A0A096NN95_PAPAN Loading...

Isocitrate dehydrogenase [NADP]

AlphaFold DB (Q4R502), UniProt , Accession A0A096NN95, Species PAPAN (Papio anubis, Olive baboon), Gene IDH2, Length 452 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	41.7	Very low	41.4	Very low	249 Å²	249	161.9 Å²	161.9	100%	1.227	85%	0.846	S	S	*	*				0	126.8	0	-68.3	-151.9	-88.3	0	0	107.7
2	A	39.7	Very low	41.5	Very low	97 Å²	97	159.4 Å²	159.4	80%	0.802	85%	0.85	S	S	*	*			cis	-159.1	137.6	-8.6	0	0	0	0	0	106
3	G	33.2	Very low	41.4	Very low	72 Å²	72	165.8 Å²	165.8	74%	0.742	86%	0.855	S	S	*	*			trans	-110.2	140.4	165.6	0	0	0	0	0	108.8
4	Y	50.9	Low	41.7	Very low	233 Å²	233	161.7 Å²	161.7	91%	0.914	86%	0.858	S	S	*	*			trans	-140.4	124.2	168.7	-104.2	-85.3	0	0	0	111.4
5	L	37.3	Very low	41.8	Very low	153 Å²	153	159.4 Å²	159.4	80%	0.801	86%	0.86	S	S	*	*			trans	-76.9	165.7	165	-89.9	137.4	0	0	0	110.8
6	R	41	Very low	42.2	Very low	225 Å²	225	154.3 Å²	154.3	85%	0.849	86%	0.856	S	S	*	*				108.4	128.3	126	-117.3	-177.1	-156.8	-168.6	5.4	118.5
7	V	44.3	Very low	42.7	Very low	127 Å²	127	152.6 Å²	152.6	77%	0.77	86%	0.858	S	S	*	*				133.5	132.9	124.8	-177.4	0	0	0	0	115.2
8	V	40.3	Very low	42.6	Very low	135 Å²	135	157.3 Å²	157.3	82%	0.818	86%	0.86	S	S	*	*			trans	-102	152.6	178	173.2	0	0	0	0	110.9
9	R	41	Very low	43.1	Very low	241 Å²	241	155.4 Å²	155.4	91%	0.909	86%	0.856	S	S	*	*			trans	-155	148.2	157.4	-94.7	-179.5	175.7	-177.5	-2	106.4
10	S	45.4	Very low	43.3	Very low	96 Å²	96	152.8 Å²	152.8	67%	0.671	86%	0.855	S	S	*	*			cis	-173.7	133.2	35.4	-164.8	0	0	0	0	111.9
11	L	41.1	Very low	43.3	Very low	153 Å²	153	157.4 Å²	157.4	80%	0.801	86%	0.86	S	S	*	*			trans	31.1	133.2	130.4	-66	154.3	0	0	0	123
12	C	42.3	Very low	43.7	Very low	132 Å²	132	149.7 Å²	149.7	89%	0.892	84%	0.835	S	S	*	*				-178.4	160.6	107.9	-105.4	0	0	0	0	114.7
13	R	39.8	Very low	44.1	Very low	242 Å²	242	150.8 Å²	150.8	91%	0.913	84%	0.835	S	S	*	*			trans	-91	158.1	-157.8	-65.7	167.2	169.6	-177.3	-3.1	115.5
14	A	45.9	Very low	44.6	Very low	109 Å²	109	152.1 Å²	152.1	90%	0.901	84%	0.838	S	S	*	*			trans	-160.5	139.7	137	0	0	0	0	0	111.5
15	S	42.6	Very low	44.3	Very low	127 Å²	127	145.9 Å²	145.9	89%	0.888	84%	0.835	S	S	*	*			trans	-96.5	148.4	-173	46.3	0	0	0	0	113.2
16	G	49.2	Very low	44.7	Very low	78 Å²	78	146.7 Å²	146.7	80%	0.804	84%	0.839	S	S	*	*			trans	-157.5	121.9	166	0	0	0	0	0	111.4
