
290	A	91.7	Very high	93	Very high	22 Å²	22	68.2 Å²	68.2	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-90	-46	-171.4	0	0	0	0	0	114.9	M260 F265 L286 L287	M260-A290 HydrophobicContact CB-CB 3.96Å; M260-A290 HydrophobicContact CE-CB 3.86Å; M260-A290 HydrophobicContact SD-CB 3.92Å; F265-A290 HydrophobicContact CD1-CB 4.4Å; F265-A290 HydrophobicContact CD2-CB 3.73Å; F265-A290 HydrophobicContact CE1-CB 4.1Å; F265-A290 HydrophobicContact CE2-CB 3.38Å; F265-A290 HydrophobicContact CG-CB 4.23Å; F265-A290 HydrophobicContact CZ-CB 3.55Å; L286-A290 WeakPolarHBondContact O-CB 3.34Å; L286-A290 PolarHBondContact O-N 3.43Å; L287-A290 PolarHBondContact O-N 3Å; L287-A290 VanDerWaalsContact O-N 3.16Å
291	I	88.7	Confident	92.9	Very high	78 Å²	78	67.3 Å²	67.3	40%	0.4	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-23.1	-166.2	60.8	166.1	0	0	0	114.7	A262 F265 L287	A262-I291 HydrophobicContact CB-CG2 3.86Å; F265-I291 HydrophobicContact CB-CG2 4.07Å; F265-I291 HydrophobicContact CD2-CG2 4.27Å; F265-I291 HydrophobicContact CG-CG2 4.34Å; L287-I291 HydrophobicContact CB-CD1 4.44Å; L287-I291 HydrophobicContact CB-CG1 4.34Å; L287-I291 HydrophobicContact CD2-CD1 3.79Å; L287-I291 HydrophobicContact CD2-CG1 4.3Å; L287-I291 WeakPolarHBondContact O-CG1 3.18Å; L287-I291 PolarHBondContact O-N 3.47Å
292	E	85.9	Confident	92.7	Very high	103 Å²	103	63 Å²	63	48%	0.481	32%	0.324	S	S	.	.	S	Bend	trans	-74.7	134.5	179.4	-68.1	-179.9	-163.4	0	0	110.9	L287 K288 P294	L287-E292 PolarHBondContact O-N 2.87Å; K288-E292 HydrophobicContact CB-CG 4.45Å; K288-E292 HydrophobicContact CG-CB 4.44Å; K288-E292 WeakPolarHBondContact CG-OE2 3.26Å; E292-P294 WeakPolarHBondContact O-CD 3.15Å
293	T	85.8	Confident	92.6	Very high	131 Å²	131	68.4 Å²	68.4	80%	0.804	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-64.2	118.9	172.2	-49.7	0	0	0	0	109.1
294	P	89.1	Confident	92.6	Very high	30 Å²	30	77 Å²	77	20%	0.195	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-67.5	154.1	178	27.4	-32.4	0	0	0	110.8	E292 E298 L299	E292-P294 WeakPolarHBondContact O-CD 3.15Å; P294-E298 HydrophobicContact CB-CB 3.85Å; P294-E298 HydrophobicContact CB-CG 3.51Å; P294-L299 HydrophobicContact CG-CB 4.06Å; P294-L299 HydrophobicContact CG-CD1 4.06Å
295	G	90.9	Very high	92.6	Very high	54 Å²	54	73.9 Å²	73.9	56%	0.557	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-64.1	164.7	167.8	0	0	0	0	0	111.7	E297 E298 L299	G295-E297 PolarHBondContact O-N 3.2Å; G295-E298 PolarHBondContact O-N 2.95Å; G295-E298 VanDerWaalsContact O-N 3.1Å; G295-L299 PolarHBondContact O-N 2.79Å
296	E	93.4	Very high	92.5	Very high	167 Å²	167	80.7 Å²	80.7	78%	0.78	40%	0.404	S	S	*	.	H	α-helix	trans	-50.6	-49.5	-171.9	-66.1	177.1	173.8	0	0	113.6	E298 L299 E300	E296-E298 PolarHBondContact O-N 3.25Å; E296-L299 WeakPolarHBondContact O-CB 3.45Å; E296-L299 PolarHBondContact O-N 3.42Å; E296-E300 WeakPolarHBondContact O-CG 3.33Å; E296-E300 PolarHBondContact O-N 2.82Å
297	E	92.4	Very high	92.7	Very high	166 Å²	166	82.5 Å²	82.5	78%	0.776	41%	0.411	S	S	*	.	H	α-helix	trans	-60.4	-43.4	-179.8	-174.3	-175.1	177.2	0	0	112.7	G295 E300 R301	G295-E297 PolarHBondContact O-N 3.2Å; E297-E300 PolarHBondContact O-N 2.84Å; E297-R301 WeakPolarHBondContact O-CB 3.12Å; E297-R301 PolarHBondContact O-N 2.65Å
298	E	92	Very high	92.8	Very high	48 Å²	48	82.5 Å²	82.5	22%	0.224	41%	0.412	C	S	.	.	H	α-helix	trans	-72	-34.3	178.7	173.2	61.3	-168.8	0	0	111.2	P294 G295 E296 R301 R302	P294-E298 HydrophobicContact CB-CB 3.85Å; P294-E298 HydrophobicContact CB-CG 3.51Å; G295-E298 PolarHBondContact O-N 2.95Å; G295-E298 VanDerWaalsContact O-N 3.1Å; E296-E298 PolarHBondContact O-N 3.25Å; E298-R301 PolarHBondContact O-N 3.39Å; E298-R301 IonicContact OE1-CZ 3.73Å; E298-R301 IonicContact OE1-NE 3.51Å; E298-R301 IonicContact OE1-NH2 3.64Å; E298-R301 PolarHBondContact OE1-NH2 3.07Å; E298-R301 IonicContact OE2-CZ 2.78Å; E298-R301 IonicContact OE2-NE 2.69Å; E298-R301 PolarHBondContact OE2-NE 3.37Å; E298-R301 IonicContact OE2-NH2 3.58Å; E298-R302 WeakPolarHBondContact O-CB 3.46Å; E298-R302 VanDerWaalsContact O-CG 3.29Å; E298-R302 WeakPolarHBondContact O-CG 3.45Å; E298-R302 PolarHBondContact O-N 2.88Å; E298-R302 IonicContact OE1-CZ 3.57Å; E298-R302 IonicContact OE1-NE 2.8Å; E298-R302 PolarHBondContact OE1-NE 2.85Å; E298-R302 IonicContact OE1-NH2 3.44Å; E298-R302 PolarHBondContact OE1-NH2 2.82Å
299	L	92.2	Very high	93.1	Very high	74 Å²	74	76.7 Å²	76.7	39%	0.387	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-46.5	173.4	-175.8	60.2	0	0	0	110.9	P294 G295 E296 R301 R302 N303	P294-L299 HydrophobicContact CG-CB 4.06Å; P294-L299 HydrophobicContact CG-CD1 4.06Å; G295-L299 PolarHBondContact O-N 2.79Å; E296-L299 WeakPolarHBondContact O-CB 3.45Å; E296-L299 PolarHBondContact O-N 3.42Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.23Å; L299-R302 PolarHBondContact O-N 2.82Å; L299-N303 WeakPolarHBondContact O-CB 3.27Å; L299-N303 VanDerWaalsContact O-CG 3.23Å; L299-N303 PolarHBondContact O-N 3.27Å; L299-N303 PolarHBondContact O-ND2 3.36Å
300	E	93.8	Very high	93.3	Very high	116 Å²	116	76.6 Å²	76.6	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-38.5	174.9	-73.7	-173.5	174.3	0	0	112.6	E296 E297 R304	E296-E300 WeakPolarHBondContact O-CG 3.33Å; E296-E300 PolarHBondContact O-N 2.82Å; E297-E300 PolarHBondContact O-N 2.84Å; E300-R304 WeakPolarHBondContact O-CG 3.33Å; E300-R304 PolarHBondContact O-N 3.05Å; E300-R304 PolarHBondContact O-NE 3.02Å
301	R	94.6	Very high	93.6	Very high	56 Å²	56	75.5 Å²	75.5	21%	0.211	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-46	174	-169.5	-164.9	71.8	84.1	1.1	111	V251 L253 T256 E297 E298 L299 R304 A305	V251-R301 PolarHBondContact O-NH2 3.1Å; L253-R301 PolarHBondContact O-NH1 2.91Å; T256-R301 PolarHBondContact O-NH1 2.97Å; T256-R301 PolarHBondContact O-NH2 3Å; E297-R301 WeakPolarHBondContact O-CB 3.12Å; E297-R301 PolarHBondContact O-N 2.65Å; E298-R301 PolarHBondContact O-N 3.39Å; E298-R301 IonicContact OE1-CZ 3.73Å; E298-R301 IonicContact OE1-NE 3.51Å; E298-R301 IonicContact OE1-NH2 3.64Å; E298-R301 PolarHBondContact OE1-NH2 3.07Å; E298-R301 IonicContact OE2-CZ 2.78Å; E298-R301 IonicContact OE2-NE 2.69Å; E298-R301 PolarHBondContact OE2-NE 3.37Å; E298-R301 IonicContact OE2-NH2 3.58Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.23Å; R301-R304 PolarHBondContact O-N 3.34Å; R301-A305 PolarHBondContact O-N 2.77Å
302	R	93.3	Very high	94	Very high	36 Å²	36	73 Å²	73	14%	0.136	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-40.3	178.6	-72.8	179.9	-171.5	-164.2	6.3	112.1	R257 A289 E298 L299 R304 A305	R257-R302 HydrophobicContact CB-CB 4.04Å; R257-R302 HydrophobicContact CB-CG 3.99Å; R257-R302 WeakPolarHBondContact CD-O 3.48Å; A289-R302 PolarHBondContact O-NH1 3.41Å; E298-R302 WeakPolarHBondContact O-CB 3.46Å; E298-R302 VanDerWaalsContact O-CG 3.29Å; E298-R302 WeakPolarHBondContact O-CG 3.45Å; E298-R302 PolarHBondContact O-N 2.88Å; E298-R302 IonicContact OE1-CZ 3.57Å; E298-R302 IonicContact OE1-NE 2.8Å; E298-R302 PolarHBondContact OE1-NE 2.85Å; E298-R302 IonicContact OE1-NH2 3.44Å; E298-R302 PolarHBondContact OE1-NH2 2.82Å; L299-R302 PolarHBondContact O-N 2.82Å; R302-R304 PolarHBondContact O-N 2.82Å; R302-A305 VanDerWaalsContact O-CB 3.31Å; R302-A305 WeakPolarHBondContact O-CB 3.45Å; R302-A305 PolarHBondContact O-N 2.81Å; R302-A305 VanDerWaalsContact O-N 3.11Å
303	N	93.6	Very high	94.6	Very high	123 Å²	123	68.1 Å²	68.1	66%	0.658	34%	0.34	S	S	*	.	H	α-helix	trans	-65.6	-28	178.4	-71.5	-14.7	0	0	0	112.9	L299	L299-N303 WeakPolarHBondContact O-CB 3.27Å; L299-N303 VanDerWaalsContact O-CG 3.23Å; L299-N303 PolarHBondContact O-N 3.27Å; L299-N303 PolarHBondContact O-ND2 3.36Å
304	R	95.4	Very high	95.1	Very high	182 Å²	182	64.2 Å²	64.2	69%	0.687	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-4.9	174.6	-69.4	-177.8	-70.8	-179.9	-4.9	113.9	E300 R301 R302 E306	E300-R304 WeakPolarHBondContact O-CG 3.33Å; E300-R304 PolarHBondContact O-N 3.05Å; E300-R304 PolarHBondContact O-NE 3.02Å; R301-R304 PolarHBondContact O-N 3.34Å; R302-R304 PolarHBondContact O-N 2.82Å; R304-E306 PolarHBondContact O-N 2.97Å
305	A	96.6	Very high	95.6	Very high	13 Å²	13	64.4 Å²	64.4	11%	0.107	31%	0.31	C	S	.	.			trans	-75.5	122.1	-177.7	0	0	0	0	0	111	G255 R257 R301 R302 R307	G255-A305 WeakPolarHBondContact O-CB 3.45Å; R257-A305 HydrophobicContact CB-CB 3.93Å; R257-A305 HydrophobicContact CG-CB 4.05Å; R301-A305 PolarHBondContact O-N 2.77Å; R302-A305 VanDerWaalsContact O-CB 3.31Å; R302-A305 WeakPolarHBondContact O-CB 3.45Å; R302-A305 PolarHBondContact O-N 2.81Å; R302-A305 VanDerWaalsContact O-N 3.11Å; A305-R307 VanDerWaalsContact C-N 3.32Å
306	E	96.4	Very high	95.8	Very high	160 Å²	160	67 Å²	67	75%	0.748	31%	0.306	S	S	*	.	S	Bend	trans	-83.3	-12	177.7	-62.2	177.9	178.5	0	0	112.9	G255 R304	G255-E306 PolarHBondContact O-N 3.48Å; R304-E306 PolarHBondContact O-N 2.97Å
307	R	98.4	Very high	96	Very high	40 Å²	40	60.1 Å²	60.1	15%	0.151	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.2	-176.4	-66.7	179.7	-178	-172.6	-6.7	110.7	L202 S203 R227 G255 T256 R257 A305	L202-R307 HydrophobicContact CD2-CB 4.15Å; L202-R307 HydrophobicContact CD2-CG 4.37Å; L202-R307 WeakPolarHBondContact O-CD 3.06Å; L202-R307 PolarHBondContact O-NH1 2.97Å; S203-R307 PolarHBondContact O-NH1 2.81Å; R227-R307 CarbonylContact O-C 3.56Å; R227-R307 VanDerWaalsContact O-CA 3.24Å; R227-R307 WeakPolarHBondContact O-CA 2.95Å; G255-R307 PolarHBondContact O-N 3.04Å; T256-R307 CarbonylContact C-O 3.47Å; T256-R307 WeakPolarHBondContact CA-O 3.21Å; T256-R307 HydrophobicContact CG2-CB 4.01Å; R257-R307 PolarHBondContact N-O 3.25Å; A305-R307 VanDerWaalsContact C-N 3.32Å
308	A	98.4	Very high	96.3	Very high	6 Å²	6	55.4 Å²	55.4	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	150.2	-178.4	0	0	0	0	0	111.8	R227 R228 V229 R257 E259	R227-A308 PolarHBondContact O-N 3.1Å; R228-A308 VanDerWaalsContact CA-O 3.31Å; R228-A308 WeakPolarHBondContact CA-O 3.09Å; V229-A308 PolarHBondContact N-O 3.35Å; R257-A308 HydrophobicContact CG-CB 4.15Å; R257-A308 WeakPolarHBondContact O-CA 3.34Å; E259-A308 HydrophobicContact CB-CB 4.46Å
309	W	98.6	Very high	96.6	Very high	1 Å²	1	56 Å²	56	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	151.3	172.3	69.1	-86.3	0	0	0	110.6	L202 V229 I231 L247 M250 V251 R257 P258 E259 M260 F311	L202-W309 HydrophobicContact CD1-CB 3.72Å; V229-W309 CarbonylContact O-C 3.6Å; V229-W309 VanDerWaalsContact O-CA 3.23Å; V229-W309 WeakPolarHBondContact O-CA 3.39Å; I231-W309 HydrophobicContact CD1-CE3 4.44Å; L247-W309 HydrophobicContact CD1-CH2 3.78Å; L247-W309 HydrophobicContact CD1-CZ3 4.34Å; M250-W309 HydrophobicContact CB-CH2 4.25Å; M250-W309 HydrophobicContact CB-CZ2 4.04Å; M250-W309 HydrophobicContact CE-CB 3.55Å; M250-W309 HydrophobicContact CE-CD2 3.75Å; M250-W309 HydrophobicContact CE-CE3 4.43Å; M250-W309 HydrophobicContact CE-CG 3.3Å; M250-W309 HydrophobicContact CG-CD2 3.57Å; M250-W309 VanDerWaalsContact CG-CE2 3.44Å; M250-W309 HydrophobicContact CG-CE3 3.83Å; M250-W309 HydrophobicContact CG-CG 4.15Å; M250-W309 HydrophobicContact CG-CH2 3.89Å; M250-W309 HydrophobicContact CG-CZ2 3.62Å; M250-W309 HydrophobicContact CG-CZ3 3.98Å; M250-W309 PolarHBondContact O-NE1 3.5Å; V251-W309 HydrophobicContact CB-CZ2 4.46Å; V251-W309 HydrophobicContact CG2-CH2 4.11Å; V251-W309 HydrophobicContact CG2-CZ2 3.8Å; R257-W309 PolarHBondContact O-N 3.22Å; P258-W309 CarbonylContact C-O 3.43Å; P258-W309 VanDerWaalsContact CA-O 3.29Å; P258-W309 WeakPolarHBondContact CA-O 3.24Å; P258-W309 HydrophobicContact CB-CZ2 4.05Å; E259-W309 PolarHBondContact N-O 3.01Å; M260-W309 HydrophobicContact CE-CH2 4.5Å; W309-F311 HydrophobicContact CH2-CE2 4.36Å; W309-F311 AromaticContact CZ3-CD2 3.99Å; W309-F311 HydrophobicContact CZ3-CD2 3.99Å; W309-F311 AromaticContact CZ3-CE2 3.74Å; W309-F311 HydrophobicContact CZ3-CE2 3.74Å; W309-F311 HydrophobicContact CZ3-CZ 4.36Å
310	G	97.8	Very high	96.9	Very high	2 Å²	2	52.5 Å²	52.5	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.8	-175.8	0	0	0	0	0	112.7	V229 I231 E259	V229-G310 PolarHBondContact O-N 3.49Å; I231-G310 PolarHBondContact N-O 3.44Å; E259-G310 WeakPolarHBondContact O-CA 3.48Å
311	F	98.3	Very high	97.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	143.6	161	-70.4	-68.5	0	0	0	110.1	Q190 L195 I231 L247 M260 L286 W309 F313	Q190-F311 HydrophobicContact CB-CD1 4.41Å; Q190-F311 HydrophobicContact CB-CE1 4.09Å; Q190-F311 HydrophobicContact CG-CD1 3.8Å; Q190-F311 HydrophobicContact CG-CE1 3.96Å; L195-F311 HydrophobicContact CD2-CE1 4.43Å; L195-F311 HydrophobicContact CD2-CZ 3.98Å; I231-F311 HydrophobicContact CB-CD1 3.71Å; I231-F311 HydrophobicContact CB-CE1 3.97Å; I231-F311 HydrophobicContact CD1-CE1 4.23Å; I231-F311 HydrophobicContact CG2-CD1 3.87Å; I231-F311 HydrophobicContact CG2-CE1 3.77Å; I231-F311 WeakPolarHBondContact O-CA 3.2Å; L247-F311 HydrophobicContact CD1-CE2 3.79Å; L247-F311 HydrophobicContact CD1-CZ 4.27Å; M260-F311 HydrophobicContact SD-CB 4.23Å; M260-F311 HydrophobicContact SD-CD2 3.92Å; L286-F311 HydrophobicContact CD1-CD2 3.61Å; L286-F311 HydrophobicContact CD1-CE2 3.61Å; W309-F311 HydrophobicContact CH2-CE2 4.36Å; W309-F311 AromaticContact CZ3-CD2 3.99Å; W309-F311 HydrophobicContact CZ3-CD2 3.99Å; W309-F311 AromaticContact CZ3-CE2 3.74Å; W309-F311 HydrophobicContact CZ3-CE2 3.74Å; W309-F311 HydrophobicContact CZ3-CZ 4.36Å; F311-F313 HydrophobicContact CB-CD2 4.27Å; F311-F313 HydrophobicContact CB-CE1 4.06Å; F311-F313 HydrophobicContact CB-CE2 3.42Å; F311-F313 VanDerWaalsContact CB-CE2 3.42Å; F311-F313 HydrophobicContact CB-CZ 3.31Å; F311-F313 HydrophobicContact CD1-CZ 4.49Å; F311-F313 HydrophobicContact CD2-CZ 4.16Å; F311-F313 HydrophobicContact CG-CE1 4.39Å; F311-F313 HydrophobicContact CG-CE2 4.34Å; F311-F313 AromaticContact CG-CZ 3.77Å; F311-F313 HydrophobicContact CG-CZ 3.77Å
312	R	97.7	Very high	97.3	Very high	25 Å²	25	48.5 Å²	48.5	9%	0.094	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.5	159.9	-66.3	-57.4	-167.9	-176.2	13.3	109.5	Q190 L230 I231 V232 G233 E261 E264	Q190-R312 PolarHBondContact NE2-O 3.12Å; Q190-R312 VanDerWaalsContact NE2-O 3.08Å; L230-R312 HydrophobicContact CD1-CG 3.39Å; L230-R312 HydrophobicContact CD2-CG 3.65Å; L230-R312 HydrophobicContact CG-CB 4.45Å; L230-R312 HydrophobicContact CG-CG 3.51Å; I231-R312 PolarHBondContact O-N 2.87Å; V232-R312 CarbonylContact C-O 3.5Å; V232-R312 WeakPolarHBondContact CA-O 3.15Å; V232-R312 HydrophobicContact CG2-CB 4.28Å; G233-R312 PolarHBondContact N-O 3.09Å; E261-R312 IonicContact OE1-CZ 2.72Å; E261-R312 IonicContact OE1-NH1 2.78Å; E261-R312 PolarHBondContact OE1-NH1 2.94Å; E261-R312 IonicContact OE1-NH2 3.98Å; E261-R312 PolarHBondContact OE1-NH2 3.32Å; E261-R312 IonicContact OE2-NH1 3.39Å; E264-R312 IonicContact OE2-NH1 3.53Å
313	F	97.6	Very high	97.4	Very high	1 Å²	1	47.2 Å²	47.2	0%	0.004	23%	0.226	C	C	.	.			trans	-109	162.2	-174.8	-62.6	-76.1	0	0	0	111.4	Q190 G233 P237 V240 E264 F265 L286 F311 R315	Q190-F313 VanDerWaalsContact NE2-CD1 3.32Å; G233-F313 CarbonylContact O-C 3.58Å; P237-F313 VanDerWaalsContact CA-CE1 3.48Å; P237-F313 HydrophobicContact CB-CD1 4.42Å; P237-F313 HydrophobicContact CB-CE1 3.98Å; P237-F313 HydrophobicContact CB-CE2 4.29Å; P237-F313 HydrophobicContact CB-CZ 3.89Å; P237-F313 HydrophobicContact CG-CD1 3.93Å; P237-F313 HydrophobicContact CG-CD2 3.74Å; P237-F313 HydrophobicContact CG-CE1 3.9Å; P237-F313 HydrophobicContact CG-CE2 3.7Å; P237-F313 HydrophobicContact CG-CG 3.84Å; P237-F313 HydrophobicContact CG-CZ 3.76Å; V240-F313 HydrophobicContact CG1-CE1 3.67Å; V240-F313 HydrophobicContact CG1-CZ 4.29Å; E264-F313 HydrophobicContact CB-CD2 3.98Å; E264-F313 PolarHBondContact OE1-N 2.92Å; F265-F313 HydrophobicContact CE1-CE2 4.17Å; F265-F313 HydrophobicContact CE2-CE2 4.14Å; F265-F313 HydrophobicContact CZ-CD2 4.45Å; F265-F313 AromaticContact CZ-CE2 3.56Å; F265-F313 HydrophobicContact CZ-CE2 3.56Å; F265-F313 HydrophobicContact CZ-CZ 4.22Å; L286-F313 HydrophobicContact CD2-CZ 4.24Å; F311-F313 HydrophobicContact CB-CD2 4.27Å; F311-F313 HydrophobicContact CB-CE1 4.06Å; F311-F313 HydrophobicContact CB-CE2 3.42Å; F311-F313 VanDerWaalsContact CB-CE2 3.42Å; F311-F313 HydrophobicContact CB-CZ 3.31Å; F311-F313 HydrophobicContact CD1-CZ 4.49Å; F311-F313 HydrophobicContact CD2-CZ 4.16Å; F311-F313 HydrophobicContact CG-CE1 4.39Å; F311-F313 HydrophobicContact CG-CE2 4.34Å; F311-F313 AromaticContact CG-CZ 3.77Å; F311-F313 HydrophobicContact CG-CZ 3.77Å; F313-R315 WeakPolarHBondContact O-CG 3.34Å; F313-R315 PolarHBondContact O-N 3.3Å; F313-R315 VanDerWaalsContact O-N 3.1Å; F313-R315 PolarHBondContact O-NH1 2.96Å; F313-R315 VanDerWaalsContact O-NH1 3.15Å