17	S	49.5	Very low	45.2	Very low	126 Å²	126	142.3 Å²	142.3	88%	0.881	84%	0.837	S	S	*	*			trans	-81	140.2	-176.5	40.1	0	0	0	0	113.5
18	R	41.5	Very low	45.4	Very low	237 Å²	237	140.3 Å²	140.3	89%	0.894	84%	0.835	S	S	*	*			trans	-83.7	-170.1	170.3	-68.2	-179	161.8	-170.2	-3.7	111
19	P	51.9	Low	46	Very low	121 Å²	121	139.7 Å²	139.7	79%	0.786	83%	0.833	S	S	*	*			cis	-141.3	169.1	-2.6	27.3	-2.7	0	0	0	117.2
20	A	48.4	Very low	46.1	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	83%	0.829	S	S	*	*			trans	-152.5	129.3	142.6	0	0	0	0	0	110.3
21	W	43	Very low	46.1	Very low	251 Å²	251	135 Å²	135	95%	0.951	83%	0.832	S	S	*	*			trans	-71.2	131	-179.8	-89.4	-15	0	0	0	112.3
22	A	49.5	Very low	46.2	Very low	86 Å²	86	136.4 Å²	136.4	71%	0.711	83%	0.834	S	S	*	*				79.7	152	89.1	0	0	0	0	0	113.7
23	P	47.7	Very low	46.1	Very low	121 Å²	121	138.3 Å²	138.3	79%	0.786	83%	0.83	S	S	*	*			cis	-130.2	135.4	14.5	30.7	-8.5	0	0	0	114.9
24	A	44.2	Very low	46.1	Very low	99 Å²	99	135.4 Å²	135.4	82%	0.818	83%	0.827	S	S	*	*				79	88.9	98	0	0	0	0	0	115.9
25	A	44.6	Very low	45.8	Very low	102 Å²	102	136.3 Å²	136.3	84%	0.843	82%	0.821	S	S	*	*			trans	-152.1	79.3	147	0	0	0	0	0	107.3
26	L	46.3	Very low	45.6	Very low	171 Å²	171	141 Å²	141	90%	0.895	82%	0.82	S	S	*	*			trans	-100.9	110.1	175.7	-83.2	163.3	0	0	0	108.9	A28	L26-A28 PolarHBondContact O-N 3.45Å
27	T	51.2	Low	45	Very low	132 Å²	132	146.5 Å²	146.5	81%	0.81	82%	0.816	S	S	*	*			trans	-45.7	126.2	164.5	43.1	0	0	0	0	110.9
28	A	48.3	Very low	44.6	Very low	86 Å²	86	149 Å²	149	71%	0.711	81%	0.814	S	S	*	*			trans	-56.2	139.2	174.5	0	0	0	0	0	110.9	L26 T30	L26-A28 PolarHBondContact O-N 3.45Å; A28-T30 PolarHBondContact O-N 3.2Å
29	P	52.2	Low	45.1	Very low	122 Å²	122	147.1 Å²	147.1	79%	0.792	81%	0.808	S	S	*	*			trans	-69.1	115.9	164.9	29.4	-28.3	0	0	0	106.8	S31	P29-S31 VanDerWaalsContact C-N 3.3Å; P29-S31 PolarHBondContact O-N 2.85Å
30	T	44.5	Very low	45.9	Very low	134 Å²	134	145 Å²	145	82%	0.822	80%	0.8	S	S	*	*			trans	-58.9	97.4	165.5	40.8	0	0	0	0	108	A28 Q32	A28-T30 PolarHBondContact O-N 3.2Å; T30-Q32 PolarHBondContact O-N 2.83Å
31	S	44	Very low	47.7	Very low	103 Å²	103	143.8 Å²	143.8	72%	0.72	78%	0.78	S	S	*	*			trans	-61.8	105.2	156.2	55.8	0	0	0	0	105.9	P29 E33	P29-S31 VanDerWaalsContact C-N 3.3Å; P29-S31 PolarHBondContact O-N 2.85Å; S31-E33 PolarHBondContact O-N 3.06Å
32	Q	43	Very low	50.1	Low	183 Å²	183	141.7 Å²	141.7	86%	0.855	78%	0.777	S	S	*	*			trans	-61.8	93.8	159.1	-77	-178	-18.4	0	0	106	T30 Q34	T30-Q32 PolarHBondContact O-N 2.83Å; Q32-Q34 VanDerWaalsContact C-N 3.27Å; Q32-Q34 PolarHBondContact O-N 2.83Å
33	E	41.8	Very low	52.4	Low	172 Å²	172	141.4 Å²	141.4	80%	0.804	76%	0.758	S	S	*	*			trans	-52.5	105.1	153.3	-86.1	-177.7	147.1	0	0	105.3	S31 T35	S31-E33 PolarHBondContact O-N 3.06Å; E33-T35 PolarHBondContact O-N 2.91Å
34	Q	39	Very low	54.8	Low	182 Å²	182	137.3 Å²	137.3	85%	0.85	73%	0.729	S	S	*	*			trans	-53.9	104.5	159.4	-78.9	179.4	-21.4	0	0	105.1	Q32 R36	Q32-Q34 VanDerWaalsContact C-N 3.27Å; Q32-Q34 PolarHBondContact O-N 2.83Å; Q34-R36 PolarHBondContact O-N 2.72Å
35	T	38.9	Very low	57.4	Low	127 Å²	127	137.6 Å²	137.6	78%	0.779	71%	0.712	S	S	*	*			trans	-50.8	97.3	162.1	37.9	0	0	0	0	106.2	E33 R37	E33-T35 PolarHBondContact O-N 2.91Å; T35-R37 PolarHBondContact O-N 2.84Å
36	R	39	Very low	59.9	Low	227 Å²	227	133.3 Å²	133.3	86%	0.857	68%	0.675	S	S	*	*			trans	-55.3	102	157.9	-90.5	-177.6	169.9	178.5	-2.3	103.6	Q34 H38	Q34-R36 PolarHBondContact O-N 2.72Å; R36-H38 PolarHBondContact O-N 2.82Å
37	R	36.4	Very low	62.4	Low	193 Å²	193	129.1 Å²	129.1	73%	0.728	67%	0.665	S	S	*	*			trans	-55.1	101.5	163.9	-76.2	-178.9	175.8	172.7	-1.8	104.7	T35 Y39	T35-R37 PolarHBondContact O-N 2.84Å; R37-Y39 HydrophobicContact CB-CD2 4.27Å; R37-Y39 HydrophobicContact CB-CE2 4.08Å; R37-Y39 WeakPolarHBondContact O-CD2 3.46Å; R37-Y39 PolarHBondContact O-N 2.79Å
38	H	41.2	Very low	64.6	Low	179 Å²	179	128.2 Å²	128.2	83%	0.829	65%	0.65	S	S	*	*			trans	-59.3	95.6	159.3	-91.1	-82.3	0	0	0	104.3	R36 A40	R36-H38 PolarHBondContact O-N 2.82Å; H38-A40 PolarHBondContact O-N 2.96Å
39	Y	51.5	Low	67	Low	196 Å²	196	124.8 Å²	124.8	77%	0.769	62%	0.62	S	S	*	*			trans	-63.7	87.9	159.4	-75.1	-87.9	0	0	0	104.4	R37 D41	R37-Y39 HydrophobicContact CB-CD2 4.27Å; R37-Y39 HydrophobicContact CB-CE2 4.08Å; R37-Y39 WeakPolarHBondContact O-CD2 3.46Å; R37-Y39 PolarHBondContact O-N 2.79Å; Y39-D41 PolarHBondContact O-N 2.65Å; Y39-D41 VanDerWaalsContact O-N 3.13Å
40	A	69.2	Low	69.3	Low	77 Å²	77	119 Å²	119	64%	0.636	58%	0.582	S	S	*	*			trans	-52.9	123.6	175	0	0	0	0	0	106.6	H38 K42	H38-A40 PolarHBondContact O-N 2.96Å; A40-K42 WeakPolarHBondContact O-CG 3.5Å; A40-K42 PolarHBondContact O-N 2.79Å