314	L	97.1	Very high	97.4	Very high	48 Å²	48	48.6 Å²	48.6	25%	0.251	24%	0.239	S	C	.	.	S	Bend	trans	55.2	33.6	176.5	-51.3	175.7	0	0	0	112.9	G233 R235 V336 N337 L339	G233-L314 PolarHBondContact O-N 3.36Å; R235-L314 PolarHBondContact O-N 3.14Å; R235-L314 VanDerWaalsContact O-N 3.08Å; L314-V336 CarbonylContact O-C 3.48Å; L314-N337 HydrophobicContact CB-CB 4.29Å; L314-N337 WeakPolarHBondContact CB-O 3.47Å; L314-N337 WeakPolarHBondContact O-CB 3.27Å; L314-N337 PolarHBondContact O-N 3.4Å; L314-N337 PolarHBondContact O-ND2 2.87Å; L314-L339 HydrophobicContact CD2-CD1 4.26Å; L314-L339 HydrophobicContact CD2-CD2 3.66Å; L314-L339 HydrophobicContact CD2-CG 3.65Å
315	R	98	Very high	97.2	Very high	35 Å²	35	43.9 Å²	43.9	13%	0.132	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.9	178.8	-69.7	-49.5	-178.4	-84.2	0.2	111.6	V232 G233 R234 F313 L334 A335 E355	V232-R315 HydrophobicContact CG1-CB 3.43Å; V232-R315 VanDerWaalsContact CG1-CB 3.43Å; V232-R315 HydrophobicContact CG1-CG 4.42Å; G233-R315 CarbonylContact C-O 3.52Å; G233-R315 VanDerWaalsContact C-O 3.26Å; G233-R315 PolarHBondContact O-N 3.37Å; R234-R315 WeakPolarHBondContact CA-O 3.33Å; R234-R315 PolarHBondContact N-O 3.48Å; R234-R315 VanDerWaalsContact N-O 3.16Å; F313-R315 WeakPolarHBondContact O-CG 3.34Å; F313-R315 PolarHBondContact O-N 3.3Å; F313-R315 VanDerWaalsContact O-N 3.1Å; F313-R315 PolarHBondContact O-NH1 2.96Å; F313-R315 VanDerWaalsContact O-NH1 3.15Å; R315-L334 HydrophobicContact CB-CB 4.16Å; R315-L334 HydrophobicContact CB-CD1 4.05Å; R315-L334 HydrophobicContact CG-CB 4.36Å; R315-L334 HydrophobicContact CG-CD1 4.15Å; R315-A335 WeakPolarHBondContact CA-O 3.31Å; R315-E355 IonicContact CZ-OE2 3.54Å; R315-E355 IonicContact NE-OE2 2.76Å; R315-E355 PolarHBondContact NE-OE2 3.02Å; R315-E355 IonicContact NH2-OE2 2.83Å; R315-E355 PolarHBondContact NH2-OE2 3.3Å
316	K	96.5	Very high	97	Very high	108 Å²	108	49.1 Å²	49.1	47%	0.47	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.6	177.3	-178.9	-166.6	169.5	-166.6	0	108.9	R234 L318 L334 A335 N337	R234-K316 HydrophobicContact CB-CB 4.38Å; K316-L318 PolarHBondContact O-N 3.48Å; K316-L334 CarbonylContact O-C 3.49Å; K316-L334 VanDerWaalsContact O-CA 3.31Å; K316-L334 WeakPolarHBondContact O-CA 3.49Å; K316-A335 PolarHBondContact N-O 3.38Å; K316-A335 PolarHBondContact O-N 3.07Å; K316-N337 PolarHBondContact N-ND2 3.15Å; K316-N337 VanDerWaalsContact N-ND2 3.2Å
317	P	97.8	Very high	96.9	Very high	22 Å²	22	47 Å²	47	14%	0.143	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	135.8	175	29.4	-37.5	0	0	0	111.2	V149 L188 I332 L334	V149-P317 HydrophobicContact CG1-CB 4.5Å; L188-P317 HydrophobicContact CD1-CB 4.09Å; L188-P317 HydrophobicContact CD1-CG 4.11Å; L188-P317 HydrophobicContact CD2-CB 4.43Å; P317-I332 HydrophobicContact CB-CD1 4.06Å; P317-L334 HydrophobicContact CB-CD2 4.46Å
318	L	98.1	Very high	96.7	Very high	67 Å²	67	50.9 Å²	50.9	35%	0.351	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-39.6	172	-72	-176.5	0	0	0	112.3	V149 P150 K316 R333 A335 V354	V149-L318 WeakPolarHBondContact CB-O 3.29Å; P150-L318 WeakPolarHBondContact CD-O 3.44Å; K316-L318 PolarHBondContact O-N 3.48Å; L318-R333 HydrophobicContact CB-CG 4.17Å; L318-R333 HydrophobicContact CD1-CG 4.25Å; L318-R333 PolarHBondContact N-O 3.39Å; L318-A335 HydrophobicContact CD1-CB 3.79Å; L318-A335 HydrophobicContact CD2-CB 3.9Å; L318-A335 HydrophobicContact CG-CB 3.73Å; L318-V354 HydrophobicContact CD1-CG1 3.72Å
319	E	98.4	Very high	96.7	Very high	61 Å²	61	50.8 Å²	50.8	29%	0.285	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	139.9	-174	171.4	175.4	-146.5	0	0	109.1	P150 L321 I332 R333	P150-E319 HydrophobicContact CB-CG 4.23Å; P150-E319 WeakPolarHBondContact O-CA 3.3Å; E319-L321 HydrophobicContact CG-CD2 4.11Å; E319-I332 WeakPolarHBondContact O-CG1 3.43Å; E319-R333 HydrophobicContact CB-CB 4.27Å; E319-R333 PolarHBondContact N-O 3.17Å; E319-R333 PolarHBondContact O-N 3.07Å; E319-R333 IonicContact OE2-NH1 3.74Å; E319-R333 PolarHBondContact OE2-NH1 2.99Å; E319-R333 VanDerWaalsContact OE2-NH1 3.14Å
320	V	98.6	Very high	96.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.5	165.1	-176.7	0	0	0	0	107.5	M147 P150 G151 L154 V157 A329 V362	M147-V320 HydrophobicContact CE-CG2 4.12Å; P150-V320 PolarHBondContact O-N 3.14Å; G151-V320 WeakPolarHBondContact O-CB 3.22Å; L154-V320 HydrophobicContact CD1-CB 4.33Å; L154-V320 HydrophobicContact CD1-CG1 3.96Å; V157-V320 HydrophobicContact CG2-CB 4.44Å; V157-V320 HydrophobicContact CG2-CG1 3.79Å; V157-V320 HydrophobicContact CG2-CG2 4.18Å; V320-A329 HydrophobicContact CG1-CB 3.73Å; V320-V362 HydrophobicContact CG1-CG2 4.39Å
321	L	98.4	Very high	96.7	Very high	34 Å²	34	52.7 Å²	52.7	18%	0.178	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126	-174.9	-58.3	174	0	0	0	109.3	E319 A330 G331 R333 D356	E319-L321 HydrophobicContact CG-CD2 4.11Å; L321-A330 PolarHBondContact O-N 3.01Å; L321-G331 PolarHBondContact N-O 3.14Å; L321-G331 PolarHBondContact O-N 2.84Å; L321-R333 HydrophobicContact CD2-CB 4.23Å; L321-R333 HydrophobicContact CG-CB 4.4Å; L321-D356 HydrophobicContact CD1-CB 4.05Å
322	P	97.8	Very high	96.7	Very high	53 Å²	53	52.7 Å²	52.7	34%	0.344	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	154.6	179	30	-33.7	0	0	0	112.2	L154 L326 R328	L154-P322 HydrophobicContact CD1-CB 3.96Å; L154-P322 HydrophobicContact CD2-CB 4.31Å; P322-L326 HydrophobicContact CB-CD2 3.88Å; P322-L326 HydrophobicContact CG-CD2 3.74Å; P322-R328 CarbonylContact C-O 3.57Å; P322-R328 WeakPolarHBondContact CA-O 3.13Å
323	S	96.1	Very high	96.7	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.07	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.5	170.1	162.4	46.8	0	0	0	0	112.2	D325 L326 R328	S323-D325 WeakPolarHBondContact CB-OD1 3.3Å; S323-D325 PolarHBondContact O-N 3.3Å; S323-D325 PolarHBondContact OG-OD1 3.15Å; S323-L326 WeakPolarHBondContact O-CA 3.42Å; S323-L326 PolarHBondContact O-N 3.07Å; S323-R328 PolarHBondContact N-O 3.02Å; S323-R328 WeakPolarHBondContact OG-CG 3.4Å; S323-R328 PolarHBondContact OG-N 3.16Å; S323-R328 PolarHBondContact OG-O 3.36Å
324	T	93	Very high	96.8	Very high	151 Å²	151	55.2 Å²	55.2	93%	0.926	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.2	177.9	48.2	0	0	0	0	114	L326	T324-L326 VanDerWaalsContact C-N 3.33Å
325	D	92.1	Very high	96.8	Very high	83 Å²	83	53.2 Å²	53.2	44%	0.444	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.4	175.5	61.5	12.6	0	0	0	113.9	S323 I327	S323-D325 WeakPolarHBondContact CB-OD1 3.3Å; S323-D325 PolarHBondContact O-N 3.3Å; S323-D325 PolarHBondContact OG-OD1 3.15Å; D325-I327 HydrophobicContact CB-CD1 4.39Å; D325-I327 WeakPolarHBondContact O-CG1 3.48Å; D325-I327 PolarHBondContact O-N 2.68Å; D325-I327 PolarHBondContact OD1-N 2.91Å; D325-I327 VanDerWaalsContact OD1-N 3.14Å
326	L	91.7	Very high	96.8	Very high	123 Å²	123	52.4 Å²	52.4	64%	0.644	28%	0.275	S	S	*	.	S	Bend	trans	63.7	11.3	-179.5	-52.5	177.2	0	0	0	116.3	L154 P322 S323 T324	L154-L326 WeakPolarHBondContact CD2-O 3.3Å; P322-L326 HydrophobicContact CB-CD2 3.88Å; P322-L326 HydrophobicContact CG-CD2 3.74Å; S323-L326 WeakPolarHBondContact O-CA 3.42Å; S323-L326 PolarHBondContact O-N 3.07Å; T324-L326 VanDerWaalsContact C-N 3.33Å
327	I	93.6	Very high	96.9	Very high	116 Å²	116	47.7 Å²	47.7	60%	0.595	25%	0.254	S	S	*	.	S	Bend	trans	-97.5	-33.1	-173.2	-66.2	164.3	0	0	0	112.2	A155 D325	A155-I327 WeakPolarHBondContact CB-O 3.49Å; A155-I327 PolarHBondContact N-O 2.67Å; A155-I327 VanDerWaalsContact N-O 3.07Å; D325-I327 HydrophobicContact CB-CD1 4.39Å; D325-I327 WeakPolarHBondContact O-CG1 3.48Å; D325-I327 PolarHBondContact O-N 2.68Å; D325-I327 PolarHBondContact OD1-N 2.91Å; D325-I327 VanDerWaalsContact OD1-N 3.14Å
328	R	95.6	Very high	96.7	Very high	122 Å²	122	53.2 Å²	53.2	46%	0.46	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-124.3	161.4	-172.6	59.2	179.1	178.7	167.7	5.5	112.5	A155 P322 S323	A155-R328 HydrophobicContact CB-CB 4.15Å; A155-R328 CarbonylContact O-C 3.26Å; A155-R328 VanDerWaalsContact O-CA 3.24Å; A155-R328 WeakPolarHBondContact O-CA 3.45Å; P322-R328 CarbonylContact C-O 3.57Å; P322-R328 WeakPolarHBondContact CA-O 3.13Å; S323-R328 PolarHBondContact N-O 3.02Å; S323-R328 WeakPolarHBondContact OG-CG 3.4Å; S323-R328 PolarHBondContact OG-N 3.16Å; S323-R328 PolarHBondContact OG-O 3.36Å
329	A	97.6	Very high	96.5	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.033	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.1	170.4	0	0	0	0	0	110.1	A155 V157 V320	A155-A329 PolarHBondContact O-N 3.21Å; V157-A329 HydrophobicContact CG2-CB 4.29Å; V320-A329 HydrophobicContact CG1-CB 3.73Å
330	A	97.9	Very high	96.2	Very high	42 Å²	42	52.7 Å²	52.7	35%	0.347	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-9.5	169.5	0	0	0	0	0	112.4	L321 C359	L321-A330 PolarHBondContact O-N 3.01Å; A330-C359 CarbonylContact C-O 3.4Å; A330-C359 WeakPolarHBondContact CA-O 3.26Å; A330-C359 PolarHBondContact O-N 3.45Å; A330-C359 VanDerWaalsContact O-N 3.15Å
331	G	98.4	Very high	95.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-174.2	171.5	0	0	0	0	0	112.4	L321 V357 C359	L321-G331 PolarHBondContact N-O 3.14Å; L321-G331 PolarHBondContact O-N 2.84Å; G331-V357 CarbonylContact C-O 3.07Å; G331-V357 WeakPolarHBondContact CA-O 3.46Å; G331-C359 PolarHBondContact N-O 3.4Å; G331-C359 VanDerWaalsContact N-O 3.16Å
332	I	98.7	Very high	94.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.8	174.1	-169.7	171.1	0	0	0	110.2	V186 L188 P317 E319 L334 V357 V362	V186-I332 HydrophobicContact CB-CG2 4.37Å; V186-I332 HydrophobicContact CG1-CG2 4.14Å; V186-I332 HydrophobicContact CG2-CG2 4.09Å; L188-I332 HydrophobicContact CD1-CD1 3.95Å; L188-I332 HydrophobicContact CD2-CD1 3.99Å; L188-I332 HydrophobicContact CG-CD1 4.4Å; P317-I332 HydrophobicContact CB-CD1 4.06Å; E319-I332 WeakPolarHBondContact O-CG1 3.43Å; I332-L334 HydrophobicContact CD1-CD2 4.05Å; I332-L334 HydrophobicContact CG1-CD2 4.02Å; I332-L334 HydrophobicContact CG2-CD2 4.25Å; I332-L334 HydrophobicContact CG2-CG 4.35Å; I332-V357 HydrophobicContact CG2-CB 4.08Å; I332-V357 PolarHBondContact N-O 3.46Å; I332-V357 PolarHBondContact O-N 3.46Å; I332-V362 HydrophobicContact CB-CG2 4.42Å; I332-V362 HydrophobicContact CD1-CG1 4Å; I332-V362 HydrophobicContact CD1-CG2 4.49Å
333	R	98.7	Very high	93.3	Very high	78 Å²	78	61.1 Å²	61.1	29%	0.294	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.2	172.4	-179.7	165.1	-68.8	150.8	-3.5	110	L318 E319 L321 V354 D356	L318-R333 HydrophobicContact CB-CG 4.17Å; L318-R333 HydrophobicContact CD1-CG 4.25Å; L318-R333 PolarHBondContact N-O 3.39Å; E319-R333 HydrophobicContact CB-CB 4.27Å; E319-R333 PolarHBondContact N-O 3.17Å; E319-R333 PolarHBondContact O-N 3.07Å; E319-R333 IonicContact OE2-NH1 3.74Å; E319-R333 PolarHBondContact OE2-NH1 2.99Å; E319-R333 VanDerWaalsContact OE2-NH1 3.14Å; L321-R333 HydrophobicContact CD2-CB 4.23Å; L321-R333 HydrophobicContact CG-CB 4.4Å; R333-V354 HydrophobicContact CG-CB 4.36Å; R333-D356 WeakPolarHBondContact CA-OD1 3.38Å; R333-D356 VanDerWaalsContact CB-OD1 3.24Å; R333-D356 WeakPolarHBondContact CB-OD1 3.45Å; R333-D356 WeakPolarHBondContact CG-OD1 3.22Å; R333-D356 IonicContact CZ-OD1 3.53Å; R333-D356 IonicContact CZ-OD2 3.42Å; R333-D356 IonicContact NE-OD1 3.64Å; R333-D356 PolarHBondContact NE-OD1 3.02Å; R333-D356 IonicContact NE-OD2 2.69Å; R333-D356 PolarHBondContact NE-OD2 2.82Å; R333-D356 IonicContact NH2-OD1 3.92Å; R333-D356 IonicContact NH2-OD2 3.84Å; R333-D356 PolarHBondContact NH2-OD2 2.99Å
334	L	98.6	Very high	92	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.1	-177	-57.1	176.1	0	0	0	110	L188 V232 R315 K316 P317 I332 V354 E355 V357	L188-L334 HydrophobicContact CD2-CD2 4.47Å; V232-L334 HydrophobicContact CG1-CD1 3.98Å; V232-L334 HydrophobicContact CG1-CD2 4.23Å; V232-L334 HydrophobicContact CG2-CD1 4.31Å; R315-L334 HydrophobicContact CB-CB 4.16Å; R315-L334 HydrophobicContact CB-CD1 4.05Å; R315-L334 HydrophobicContact CG-CB 4.36Å; R315-L334 HydrophobicContact CG-CD1 4.15Å; K316-L334 CarbonylContact O-C 3.49Å; K316-L334 VanDerWaalsContact O-CA 3.31Å; K316-L334 WeakPolarHBondContact O-CA 3.49Å; P317-L334 HydrophobicContact CB-CD2 4.46Å; I332-L334 HydrophobicContact CD1-CD2 4.05Å; I332-L334 HydrophobicContact CG1-CD2 4.02Å; I332-L334 HydrophobicContact CG2-CD2 4.25Å; I332-L334 HydrophobicContact CG2-CG 4.35Å; L334-V354 CarbonylContact O-C 3.51Å; L334-V354 VanDerWaalsContact O-CA 3.28Å; L334-V354 WeakPolarHBondContact O-CA 3.39Å; L334-E355 PolarHBondContact N-O 2.99Å; L334-E355 PolarHBondContact O-N 3.38Å; L334-V357 HydrophobicContact CD1-CG2 3.8Å
335	A	98.2	Very high	91.2	Very high	6 Å²	6	66 Å²	66	5%	0.05	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.2	165.8	0	0	0	0	0	109.9	R315 K316 L318 N337	R315-A335 WeakPolarHBondContact CA-O 3.31Å; K316-A335 PolarHBondContact N-O 3.38Å; K316-A335 PolarHBondContact O-N 3.07Å; L318-A335 HydrophobicContact CD1-CB 3.79Å; L318-A335 HydrophobicContact CD2-CB 3.9Å; L318-A335 HydrophobicContact CG-CB 3.73Å; A335-N337 PolarHBondContact O-ND2 3.14Å; A335-N337 VanDerWaalsContact O-ND2 3.07Å
336	V	97.9	Very high	91	Very high	19 Å²	19	63.1 Å²	63.1	12%	0.115	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	134.1	166.5	-175.9	0	0	0	0	108.5	L314 A350 T351 E353	L314-V336 CarbonylContact O-C 3.48Å; V336-A350 WeakPolarHBondContact O-CA 3.37Å; V336-T351 HydrophobicContact CG1-CG2 4.29Å; V336-T351 PolarHBondContact O-N 3.2Å; V336-T351 PolarHBondContact O-OG1 3.47Å; V336-E353 HydrophobicContact CB-CB 3.93Å; V336-E353 HydrophobicContact CG2-CB 3.8Å; V336-E353 PolarHBondContact N-O 2.95Å
337	N	96.9	Very high	91	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.043	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	162.2	179.6	-56.7	-82	0	0	0	110.6	L314 K316 A335 A348 V349	L314-N337 HydrophobicContact CB-CB 4.29Å; L314-N337 WeakPolarHBondContact CB-O 3.47Å; L314-N337 WeakPolarHBondContact O-CB 3.27Å; L314-N337 PolarHBondContact O-N 3.4Å; L314-N337 PolarHBondContact O-ND2 2.87Å; K316-N337 PolarHBondContact N-ND2 3.15Å; K316-N337 VanDerWaalsContact N-ND2 3.2Å; A335-N337 PolarHBondContact O-ND2 3.14Å; A335-N337 VanDerWaalsContact O-ND2 3.07Å; N337-A348 HydrophobicContact CB-CB 4.15Å; N337-V349 CarbonylContact C-O 3.58Å; N337-V349 WeakPolarHBondContact CA-O 3.24Å; N337-V349 WeakPolarHBondContact CB-O 3.48Å
338	R	94.6	Very high	91	Very high	139 Å²	139	60.2 Å²	60.2	53%	0.525	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161.4	160.6	65.7	-177.8	-172.4	-159.4	1.2	109.5	E340 A348 V349 T351	R338-E340 IonicContact CZ-OE1 2.74Å; R338-E340 IonicContact NE-OE1 3.87Å; R338-E340 PolarHBondContact NE-OE1 3.16Å; R338-E340 VanDerWaalsContact NE-OE1 3.15Å; R338-E340 IonicContact NH2-OE1 3.7Å; R338-E340 PolarHBondContact NH2-OE1 3.42Å; R338-A348 WeakPolarHBondContact O-CA 3.38Å; R338-V349 PolarHBondContact N-O 3.22Å; R338-V349 PolarHBondContact O-N 3.28Å; R338-T351 HydrophobicContact CB-CG2 4.16Å; R338-T351 HydrophobicContact CG-CG2 4.29Å
339	L	93.8	Very high	91	Very high	67 Å²	67	56.2 Å²	56.2	35%	0.351	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.1	173.8	-61	-178.4	0	0	0	110	R235 L314 V346 R347	R235-L339 HydrophobicContact CB-CD2 4.12Å; R235-L339 HydrophobicContact CG-CD2 4.09Å; L314-L339 HydrophobicContact CD2-CD1 4.26Å; L314-L339 HydrophobicContact CD2-CD2 3.66Å; L314-L339 HydrophobicContact CD2-CG 3.65Å; L339-V346 HydrophobicContact CB-CG1 4.01Å; L339-V346 HydrophobicContact CD1-CG1 4.02Å; L339-V346 HydrophobicContact CD2-CG1 3.79Å; L339-V346 HydrophobicContact CG-CG1 4.14Å; L339-R347 WeakPolarHBondContact CA-O 3.28Å
340	E	91.8	Very high	90.8	Very high	49 Å²	49	58.9 Å²	58.9	23%	0.229	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.4	169.6	-67.5	-176.4	-179.1	0	0	109.5	R338 V346 R347 V349	R338-E340 IonicContact CZ-OE1 2.74Å; R338-E340 IonicContact NE-OE1 3.87Å; R338-E340 PolarHBondContact NE-OE1 3.16Å; R338-E340 VanDerWaalsContact NE-OE1 3.15Å; R338-E340 IonicContact NH2-OE1 3.7Å; R338-E340 PolarHBondContact NH2-OE1 3.42Å; E340-V346 WeakPolarHBondContact O-CA 3.36Å; E340-R347 HydrophobicContact CB-CG 4.19Å; E340-R347 PolarHBondContact N-O 3.4Å; E340-R347 WeakPolarHBondContact O-CG 3.43Å; E340-R347 PolarHBondContact O-N 3Å; E340-R347 IonicContact OE2-CZ 2.68Å; E340-R347 IonicContact OE2-NE 3.7Å; E340-R347 IonicContact OE2-NH2 3.56Å; E340-R347 PolarHBondContact OE2-NH2 3.25Å; E340-V349 HydrophobicContact CB-CG2 4.21Å; E340-V349 HydrophobicContact CG-CB 4.41Å; E340-V349 HydrophobicContact CG-CG2 4.03Å; E340-V349 WeakPolarHBondContact OE2-CG2 3.47Å
341	G	86.1	Confident	90.8	Very high	62 Å²	62	59.7 Å²	59.7	64%	0.639	35%	0.346	S	S	*	.	S	Bend	trans	90.5	179.3	-175.8	0	0	0	0	0	113.7
342	D	76.2	Confident	90.6	Very high	135 Å²	135	63 Å²	63	72%	0.722	38%	0.38	S	S	*	.	S	Bend	trans	-128.7	161.8	-176.9	61.4	-5.4	0	0	0	112.4	E344 G345	D342-E344 PolarHBondContact O-N 3.08Å; D342-G345 WeakPolarHBondContact O-CA 3.16Å; D342-G345 PolarHBondContact O-N 3.49Å
343	G	72.3	Confident	90.6	Very high	69 Å²	69	69.1 Å²	69.1	71%	0.711	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	52.9	-126.3	176.3	0	0	0	0	0	114.6	G345 V346	G343-G345 VanDerWaalsContact C-N 3.3Å; G343-V346 WeakPolarHBondContact O-CG2 3.46Å
344	E	68.3	Low	90.6	Very high	208 Å²	208	69.5 Å²	69.5	97%	0.972	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-78	-13.6	178.2	-62.5	-165.3	158.4	0	0	113.4	D342 V346	D342-E344 PolarHBondContact O-N 3.08Å; E344-V346 VanDerWaalsContact C-N 3.31Å
345	G	77.1	Confident	90.5	Very high	55 Å²	55	71.8 Å²	71.8	57%	0.567	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-83.7	-1.8	179.3	0	0	0	0	0	114.6	D342 G343 R347	D342-G345 WeakPolarHBondContact O-CA 3.16Å; D342-G345 PolarHBondContact O-N 3.49Å; G343-G345 VanDerWaalsContact C-N 3.3Å; G345-R347 PolarHBondContact O-N 2.84Å
346	V	86.8	Confident	90.5	Very high	22 Å²	22	75.5 Å²	75.5	13%	0.133	45%	0.449	C	S	.	.			trans	-57.8	120.2	-178.5	172.5	0	0	0	0	111.4	L339 E340 G343 E344	L339-V346 HydrophobicContact CB-CG1 4.01Å; L339-V346 HydrophobicContact CD1-CG1 4.02Å; L339-V346 HydrophobicContact CD2-CG1 3.79Å; L339-V346 HydrophobicContact CG-CG1 4.14Å; E340-V346 WeakPolarHBondContact O-CA 3.36Å; G343-V346 WeakPolarHBondContact O-CG2 3.46Å; E344-V346 VanDerWaalsContact C-N 3.31Å
347	R	91.5	Very high	90.5	Very high	147 Å²	147	75.2 Å²	75.2	56%	0.555	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	150.2	177.3	63.1	175.9	-167.4	153.6	5.3	111.2	L339 E340 G345 V349	L339-R347 WeakPolarHBondContact CA-O 3.28Å; E340-R347 HydrophobicContact CB-CG 4.19Å; E340-R347 PolarHBondContact N-O 3.4Å; E340-R347 WeakPolarHBondContact O-CG 3.43Å; E340-R347 PolarHBondContact O-N 3Å; E340-R347 IonicContact OE2-CZ 2.68Å; E340-R347 IonicContact OE2-NE 3.7Å; E340-R347 IonicContact OE2-NH2 3.56Å; E340-R347 PolarHBondContact OE2-NH2 3.25Å; G345-R347 PolarHBondContact O-N 2.84Å; R347-V349 HydrophobicContact CG-CG2 4.17Å
348	A	93.9	Very high	90.6	Very high	32 Å²	32	82.9 Å²	82.9	26%	0.264	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.9	172.2	0	0	0	0	0	109.6	R234 R235 N337 R338	R234-A348 WeakPolarHBondContact O-CB 3.45Å; R235-A348 HydrophobicContact CG-CB 4.23Å; N337-A348 HydrophobicContact CB-CB 4.15Å; R338-A348 WeakPolarHBondContact O-CA 3.38Å
349	V	94.9	Very high	90.8	Very high	38 Å²	38	76.5 Å²	76.5	23%	0.23	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.3	178.1	-176.8	0	0	0	0	108.7	N337 R338 E340 R347	N337-V349 CarbonylContact C-O 3.58Å; N337-V349 WeakPolarHBondContact CA-O 3.24Å; N337-V349 WeakPolarHBondContact CB-O 3.48Å; R338-V349 PolarHBondContact N-O 3.22Å; R338-V349 PolarHBondContact O-N 3.28Å; E340-V349 HydrophobicContact CB-CG2 4.21Å; E340-V349 HydrophobicContact CG-CB 4.41Å; E340-V349 HydrophobicContact CG-CG2 4.03Å; E340-V349 WeakPolarHBondContact OE2-CG2 3.47Å; R347-V349 HydrophobicContact CG-CG2 4.17Å
350	A	95.1	Very high	91	Very high	59 Å²	59	74.3 Å²	74.3	49%	0.488	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	140.8	-178.6	0	0	0	0	0	111.3	V336	V336-A350 WeakPolarHBondContact O-CA 3.37Å
351	T	96.6	Very high	91.3	Very high	60 Å²	60	72 Å²	72	37%	0.368	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-17.6	176.6	62.3	0	0	0	0	112.7	V336 R338 E353	V336-T351 HydrophobicContact CG1-CG2 4.29Å; V336-T351 PolarHBondContact O-N 3.2Å; V336-T351 PolarHBondContact O-OG1 3.47Å; R338-T351 HydrophobicContact CB-CG2 4.16Å; R338-T351 HydrophobicContact CG-CG2 4.29Å; T351-E353 PolarHBondContact OG1-N 3.42Å
352	G	95.7	Very high	91.9	Very high	70 Å²	70	69 Å²	69	72%	0.722	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	97.9	-15	-170.5	0	0	0	0	0	113.1
353	E	97.7	Very high	93	Very high	129 Å²	129	62.6 Å²	62.6	60%	0.603	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	150.9	174.1	-63.2	169.5	-178.5	0	0	111.3	V336 T351	V336-E353 HydrophobicContact CB-CB 3.93Å; V336-E353 HydrophobicContact CG2-CB 3.8Å; V336-E353 PolarHBondContact N-O 2.95Å; T351-E353 PolarHBondContact OG1-N 3.42Å
354	V	98.1	Very high	94.2	Very high	86 Å²	86	59.9 Å²	59.9	52%	0.521	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	151.3	179.7	-60.8	0	0	0	0	110.9	L318 R333 L334	L318-V354 HydrophobicContact CD1-CG1 3.72Å; R333-V354 HydrophobicContact CG-CB 4.36Å; L334-V354 CarbonylContact O-C 3.51Å; L334-V354 VanDerWaalsContact O-CA 3.28Å; L334-V354 WeakPolarHBondContact O-CA 3.39Å
355	E	97.8	Very high	95.6	Very high	48 Å²	48	50.8 Å²	50.8	22%	0.224	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.1	176.1	179.8	-175.1	158.8	0	0	108.6	R315 L334 V357	R315-E355 IonicContact CZ-OE2 3.54Å; R315-E355 IonicContact NE-OE2 2.76Å; R315-E355 PolarHBondContact NE-OE2 3.02Å; R315-E355 IonicContact NH2-OE2 2.83Å; R315-E355 PolarHBondContact NH2-OE2 3.3Å; L334-E355 PolarHBondContact N-O 2.99Å; L334-E355 PolarHBondContact O-N 3.38Å; E355-V357 HydrophobicContact CG-CG2 4.29Å
356	D	98.4	Very high	96.4	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.444	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.9	173.6	-70.3	-8.1	0	0	0	108.8	L321 R333	L321-D356 HydrophobicContact CD1-CB 4.05Å; R333-D356 WeakPolarHBondContact CA-OD1 3.38Å; R333-D356 VanDerWaalsContact CB-OD1 3.24Å; R333-D356 WeakPolarHBondContact CB-OD1 3.45Å; R333-D356 WeakPolarHBondContact CG-OD1 3.22Å; R333-D356 IonicContact CZ-OD1 3.53Å; R333-D356 IonicContact CZ-OD2 3.42Å; R333-D356 IonicContact NE-OD1 3.64Å; R333-D356 PolarHBondContact NE-OD1 3.02Å; R333-D356 IonicContact NE-OD2 2.69Å; R333-D356 PolarHBondContact NE-OD2 2.82Å; R333-D356 IonicContact NH2-OD1 3.92Å; R333-D356 IonicContact NH2-OD2 3.84Å; R333-D356 PolarHBondContact NH2-OD2 2.99Å
357	V	98.1	Very high	96.5	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.7	177.6	-179.7	0	0	0	0	108.6	V186 L230 G331 I332 L334 E355 C359	V186-V357 HydrophobicContact CG2-CG1 3.99Å; L230-V357 HydrophobicContact CD2-CG1 3.88Å; L230-V357 HydrophobicContact CD2-CG2 4.29Å; G331-V357 CarbonylContact C-O 3.07Å; G331-V357 WeakPolarHBondContact CA-O 3.46Å; I332-V357 HydrophobicContact CG2-CB 4.08Å; I332-V357 PolarHBondContact N-O 3.46Å; I332-V357 PolarHBondContact O-N 3.46Å; L334-V357 HydrophobicContact CD1-CG2 3.8Å; E355-V357 HydrophobicContact CG-CG2 4.29Å; V357-C359 PolarHBondContact O-N 2.96Å
358	E	98.3	Very high	96.6	Very high	168 Å²	168	46.3 Å²	46.3	79%	0.785	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	123.8	173.3	-172	178.8	171.6	0	0	110.4
359	C	98.4	Very high	96.6	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.034	29%	0.289	C	S	.	.			trans	-162.1	145.7	178.9	63.2	0	0	0	0	111.3	T184 V186 A330 G331 V357	T184-C359 HydrophobicContact CG2-CB 4.07Å; T184-C359 WeakPolarHBondContact O-CA 3.35Å; T184-C359 WeakPolarHBondContact O-CB 3.39Å; V186-C359 HydrophobicContact CG2-CB 3.73Å; V186-C359 VanDerWaalsContact CG2-SG 3.59Å; A330-C359 CarbonylContact C-O 3.4Å; A330-C359 WeakPolarHBondContact CA-O 3.26Å; A330-C359 PolarHBondContact O-N 3.45Å; A330-C359 VanDerWaalsContact O-N 3.15Å; G331-C359 PolarHBondContact N-O 3.4Å; G331-C359 VanDerWaalsContact N-O 3.16Å; V357-C359 PolarHBondContact O-N 2.96Å
360	G	97.9	Very high	96.7	Very high	21 Å²	21	47.2 Å²	47.2	22%	0.216	28%	0.28	C	S	.	.	S	Bend	trans	-98.2	-8.4	175.7	0	0	0	0	0	113.9	T184	T184-G360 PolarHBondContact O-N 3.35Å
361	L	98.7	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.7	-176.7	-175.8	65.3	0	0	0	110.1	G156 Y158 L180 A185 V186 L201 I363	G156-L361 WeakPolarHBondContact O-CA 3.34Å; Y158-L361 HydrophobicContact CD2-CD1 3.49Å; Y158-L361 VanDerWaalsContact CD2-CD1 3.49Å; Y158-L361 HydrophobicContact CE2-CD1 3.51Å; L180-L361 HydrophobicContact CD2-CD2 3.78Å; A185-L361 CarbonylContact C-O 3.58Å; A185-L361 WeakPolarHBondContact CA-O 3.32Å; A185-L361 HydrophobicContact CB-CB 3.92Å; A185-L361 HydrophobicContact CB-CD2 3.82Å; A185-L361 HydrophobicContact CB-CG 4.13Å; V186-L361 PolarHBondContact N-O 2.91Å; L201-L361 HydrophobicContact CD1-CD2 4.25Å; L201-L361 HydrophobicContact CD2-CD2 4.21Å; L361-I363 HydrophobicContact CD1-CG1 4.34Å; L361-I363 HydrophobicContact CD2-CD1 4.03Å; L361-I363 HydrophobicContact CG-CD1 4.17Å; L361-I363 HydrophobicContact CG-CG1 4.11Å
362	V	98.8	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.9	175.3	-180	0	0	0	0	109.2	G156 V157 Y158 V186 L188 V320 I332	G156-V362 PolarHBondContact O-N 2.9Å; V157-V362 CarbonylContact C-O 3.54Å; V157-V362 WeakPolarHBondContact CA-O 3.42Å; V157-V362 HydrophobicContact CG1-CB 4.44Å; V157-V362 HydrophobicContact CG1-CG1 4.49Å; V157-V362 HydrophobicContact CG2-CB 4.31Å; Y158-V362 PolarHBondContact N-O 3.14Å; V186-V362 CarbonylContact O-C 3.13Å; V186-V362 WeakPolarHBondContact O-CA 3.46Å; L188-V362 HydrophobicContact CD1-CG1 4Å; L188-V362 HydrophobicContact CG-CG1 4.45Å; V320-V362 HydrophobicContact CG1-CG2 4.39Å; I332-V362 HydrophobicContact CB-CG2 4.42Å; I332-V362 HydrophobicContact CD1-CG1 4Å; I332-V362 HydrophobicContact CD1-CG2 4.49Å
363	I	98.6	Very high	96.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	114.4	-179.1	-57.5	177.5	0	0	0	110.3	Y158 A160 F163 V186 I187 L188 V197 L201 L361 S365	Y158-I363 CarbonylContact O-C 3.58Å; Y158-I363 VanDerWaalsContact O-CA 3.29Å; Y158-I363 WeakPolarHBondContact O-CA 3.38Å; A160-I363 VanDerWaalsContact CA-CG2 3.49Å; A160-I363 HydrophobicContact CB-CG2 3.76Å; F163-I363 HydrophobicContact CD1-CD1 4.26Å; F163-I363 HydrophobicContact CD2-CD1 3.97Å; F163-I363 HydrophobicContact CE1-CD1 4.47Å; F163-I363 HydrophobicContact CE2-CD1 4.18Å; F163-I363 HydrophobicContact CG-CD1 4.01Å; F163-I363 HydrophobicContact CZ-CD1 4.43Å; V186-I363 PolarHBondContact O-N 3Å; I187-I363 CarbonylContact C-O 3.55Å; I187-I363 VanDerWaalsContact CA-O 3.31Å; I187-I363 WeakPolarHBondContact CA-O 3.35Å; I187-I363 HydrophobicContact CG1-CB 4.3Å; L188-I363 PolarHBondContact N-O 3.31Å; V197-I363 HydrophobicContact CG1-CD1 3.44Å; V197-I363 VanDerWaalsContact CG1-CD1 3.44Å; V197-I363 HydrophobicContact CG1-CG2 4.27Å; L201-I363 HydrophobicContact CD1-CD1 4.19Å; L361-I363 HydrophobicContact CD1-CG1 4.34Å; L361-I363 HydrophobicContact CD2-CD1 4.03Å; L361-I363 HydrophobicContact CG-CD1 4.17Å; L361-I363 HydrophobicContact CG-CG1 4.11Å; I363-S365 PolarHBondContact O-N 2.8Å
364	S	98.1	Very high	96.7	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.084	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108.5	177.8	-175.7	0	0	0	0	111.7	Y158 A160 I366	Y158-S364 PolarHBondContact O-N 2.86Å; A160-S364 WeakPolarHBondContact CB-O 3.48Å; A160-S364 PolarHBondContact N-O 3.11Å; S364-I366 WeakPolarHBondContact OG-CG1 3.17Å
365	S	97.3	Very high	96.5	Very high	17 Å²	17	43.9 Å²	43.9	12%	0.119	24%	0.241	C	C	.	.			trans	-111.6	41.5	176.4	-175.7	0	0	0	0	111.9	L188 A194 I363 G367	L188-S365 CarbonylContact O-C 3.55Å; L188-S365 WeakPolarHBondContact O-CA 3.38Å; L188-S365 WeakPolarHBondContact O-CB 3.47Å; L188-S365 PolarHBondContact O-N 2.64Å; A194-S365 PolarHBondContact N-OG 3.49Å; I363-S365 PolarHBondContact O-N 2.8Å; S365-G367 VanDerWaalsContact C-N 3.34Å; S365-G367 PolarHBondContact O-N 3.45Å
366	I	93.5	Very high	96.2	Very high	69 Å²	69	43.3 Å²	43.3	35%	0.354	25%	0.245	S	C	.	.	S	Bend	trans	-92.4	13.8	-174.2	67.5	-178.4	0	0	0	114.5	R145 M147 L188 S364	R145-I366 HydrophobicContact CB-CD1 4.32Å; R145-I366 HydrophobicContact CB-CG1 4.01Å; M147-I366 HydrophobicContact CG-CD1 4.24Å; L188-I366 HydrophobicContact CB-CG2 4.18Å; L188-I366 WeakPolarHBondContact O-CG2 3.43Å; S364-I366 WeakPolarHBondContact OG-CG1 3.17Å
367	G	89.9	Confident	96.2	Very high	29 Å²	29	39.6 Å²	39.6	30%	0.299	23%	0.225	S	C	.	.			trans	103.7	173.3	174	0	0	0	0	0	114.6	R145 S365	R145-G367 WeakPolarHBondContact CB-O 3.33Å; R145-G367 WeakPolarHBondContact CG-O 3.45Å; R145-G367 PolarHBondContact N-O 2.81Å; S365-G367 VanDerWaalsContact C-N 3.34Å; S365-G367 PolarHBondContact O-N 3.45Å
368	Y	92.6	Very high	96.1	Very high	32 Å²	32	40.2 Å²	40.2	13%	0.125	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	176.6	-174.3	-48.4	-69.4	0	0	0	111.4	G143 R145 K161 V193 W404 P409	G143-Y368 CarbonylContact O-C 3.56Å; G143-Y368 WeakPolarHBondContact O-CA 3.3Å; R145-Y368 PolarHBondContact NE-O 3.29Å; K161-Y368 HydrophobicContact CB-CD1 4.19Å; K161-Y368 HydrophobicContact CB-CE1 3.58Å; K161-Y368 HydrophobicContact CD-CD1 3.77Å; K161-Y368 HydrophobicContact CD-CE1 3.88Å; K161-Y368 HydrophobicContact CG-CD1 4.08Å; K161-Y368 HydrophobicContact CG-CE1 3.64Å; V193-Y368 WeakPolarHBondContact CG1-OH 3.22Å; V193-Y368 HydrophobicContact CG2-CE2 4.47Å; Y368-W404 HydrophobicContact CD2-CH2 4.06Å; Y368-W404 AromaticContact CD2-CZ3 3.68Å; Y368-W404 HydrophobicContact CD2-CZ3 3.68Å; Y368-W404 HydrophobicContact CE2-CH2 4.03Å; Y368-W404 HydrophobicContact CE2-CZ3 4Å; Y368-P409 HydrophobicContact CD2-CB 4Å; Y368-P409 HydrophobicContact CG-CB 4.43Å; Y368-P409 VanDerWaalsContact O-CG 3.31Å; Y368-P409 WeakPolarHBondContact O-CG 3.19Å
369	K	94.2	Very high	96	Very high	87 Å²	87	34.7 Å²	34.7	38%	0.378	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	143.7	169.1	67	178.9	-177.8	-176.2	0	110.2	A141 E142 G143 N144 L371 A384	A141-K369 CarbonylContact C-O 3.58Å; E142-K369 PolarHBondContact N-O 3.3Å; G143-K369 WeakPolarHBondContact CA-O 3.42Å; G143-K369 PolarHBondContact N-O 3.4Å; G143-K369 PolarHBondContact O-N 2.67Å; N144-K369 VanDerWaalsContact O-CE 3.27Å; N144-K369 WeakPolarHBondContact O-CE 3.48Å; K369-L371 HydrophobicContact CG-CD2 4.49Å; K369-A384 HydrophobicContact CB-CB 3.53Å
370	S	96.4	Very high	95.9	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	21%	0.213	C	C	.	.			trans	-69	158.9	168	-40.5	0	0	0	0	109.6	G140 F379 A384	G140-S370 PolarHBondContact O-OG 3.34Å; S370-F379 WeakPolarHBondContact O-CZ 3.5Å; S370-A384 WeakPolarHBondContact CB-O 3.3Å; S370-A384 PolarHBondContact N-O 3.33Å; S370-A384 PolarHBondContact OG-O 2.87Å
371	L	95.8	Very high	95.7	Very high	71 Å²	71	39.7 Å²	39.7	37%	0.372	24%	0.236	S	C	.	.			trans	-115.3	145.3	175.2	-60.1	177.4	0	0	0	108.6	Y139 E142 K369 I373	Y139-L371 WeakPolarHBondContact CE2-O 3.35Å; Y139-L371 PolarHBondContact OH-O 3.12Å; E142-L371 HydrophobicContact CB-CD1 4.2Å; K369-L371 HydrophobicContact CG-CD2 4.49Å; L371-I373 PolarHBondContact O-N 3.44Å
372	L	96.8	Very high	95.4	Very high	91 Å²	91	50.8 Å²	50.8	48%	0.476	28%	0.278	S	S	.	.			trans	-66.3	118.1	168.4	179.2	63.1	0	0	0	108	D374 V377 F379	L372-D374 WeakPolarHBondContact CD1-O 3.42Å; L372-V377 HydrophobicContact CD1-CB 4.26Å; L372-V377 VanDerWaalsContact CD1-O 3.28Å; L372-V377 WeakPolarHBondContact CD1-O 3.31Å; L372-F379 HydrophobicContact CB-CD1 4.38Å; L372-F379 HydrophobicContact CB-CG 4.3Å; L372-F379 HydrophobicContact CD1-CB 3.84Å; L372-F379 HydrophobicContact CD1-CG 4.28Å
373	I	95.8	Very high	95.2	Very high	46 Å²	46	57.4 Å²	57.4	24%	0.236	31%	0.306	C	S	.	.			trans	-93.3	-24	-178.2	62.3	164.1	0	0	0	112.8	V49 V119 G120 L137 Y139 L371	V49-I373 HydrophobicContact CG1-CD1 4.26Å; V119-I373 HydrophobicContact CG1-CD1 4.33Å; G120-I373 VanDerWaalsContact CA-O 3.29Å; G120-I373 WeakPolarHBondContact CA-O 3.39Å; L137-I373 HydrophobicContact CD2-CD1 4.38Å; Y139-I373 HydrophobicContact CD1-CD1 3.57Å; Y139-I373 HydrophobicContact CD1-CG1 4.3Å; Y139-I373 HydrophobicContact CD1-CG2 4.39Å; Y139-I373 HydrophobicContact CD2-CG2 3.96Å; Y139-I373 HydrophobicContact CE1-CD1 3.46Å; Y139-I373 VanDerWaalsContact CE1-CD1 3.46Å; Y139-I373 HydrophobicContact CE1-CG1 3.75Å; Y139-I373 HydrophobicContact CE1-CG2 4.18Å; Y139-I373 HydrophobicContact CE2-CG2 3.75Å; Y139-I373 HydrophobicContact CG-CD1 4.35Å; Y139-I373 HydrophobicContact CG-CG2 4.27Å; L371-I373 PolarHBondContact O-N 3.44Å
374	D	96.8	Very high	95.1	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	31%	0.309	C	S	.	.			trans	-154	134	-172	-171.5	-60.7	0	0	0	109.7	T124 V125 L372 A376 V377	T124-D374 WeakPolarHBondContact CA-OD2 3.42Å; T124-D374 WeakPolarHBondContact CB-OD2 3.44Å; V125-D374 HydrophobicContact CB-CB 4.23Å; V125-D374 HydrophobicContact CG2-CB 3.62Å; V125-D374 PolarHBondContact N-OD2 2.95Å; L372-D374 WeakPolarHBondContact CD1-O 3.42Å; D374-A376 PolarHBondContact O-N 3.15Å; D374-A376 PolarHBondContact OD1-N 2.78Å; D374-V377 HydrophobicContact CB-CG2 4.1Å; D374-V377 PolarHBondContact O-N 2.86Å; D374-V377 VanDerWaalsContact O-N 3.07Å
375	P	94.7	Very high	95	Very high	122 Å²	122	58.4 Å²	58.4	79%	0.792	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27	-179.2	-25.3	34.9	0	0	0	115.7	V377	P375-V377 VanDerWaalsContact C-N 3.26Å; P375-V377 PolarHBondContact O-N 2.82Å
376	A	92.1	Very high	95.1	Very high	36 Å²	36	57.6 Å²	57.6	30%	0.298	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.5	177.6	0	0	0	0	0	114.2	E126 D374	E126-A376 HydrophobicContact CG-CB 3.8Å; E126-A376 WeakPolarHBondContact OE1-CB 3.27Å; D374-A376 PolarHBondContact O-N 3.15Å; D374-A376 PolarHBondContact OD1-N 2.78Å
377	V	96.6	Very high	95.3	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.03	30%	0.298	C	S	.	.	S	Bend	trans	-86.3	121.2	-179.5	179.1	0	0	0	0	109.8	V125 L137 L372 D374 P375 I386	V125-V377 HydrophobicContact CB-CG2 4.13Å; V125-V377 HydrophobicContact CG1-CG2 4Å; V125-V377 HydrophobicContact CG2-CG2 3.75Å; L137-V377 HydrophobicContact CD1-CB 4.46Å; L137-V377 HydrophobicContact CD1-CG1 3.7Å; L137-V377 HydrophobicContact CD1-CG2 3.81Å; L372-V377 HydrophobicContact CD1-CB 4.26Å; L372-V377 VanDerWaalsContact CD1-O 3.28Å; L372-V377 WeakPolarHBondContact CD1-O 3.31Å; D374-V377 HydrophobicContact CB-CG2 4.1Å; D374-V377 PolarHBondContact O-N 2.86Å; D374-V377 VanDerWaalsContact O-N 3.07Å; P375-V377 VanDerWaalsContact C-N 3.26Å; P375-V377 PolarHBondContact O-N 2.82Å; V377-I386 HydrophobicContact CG1-CD1 3.77Å; V377-I386 HydrophobicContact CG1-CG1 3.88Å; V377-I386 HydrophobicContact CG1-CG2 4.48Å
378	P	96.3	Very high	95.7	Very high	26 Å²	26	55.9 Å²	55.9	17%	0.169	29%	0.292	C	S	.	.			trans	-64.5	140.4	174	27.8	-34.4	0	0	0	110.4	P387 V393	P378-P387 VanDerWaalsContact O-CD 3.28Å; P378-P387 WeakPolarHBondContact O-CD 3.33Å; P378-V393 HydrophobicContact CG-CG1 3.28Å
379	F	96.9	Very high	95.9	Very high	53 Å²	53	58.4 Å²	58.4	23%	0.232	31%	0.311	C	S	.	.			trans	-145.7	126.6	-172.8	-165.1	-100.9	0	0	0	112.8	S370 L372 A381 A384 I386	S370-F379 WeakPolarHBondContact O-CZ 3.5Å; L372-F379 HydrophobicContact CB-CD1 4.38Å; L372-F379 HydrophobicContact CB-CG 4.3Å; L372-F379 HydrophobicContact CD1-CB 3.84Å; L372-F379 HydrophobicContact CD1-CG 4.28Å; F379-A381 PolarHBondContact O-N 2.66Å; F379-A384 HydrophobicContact CZ-CB 4.22Å; F379-I386 HydrophobicContact CD2-CG1 4.37Å
380	D	96.6	Very high	96.1	Very high	46 Å²	46	59.6 Å²	59.6	25%	0.246	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-86.1	100.6	170.9	-178.2	-25.7	0	0	0	108.4	R382 K383 A384 I385 P387	D380-R382 PolarHBondContact O-N 2.88Å; D380-R382 WeakPolarHBondContact OD1-CA 3.29Å; D380-R382 WeakPolarHBondContact OD1-CB 3.4Å; D380-R382 PolarHBondContact OD1-N 3.22Å; D380-K383 HydrophobicContact CB-CB 4.29Å; D380-K383 PolarHBondContact O-N 3.38Å; D380-K383 PolarHBondContact OD1-N 3.46Å; D380-K383 VanDerWaalsContact OD2-CD 3.26Å; D380-K383 WeakPolarHBondContact OD2-CD 3.3Å; D380-K383 WeakPolarHBondContact OD2-CG 3.43Å; D380-A384 WeakPolarHBondContact O-CA 3.33Å; D380-A384 PolarHBondContact O-N 2.76Å; D380-I385 HydrophobicContact CB-CG1 4.47Å; D380-I385 PolarHBondContact N-O 3.45Å; D380-I385 PolarHBondContact O-N 3.31Å; D380-P387 HydrophobicContact CB-CG 4.19Å
381	A	93.5	Very high	96.1	Very high	84 Å²	84	59.5 Å²	59.5	69%	0.694	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.8	-179.2	0	0	0	0	0	113.8	F379	F379-A381 PolarHBondContact O-N 2.66Å
382	R	92.6	Very high	96.3	Very high	234 Å²	234	59.9 Å²	59.9	88%	0.883	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-46.4	180	-64.6	-176.8	-177.9	-178.4	1.5	111.1	D380	D380-R382 PolarHBondContact O-N 2.88Å; D380-R382 WeakPolarHBondContact OD1-CA 3.29Å; D380-R382 WeakPolarHBondContact OD1-CB 3.4Å; D380-R382 PolarHBondContact OD1-N 3.22Å
383	K	93.6	Very high	96.3	Very high	138 Å²	138	55.9 Å²	55.9	60%	0.6	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-18.8	177	-65.6	-177.7	-170.3	168.9	0	112.7	D380 I385	D380-K383 HydrophobicContact CB-CB 4.29Å; D380-K383 PolarHBondContact O-N 3.38Å; D380-K383 PolarHBondContact OD1-N 3.46Å; D380-K383 VanDerWaalsContact OD2-CD 3.26Å; D380-K383 WeakPolarHBondContact OD2-CD 3.3Å; D380-K383 WeakPolarHBondContact OD2-CG 3.43Å; K383-I385 HydrophobicContact CB-CD1 4.04Å; K383-I385 HydrophobicContact CB-CG1 3.76Å; K383-I385 HydrophobicContact CD-CD1 4.08Å
384	A	96.4	Very high	96.3	Very high	6 Å²	6	57.9 Å²	57.9	5%	0.05	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	49.5	-173.8	0	0	0	0	0	113.2	K369 S370 F379 D380	K369-A384 HydrophobicContact CB-CB 3.53Å; S370-A384 WeakPolarHBondContact CB-O 3.3Å; S370-A384 PolarHBondContact N-O 3.33Å; S370-A384 PolarHBondContact OG-O 2.87Å; F379-A384 HydrophobicContact CZ-CB 4.22Å; D380-A384 WeakPolarHBondContact O-CA 3.33Å; D380-A384 PolarHBondContact O-N 2.76Å
385	I	97.4	Very high	96	Very high	27 Å²	27	67 Å²	67	14%	0.138	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-137.5	164.8	177.4	63.1	176.1	0	0	0	109.7	D380 K383 V405 G408	D380-I385 HydrophobicContact CB-CG1 4.47Å; D380-I385 PolarHBondContact N-O 3.45Å; D380-I385 PolarHBondContact O-N 3.31Å; K383-I385 HydrophobicContact CB-CD1 4.04Å; K383-I385 HydrophobicContact CB-CG1 3.76Å; K383-I385 HydrophobicContact CD-CD1 4.08Å; I385-V405 WeakPolarHBondContact CA-O 3.49Å; I385-V405 WeakPolarHBondContact CB-O 3.44Å; I385-G408 VanDerWaalsContact CG2-N 3.33Å
386	I	98.2	Very high	95.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.316	C	S	.	.			trans	-80.8	123.3	168	-65.3	168.3	0	0	0	108.8	L137 Y139 V377 F379 N388 V393 C401 V405	L137-I386 HydrophobicContact CB-CD1 3.82Å; L137-I386 HydrophobicContact CD1-CD1 3.45Å; L137-I386 VanDerWaalsContact CD1-CD1 3.45Å; L137-I386 HydrophobicContact CG-CD1 4.28Å; Y139-I386 HydrophobicContact CE1-CD1 4.07Å; V377-I386 HydrophobicContact CG1-CD1 3.77Å; V377-I386 HydrophobicContact CG1-CG1 3.88Å; V377-I386 HydrophobicContact CG1-CG2 4.48Å; F379-I386 HydrophobicContact CD2-CG1 4.37Å; I386-N388 PolarHBondContact O-N 2.94Å; I386-N388 PolarHBondContact O-ND2 3.47Å; I386-V393 HydrophobicContact CG2-CB 4.2Å; I386-V393 HydrophobicContact CG2-CG1 3.64Å; I386-V393 HydrophobicContact CG2-CG2 3.61Å; I386-C401 HydrophobicContact CD1-CB 4.24Å; I386-V405 HydrophobicContact CD1-CG2 3.42Å; I386-V405 VanDerWaalsContact CD1-CG2 3.42Å; I386-V405 HydrophobicContact CG1-CG2 3.68Å; I386-V405 PolarHBondContact N-O 2.84Å
387	P	98.1	Very high	95.9	Very high	30 Å²	30	65.3 Å²	65.3	20%	0.195	34%	0.339	C	S	.	.			trans	-58	121	173.8	-22.2	33.5	0	0	0	110.7	P378 D380 Q394	P378-P387 VanDerWaalsContact O-CD 3.28Å; P378-P387 WeakPolarHBondContact O-CD 3.33Å; D380-P387 HydrophobicContact CB-CG 4.19Å; P387-Q394 HydrophobicContact CB-CB 4.41Å; P387-Q394 HydrophobicContact CB-CG 4.39Å; P387-Q394 PolarHBondContact O-N 2.85Å
388	N	98.4	Very high	95.8	Very high	33 Å²	33	65.7 Å²	65.7	18%	0.176	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.1	-173.4	74.1	92.3	0	0	0	112.7	I386 G391 R392 C401 K406	I386-N388 PolarHBondContact O-N 2.94Å; I386-N388 PolarHBondContact O-ND2 3.47Å; N388-G391 PolarHBondContact OD1-N 3.24Å; N388-G391 VanDerWaalsContact OD1-N 3.07Å; N388-R392 CarbonylContact C-O 3.49Å; N388-R392 WeakPolarHBondContact CA-O 3.34Å; N388-R392 VanDerWaalsContact CB-O 3.22Å; N388-R392 WeakPolarHBondContact CB-O 3.47Å; N388-C401 WeakPolarHBondContact CB-SG 3.31Å; N388-C401 VanDerWaalsContact CG-SG 3.55Å; N388-K406 WeakPolarHBondContact ND2-CG 3.16Å; N388-K406 PolarHBondContact ND2-O 2.77Å; N388-K406 VanDerWaalsContact ND2-O 3.17Å; N388-K406 WeakPolarHBondContact OD1-CG 3.24Å
389	T	97.9	Very high	95.9	Very high	85 Å²	85	64.6 Å²	64.6	52%	0.521	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.2	171.1	-58.8	0	0	0	0	108.9	G391 R392	T389-G391 PolarHBondContact O-N 2.97Å; T389-G391 VanDerWaalsContact O-N 3.14Å; T389-R392 PolarHBondContact N-O 3.16Å; T389-R392 WeakPolarHBondContact O-CB 3.36Å; T389-R392 PolarHBondContact O-N 3.39Å
390	M	96.4	Very high	96	Very high	112 Å²	112	62.4 Å²	62.4	55%	0.552	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	31.2	-174.7	-64.4	-62.7	-67.9	0	0	113.3	T426	M390-T426 PolarHBondContact O-OG1 3.26Å
391	G	98	Very high	96.1	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	-7	-178.3	0	0	0	0	0	115.2	N388 T389 Y400 C401	N388-G391 PolarHBondContact OD1-N 3.24Å; N388-G391 VanDerWaalsContact OD1-N 3.07Å; T389-G391 PolarHBondContact O-N 2.97Å; T389-G391 VanDerWaalsContact O-N 3.14Å; G391-Y400 CarbonylContact O-C 3.43Å; G391-Y400 WeakPolarHBondContact O-CA 3.41Å; G391-Y400 WeakPolarHBondContact O-CB 3.48Å; G391-C401 PolarHBondContact O-N 2.91Å
392	R	98.5	Very high	96.4	Very high	79 Å²	79	56.2 Å²	56.2	30%	0.298	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.5	166.7	-62.7	-175.1	-172.1	85.2	-1.6	109.3	N388 T389 Q394 Y400 T426 D430	N388-R392 CarbonylContact C-O 3.49Å; N388-R392 WeakPolarHBondContact CA-O 3.34Å; N388-R392 VanDerWaalsContact CB-O 3.22Å; N388-R392 WeakPolarHBondContact CB-O 3.47Å; T389-R392 PolarHBondContact N-O 3.16Å; T389-R392 WeakPolarHBondContact O-CB 3.36Å; T389-R392 PolarHBondContact O-N 3.39Å; R392-Q394 PolarHBondContact O-N 2.94Å; R392-Y400 HydrophobicContact CG-CD1 4.09Å; R392-Y400 HydrophobicContact CG-CE1 3.73Å; R392-T426 HydrophobicContact CG-CG2 3.83Å; R392-T426 VanDerWaalsContact NH1-CG2 3.26Å; R392-T426 VanDerWaalsContact NH2-CG2 3.29Å; R392-D430 IonicContact CZ-OD1 3.79Å; R392-D430 IonicContact CZ-OD2 2.67Å; R392-D430 IonicContact NE-OD1 2.77Å; R392-D430 PolarHBondContact NE-OD1 3.13Å; R392-D430 VanDerWaalsContact NE-OD1 3.15Å; R392-D430 IonicContact NE-OD2 3.6Å; R392-D430 PolarHBondContact NE-OD2 2.8Å; R392-D430 IonicContact NH2-OD1 2.73Å; R392-D430 PolarHBondContact NH2-OD1 3.39Å; R392-D430 IonicContact NH2-OD2 3.73Å
393	V	98.2	Very high	96.7	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.7	176.8	178.1	0	0	0	0	109.2	P378 I386 L399 C401	P378-V393 HydrophobicContact CG-CG1 3.28Å; I386-V393 HydrophobicContact CG2-CB 4.2Å; I386-V393 HydrophobicContact CG2-CG1 3.64Å; I386-V393 HydrophobicContact CG2-CG2 3.61Å; V393-L399 HydrophobicContact CB-CB 4.09Å; V393-L399 HydrophobicContact CB-CD2 4.11Å; V393-L399 HydrophobicContact CB-CG 4.02Å; V393-L399 WeakPolarHBondContact CB-O 3.44Å; V393-L399 HydrophobicContact CG1-CD2 3.96Å; V393-L399 HydrophobicContact CG1-CG 4.43Å; V393-L399 HydrophobicContact CG2-CB 4.29Å; V393-L399 HydrophobicContact CG2-CD2 4.13Å; V393-L399 HydrophobicContact CG2-CG 3.8Å; V393-L399 PolarHBondContact N-O 2.79Å; V393-C401 HydrophobicContact CG2-CB 4.28Å
394	Q	95.1	Very high	96.9	Very high	88 Å²	88	40.8 Å²	40.8	41%	0.411	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	141.3	-179.8	-68.3	177.5	-5	0	0	109.9	P387 R392 T396	P387-Q394 HydrophobicContact CB-CB 4.41Å; P387-Q394 HydrophobicContact CB-CG 4.39Å; P387-Q394 PolarHBondContact O-N 2.85Å; R392-Q394 PolarHBondContact O-N 2.94Å; Q394-T396 PolarHBondContact O-N 3.25Å; Q394-T396 VanDerWaalsContact O-N 3.08Å
395	Q	89.7	Confident	96.9	Very high	194 Å²	194	40.5 Å²	40.5	91%	0.907	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	5	175.7	-53.3	172	-42.1	0	0	116
396	T	92.5	Very high	97	Very high	29 Å²	29	39.9 Å²	39.9	18%	0.178	21%	0.214	C	C	.	.			trans	-133.2	99.4	-179.6	-45.8	0	0	0	0	110.9	Q129 Q394 L399	Q129-T396 VanDerWaalsContact NE2-CG2 3.3Å; Q394-T396 PolarHBondContact O-N 3.25Å; Q394-T396 VanDerWaalsContact O-N 3.08Å; T396-L399 HydrophobicContact CG2-CB 3.63Å; T396-L399 HydrophobicContact CG2-CD2 3.69Å; T396-L399 HydrophobicContact CG2-CG 4.3Å; T396-L399 PolarHBondContact O-N 2.8Å
397	A	92.8	Very high	96.9	Very high	95 Å²	95	45.2 Å²	45.2	79%	0.785	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	143.8	178.3	0	0	0	0	0	111.7	Q129 L399	Q129-A397 PolarHBondContact NE2-O 3.31Å; A397-L399 PolarHBondContact O-N 3.48Å
398	G	95.6	Very high	96.8	Very high	13 Å²	13	44.1 Å²	44.1	13%	0.134	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-0.7	-177.7	0	0	0	0	0	115.2	A134 V135	A134-G398 CarbonylContact C-O 2.92Å; A134-G398 VanDerWaalsContact CA-O 3.25Å; A134-G398 WeakPolarHBondContact CA-O 3.48Å; V135-G398 PolarHBondContact N-O 2.88Å
399	L	98.4	Very high	96.6	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.6	176	-168.4	65.7	0	0	0	110.8	V125 V135 L137 V393 T396 A397	V125-L399 HydrophobicContact CG1-CD1 4.05Å; V125-L399 HydrophobicContact CG1-CD2 4.41Å; V135-L399 HydrophobicContact CB-CD1 3.71Å; V135-L399 HydrophobicContact CG1-CD1 3.81Å; L137-L399 HydrophobicContact CD1-CD1 3.88Å; L137-L399 HydrophobicContact CD1-CD2 4Å; L137-L399 HydrophobicContact CD1-CG 4.13Å; L137-L399 HydrophobicContact CD2-CD1 4.31Å; L137-L399 HydrophobicContact CG-CD1 3.85Å; L137-L399 HydrophobicContact CG-CG 4.48Å; V393-L399 HydrophobicContact CB-CB 4.09Å; V393-L399 HydrophobicContact CB-CD2 4.11Å; V393-L399 HydrophobicContact CB-CG 4.02Å; V393-L399 WeakPolarHBondContact CB-O 3.44Å; V393-L399 HydrophobicContact CG1-CD2 3.96Å; V393-L399 HydrophobicContact CG1-CG 4.43Å; V393-L399 HydrophobicContact CG2-CB 4.29Å; V393-L399 HydrophobicContact CG2-CD2 4.13Å; V393-L399 HydrophobicContact CG2-CG 3.8Å; V393-L399 PolarHBondContact N-O 2.79Å; T396-L399 HydrophobicContact CG2-CB 3.63Å; T396-L399 HydrophobicContact CG2-CD2 3.69Å; T396-L399 HydrophobicContact CG2-CG 4.3Å; T396-L399 PolarHBondContact O-N 2.8Å; A397-L399 PolarHBondContact O-N 3.48Å
400	Y	98.8	Very high	96.1	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.027	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	167.3	-178.7	-60.7	-98.8	0	0	0	110.4	A134 V135 V136 L137 G391 R392 T426 L427 D430	A134-Y400 HydrophobicContact CB-CD2 4.13Å; A134-Y400 HydrophobicContact CB-CE2 3.9Å; V135-Y400 PolarHBondContact O-N 2.81Å; V136-Y400 CarbonylContact C-O 3.16Å; V136-Y400 WeakPolarHBondContact CA-O 3.46Å; L137-Y400 PolarHBondContact N-O 2.78Å; G391-Y400 CarbonylContact O-C 3.43Å; G391-Y400 WeakPolarHBondContact O-CA 3.41Å; G391-Y400 WeakPolarHBondContact O-CB 3.48Å; R392-Y400 HydrophobicContact CG-CD1 4.09Å; R392-Y400 HydrophobicContact CG-CE1 3.73Å; Y400-T426 HydrophobicContact CE1-CG2 4.43Å; Y400-L427 HydrophobicContact CD1-CB 4.3Å; Y400-L427 HydrophobicContact CD2-CD1 4.08Å; Y400-L427 HydrophobicContact CD2-CG 4.36Å; Y400-L427 HydrophobicContact CE1-CB 4Å; Y400-L427 HydrophobicContact CE1-CG 4.44Å; Y400-L427 HydrophobicContact CE2-CB 4.46Å; Y400-L427 HydrophobicContact CE2-CD1 4.2Å; Y400-L427 HydrophobicContact CE2-CG 4.02Å; Y400-L427 HydrophobicContact CG-CD1 4.45Å; Y400-D430 WeakPolarHBondContact CE1-OD2 3.4Å; Y400-D430 WeakPolarHBondContact OH-CB 3.41Å; Y400-D430 PolarHBondContact OH-OD2 3.03Å
401	C	98.8	Very high	95.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	151.6	171.3	60.8	0	0	0	0	112.4	L137 I386 N388 G391 V393 V405 K406 T423	L137-C401 HydrophobicContact CB-CB 4.25Å; L137-C401 CarbonylContact O-C 3.6Å; L137-C401 WeakPolarHBondContact O-CA 3.05Å; L137-C401 WeakPolarHBondContact O-CB 3.37Å; I386-C401 HydrophobicContact CD1-CB 4.24Å; N388-C401 WeakPolarHBondContact CB-SG 3.31Å; N388-C401 VanDerWaalsContact CG-SG 3.55Å; G391-C401 PolarHBondContact O-N 2.91Å; V393-C401 HydrophobicContact CG2-CB 4.28Å; C401-V405 HydrophobicContact CB-CG1 4.31Å; C401-K406 HydrophobicContact CB-CB 4.25Å; C401-K406 WeakPolarHBondContact O-CD 3.42Å; C401-T423 VanDerWaalsContact O-CG2 3.28Å; C401-T423 WeakPolarHBondContact O-CG2 3.16Å; C401-T423 PolarHBondContact O-OG1 3.16Å
402	S	98.7	Very high	95.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	S	.	.			trans	-142.4	156.2	176.6	61.8	0	0	0	0	112.4	T58 L137 S138 V405	T58-S402 PolarHBondContact OG1-OG 2.92Å; L137-S402 PolarHBondContact O-N 3.22Å; S138-S402 WeakPolarHBondContact CB-OG 3.22Å; S402-V405 WeakPolarHBondContact O-CG1 3.48Å
403	G	98.3	Very high	95.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.01	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-145.7	176.8	0	0	0	0	0	114.2	V405 K406 R407 D419	G403-V405 VanDerWaalsContact C-N 3.31Å; G403-V405 PolarHBondContact O-N 2.77Å; G403-K406 WeakPolarHBondContact O-CB 3.35Å; G403-K406 PolarHBondContact O-N 3.46Å; G403-R407 PolarHBondContact O-N 2.62Å; G403-D419 WeakPolarHBondContact CA-OD2 3.45Å; G403-D419 PolarHBondContact N-OD2 2.72Å
404	W	98.1	Very high	94.9	Very high	46 Å²	46	44.9 Å²	44.9	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-29.3	-171.7	-73.9	-0.8	0	0	0	114.1	L83 A141 Y368 K406 G408 P409 T410	L83-W404 HydrophobicContact CD1-CE3 3.95Å; L83-W404 HydrophobicContact CD1-CH2 3.77Å; L83-W404 HydrophobicContact CD1-CZ3 3.36Å; A141-W404 HydrophobicContact CB-CB 4.3Å; A141-W404 HydrophobicContact CB-CE3 4.01Å; Y368-W404 HydrophobicContact CD2-CH2 4.06Å; Y368-W404 AromaticContact CD2-CZ3 3.68Å; Y368-W404 HydrophobicContact CD2-CZ3 3.68Å; Y368-W404 HydrophobicContact CE2-CH2 4.03Å; Y368-W404 HydrophobicContact CE2-CZ3 4Å; W404-K406 PolarHBondContact O-N 2.8Å; W404-G408 CarbonylContact O-C 3.57Å; W404-G408 WeakPolarHBondContact O-CA 3.17Å; W404-G408 PolarHBondContact O-N 3.29Å; W404-P409 HydrophobicContact CD2-CB 3.82Å; W404-P409 HydrophobicContact CE3-CB 3.61Å; W404-P409 HydrophobicContact CG-CB 4.26Å; W404-P409 HydrophobicContact CH2-CB 4.49Å; W404-P409 HydrophobicContact CZ3-CB 3.97Å; W404-T410 PolarHBondContact NE1-O 3.49Å
405	V	98.1	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-25.1	174.3	68.5	0	0	0	0	112.2	L137 Y139 I385 I386 C401 S402 G403	L137-V405 WeakPolarHBondContact O-CG1 3.34Å; Y139-V405 HydrophobicContact CD1-CG2 4.45Å; Y139-V405 HydrophobicContact CD2-CG2 4.29Å; Y139-V405 HydrophobicContact CE1-CG2 3.79Å; Y139-V405 HydrophobicContact CE2-CB 4.25Å; Y139-V405 HydrophobicContact CE2-CG2 3.59Å; Y139-V405 WeakPolarHBondContact OH-CG2 3.29Å; I385-V405 WeakPolarHBondContact CA-O 3.49Å; I385-V405 WeakPolarHBondContact CB-O 3.44Å; I386-V405 HydrophobicContact CD1-CG2 3.42Å; I386-V405 VanDerWaalsContact CD1-CG2 3.42Å; I386-V405 HydrophobicContact CG1-CG2 3.68Å; I386-V405 PolarHBondContact N-O 2.84Å; C401-V405 HydrophobicContact CB-CG1 4.31Å; S402-V405 WeakPolarHBondContact O-CG1 3.48Å; G403-V405 VanDerWaalsContact C-N 3.31Å; G403-V405 PolarHBondContact O-N 2.77Å
406	K	98.3	Very high	95.3	Very high	14 Å²	14	34.2 Å²	34.2	6%	0.061	22%	0.217	C	C	.	.	H	α-helix	trans	-84	-45.9	176.6	179.6	-165.7	177.9	179.1	0	112.7	N388 C401 G403 W404 D419 T423	N388-K406 WeakPolarHBondContact ND2-CG 3.16Å; N388-K406 PolarHBondContact ND2-O 2.77Å; N388-K406 VanDerWaalsContact ND2-O 3.17Å; N388-K406 WeakPolarHBondContact OD1-CG 3.24Å; C401-K406 HydrophobicContact CB-CB 4.25Å; C401-K406 WeakPolarHBondContact O-CD 3.42Å; G403-K406 WeakPolarHBondContact O-CB 3.35Å; G403-K406 PolarHBondContact O-N 3.46Å; W404-K406 PolarHBondContact O-N 2.8Å; K406-D419 VanDerWaalsContact CD-OD1 3.25Å; K406-D419 WeakPolarHBondContact CD-OD1 3.45Å; K406-D419 WeakPolarHBondContact CD-OD2 3.41Å; K406-D419 WeakPolarHBondContact CE-OD1 3.33Å; K406-D419 PolarHBondContact NZ-O 2.84Å; K406-D419 IonicContact NZ-OD1 3.42Å; K406-D419 PolarHBondContact NZ-OD1 3.28Å; K406-D419 IonicContact NZ-OD2 2.76Å; K406-T423 PolarHBondContact NZ-OG1 2.82Å
407	R	96.7	Very high	95.6	Very high	112 Å²	112	35.3 Å²	35.3	42%	0.423	22%	0.22	S	C	.	.	H	α-helix	trans	-110.6	-8.4	-168.6	-59.7	-156.2	-56	-165.8	-3.6	115.4	G403 T415 D419	G403-R407 PolarHBondContact O-N 2.62Å; R407-T415 VanDerWaalsContact NH2-C 3.32Å; R407-T415 PolarHBondContact NH2-O 2.85Å; R407-D419 VanDerWaalsContact CD-OD1 3.3Å; R407-D419 WeakPolarHBondContact CD-OD1 3.48Å; R407-D419 IonicContact NE-OD1 3.13Å
408	G	95.8	Very high	95.8	Very high	7 Å²	7	35 Å²	35	7%	0.072	21%	0.206	C	C	.	.			trans	88.1	166.1	-167.4	0	0	0	0	0	112.2	I385 W404 T410	I385-G408 VanDerWaalsContact CG2-N 3.33Å; W404-G408 CarbonylContact O-C 3.57Å; W404-G408 WeakPolarHBondContact O-CA 3.17Å; W404-G408 PolarHBondContact O-N 3.29Å; G408-T410 PolarHBondContact O-N 3.46Å
409	P	93.7	Very high	96	Very high	29 Å²	29	34.6 Å²	34.6	19%	0.188	20%	0.2	C	C	.	.	S	Bend	trans	-85.6	60	-169.9	34.7	-35.4	0	0	0	112.7	A141 Y368 W404	A141-P409 HydrophobicContact CB-CB 3.85Å; A141-P409 HydrophobicContact CB-CG 4.31Å; Y368-P409 HydrophobicContact CD2-CB 4Å; Y368-P409 HydrophobicContact CG-CB 4.43Å; Y368-P409 VanDerWaalsContact O-CG 3.31Å; Y368-P409 WeakPolarHBondContact O-CG 3.19Å; W404-P409 HydrophobicContact CD2-CB 3.82Å; W404-P409 HydrophobicContact CE3-CB 3.61Å; W404-P409 HydrophobicContact CG-CB 4.26Å; W404-P409 HydrophobicContact CH2-CB 4.49Å; W404-P409 HydrophobicContact CZ3-CB 3.97Å
410	T	88.4	Confident	96	Very high	98 Å²	98	34.4 Å²	34.4	60%	0.601	20%	0.2	S	C	*	.			trans	-124.7	153.1	175.7	60.6	0	0	0	0	110.2	W404 G408	W404-T410 PolarHBondContact NE1-O 3.49Å; G408-T410 PolarHBondContact O-N 3.46Å
411	G	84	Confident	96	Very high	46 Å²	46	36 Å²	36	47%	0.474	21%	0.207	S	C	.	.	S	Bend	trans	89.5	163.6	177.6	0	0	0	0	0	114.9	T415	G411-T415 WeakPolarHBondContact CA-OG1 3.2Å
412	V	91.6	Very high	95.9	Very high	74 Å²	74	38.2 Å²	38.2	45%	0.448	22%	0.218	S	C	.	.			trans	-91.9	173	-178.7	-61.3	0	0	0	0	111.6	A414 T415 T416	V412-A414 HydrophobicContact CG2-CB 4.21Å; V412-A414 PolarHBondContact O-N 2.9Å; V412-A414 VanDerWaalsContact O-N 3.12Å; V412-T415 HydrophobicContact CG2-CG2 4.09Å; V412-T415 PolarHBondContact N-OG1 3.42Å; V412-T415 VanDerWaalsContact N-OG1 3.16Å; V412-T415 WeakPolarHBondContact O-CB 3.46Å; V412-T415 PolarHBondContact O-N 2.99Å; V412-T415 PolarHBondContact O-OG1 2.67Å; V412-T416 PolarHBondContact O-N 2.77Å
413	I	94.7	Very high	95.9	Very high	35 Å²	35	38.2 Å²	38.2	18%	0.179	22%	0.218	C	C	.	.	H	α-helix	trans	-49.6	-42.1	179.7	-62.8	175.2	0	0	0	112.4	P53 Y57 V84 V88 V95 V98 T415 T416 M417	P53-I413 HydrophobicContact CB-CG2 4.5Å; Y57-I413 HydrophobicContact CE2-CG2 3.88Å; V84-I413 HydrophobicContact CG2-CD1 3.99Å; V88-I413 HydrophobicContact CG2-CD1 4.19Å; V95-I413 HydrophobicContact CG1-CD1 3.58Å; V98-I413 HydrophobicContact CG1-CG2 4.37Å; V98-I413 HydrophobicContact CG2-CD1 4.38Å; I413-T415 VanDerWaalsContact C-N 3.3Å; I413-T415 PolarHBondContact O-N 3.24Å; I413-T416 WeakPolarHBondContact O-CB 3.41Å; I413-T416 PolarHBondContact O-N 2.8Å; I413-T416 VanDerWaalsContact O-N 3.12Å; I413-M417 PolarHBondContact O-N 2.99Å
414	A	95	Very high	96	Very high	51 Å²	51	38.1 Å²	38.1	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-61.4	-35.4	178.1	0	0	0	0	0	113.3	V412 M417 N418	V412-A414 HydrophobicContact CG2-CB 4.21Å; V412-A414 PolarHBondContact O-N 2.9Å; V412-A414 VanDerWaalsContact O-N 3.12Å; A414-M417 WeakPolarHBondContact O-CB 3.25Å; A414-M417 PolarHBondContact O-N 2.8Å; A414-N418 PolarHBondContact O-N 3.42Å
415	T	95.1	Very high	96	Very high	47 Å²	47	42.1 Å²	42.1	29%	0.288	23%	0.233	S	C	.	.	H	α-helix	trans	-71.2	-34.9	175.9	67.5	0	0	0	0	111.7	R407 G411 V412 I413 D419	R407-T415 VanDerWaalsContact NH2-C 3.32Å; R407-T415 PolarHBondContact NH2-O 2.85Å; G411-T415 WeakPolarHBondContact CA-OG1 3.2Å; V412-T415 HydrophobicContact CG2-CG2 4.09Å; V412-T415 PolarHBondContact N-OG1 3.42Å; V412-T415 VanDerWaalsContact N-OG1 3.16Å; V412-T415 WeakPolarHBondContact O-CB 3.46Å; V412-T415 PolarHBondContact O-N 2.99Å; V412-T415 PolarHBondContact O-OG1 2.67Å; I413-T415 VanDerWaalsContact C-N 3.3Å; I413-T415 PolarHBondContact O-N 3.24Å; T415-D419 WeakPolarHBondContact O-CB 3.3Å; T415-D419 PolarHBondContact O-N 2.8Å
416	T	98.1	Very high	96	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-38.7	173.9	-60.8	0	0	0	0	111.3	P53 A54 V412 I413 D419 S420	P53-T416 HydrophobicContact CB-CG2 4.15Å; A54-T416 HydrophobicContact CB-CG2 3.76Å; V412-T416 PolarHBondContact O-N 2.77Å; I413-T416 WeakPolarHBondContact O-CB 3.41Å; I413-T416 PolarHBondContact O-N 2.8Å; I413-T416 VanDerWaalsContact O-N 3.12Å; T416-D419 PolarHBondContact O-N 3Å; T416-S420 VanDerWaalsContact O-CB 3.3Å; T416-S420 WeakPolarHBondContact O-CB 3.22Å; T416-S420 PolarHBondContact O-N 3.45Å; T416-S420 PolarHBondContact O-OG 2.89Å
417	M	98.2	Very high	96	Very high	52 Å²	52	41.8 Å²	41.8	26%	0.256	23%	0.232	S	C	.	.	H	α-helix	trans	-56.5	-55.7	175.1	178.9	-179.7	71.9	0	0	111.6	Y57 I413 A414 D419 S420 F421	Y57-M417 HydrophobicContact CD1-CB 4.17Å; Y57-M417 HydrophobicContact CD1-CG 3.58Å; Y57-M417 HydrophobicContact CD1-SD 4.23Å; Y57-M417 VanDerWaalsContact CD2-CA 3.48Å; Y57-M417 HydrophobicContact CD2-CB 3.62Å; Y57-M417 HydrophobicContact CD2-CG 4Å; Y57-M417 HydrophobicContact CE1-CB 4.09Å; Y57-M417 HydrophobicContact CE1-CG 3.55Å; Y57-M417 HydrophobicContact CE1-SD 3.64Å; Y57-M417 HydrophobicContact CE2-CB 3.54Å; Y57-M417 HydrophobicContact CE2-CG 3.98Å; Y57-M417 HydrophobicContact CG-CB 3.95Å; Y57-M417 HydrophobicContact CG-CG 3.81Å; I413-M417 PolarHBondContact O-N 2.99Å; A414-M417 WeakPolarHBondContact O-CB 3.25Å; A414-M417 PolarHBondContact O-N 2.8Å; M417-D419 VanDerWaalsContact C-N 3.33Å; M417-D419 PolarHBondContact O-N 3Å; M417-S420 PolarHBondContact O-N 3.04Å; M417-S420 VanDerWaalsContact O-N 3.16Å; M417-F421 HydrophobicContact CE-CE2 4.49Å; M417-F421 HydrophobicContact CG-CD2 4.11Å; M417-F421 HydrophobicContact CG-CE1 4.12Å; M417-F421 HydrophobicContact CG-CE2 3.46Å; M417-F421 VanDerWaalsContact CG-CE2 3.46Å; M417-F421 HydrophobicContact CG-CZ 3.48Å; M417-F421 VanDerWaalsContact CG-CZ 3.48Å; M417-F421 WeakPolarHBondContact O-CG 3.31Å; M417-F421 PolarHBondContact O-N 3.12Å; M417-F421 HydrophobicContact SD-CE2 3.97Å; M417-F421 HydrophobicContact SD-CZ 4.06Å
418	N	98	Very high	96.1	Very high	89 Å²	89	37.3 Å²	37.3	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-60.3	-43.9	-178.8	-68.8	-22.1	0	0	0	111.8	A414 S420 F421 D422	A414-N418 PolarHBondContact O-N 3.42Å; N418-S420 VanDerWaalsContact C-N 3.31Å; N418-S420 PolarHBondContact O-N 2.83Å; N418-F421 WeakPolarHBondContact O-CB 3.44Å; N418-F421 PolarHBondContact O-N 2.79Å; N418-D422 VanDerWaalsContact O-CG 3.27Å; N418-D422 PolarHBondContact O-N 2.69Å
419	D	98.4	Very high	96.1	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-61.6	-38	176.9	177.4	66.7	0	0	0	113.4	G403 K406 R407 T415 T416 M417 D422 T423	G403-D419 WeakPolarHBondContact CA-OD2 3.45Å; G403-D419 PolarHBondContact N-OD2 2.72Å; K406-D419 VanDerWaalsContact CD-OD1 3.25Å; K406-D419 WeakPolarHBondContact CD-OD1 3.45Å; K406-D419 WeakPolarHBondContact CD-OD2 3.41Å; K406-D419 WeakPolarHBondContact CE-OD1 3.33Å; K406-D419 PolarHBondContact NZ-O 2.84Å; K406-D419 IonicContact NZ-OD1 3.42Å; K406-D419 PolarHBondContact NZ-OD1 3.28Å; K406-D419 IonicContact NZ-OD2 2.76Å; R407-D419 VanDerWaalsContact CD-OD1 3.3Å; R407-D419 WeakPolarHBondContact CD-OD1 3.48Å; R407-D419 IonicContact NE-OD1 3.13Å; T415-D419 WeakPolarHBondContact O-CB 3.3Å; T415-D419 PolarHBondContact O-N 2.8Å; T416-D419 PolarHBondContact O-N 3Å; M417-D419 VanDerWaalsContact C-N 3.33Å; M417-D419 PolarHBondContact O-N 3Å; D419-D422 WeakPolarHBondContact O-CB 3.31Å; D419-D422 PolarHBondContact O-N 3.04Å; D419-T423 PolarHBondContact O-N 2.77Å; D419-T423 PolarHBondContact O-OG1 2.79Å
420	S	98.7	Very high	96.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-71.6	-35.1	178.9	-55.8	0	0	0	0	111.5	A54 T58 T416 M417 N418 A424	A54-S420 VanDerWaalsContact CA-OG 3.3Å; A54-S420 WeakPolarHBondContact CA-OG 3.37Å; A54-S420 PolarHBondContact O-OG 3.35Å; T58-S420 WeakPolarHBondContact OG1-CB 3.33Å; T58-S420 PolarHBondContact OG1-O 3.22Å; T416-S420 VanDerWaalsContact O-CB 3.3Å; T416-S420 WeakPolarHBondContact O-CB 3.22Å; T416-S420 PolarHBondContact O-N 3.45Å; T416-S420 PolarHBondContact O-OG 2.89Å; M417-S420 PolarHBondContact O-N 3.04Å; M417-S420 VanDerWaalsContact O-N 3.16Å; N418-S420 VanDerWaalsContact C-N 3.31Å; N418-S420 PolarHBondContact O-N 2.83Å; S420-A424 WeakPolarHBondContact O-CB 3.49Å; S420-A424 PolarHBondContact O-N 3.48Å
421	F	98.6	Very high	96.6	Very high	41 Å²	41	36.6 Å²	36.6	18%	0.18	20%	0.202	C	C	.	.	H	α-helix	trans	-65.3	-38.9	169.9	-64.5	-13.6	0	0	0	111.4	Y57 H61 M417 N418 A424 R425	Y57-F421 AromaticContact CD1-CE1 3.9Å; Y57-F421 HydrophobicContact CD1-CE1 3.9Å; Y57-F421 AromaticContact CD1-CZ 3.97Å; Y57-F421 HydrophobicContact CD1-CZ 3.97Å; Y57-F421 HydrophobicContact CG-CE1 4.28Å; Y57-F421 WeakPolarHBondContact O-CE1 3.34Å; H61-F421 HydrophobicContact CB-CD1 3.7Å; H61-F421 HydrophobicContact CB-CE1 4.13Å; H61-F421 AromaticContact CG-CD1 3.96Å; H61-F421 AromaticContact ND1-CD1 3.6Å; H61-F421 AromaticContact ND1-CG 3.63Å; M417-F421 HydrophobicContact CE-CE2 4.49Å; M417-F421 HydrophobicContact CG-CD2 4.11Å; M417-F421 HydrophobicContact CG-CE1 4.12Å; M417-F421 HydrophobicContact CG-CE2 3.46Å; M417-F421 VanDerWaalsContact CG-CE2 3.46Å; M417-F421 HydrophobicContact CG-CZ 3.48Å; M417-F421 VanDerWaalsContact CG-CZ 3.48Å; M417-F421 WeakPolarHBondContact O-CG 3.31Å; M417-F421 PolarHBondContact O-N 3.12Å; M417-F421 HydrophobicContact SD-CE2 3.97Å; M417-F421 HydrophobicContact SD-CZ 4.06Å; N418-F421 WeakPolarHBondContact O-CB 3.44Å; N418-F421 PolarHBondContact O-N 2.79Å; F421-A424 PolarHBondContact O-N 2.83Å; F421-R425 WeakPolarHBondContact O-CB 3.34Å; F421-R425 WeakPolarHBondContact O-CG 3.14Å; F421-R425 PolarHBondContact O-N 2.79Å
422	D	98.5	Very high	97.1	Very high	45 Å²	45	37.2 Å²	37.2	24%	0.241	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-45.3	175.3	-66.6	-22.5	0	0	0	112.1	N418 D419 R425 T426	N418-D422 VanDerWaalsContact O-CG 3.27Å; N418-D422 PolarHBondContact O-N 2.69Å; D419-D422 WeakPolarHBondContact O-CB 3.31Å; D419-D422 PolarHBondContact O-N 3.04Å; D422-R425 PolarHBondContact O-N 3.07Å; D422-R425 IonicContact OD1-CZ 2.8Å; D422-R425 IonicContact OD1-NE 2.72Å; D422-R425 IonicContact OD1-NH2 3.29Å; D422-R425 PolarHBondContact OD1-NH2 3.16Å; D422-T426 WeakPolarHBondContact O-CB 3.38Å; D422-T426 PolarHBondContact O-N 2.99Å; D422-T426 PolarHBondContact O-OG1 2.83Å
423	T	98.8	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-43.9	174.6	-66.5	0	0	0	0	111.1	V136 C401 K406 D419 R425 T426 L427	V136-T423 HydrophobicContact CG1-CG2 4.11Å; C401-T423 VanDerWaalsContact O-CG2 3.28Å; C401-T423 WeakPolarHBondContact O-CG2 3.16Å; C401-T423 PolarHBondContact O-OG1 3.16Å; K406-T423 PolarHBondContact NZ-OG1 2.82Å; D419-T423 PolarHBondContact O-N 2.77Å; D419-T423 PolarHBondContact O-OG1 2.79Å; T423-R425 PolarHBondContact O-N 3.2Å; T423-T426 WeakPolarHBondContact O-CB 3.35Å; T423-T426 PolarHBondContact O-N 3.04Å; T423-L427 PolarHBondContact O-N 3.42Å
424	A	98.6	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-45.2	177.7	0	0	0	0	0	112	T58 H61 L62 S420 F421 T426 L427 L428	T58-A424 HydrophobicContact CG2-CB 4.3Å; H61-A424 HydrophobicContact CB-CB 3.65Å; L62-A424 HydrophobicContact CD2-CB 4.14Å; L62-A424 HydrophobicContact CG-CB 4.2Å; S420-A424 WeakPolarHBondContact O-CB 3.49Å; S420-A424 PolarHBondContact O-N 3.48Å; F421-A424 PolarHBondContact O-N 2.83Å; A424-T426 VanDerWaalsContact C-N 3.27Å; A424-T426 PolarHBondContact O-N 3.43Å; A424-L427 PolarHBondContact O-N 3.32Å; A424-L428 VanDerWaalsContact O-CG 3.3Å; A424-L428 WeakPolarHBondContact O-CG 3.25Å; A424-L428 PolarHBondContact O-N 2.92Å
425	R	98.5	Very high	96.9	Very high	130 Å²	130	44.6 Å²	44.6	49%	0.491	25%	0.249	S	C	.	.	H	α-helix	trans	-57.9	-41.7	174.7	-74.5	-169.2	-68.9	-172.1	0.7	112	H61 F421 D422 T423 L428 Q429	H61-R425 VanDerWaalsContact NE2-CG 3.29Å; H61-R425 WeakPolarHBondContact NE2-CG 3.27Å; F421-R425 WeakPolarHBondContact O-CB 3.34Å; F421-R425 WeakPolarHBondContact O-CG 3.14Å; F421-R425 PolarHBondContact O-N 2.79Å; D422-R425 PolarHBondContact O-N 3.07Å; D422-R425 IonicContact OD1-CZ 2.8Å; D422-R425 IonicContact OD1-NE 2.72Å; D422-R425 IonicContact OD1-NH2 3.29Å; D422-R425 PolarHBondContact OD1-NH2 3.16Å; T423-R425 PolarHBondContact O-N 3.2Å; R425-L428 PolarHBondContact O-N 2.8Å; R425-Q429 WeakPolarHBondContact O-CB 3.46Å; R425-Q429 VanDerWaalsContact O-CG 3.24Å; R425-Q429 WeakPolarHBondContact O-CG 3.48Å; R425-Q429 PolarHBondContact O-N 3.06Å
426	T	98.4	Very high	96.8	Very high	7 Å²	7	43 Å²	43	4%	0.043	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-46.9	178.2	-60.4	0	0	0	0	111.3	M390 R392 Y400 D422 T423 A424 Q429 D430	M390-T426 PolarHBondContact O-OG1 3.26Å; R392-T426 HydrophobicContact CG-CG2 3.83Å; R392-T426 VanDerWaalsContact NH1-CG2 3.26Å; R392-T426 VanDerWaalsContact NH2-CG2 3.29Å; Y400-T426 HydrophobicContact CE1-CG2 4.43Å; D422-T426 WeakPolarHBondContact O-CB 3.38Å; D422-T426 PolarHBondContact O-N 2.99Å; D422-T426 PolarHBondContact O-OG1 2.83Å; T423-T426 WeakPolarHBondContact O-CB 3.35Å; T423-T426 PolarHBondContact O-N 3.04Å; A424-T426 VanDerWaalsContact C-N 3.27Å; A424-T426 PolarHBondContact O-N 3.43Å; T426-Q429 WeakPolarHBondContact O-CB 3.44Å; T426-Q429 PolarHBondContact O-N 3.31Å; T426-D430 PolarHBondContact O-N 3.37Å; T426-D430 VanDerWaalsContact O-N 3.07Å
427	L	98.4	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-46.6	175.2	-174.3	165.3	0	0	0	111.3	V46 L62 A134 V136 Y400 T423 A424 Q429 D430 I431	V46-L427 HydrophobicContact CG1-CD1 3.97Å; V46-L427 HydrophobicContact CG2-CD1 4.43Å; V46-L427 HydrophobicContact CG2-CD2 4.28Å; L62-L427 HydrophobicContact CD2-CD2 3.99Å; A134-L427 HydrophobicContact CB-CD1 3.82Å; A134-L427 HydrophobicContact CB-CG 4.25Å; V136-L427 HydrophobicContact CG2-CD1 3.82Å; Y400-L427 HydrophobicContact CD1-CB 4.3Å; Y400-L427 HydrophobicContact CD2-CD1 4.08Å; Y400-L427 HydrophobicContact CD2-CG 4.36Å; Y400-L427 HydrophobicContact CE1-CB 4Å; Y400-L427 HydrophobicContact CE1-CG 4.44Å; Y400-L427 HydrophobicContact CE2-CB 4.46Å; Y400-L427 HydrophobicContact CE2-CD1 4.2Å; Y400-L427 HydrophobicContact CE2-CG 4.02Å; Y400-L427 HydrophobicContact CG-CD1 4.45Å; T423-L427 PolarHBondContact O-N 3.42Å; A424-L427 PolarHBondContact O-N 3.32Å; L427-Q429 VanDerWaalsContact C-N 3.29Å; L427-Q429 PolarHBondContact O-N 2.95Å; L427-D430 WeakPolarHBondContact O-CB 3.45Å; L427-D430 PolarHBondContact O-N 3.28Å; L427-D430 VanDerWaalsContact O-N 3.09Å; L427-I431 HydrophobicContact CD2-CD1 3.5Å; L427-I431 HydrophobicContact CD2-CG1 4.13Å; L427-I431 PolarHBondContact O-N 3.23Å
428	L	97.6	Very high	96.2	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-34.2	179.1	-66.6	-175.2	0	0	0	113	L62 T65 R66 V69 A424 R425 I431 G432	L62-L428 HydrophobicContact CD2-CD1 4.32Å; L62-L428 HydrophobicContact CD2-CD2 3.53Å; L62-L428 HydrophobicContact CD2-CG 3.76Å; T65-L428 HydrophobicContact CG2-CD1 3.48Å; T65-L428 VanDerWaalsContact CG2-CD1 3.48Å; R66-L428 VanDerWaalsContact CD-CD2 3.45Å; R66-L428 HydrophobicContact CG-CD1 4.39Å; R66-L428 HydrophobicContact CG-CD2 4.06Å; V69-L428 HydrophobicContact CG2-CD2 4.32Å; A424-L428 VanDerWaalsContact O-CG 3.3Å; A424-L428 WeakPolarHBondContact O-CG 3.25Å; A424-L428 PolarHBondContact O-N 2.92Å; R425-L428 PolarHBondContact O-N 2.8Å; L428-I431 HydrophobicContact CD2-CD1 4.31Å; L428-G432 PolarHBondContact O-N 3.39Å
429	Q	97.1	Very high	95.7	Very high	102 Å²	102	46 Å²	46	48%	0.477	26%	0.264	S	S	.	.	H	α-helix	trans	-65.1	-39.5	172.4	-75.3	171.6	3.9	0	0	111.6	R425 T426 L427 G432 K433	R425-Q429 WeakPolarHBondContact O-CB 3.46Å; R425-Q429 VanDerWaalsContact O-CG 3.24Å; R425-Q429 WeakPolarHBondContact O-CG 3.48Å; R425-Q429 PolarHBondContact O-N 3.06Å; T426-Q429 WeakPolarHBondContact O-CB 3.44Å; T426-Q429 PolarHBondContact O-N 3.31Å; L427-Q429 VanDerWaalsContact C-N 3.29Å; L427-Q429 PolarHBondContact O-N 2.95Å; Q429-G432 PolarHBondContact O-N 3.4Å; Q429-K433 WeakPolarHBondContact O-CB 3.05Å; Q429-K433 WeakPolarHBondContact O-CG 3.47Å; Q429-K433 PolarHBondContact O-N 2.92Å
430	D	97	Very high	95.3	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-67.2	-38.5	178.7	-66.5	-19.1	0	0	0	111.7	R392 Y400 T426 L427 G434 T435 L436	R392-D430 IonicContact CZ-OD1 3.79Å; R392-D430 IonicContact CZ-OD2 2.67Å; R392-D430 IonicContact NE-OD1 2.77Å; R392-D430 PolarHBondContact NE-OD1 3.13Å; R392-D430 VanDerWaalsContact NE-OD1 3.15Å; R392-D430 IonicContact NE-OD2 3.6Å; R392-D430 PolarHBondContact NE-OD2 2.8Å; R392-D430 IonicContact NH2-OD1 2.73Å; R392-D430 PolarHBondContact NH2-OD1 3.39Å; R392-D430 IonicContact NH2-OD2 3.73Å; Y400-D430 WeakPolarHBondContact CE1-OD2 3.4Å; Y400-D430 WeakPolarHBondContact OH-CB 3.41Å; Y400-D430 PolarHBondContact OH-OD2 3.03Å; T426-D430 PolarHBondContact O-N 3.37Å; T426-D430 VanDerWaalsContact O-N 3.07Å; L427-D430 WeakPolarHBondContact O-CB 3.45Å; L427-D430 PolarHBondContact O-N 3.28Å; L427-D430 VanDerWaalsContact O-N 3.09Å; D430-G434 PolarHBondContact O-N 3.03Å; D430-T435 PolarHBondContact O-N 2.76Å; D430-L436 HydrophobicContact CB-CB 4.16Å; D430-L436 PolarHBondContact O-N 3.43Å
431	I	95.3	Very high	95	Very high	12 Å²	12	55.4 Å²	55.4	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-60.8	-50.6	169.6	-64.9	174.2	0	0	0	110.1	A44 L427 L428 K433 G434 L436 V438	A44-I431 HydrophobicContact CB-CD1 3.99Å; L427-I431 HydrophobicContact CD2-CD1 3.5Å; L427-I431 HydrophobicContact CD2-CG1 4.13Å; L427-I431 PolarHBondContact O-N 3.23Å; L428-I431 HydrophobicContact CD2-CD1 4.31Å; I431-K433 VanDerWaalsContact C-N 3.27Å; I431-K433 PolarHBondContact O-N 3.22Å; I431-G434 PolarHBondContact O-N 3.26Å; I431-G434 VanDerWaalsContact O-N 3.13Å; I431-L436 HydrophobicContact CD1-CD2 4.45Å; I431-L436 HydrophobicContact CG1-CB 4.34Å; I431-L436 HydrophobicContact CG1-CD2 3.83Å; I431-V438 HydrophobicContact CG1-CG1 4.08Å; I431-V438 HydrophobicContact CG2-CG1 4.26Å; I431-V438 HydrophobicContact CG2-CG2 4.11Å
432	G	93.6	Very high	94.9	Very high	60 Å²	60	55.6 Å²	55.6	62%	0.619	32%	0.322	S	S	*	.	H	α-helix	trans	-63.9	-29.4	-176.7	0	0	0	0	0	114.2	L428 Q429	L428-G432 PolarHBondContact O-N 3.39Å; Q429-G432 PolarHBondContact O-N 3.4Å
433	K	94.6	Very high	94.8	Very high	155 Å²	155	56.3 Å²	56.3	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-5.6	177.1	-70.3	178.9	178.5	-177.9	0	113.8	Q429 I431 T435	Q429-K433 WeakPolarHBondContact O-CB 3.05Å; Q429-K433 WeakPolarHBondContact O-CG 3.47Å; Q429-K433 PolarHBondContact O-N 2.92Å; I431-K433 VanDerWaalsContact C-N 3.27Å; I431-K433 PolarHBondContact O-N 3.22Å; K433-T435 PolarHBondContact O-N 3.47Å
434	G	91.6	Very high	94.7	Very high	58 Å²	58	56.3 Å²	56.3	60%	0.598	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	15.7	-172.1	0	0	0	0	0	114	D430 I431 L436	D430-G434 PolarHBondContact O-N 3.03Å; I431-G434 PolarHBondContact O-N 3.26Å; I431-G434 VanDerWaalsContact O-N 3.13Å; G434-L436 VanDerWaalsContact C-N 3.27Å
435	T	92.4	Very high	94.5	Very high	102 Å²	102	57.6 Å²	57.6	63%	0.626	34%	0.338	S	S	*	.	S	Bend	trans	-68.6	-33.2	170.7	-53.5	0	0	0	0	110.6	D430 K433	D430-T435 PolarHBondContact O-N 2.76Å; K433-T435 PolarHBondContact O-N 3.47Å
436	L	92.3	Very high	94.4	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.073	35%	0.349	C	S	.	.	S	Bend	trans	-99.4	116.2	167.3	-164.6	74.4	0	0	0	109.1	H133 A134 D430 I431 G434 V438	H133-L436 HydrophobicContact CB-CD2 4.23Å; H133-L436 WeakPolarHBondContact O-CD1 3.44Å; A134-L436 HydrophobicContact CB-CD2 3.83Å; D430-L436 HydrophobicContact CB-CB 4.16Å; D430-L436 PolarHBondContact O-N 3.43Å; I431-L436 HydrophobicContact CD1-CD2 4.45Å; I431-L436 HydrophobicContact CG1-CB 4.34Å; I431-L436 HydrophobicContact CG1-CD2 3.83Å; G434-L436 VanDerWaalsContact C-N 3.27Å; L436-V438 HydrophobicContact CD2-CG1 4.27Å; L436-V438 HydrophobicContact CG-CG1 4.48Å; L436-V438 PolarHBondContact O-N 3.48Å
437	D	90.1	Very high	94.2	Very high	85 Å²	85	59.5 Å²	59.5	46%	0.455	36%	0.359	S	S	.	.			trans	-71.9	114.1	175.1	178.8	22.5	0	0	0	110.6	H133 S439 T440	H133-D437 PolarHBondContact CD2-O 2.85Å; D437-S439 VanDerWaalsContact OD1-CB 3.27Å; D437-S439 WeakPolarHBondContact OD1-CB 3.35Å; D437-S439 PolarHBondContact OD1-N 3.17Å; D437-S439 PolarHBondContact OD1-OG 2.95Å; D437-T440 WeakPolarHBondContact OD2-CG2 3.28Å
438	V	93.3	Very high	94.2	Very high	34 Å²	34	59.5 Å²	59.5	21%	0.206	36%	0.359	C	S	.	.			trans	-113.8	10.8	175.3	-60.9	0	0	0	0	112.5	S42 A44 H133 I431 L436	S42-V438 PolarHBondContact OG-O 3.5Å; A44-V438 HydrophobicContact CB-CB 4.36Å; A44-V438 HydrophobicContact CB-CG1 3.91Å; H133-V438 HydrophobicContact CB-CG1 4.15Å; I431-V438 HydrophobicContact CG1-CG1 4.08Å; I431-V438 HydrophobicContact CG2-CG1 4.26Å; I431-V438 HydrophobicContact CG2-CG2 4.11Å; L436-V438 HydrophobicContact CD2-CG1 4.27Å; L436-V438 HydrophobicContact CG-CG1 4.48Å; L436-V438 PolarHBondContact O-N 3.48Å
439	S	89	Confident	94.1	Very high	95 Å²	95	61 Å²	61	66%	0.664	37%	0.37	S	S	*	.	S	Bend	trans	-80.3	-27.3	176.9	72.5	0	0	0	0	112.2	D437	D437-S439 VanDerWaalsContact OD1-CB 3.27Å; D437-S439 WeakPolarHBondContact OD1-CB 3.35Å; D437-S439 PolarHBondContact OD1-N 3.17Å; D437-S439 PolarHBondContact OD1-OG 2.95Å
440	T	88.9	Confident	94	Very high	64 Å²	64	59 Å²	59	39%	0.393	37%	0.371	S	S	.	.	S	Bend	trans	-73.7	135.9	176.6	48.1	0	0	0	0	111.4	H133 D437 K442	H133-T440 PolarHBondContact NE2-O 3.1Å; D437-T440 WeakPolarHBondContact OD2-CG2 3.28Å; T440-K442 PolarHBondContact O-N 2.72Å
441	V	92.6	Very high	94	Very high	137 Å²	137	61.5 Å²	61.5	83%	0.83	38%	0.384	S	S	*	.			trans	-75.7	113	177	179.5	0	0	0	0	109.2
442	K	95.7	Very high	94.2	Very high	46 Å²	46	61 Å²	61	20%	0.2	38%	0.381	C	S	.	.			trans	-97	138.8	175.8	-72	-73.7	-175.7	159.1	0	111.4	K45 Q129 E130 A131 Y132 H133 T440	K45-K442 WeakPolarHBondContact CD-O 3.31Å; K45-K442 VanDerWaalsContact CE-O 3.25Å; K45-K442 WeakPolarHBondContact CE-O 3.36Å; K45-K442 PolarHBondContact NZ-O 3.22Å; Q129-K442 PolarHBondContact O-NZ 3.33Å; E130-K442 WeakPolarHBondContact O-CD 3.32Å; E130-K442 PolarHBondContact O-NZ 2.97Å; A131-K442 WeakPolarHBondContact O-CB 3.45Å; Y132-K442 WeakPolarHBondContact O-CD 3.38Å; Y132-K442 WeakPolarHBondContact O-CE 3.35Å; Y132-K442 PolarHBondContact O-NZ 3.46Å; H133-K442 VanDerWaalsContact CD2-CG 3.44Å; H133-K442 WeakPolarHBondContact CD2-CG 3.11Å; H133-K442 WeakPolarHBondContact NE2-CG 3.42Å; T440-K442 PolarHBondContact O-N 2.72Å
443	P	96.1	Very high	94.3	Very high	59 Å²	59	65.6 Å²	65.6	38%	0.383	39%	0.387	S	S	.	.			trans	-71.6	-29.7	-178.4	28.6	-35	0	0	0	113.1	K45 A131	K45-P443 VanDerWaalsContact NZ-C 3.28Å; K45-P443 PolarHBondContact NZ-O 2.76Å; A131-P443 HydrophobicContact CB-CG 4.25Å; A131-P443 WeakPolarHBondContact O-CD 3.37Å
444	G	97	Very high	94.4	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	-143.2	-176.4	0	0	0	0	0	112.7	A131 Q446 G447 V448	A131-G444 VanDerWaalsContact O-CA 3.24Å; A131-G444 WeakPolarHBondContact O-CA 3.2Å; A131-G444 PolarHBondContact O-N 2.75Å; G444-Q446 PolarHBondContact O-N 2.73Å; G444-Q446 VanDerWaalsContact O-N 3.11Å; G444-G447 PolarHBondContact O-N 2.97Å; G444-V448 PolarHBondContact O-N 3.28Å
445	S	96.1	Very high	94.7	Very high	28 Å²	28	69.8 Å²	69.8	20%	0.196	39%	0.386	C	S	.	.	H	α-helix	trans	-57.3	-26.5	-179	42.6	0	0	0	0	114	D72 Y132 V448 S449	D72-S445 WeakPolarHBondContact OD2-CB 3.49Å; D72-S445 PolarHBondContact OD2-N 3.26Å; D72-S445 PolarHBondContact OD2-OG 3.37Å; Y132-S445 VanDerWaalsContact OH-CA 3.23Å; Y132-S445 WeakPolarHBondContact OH-CA 3.24Å; Y132-S445 PolarHBondContact OH-N 3.15Å; S445-V448 PolarHBondContact O-N 2.45Å; S445-S449 WeakPolarHBondContact O-CB 3.32Å; S445-S449 PolarHBondContact O-N 3.08Å; S445-S449 PolarHBondContact O-OG 3.08Å
446	Q	95.3	Very high	94.9	Very high	153 Å²	153	67.8 Å²	67.8	72%	0.715	39%	0.386	S	S	*	.	H	α-helix	trans	-63.3	-43.5	174.9	-68.1	178.8	-11.8	0	0	111.9	G444 A450	G444-Q446 PolarHBondContact O-N 2.73Å; G444-Q446 VanDerWaalsContact O-N 3.11Å; Q446-A450 PolarHBondContact O-N 2.91Å
447	G	94.9	Very high	95.2	Very high	24 Å²	24	68.2 Å²	68.2	25%	0.247	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-42.6	177.4	0	0	0	0	0	111.7	G444 A450 L451	G444-G447 PolarHBondContact O-N 2.97Å; G447-A450 PolarHBondContact O-N 3.1Å; G447-L451 PolarHBondContact O-N 2.82Å
448	V	97.7	Very high	95.4	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-68	-39.7	178.1	-179.4	0	0	0	0	111.9	Y74 V123 L128 A131 Y132 G444 S445 A450 L451 L452	Y74-V448 HydrophobicContact CE1-CG1 3.86Å; Y74-V448 WeakPolarHBondContact OH-CB 3.45Å; Y74-V448 WeakPolarHBondContact OH-CG1 3.35Å; V123-V448 HydrophobicContact CG2-CG1 4.14Å; L128-V448 HydrophobicContact CD2-CG1 4.4Å; L128-V448 HydrophobicContact CD2-CG2 3.91Å; A131-V448 HydrophobicContact CB-CG2 3.69Å; Y132-V448 HydrophobicContact CE2-CG2 3.8Å; G444-V448 PolarHBondContact O-N 3.28Å; S445-V448 PolarHBondContact O-N 2.45Å; V448-A450 VanDerWaalsContact C-N 3.28Å; V448-A450 PolarHBondContact O-N 3.15Å; V448-L451 WeakPolarHBondContact O-CB 3.4Å; V448-L451 PolarHBondContact O-N 3.26Å; V448-L452 HydrophobicContact CG1-CD1 3.87Å; V448-L452 HydrophobicContact CG1-CG 4.01Å; V448-L452 WeakPolarHBondContact O-CG 3.33Å; V448-L452 PolarHBondContact O-N 2.94Å
449	S	96.3	Very high	95.7	Very high	48 Å²	48	71 Å²	71	34%	0.336	40%	0.399	S	S	.	.	H	α-helix	trans	-60	-39.7	179.6	-62.3	0	0	0	0	111.7	S445 L451 L452 E453	S445-S449 WeakPolarHBondContact O-CB 3.32Å; S445-S449 PolarHBondContact O-N 3.08Å; S445-S449 PolarHBondContact O-OG 3.08Å; S449-L451 VanDerWaalsContact C-N 3.34Å; S449-L451 PolarHBondContact O-N 2.8Å; S449-L452 PolarHBondContact O-N 2.68Å; S449-E453 WeakPolarHBondContact O-CB 3.45Å; S449-E453 PolarHBondContact O-N 3.48Å
450	A	95.1	Very high	96.1	Very high	59 Å²	59	66.7 Å²	66.7	49%	0.488	37%	0.368	S	S	.	.	H	α-helix	trans	-63.4	-38.2	174.9	0	0	0	0	0	112.6	Q446 G447 V448 K454	Q446-A450 PolarHBondContact O-N 2.91Å; G447-A450 PolarHBondContact O-N 3.1Å; V448-A450 VanDerWaalsContact C-N 3.28Å; V448-A450 PolarHBondContact O-N 3.15Å; A450-K454 WeakPolarHBondContact O-CB 2.99Å; A450-K454 PolarHBondContact O-N 2.72Å; A450-K454 VanDerWaalsContact O-N 3.15Å
451	L	97	Very high	96.6	Very high	58 Å²	58	65.4 Å²	65.4	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-66	-45.8	174.5	-66.8	173.1	0	0	0	111.5	E127 G447 V448 S449 K454 R455	E127-L451 HydrophobicContact CB-CD1 4.28Å; E127-L451 HydrophobicContact CG-CD1 4.4Å; G447-L451 PolarHBondContact O-N 2.82Å; V448-L451 WeakPolarHBondContact O-CB 3.4Å; V448-L451 PolarHBondContact O-N 3.26Å; S449-L451 VanDerWaalsContact C-N 3.34Å; S449-L451 PolarHBondContact O-N 2.8Å; L451-K454 PolarHBondContact O-N 2.73Å; L451-R455 VanDerWaalsContact O-CG 3.3Å; L451-R455 WeakPolarHBondContact O-CG 3.19Å; L451-R455 PolarHBondContact O-N 3.27Å; L451-R455 VanDerWaalsContact O-N 3.09Å
452	L	97.8	Very high	96.8	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-42.4	-179.9	-66.7	178.5	0	0	0	111.5	Y74 V117 D122 V123 V448 S449 R455 G456 V457 P459	Y74-L452 HydrophobicContact CE1-CD1 4.47Å; V117-L452 HydrophobicContact CG1-CD1 4.03Å; V117-L452 HydrophobicContact CG1-CD2 3.97Å; V117-L452 HydrophobicContact CG2-CD1 3.82Å; D122-L452 HydrophobicContact CB-CD2 4.24Å; V123-L452 HydrophobicContact CB-CD2 4.22Å; V448-L452 HydrophobicContact CG1-CD1 3.87Å; V448-L452 HydrophobicContact CG1-CG 4.01Å; V448-L452 WeakPolarHBondContact O-CG 3.33Å; V448-L452 PolarHBondContact O-N 2.94Å; S449-L452 PolarHBondContact O-N 2.68Å; L452-R455 CarbonylContact O-C 3.47Å; L452-R455 WeakPolarHBondContact O-CA 3.23Å; L452-R455 PolarHBondContact O-N 3.41Å; L452-R455 VanDerWaalsContact O-N 3.08Å; L452-G456 PolarHBondContact O-N 2.89Å; L452-V457 CarbonylContact C-O 3.4Å; L452-V457 HydrophobicContact CB-CB 4.16Å; L452-V457 HydrophobicContact CD2-CB 4.06Å; L452-V457 HydrophobicContact CD2-CG1 4.04Å; L452-V457 PolarHBondContact O-N 2.96Å; L452-P459 HydrophobicContact CD1-CG 3.77Å
453	E	96.3	Very high	97	Very high	158 Å²	158	60.7 Å²	60.7	74%	0.738	34%	0.339	S	S	*	.	H	α-helix	trans	-60.5	-47.4	176	-176.7	174.3	-161.4	0	0	111.6	S449 R455 G456	S449-E453 WeakPolarHBondContact O-CB 3.45Å; S449-E453 PolarHBondContact O-N 3.48Å; E453-R455 PolarHBondContact O-N 3.17Å; E453-G456 PolarHBondContact O-N 3.2Å
454	K	96.8	Very high	97.1	Very high	189 Å²	189	59.8 Å²	59.8	82%	0.822	33%	0.331	S	S	*	.	H	α-helix	trans	-58.6	-29.6	174.9	-175.9	177.7	178	-178.4	0	112.5	A450 L451	A450-K454 WeakPolarHBondContact O-CB 2.99Å; A450-K454 PolarHBondContact O-N 2.72Å; A450-K454 VanDerWaalsContact O-N 3.15Å; L451-K454 PolarHBondContact O-N 2.73Å
455	R	97.9	Very high	97.2	Very high	111 Å²	111	60 Å²	60	42%	0.419	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	1.6	177.5	-68.8	173.3	178.5	164.5	4.8	113.6	D122 E127 L451 L452 E453 V457	D122-R455 WeakPolarHBondContact O-CD 3.33Å; D122-R455 PolarHBondContact O-NH1 3.03Å; E127-R455 IonicContact OE1-CZ 3.47Å; E127-R455 IonicContact OE1-NH1 3.47Å; E127-R455 PolarHBondContact OE1-NH1 2.88Å; E127-R455 IonicContact OE1-NH2 2.63Å; E127-R455 PolarHBondContact OE1-NH2 2.91Å; E127-R455 IonicContact OE2-CZ 3.55Å; E127-R455 IonicContact OE2-NH1 2.75Å; E127-R455 PolarHBondContact OE2-NH1 2.82Å; E127-R455 IonicContact OE2-NH2 3.45Å; E127-R455 PolarHBondContact OE2-NH2 2.9Å; L451-R455 VanDerWaalsContact O-CG 3.3Å; L451-R455 WeakPolarHBondContact O-CG 3.19Å; L451-R455 PolarHBondContact O-N 3.27Å; L451-R455 VanDerWaalsContact O-N 3.09Å; L452-R455 CarbonylContact O-C 3.47Å; L452-R455 WeakPolarHBondContact O-CA 3.23Å; L452-R455 PolarHBondContact O-N 3.41Å; L452-R455 VanDerWaalsContact O-N 3.08Å; E453-R455 PolarHBondContact O-N 3.17Å; R455-V457 HydrophobicContact CB-CG2 4.15Å; R455-V457 PolarHBondContact O-N 3.2Å
456	G	97.1	Very high	97.3	Very high	61 Å²	61	61.9 Å²	61.9	63%	0.629	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	15.5	-177.8	0	0	0	0	0	114.1	L452 E453	L452-G456 PolarHBondContact O-N 2.89Å; E453-G456 PolarHBondContact O-N 3.2Å
457	V	97.5	Very high	97.4	Very high	22 Å²	22	58.2 Å²	58.2	13%	0.133	32%	0.319	C	S	.	.			trans	-87.2	123.7	177.7	-179.7	0	0	0	0	108.1	V117 D122 L452 R455 P459	V117-V457 HydrophobicContact CG2-CG1 4.37Å; D122-V457 HydrophobicContact CB-CG1 4.33Å; D122-V457 HydrophobicContact CB-CG2 3.97Å; L452-V457 CarbonylContact C-O 3.4Å; L452-V457 HydrophobicContact CB-CB 4.16Å; L452-V457 HydrophobicContact CD2-CB 4.06Å; L452-V457 HydrophobicContact CD2-CG1 4.04Å; L452-V457 PolarHBondContact O-N 2.96Å; R455-V457 HydrophobicContact CB-CG2 4.15Å; R455-V457 PolarHBondContact O-N 3.2Å; V457-P459 WeakPolarHBondContact O-CD 3.45Å
458	K	95.7	Very high	97.6	Very high	131 Å²	131	57.1 Å²	57.1	57%	0.57	31%	0.308	S	S	*	.			trans	-107.5	105.2	179.1	-65.2	-174.6	-179.6	-174.9	0	109.2	N116	N116-K458 PolarHBondContact ND2-O 3.42Å
459	P	97.9	Very high	97.7	Very high	47 Å²	47	59.2 Å²	59.2	31%	0.305	32%	0.319	S	S	.	.			trans	-62	155.5	175.3	-22.5	34.4	0	0	0	112	H114 G115 V117 L452 V457	H114-P459 HydrophobicContact CB-CB 4.37Å; G115-P459 CarbonylContact O-C 3.52Å; G115-P459 VanDerWaalsContact O-CA 3.25Å; G115-P459 WeakPolarHBondContact O-CA 3.28Å; V117-P459 HydrophobicContact CG2-CB 4.01Å; V117-P459 HydrophobicContact CG2-CG 3.96Å; L452-P459 HydrophobicContact CD1-CG 3.77Å; V457-P459 WeakPolarHBondContact O-CD 3.45Å
460	V	98.5	Very high	97.8	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.024	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-105.7	118.3	170.6	175.6	0	0	0	0	107.7	P78 F113 G115 N116 D464 L493 A496	P78-V460 HydrophobicContact CB-CG2 4.09Å; P78-V460 WeakPolarHBondContact O-CG1 3.37Å; F113-V460 WeakPolarHBondContact CD1-O 3.33Å; G115-V460 PolarHBondContact N-O 2.86Å; G115-V460 PolarHBondContact O-N 2.72Å; N116-V460 HydrophobicContact CB-CG2 3.85Å; V460-D464 HydrophobicContact CG1-CB 3.72Å; V460-L493 HydrophobicContact CG2-CD2 3.57Å; V460-A496 HydrophobicContact CG1-CB 4.24Å; V460-A496 HydrophobicContact CG2-CB 4.46Å
461	S	98.6	Very high	97.9	Very high	38 Å²	38	59.6 Å²	59.6	27%	0.266	31%	0.314	S	S	.	.			trans	-73.7	169.2	176.5	70.8	0	0	0	0	111.5	F113 S463 D464 W465	F113-S461 WeakPolarHBondContact O-CA 3.03Å; S461-S463 VanDerWaalsContact C-N 3.31Å; S461-S463 PolarHBondContact O-N 3.15Å; S461-S463 PolarHBondContact OG-OG 3.21Å; S461-D464 WeakPolarHBondContact CB-OD2 3.47Å; S461-D464 PolarHBondContact N-OD2 3.25Å; S461-D464 PolarHBondContact O-N 3.35Å; S461-D464 PolarHBondContact OG-N 3.36Å; S461-D464 PolarHBondContact OG-OD2 2.91Å; S461-W465 PolarHBondContact O-N 3.29Å
462	F	98.4	Very high	98	Very high	16 Å²	16	56.8 Å²	56.8	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-38.4	175.7	-162.7	-102.5	0	0	0	112.1	P80 F81 T103 A106 Q107 F113 D464 W465 E466	P80-F462 HydrophobicContact CG-CE2 4.15Å; F81-F462 HydrophobicContact CE1-CE2 4.49Å; F81-F462 HydrophobicContact CZ-CE2 4.16Å; F81-F462 HydrophobicContact CZ-CZ 4.28Å; T103-F462 HydrophobicContact CG2-CE1 3.93Å; T103-F462 HydrophobicContact CG2-CZ 3.93Å; A106-F462 HydrophobicContact CB-CB 4.47Å; A106-F462 HydrophobicContact CB-CD1 3.83Å; A106-F462 HydrophobicContact CB-CD2 3.39Å; A106-F462 HydrophobicContact CB-CE1 3.84Å; A106-F462 HydrophobicContact CB-CE2 3.38Å; A106-F462 HydrophobicContact CB-CG 3.61Å; A106-F462 HydrophobicContact CB-CZ 3.62Å; Q107-F462 HydrophobicContact CG-CD1 4.24Å; Q107-F462 HydrophobicContact CG-CE1 4.07Å; F113-F462 HydrophobicContact CB-CB 3.89Å; F113-F462 HydrophobicContact CB-CD2 4.2Å; F113-F462 HydrophobicContact CD1-CD2 4.41Å; F113-F462 HydrophobicContact CG-CD2 4.3Å; F462-D464 VanDerWaalsContact C-N 3.29Å; F462-D464 PolarHBondContact O-N 3.26Å; F462-W465 AromaticContact CD2-CD1 3.92Å; F462-W465 AromaticContact CE2-CD1 3.61Å; F462-W465 AromaticContact CZ-CD1 3.88Å; F462-W465 WeakPolarHBondContact O-CB 3.19Å; F462-W465 PolarHBondContact O-N 3.42Å; F462-E466 HydrophobicContact CD1-CG 4.17Å; F462-E466 HydrophobicContact CE1-CG 4.04Å; F462-E466 WeakPolarHBondContact O-CG 3.45Å; F462-E466 PolarHBondContact O-N 2.83Å
463	S	98.3	Very high	98.1	Very high	67 Å²	67	58.8 Å²	58.8	47%	0.469	31%	0.311	S	S	.	.	H	α-helix	trans	-66.1	-30.8	175.3	46.1	0	0	0	0	112.9	S461 E466	S461-S463 VanDerWaalsContact C-N 3.31Å; S461-S463 PolarHBondContact O-N 3.15Å; S461-S463 PolarHBondContact OG-OG 3.21Å; S463-E466 PolarHBondContact O-N 3.22Å
464	D	98.6	Very high	98.2	Very high	40 Å²	40	56.8 Å²	56.8	21%	0.214	30%	0.297	C	S	.	.	H	α-helix	trans	-71.2	-38.1	173	-60.9	-38.6	0	0	0	111.1	V460 S461 F462 E466 K467 I468 A496	V460-D464 HydrophobicContact CG1-CB 3.72Å; S461-D464 WeakPolarHBondContact CB-OD2 3.47Å; S461-D464 PolarHBondContact N-OD2 3.25Å; S461-D464 PolarHBondContact O-N 3.35Å; S461-D464 PolarHBondContact OG-N 3.36Å; S461-D464 PolarHBondContact OG-OD2 2.91Å; F462-D464 VanDerWaalsContact C-N 3.29Å; F462-D464 PolarHBondContact O-N 3.26Å; D464-E466 VanDerWaalsContact C-N 3.32Å; D464-E466 PolarHBondContact O-N 3.11Å; D464-K467 WeakPolarHBondContact O-CB 3.42Å; D464-K467 PolarHBondContact O-N 2.88Å; D464-K467 IonicContact OD1-NZ 3.53Å; D464-I468 PolarHBondContact O-N 3.03Å; D464-A496 HydrophobicContact CB-CB 3.98Å
465	W	98.4	Very high	98.3	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.015	27%	0.269	C	S	.	.	H	α-helix	trans	-59.8	-40.4	170.2	153.9	-104.4	0	0	0	112	V79 P80 F81 S461 F462 K467 I468 D469	V79-W465 HydrophobicContact CB-CD2 4.46Å; V79-W465 HydrophobicContact CB-CE3 3.52Å; V79-W465 HydrophobicContact CB-CH2 4.13Å; V79-W465 HydrophobicContact CB-CZ3 3.34Å; V79-W465 HydrophobicContact CG1-CE3 3.43Å; V79-W465 VanDerWaalsContact CG1-CE3 3.43Å; V79-W465 HydrophobicContact CG1-CH2 4.35Å; V79-W465 HydrophobicContact CG1-CZ3 3.23Å; P80-W465 VanDerWaalsContact CD-CE2 3.48Å; P80-W465 VanDerWaalsContact CD-CG 3.48Å; P80-W465 HydrophobicContact CG-CD2 3.91Å; P80-W465 HydrophobicContact CG-CG 3.9Å; P80-W465 HydrophobicContact CG-CZ2 4.41Å; F81-W465 HydrophobicContact CD2-CZ2 4.33Å; F81-W465 AromaticContact CE2-CZ2 3.85Å; F81-W465 HydrophobicContact CE2-CZ2 3.85Å; F81-W465 AromaticContact CE2-NE1 3.83Å; S461-W465 PolarHBondContact O-N 3.29Å; F462-W465 AromaticContact CD2-CD1 3.92Å; F462-W465 AromaticContact CE2-CD1 3.61Å; F462-W465 AromaticContact CZ-CD1 3.88Å; F462-W465 WeakPolarHBondContact O-CB 3.19Å; F462-W465 PolarHBondContact O-N 3.42Å; W465-K467 PolarHBondContact O-N 2.76Å; W465-I468 HydrophobicContact CE3-CB 3.9Å; W465-I468 HydrophobicContact CE3-CD1 4.33Å; W465-I468 HydrophobicContact CE3-CG2 4.06Å; W465-I468 HydrophobicContact CZ3-CB 4.08Å; W465-I468 HydrophobicContact CZ3-CG2 3.76Å; W465-I468 CarbonylContact O-C 3.38Å; W465-I468 WeakPolarHBondContact O-CA 3.47Å; W465-I468 WeakPolarHBondContact O-CB 3.48Å; W465-I468 PolarHBondContact O-N 3.39Å; W465-D469 HydrophobicContact CH2-CB 4.19Å; W465-D469 HydrophobicContact CZ2-CB 3.87Å; W465-D469 PolarHBondContact O-N 3.02Å
466	E	98.6	Very high	98.3	Very high	68 Å²	68	45.5 Å²	45.5	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-27.6	177.9	-72.9	175.8	152.2	0	0	112.7	Q107 F462 S463 D464 S470	Q107-E466 PolarHBondContact NE2-OE1 2.79Å; F462-E466 HydrophobicContact CD1-CG 4.17Å; F462-E466 HydrophobicContact CE1-CG 4.04Å; F462-E466 WeakPolarHBondContact O-CG 3.45Å; F462-E466 PolarHBondContact O-N 2.83Å; S463-E466 PolarHBondContact O-N 3.22Å; D464-E466 VanDerWaalsContact C-N 3.32Å; D464-E466 PolarHBondContact O-N 3.11Å; E466-S470 WeakPolarHBondContact O-CB 3.4Å; E466-S470 PolarHBondContact O-N 2.74Å; E466-S470 PolarHBondContact O-OG 3.21Å
467	K	98.8	Very high	98.3	Very high	77 Å²	77	49.1 Å²	49.1	34%	0.335	25%	0.25	S	C	.	.	H	α-helix	trans	-69.4	-44	171.2	-56.2	173.9	-171.3	171.8	0	111.9	D464 W465 D469 S470 E471 V495 A496 A498	D464-K467 WeakPolarHBondContact O-CB 3.42Å; D464-K467 PolarHBondContact O-N 2.88Å; D464-K467 IonicContact OD1-NZ 3.53Å; W465-K467 PolarHBondContact O-N 2.76Å; K467-D469 VanDerWaalsContact C-N 3.34Å; K467-S470 PolarHBondContact O-N 3.31Å; K467-E471 PolarHBondContact O-N 3.01Å; K467-V495 HydrophobicContact CB-CG1 4.39Å; K467-A496 PolarHBondContact NZ-O 3.3Å; K467-A498 VanDerWaalsContact CD-OXT 3.29Å; K467-A498 WeakPolarHBondContact CD-OXT 3.02Å; K467-A498 WeakPolarHBondContact CE-OXT 3.43Å; K467-A498 PolarHBondContact NZ-OXT 3.03Å
468	I	98.8	Very high	98.4	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-49.7	173.3	-59.5	171.6	0	0	0	109	P78 V79 D464 W465 S470 E471 E472 M486 M492 V495 A496	P78-I468 HydrophobicContact CB-CD1 4.12Å; V79-I468 HydrophobicContact CG1-CD1 4.16Å; V79-I468 HydrophobicContact CG1-CG2 4.18Å; D464-I468 PolarHBondContact O-N 3.03Å; W465-I468 HydrophobicContact CE3-CB 3.9Å; W465-I468 HydrophobicContact CE3-CD1 4.33Å; W465-I468 HydrophobicContact CE3-CG2 4.06Å; W465-I468 HydrophobicContact CZ3-CB 4.08Å; W465-I468 HydrophobicContact CZ3-CG2 3.76Å; W465-I468 CarbonylContact O-C 3.38Å; W465-I468 WeakPolarHBondContact O-CA 3.47Å; W465-I468 WeakPolarHBondContact O-CB 3.48Å; W465-I468 PolarHBondContact O-N 3.39Å; I468-S470 VanDerWaalsContact C-N 3.33Å; I468-S470 PolarHBondContact O-N 3.32Å; I468-E471 PolarHBondContact O-N 3.19Å; I468-E472 HydrophobicContact CG2-CG 4.3Å; I468-E472 WeakPolarHBondContact O-CG 3.47Å; I468-E472 PolarHBondContact O-N 3.46Å; I468-M486 HydrophobicContact CB-CE 4.38Å; I468-M486 HydrophobicContact CG2-CE 3.73Å; I468-M486 HydrophobicContact CG2-SD 4.05Å; I468-M492 HydrophobicContact CD1-CB 3.96Å; I468-M492 WeakPolarHBondContact CD1-O 3.45Å; I468-M492 HydrophobicContact CG2-CG 4.49Å; I468-V495 HydrophobicContact CG1-CB 4.43Å; I468-V495 HydrophobicContact CG1-CG1 4.33Å; I468-A496 HydrophobicContact CD1-CB 4.05Å; I468-A496 HydrophobicContact CG1-CB 4.21Å
469	D	98.6	Very high	98.4	Very high	44 Å²	44	52.3 Å²	52.3	24%	0.235	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-46.9	179.4	-168.8	61.8	0	0	0	111.9	W465 K467 E471 E472 T473 R483	W465-D469 HydrophobicContact CH2-CB 4.19Å; W465-D469 HydrophobicContact CZ2-CB 3.87Å; W465-D469 PolarHBondContact O-N 3.02Å; K467-D469 VanDerWaalsContact C-N 3.34Å; D469-E471 PolarHBondContact O-N 2.83Å; D469-E472 PolarHBondContact O-N 3.38Å; D469-T473 PolarHBondContact O-N 3.47Å; D469-T473 PolarHBondContact O-OG1 2.91Å; D469-R483 IonicContact OD1-CZ 3.69Å; D469-R483 IonicContact OD1-NH1 3.4Å; D469-R483 PolarHBondContact OD1-NH1 3.27Å; D469-R483 IonicContact OD1-NH2 2.79Å; D469-R483 PolarHBondContact OD1-NH2 2.9Å; D469-R483 IonicContact OD2-NH2 3.94Å
470	S	98.7	Very high	98.4	Very high	77 Å²	77	52.8 Å²	52.8	54%	0.538	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-43.5	178	-61	0	0	0	0	112.3	E466 K467 I468 T473 R474	E466-S470 WeakPolarHBondContact O-CB 3.4Å; E466-S470 PolarHBondContact O-N 2.74Å; E466-S470 PolarHBondContact O-OG 3.21Å; K467-S470 PolarHBondContact O-N 3.31Å; I468-S470 VanDerWaalsContact C-N 3.33Å; I468-S470 PolarHBondContact O-N 3.32Å; S470-T473 PolarHBondContact O-N 3.14Å; S470-R474 WeakPolarHBondContact O-CB 3.31Å; S470-R474 PolarHBondContact O-N 2.93Å
471	E	98.8	Very high	98.4	Very high	38 Å²	38	53.2 Å²	53.2	18%	0.178	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-39.3	178.1	175.2	58.2	-162.5	0	0	112	K467 I468 D469 T473 R474 R475 M486 V495	K467-E471 PolarHBondContact O-N 3.01Å; I468-E471 PolarHBondContact O-N 3.19Å; D469-E471 PolarHBondContact O-N 2.83Å; E471-T473 VanDerWaalsContact C-N 3.35Å; E471-T473 PolarHBondContact O-N 3.13Å; E471-R474 PolarHBondContact O-N 3.32Å; E471-R474 IonicContact OE1-CZ 3.75Å; E471-R474 IonicContact OE1-NE 3.61Å; E471-R474 IonicContact OE1-NH2 2.73Å; E471-R474 PolarHBondContact OE1-NH2 2.87Å; E471-R474 IonicContact OE2-CZ 3.54Å; E471-R474 IonicContact OE2-NE 3.47Å; E471-R474 PolarHBondContact OE2-NE 3.47Å; E471-R474 IonicContact OE2-NH2 3.32Å; E471-R474 PolarHBondContact OE2-NH2 3.16Å; E471-R475 VanDerWaalsContact O-CG 3.29Å; E471-R475 WeakPolarHBondContact O-CG 3.38Å; E471-R475 PolarHBondContact O-N 2.99Å; E471-R475 IonicContact OE1-CZ 3.54Å; E471-R475 IonicContact OE1-NE 2.8Å; E471-R475 PolarHBondContact OE1-NE 2.97Å; E471-R475 IonicContact OE1-NH2 3.37Å; E471-R475 PolarHBondContact OE1-NH2 3.42Å; E471-M486 HydrophobicContact CB-CE 3.6Å; E471-M486 HydrophobicContact CG-CE 3.43Å; E471-M486 VanDerWaalsContact CG-CE 3.43Å; E471-V495 HydrophobicContact CB-CG1 4Å; E471-V495 HydrophobicContact CG-CG1 4.39Å; E471-V495 HydrophobicContact CG-CG2 4.43Å
472	E	98.7	Very high	98.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-42.4	173.7	-68.7	-169.4	156.7	0	0	112	R85 I468 D469 R475 G476 R483 E484 K485 M486	R85-E472 IonicContact CZ-OE1 3.74Å; R85-E472 IonicContact CZ-OE2 3.58Å; R85-E472 VanDerWaalsContact CZ-OE2 3.28Å; R85-E472 IonicContact NH1-OE1 3.14Å; R85-E472 IonicContact NH1-OE2 2.8Å; R85-E472 PolarHBondContact NH1-OE2 3.48Å; R85-E472 IonicContact NH2-OE1 2.68Å; R85-E472 PolarHBondContact NH2-OE1 2.9Å; R85-E472 IonicContact NH2-OE2 3.48Å; R85-E472 PolarHBondContact NH2-OE2 3.1Å; I468-E472 HydrophobicContact CG2-CG 4.3Å; I468-E472 WeakPolarHBondContact O-CG 3.47Å; I468-E472 PolarHBondContact O-N 3.46Å; D469-E472 PolarHBondContact O-N 3.38Å; E472-R475 PolarHBondContact O-N 3.31Å; E472-G476 PolarHBondContact O-N 3.48Å; E472-R483 HydrophobicContact CB-CB 4.14Å; E472-R483 CarbonylContact O-C 3.59Å; E472-R483 VanDerWaalsContact O-CA 3.3Å; E472-R483 WeakPolarHBondContact O-CA 3.42Å; E472-R483 IonicContact OE2-NH1 3.64Å; E472-R483 PolarHBondContact OE2-NH1 3.4Å; E472-R483 VanDerWaalsContact OE2-NH1 3.12Å; E472-E484 WeakPolarHBondContact CA-O 3.47Å; E472-E484 WeakPolarHBondContact CB-O 3.46Å; E472-E484 WeakPolarHBondContact CG-O 3.46Å; E472-E484 PolarHBondContact O-N 2.94Å; E472-K485 VanDerWaalsContact OE1-CA 3.32Å; E472-K485 WeakPolarHBondContact OE1-CA 3.47Å; E472-M486 HydrophobicContact CG-CE 3.89Å; E472-M486 HydrophobicContact CG-CG 4.26Å; E472-M486 PolarHBondContact OE1-N 3.37Å
473	T	98.7	Very high	98.4	Very high	42 Å²	42	56.3 Å²	56.3	26%	0.258	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-46.5	175.7	-71.9	0	0	0	0	111	D469 S470 E471 R475 G476 E477	D469-T473 PolarHBondContact O-N 3.47Å; D469-T473 PolarHBondContact O-OG1 2.91Å; S470-T473 PolarHBondContact O-N 3.14Å; E471-T473 VanDerWaalsContact C-N 3.35Å; E471-T473 PolarHBondContact O-N 3.13Å; T473-R475 VanDerWaalsContact C-N 3.32Å; T473-R475 PolarHBondContact O-N 3.21Å; T473-G476 CarbonylContact O-C 3.52Å; T473-G476 WeakPolarHBondContact O-CA 3.29Å; T473-G476 PolarHBondContact O-N 2.93Å; T473-E477 WeakPolarHBondContact O-CG 3.19Å; T473-E477 PolarHBondContact O-N 3.18Å
474	R	98.7	Very high	98.4	Very high	117 Å²	117	54 Å²	54	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-56.8	-43.5	175.8	-169.1	-165.5	69.2	76.9	2.4	112.2	S470 E471 G476 E477 I478	S470-R474 WeakPolarHBondContact O-CB 3.31Å; S470-R474 PolarHBondContact O-N 2.93Å; E471-R474 PolarHBondContact O-N 3.32Å; E471-R474 IonicContact OE1-CZ 3.75Å; E471-R474 IonicContact OE1-NE 3.61Å; E471-R474 IonicContact OE1-NH2 2.73Å; E471-R474 PolarHBondContact OE1-NH2 2.87Å; E471-R474 IonicContact OE2-CZ 3.54Å; E471-R474 IonicContact OE2-NE 3.47Å; E471-R474 PolarHBondContact OE2-NE 3.47Å; E471-R474 IonicContact OE2-NH2 3.32Å; E471-R474 PolarHBondContact OE2-NH2 3.16Å; R474-G476 VanDerWaalsContact C-N 3.32Å; R474-E477 PolarHBondContact O-N 3.44Å; R474-I478 WeakPolarHBondContact O-CG1 3.43Å; R474-I478 PolarHBondContact O-N 2.8Å
475	R	98.6	Very high	98.4	Very high	62 Å²	62	52.3 Å²	52.3	23%	0.234	27%	0.27	C	S	.	.	H	α-helix	trans	-65.3	-36.4	174.9	-68.4	174.3	-173.2	-157.8	1.8	112.3	E471 E472 T473 K479 E484 E491	E471-R475 VanDerWaalsContact O-CG 3.29Å; E471-R475 WeakPolarHBondContact O-CG 3.38Å; E471-R475 PolarHBondContact O-N 2.99Å; E471-R475 IonicContact OE1-CZ 3.54Å; E471-R475 IonicContact OE1-NE 2.8Å; E471-R475 PolarHBondContact OE1-NE 2.97Å; E471-R475 IonicContact OE1-NH2 3.37Å; E471-R475 PolarHBondContact OE1-NH2 3.42Å; E472-R475 PolarHBondContact O-N 3.31Å; T473-R475 VanDerWaalsContact C-N 3.32Å; T473-R475 PolarHBondContact O-N 3.21Å; R475-K479 PolarHBondContact O-N 3.3Å; R475-E484 HydrophobicContact CB-CB 3.71Å; R475-E491 IonicContact CZ-OE1 3.15Å; R475-E491 IonicContact NH1-OE1 2.77Å; R475-E491 PolarHBondContact NH1-OE1 3.24Å; R475-E491 IonicContact NH1-OE2 3.55Å; R475-E491 IonicContact NH2-OE1 2.68Å; R475-E491 PolarHBondContact NH2-OE1 3.5Å
476	G	98.4	Very high	98.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62	-47.3	174.4	0	0	0	0	0	112.4	E472 T473 R474 I478 K479 G480 K481	E472-G476 PolarHBondContact O-N 3.48Å; T473-G476 CarbonylContact O-C 3.52Å; T473-G476 WeakPolarHBondContact O-CA 3.29Å; T473-G476 PolarHBondContact O-N 2.93Å; R474-G476 VanDerWaalsContact C-N 3.32Å; G476-I478 VanDerWaalsContact C-N 3.29Å; G476-I478 PolarHBondContact O-N 3.47Å; G476-K479 CarbonylContact O-C 3.56Å; G476-K479 WeakPolarHBondContact O-CA 3.44Å; G476-K479 PolarHBondContact O-N 3.2Å; G476-G480 PolarHBondContact O-N 3.04Å; G476-K481 CarbonylContact C-O 3.52Å; G476-K481 WeakPolarHBondContact CA-O 3.32Å; G476-K481 PolarHBondContact O-N 3.42Å
477	E	98.3	Very high	98.4	Very high	138 Å²	138	50.9 Å²	50.9	65%	0.645	26%	0.264	S	S	*	.	H	α-helix	trans	-55.7	-44	179.1	-72.1	174	176.7	0	0	111.9	T473 R474 K479 G480	T473-E477 WeakPolarHBondContact O-CG 3.19Å; T473-E477 PolarHBondContact O-N 3.18Å; R474-E477 PolarHBondContact O-N 3.44Å; E477-K479 PolarHBondContact O-N 3.44Å; E477-G480 PolarHBondContact O-N 3.05Å; E477-G480 VanDerWaalsContact O-N 3.13Å
478	I	98.1	Very high	98.3	Very high	124 Å²	124	51.7 Å²	51.7	64%	0.636	27%	0.272	S	S	*	.	H	α-helix	trans	-59.2	-33.8	175.7	-65.3	167	0	0	0	111.6	R474 G476	R474-I478 WeakPolarHBondContact O-CG1 3.43Å; R474-I478 PolarHBondContact O-N 2.8Å; G476-I478 VanDerWaalsContact C-N 3.29Å; G476-I478 PolarHBondContact O-N 3.47Å
479	K	97	Very high	98.3	Very high	95 Å²	95	53.7 Å²	53.7	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-94.1	-1.4	-179.3	-70.2	174.8	168.6	-74.3	0	113.8	R475 G476 E477 K481 E484	R475-K479 PolarHBondContact O-N 3.3Å; G476-K479 CarbonylContact O-C 3.56Å; G476-K479 WeakPolarHBondContact O-CA 3.44Å; G476-K479 PolarHBondContact O-N 3.2Å; E477-K479 PolarHBondContact O-N 3.44Å; K479-K481 HydrophobicContact CB-CD 3.9Å; K479-K481 HydrophobicContact CB-CG 4.27Å; K479-E484 HydrophobicContact CD-CB 4.1Å; K479-E484 HydrophobicContact CD-CG 3.93Å; K479-E484 WeakPolarHBondContact CD-OE2 3.49Å
480	G	97.5	Very high	98.2	Very high	58 Å²	58	53.1 Å²	53.1	60%	0.598	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	30.8	-174.3	0	0	0	0	0	114.4	G476 E477	G476-G480 PolarHBondContact O-N 3.04Å; E477-G480 PolarHBondContact O-N 3.05Å; E477-G480 VanDerWaalsContact O-N 3.13Å
481	K	98.4	Very high	98.2	Very high	12 Å²	12	52 Å²	52	5%	0.052	28%	0.275	C	S	.	.	S	Bend	trans	-120.8	158.8	-176.9	-65.3	167.7	74.4	174.6	0	110.8	K209 T211 I213 G476 K479 R483 E484	K209-K481 VanDerWaalsContact O-CG 3.24Å; K209-K481 WeakPolarHBondContact O-CG 3.24Å; T211-K481 WeakPolarHBondContact O-CE 3.47Å; T211-K481 WeakPolarHBondContact O-CG 3.47Å; I213-K481 VanDerWaalsContact O-CE 3.24Å; I213-K481 WeakPolarHBondContact O-CE 3.35Å; I213-K481 PolarHBondContact O-NZ 3.28Å; G476-K481 CarbonylContact C-O 3.52Å; G476-K481 WeakPolarHBondContact CA-O 3.32Å; G476-K481 PolarHBondContact O-N 3.42Å; K479-K481 HydrophobicContact CB-CD 3.9Å; K479-K481 HydrophobicContact CB-CG 4.27Å; K481-R483 PolarHBondContact O-N 3.09Å; K481-E484 WeakPolarHBondContact CE-OE2 3.29Å; K481-E484 IonicContact NZ-OE1 3.4Å; K481-E484 IonicContact NZ-OE2 2.84Å; K481-E484 PolarHBondContact NZ-OE2 2.86Å
482	P	98	Very high	98.2	Very high	77 Å²	77	50.2 Å²	50.2	50%	0.5	27%	0.267	S	S	.	.	S	Bend	trans	-60.2	-31.2	172.9	-23.1	33.6	0	0	0	113.3	K210	K210-P482 WeakPolarHBondContact O-CD 3.33Å
483	R	98.4	Very high	98.2	Very high	43 Å²	43	51.4 Å²	51.4	16%	0.162	27%	0.273	C	S	.	.			trans	-166.5	159.1	175.2	59.3	179.4	63.5	-140.2	-0.7	110.5	D212 D469 E472 K481 K485	D212-R483 HydrophobicContact CB-CG 3.7Å; D469-R483 IonicContact OD1-CZ 3.69Å; D469-R483 IonicContact OD1-NH1 3.4Å; D469-R483 PolarHBondContact OD1-NH1 3.27Å; D469-R483 IonicContact OD1-NH2 2.79Å; D469-R483 PolarHBondContact OD1-NH2 2.9Å; D469-R483 IonicContact OD2-NH2 3.94Å; E472-R483 HydrophobicContact CB-CB 4.14Å; E472-R483 CarbonylContact O-C 3.59Å; E472-R483 VanDerWaalsContact O-CA 3.3Å; E472-R483 WeakPolarHBondContact O-CA 3.42Å; E472-R483 IonicContact OE2-NH1 3.64Å; E472-R483 PolarHBondContact OE2-NH1 3.4Å; E472-R483 VanDerWaalsContact OE2-NH1 3.12Å; K481-R483 PolarHBondContact O-N 3.09Å; R483-K485 HydrophobicContact CG-CG 4.49Å
484	E	98.6	Very high	98.1	Very high	18 Å²	18	56.2 Å²	56.2	8%	0.084	29%	0.292	C	S	.	.			trans	-116.8	115.7	162.4	-175.4	64.3	-138.9	0	0	108.4	Q215 E472 R475 K479 K481	Q215-E484 WeakPolarHBondContact CB-OE1 3.48Å; Q215-E484 PolarHBondContact N-OE1 3.03Å; E472-E484 WeakPolarHBondContact CA-O 3.47Å; E472-E484 WeakPolarHBondContact CB-O 3.46Å; E472-E484 WeakPolarHBondContact CG-O 3.46Å; E472-E484 PolarHBondContact O-N 2.94Å; R475-E484 HydrophobicContact CB-CB 3.71Å; K479-E484 HydrophobicContact CD-CB 4.1Å; K479-E484 HydrophobicContact CD-CG 3.93Å; K479-E484 WeakPolarHBondContact CD-OE2 3.49Å; K481-E484 WeakPolarHBondContact CE-OE2 3.29Å; K481-E484 IonicContact NZ-OE1 3.4Å; K481-E484 IonicContact NZ-OE2 2.84Å; K481-E484 PolarHBondContact NZ-OE2 2.86Å
485	K	98.4	Very high	98.1	Very high	5 Å²	5	52 Å²	52	2%	0.022	28%	0.279	C	S	.	.			trans	-73.2	136.5	-171.9	-63.9	173.3	-178	142.2	0	111	N168 D212 E472 R483	N168-K485 WeakPolarHBondContact O-CD 3.38Å; N168-K485 PolarHBondContact O-NZ 3.06Å; D212-K485 VanDerWaalsContact CG-NZ 3.29Å; D212-K485 PolarHBondContact O-NZ 3.22Å; D212-K485 IonicContact OD1-NZ 2.67Å; D212-K485 WeakPolarHBondContact OD2-CE 3.35Å; D212-K485 IonicContact OD2-NZ 3.1Å; D212-K485 PolarHBondContact OD2-NZ 2.95Å; E472-K485 VanDerWaalsContact OE1-CA 3.32Å; E472-K485 WeakPolarHBondContact OE1-CA 3.47Å; R483-K485 HydrophobicContact CG-CG 4.49Å
486	M	98.3	Very high	98.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.269	C	S	.	.			trans	-68.2	141	165.5	-66.8	176.8	-136.7	0	0	108.9	I468 E471 E472 E491 M492 V495	I468-M486 HydrophobicContact CB-CE 4.38Å; I468-M486 HydrophobicContact CG2-CE 3.73Å; I468-M486 HydrophobicContact CG2-SD 4.05Å; E471-M486 HydrophobicContact CB-CE 3.6Å; E471-M486 HydrophobicContact CG-CE 3.43Å; E471-M486 VanDerWaalsContact CG-CE 3.43Å; E472-M486 HydrophobicContact CG-CE 3.89Å; E472-M486 HydrophobicContact CG-CG 4.26Å; E472-M486 PolarHBondContact OE1-N 3.37Å; M486-E491 HydrophobicContact SD-CG 4.1Å; M486-M492 HydrophobicContact CB-CE 3.93Å; M486-M492 HydrophobicContact CB-CG 3.79Å; M486-M492 WeakPolarHBondContact O-CE 3.36Å; M486-M492 HydrophobicContact SD-CG 4.22Å; M486-V495 HydrophobicContact CE-CB 4.3Å; M486-V495 HydrophobicContact CE-CG1 4.15Å; M486-V495 HydrophobicContact CE-CG2 4.04Å; M486-V495 HydrophobicContact SD-CB 4.39Å; M486-V495 HydrophobicContact SD-CG2 3.98Å
487	L	97.8	Very high	97.8	Very high	40 Å²	40	55.7 Å²	55.7	21%	0.209	29%	0.294	C	S	.	.			trans	-111.1	-31.3	-176.8	-55.2	-179.5	0	0	0	111.7	P171 T214 H216	P171-L487 WeakPolarHBondContact CA-O 3.18Å; P171-L487 WeakPolarHBondContact CB-O 3.36Å; P171-L487 WeakPolarHBondContact CG-O 3.48Å; T214-L487 HydrophobicContact CG2-CD2 3.74Å; H216-L487 WeakPolarHBondContact CE1-CD1 3.28Å; H216-L487 WeakPolarHBondContact ND1-CD1 3.45Å
488	D	97.7	Very high	97.3	Very high	94 Å²	94	54.3 Å²	54.3	50%	0.503	31%	0.306	S	S	.	.			trans	-85.9	129.4	176.7	179	-119	0	0	0	111.2	G490 E491 M492	D488-G490 VanDerWaalsContact C-N 3.3Å; D488-G490 WeakPolarHBondContact OD1-CA 3.39Å; D488-G490 PolarHBondContact OD1-N 3.2Å; D488-G490 PolarHBondContact OD2-N 3.17Å; D488-E491 HydrophobicContact CB-CB 4.06Å; D488-E491 PolarHBondContact O-N 2.95Å; D488-E491 PolarHBondContact OD1-N 3.4Å; D488-M492 WeakPolarHBondContact O-CG 3.41Å; D488-M492 PolarHBondContact O-N 3.46Å; D488-M492 VanDerWaalsContact O-N 3.13Å
489	V	97.8	Very high	97.3	Very high	43 Å²	43	50.9 Å²	50.9	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-69.1	-32.5	177.3	172.4	0	0	0	0	110.7	P78 P171 M492 L493	P78-V489 HydrophobicContact CG-CG1 3.86Å; P171-V489 HydrophobicContact CB-CG2 3.76Å; P171-V489 HydrophobicContact CG-CG2 3.96Å; V489-M492 PolarHBondContact O-N 2.87Å; V489-L493 HydrophobicContact CG1-CD1 4.11Å; V489-L493 HydrophobicContact CG1-CG 4.32Å; V489-L493 VanDerWaalsContact O-CG 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.32Å; V489-L493 PolarHBondContact O-N 2.69Å
490	G	97.9	Very high	97.3	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-48.3	176	0	0	0	0	0	111.9	D488 L493 Q494	D488-G490 VanDerWaalsContact C-N 3.3Å; D488-G490 WeakPolarHBondContact OD1-CA 3.39Å; D488-G490 PolarHBondContact OD1-N 3.2Å; D488-G490 PolarHBondContact OD2-N 3.17Å; G490-L493 PolarHBondContact O-N 3.21Å; G490-Q494 WeakPolarHBondContact O-CG 3.46Å; G490-Q494 PolarHBondContact O-N 3.26Å
491	E	98.1	Very high	97.3	Very high	54 Å²	54	48 Å²	48	25%	0.252	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-48.7	174	-176	-176.4	-152.1	0	0	111.7	R475 M486 D488 L493 Q494 V495	R475-E491 IonicContact CZ-OE1 3.15Å; R475-E491 IonicContact NH1-OE1 2.77Å; R475-E491 PolarHBondContact NH1-OE1 3.24Å; R475-E491 IonicContact NH1-OE2 3.55Å; R475-E491 IonicContact NH2-OE1 2.68Å; R475-E491 PolarHBondContact NH2-OE1 3.5Å; M486-E491 HydrophobicContact SD-CG 4.1Å; D488-E491 HydrophobicContact CB-CB 4.06Å; D488-E491 PolarHBondContact O-N 2.95Å; D488-E491 PolarHBondContact OD1-N 3.4Å; E491-L493 PolarHBondContact O-N 3.41Å; E491-Q494 WeakPolarHBondContact O-CB 3.48Å; E491-Q494 PolarHBondContact O-N 3.19Å; E491-V495 PolarHBondContact O-N 3.22Å
492	M	98.5	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-54.1	-43.9	175.7	-70.5	175.3	-168.3	0	0	111.7	P78 V79 P171 I468 M486 D488 V489 V495 A496	P78-M492 HydrophobicContact CB-CB 4.15Å; P78-M492 HydrophobicContact CB-SD 4.32Å; P78-M492 HydrophobicContact CG-CB 4.16Å; P78-M492 HydrophobicContact CG-SD 4.16Å; V79-M492 HydrophobicContact CG1-SD 3.8Å; P171-M492 HydrophobicContact CG-CE 3.83Å; I468-M492 HydrophobicContact CD1-CB 3.96Å; I468-M492 WeakPolarHBondContact CD1-O 3.45Å; I468-M492 HydrophobicContact CG2-CG 4.49Å; M486-M492 HydrophobicContact CB-CE 3.93Å; M486-M492 HydrophobicContact CB-CG 3.79Å; M486-M492 WeakPolarHBondContact O-CE 3.36Å; M486-M492 HydrophobicContact SD-CG 4.22Å; D488-M492 WeakPolarHBondContact O-CG 3.41Å; D488-M492 PolarHBondContact O-N 3.46Å; D488-M492 VanDerWaalsContact O-N 3.13Å; V489-M492 PolarHBondContact O-N 2.87Å; M492-V495 PolarHBondContact O-N 3.38Å; M492-A496 VanDerWaalsContact O-CB 3.27Å; M492-A496 WeakPolarHBondContact O-CB 3.35Å; M492-A496 PolarHBondContact O-N 3.05Å
493	L	98.4	Very high	97.2	Very high	24 Å²	24	48.4 Å²	48.4	13%	0.126	26%	0.264	C	S	.	.	H	α-helix	trans	-70.3	-30	179.5	-68.2	176.3	0	0	0	112.9	P78 N116 V460 V489 G490 E491 R497	P78-L493 HydrophobicContact CB-CD2 4.34Å; P78-L493 HydrophobicContact CG-CD2 3.96Å; P78-L493 HydrophobicContact CG-CG 4.27Å; N116-L493 HydrophobicContact CB-CD2 4.19Å; V460-L493 HydrophobicContact CG2-CD2 3.57Å; V489-L493 HydrophobicContact CG1-CD1 4.11Å; V489-L493 HydrophobicContact CG1-CG 4.32Å; V489-L493 VanDerWaalsContact O-CG 3.24Å; V489-L493 WeakPolarHBondContact O-CG 3.32Å; V489-L493 PolarHBondContact O-N 2.69Å; G490-L493 PolarHBondContact O-N 3.21Å; E491-L493 PolarHBondContact O-N 3.41Å; L493-R497 WeakPolarHBondContact O-CB 3.46Å; L493-R497 WeakPolarHBondContact O-CD 3.37Å; L493-R497 WeakPolarHBondContact O-CG 2.98Å; L493-R497 PolarHBondContact O-N 3.32Å
494	Q	98.2	Very high	97.1	Very high	143 Å²	143	48.8 Å²	48.8	67%	0.668	27%	0.271	S	S	*	.	H	α-helix	trans	-67.3	-47.6	172.4	-71.1	172.5	7.1	0	0	110.5	G490 E491 R497 A498	G490-Q494 WeakPolarHBondContact O-CG 3.46Å; G490-Q494 PolarHBondContact O-N 3.26Å; E491-Q494 WeakPolarHBondContact O-CB 3.48Å; E491-Q494 PolarHBondContact O-N 3.19Å; Q494-R497 PolarHBondContact O-N 3.02Å; Q494-A498 PolarHBondContact O-N 3.45Å
495	V	98.2	Very high	97	Very high	28 Å²	28	51 Å²	51	17%	0.17	28%	0.284	C	S	.	.	H	α-helix	trans	-65.4	-42.2	179.2	176.4	0	0	0	0	112	K467 I468 E471 M486 E491 M492 R497 A498	K467-V495 HydrophobicContact CB-CG1 4.39Å; I468-V495 HydrophobicContact CG1-CB 4.43Å; I468-V495 HydrophobicContact CG1-CG1 4.33Å; E471-V495 HydrophobicContact CB-CG1 4Å; E471-V495 HydrophobicContact CG-CG1 4.39Å; E471-V495 HydrophobicContact CG-CG2 4.43Å; M486-V495 HydrophobicContact CE-CB 4.3Å; M486-V495 HydrophobicContact CE-CG1 4.15Å; M486-V495 HydrophobicContact CE-CG2 4.04Å; M486-V495 HydrophobicContact SD-CB 4.39Å; M486-V495 HydrophobicContact SD-CG2 3.98Å; E491-V495 PolarHBondContact O-N 3.22Å; M492-V495 PolarHBondContact O-N 3.38Å; V495-R497 PolarHBondContact O-N 3.48Å; V495-A498 PolarHBondContact O-N 2.93Å
496	A	97.4	Very high	96.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	31%	0.305	C	S	.	.	H	α-helix	trans	-56.1	-32.2	175.4	0	0	0	0	0	113.1	V460 D464 K467 I468 M492	V460-A496 HydrophobicContact CG1-CB 4.24Å; V460-A496 HydrophobicContact CG2-CB 4.46Å; D464-A496 HydrophobicContact CB-CB 3.98Å; K467-A496 PolarHBondContact NZ-O 3.3Å; I468-A496 HydrophobicContact CD1-CB 4.05Å; I468-A496 HydrophobicContact CG1-CB 4.21Å; M492-A496 VanDerWaalsContact O-CB 3.27Å; M492-A496 WeakPolarHBondContact O-CB 3.35Å; M492-A496 PolarHBondContact O-N 3.05Å
497	R	93.6	Very high	96.8	Very high	140 Å²	140	59 Å²	59	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-98.1	-11.4	-174.2	-66.8	172.2	-172.3	165.3	5.4	114.2	L493 Q494 V495	L493-R497 WeakPolarHBondContact O-CB 3.46Å; L493-R497 WeakPolarHBondContact O-CD 3.37Å; L493-R497 WeakPolarHBondContact O-CG 2.98Å; L493-R497 PolarHBondContact O-N 3.32Å; Q494-R497 PolarHBondContact O-N 3.02Å; V495-R497 PolarHBondContact O-N 3.48Å
498	A	87.6	Confident	96.7	Very high	109 Å²	109	60.7 Å²	60.7	90%	0.901	34%	0.341	S	S	*	.			trans	-64.7	0	168.8	0	0	0	0	0	109.9	K467 Q494 V495	K467-A498 VanDerWaalsContact CD-OXT 3.29Å; K467-A498 WeakPolarHBondContact CD-OXT 3.02Å; K467-A498 WeakPolarHBondContact CE-OXT 3.43Å; K467-A498 PolarHBondContact NZ-OXT 3.03Å; Q494-A498 PolarHBondContact O-N 3.45Å; V495-A498 PolarHBondContact O-N 2.93Å

Retrieved 498 of 498 residues in 541.2 ms (Link to these results)

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