41	D	87.2	Confident	71.8	Confident	77 Å²	77	112.6 Å²	112.6	41%	0.412	54%	0.543	S	S	.	.			trans	-57.2	107.8	179.2	178.9	6.8	0	0	0	108.7	Y39 R43 K45	Y39-D41 PolarHBondContact O-N 2.65Å; Y39-D41 VanDerWaalsContact O-N 3.13Å; D41-R43 PolarHBondContact O-N 3.47Å; D41-R43 VanDerWaalsContact OD1-CB 3.27Å; D41-R43 WeakPolarHBondContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CG 3.5Å; D41-R43 IonicContact OD1-CZ 3.76Å; D41-R43 PolarHBondContact OD1-N 3.46Å; D41-R43 VanDerWaalsContact OD1-N 3.15Å; D41-R43 IonicContact OD1-NE 3.07Å; D41-R43 PolarHBondContact OD1-NE 3.38Å; D41-R43 IonicContact OD1-NH2 2.69Å; D41-R43 IonicContact OD2-CZ 3.83Å; D41-R43 IonicContact OD2-NE 3.79Å; D41-R43 PolarHBondContact OD2-NE 3.42Å; D41-R43 IonicContact OD2-NH2 3.54Å; D41-R43 PolarHBondContact OD2-NH2 3.38Å; D41-K45 IonicContact OD2-NZ 2.65Å; D41-K45 PolarHBondContact OD2-NZ 3.32Å
42	K	93	Very high	74.5	Confident	206 Å²	206	107.7 Å²	107.7	90%	0.896	51%	0.509	S	S	*	.			trans	-76	-1.1	-175.8	-63.7	-170.6	177.3	-170.7	0	113	A40	A40-K42 WeakPolarHBondContact O-CG 3.5Å; A40-K42 PolarHBondContact O-N 2.79Å
43	R	97.3	Very high	77.1	Confident	81 Å²	81	99 Å²	99	31%	0.306	47%	0.468	S	S	.	.	S	Bend	trans	-69.8	136.3	-177.8	-66.2	178.8	-62.6	145.9	6.5	111.3	D41 K45 L72 P73 H74 D76	D41-R43 PolarHBondContact O-N 3.47Å; D41-R43 VanDerWaalsContact OD1-CB 3.27Å; D41-R43 WeakPolarHBondContact OD1-CB 3.3Å; D41-R43 WeakPolarHBondContact OD1-CG 3.5Å; D41-R43 IonicContact OD1-CZ 3.76Å; D41-R43 PolarHBondContact OD1-N 3.46Å; D41-R43 VanDerWaalsContact OD1-N 3.15Å; D41-R43 IonicContact OD1-NE 3.07Å; D41-R43 PolarHBondContact OD1-NE 3.38Å; D41-R43 IonicContact OD1-NH2 2.69Å; D41-R43 IonicContact OD2-CZ 3.83Å; D41-R43 IonicContact OD2-NE 3.79Å; D41-R43 PolarHBondContact OD2-NE 3.42Å; D41-R43 IonicContact OD2-NH2 3.54Å; D41-R43 PolarHBondContact OD2-NH2 3.38Å; R43-K45 PolarHBondContact O-N 2.89Å; R43-L72 WeakPolarHBondContact CD-O 3.29Å; R43-P73 WeakPolarHBondContact CG-O 3.48Å; R43-H74 CarbonylContact C-O 3.51Å; R43-H74 VanDerWaalsContact CA-O 3.3Å; R43-H74 WeakPolarHBondContact CA-O 2.76Å; R43-D76 HydrophobicContact CB-CB 3.88Å; R43-D76 IonicContact CZ-OD1 3.87Å; R43-D76 IonicContact NH1-OD1 2.72Å; R43-D76 PolarHBondContact NH1-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.83Å; R43-D76 IonicContact NH2-OD2 3.67Å
44	I	97.8	Very high	79.8	Confident	34 Å²	34	91.5 Å²	91.5	17%	0.174	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.9	174.9	-61.2	164.5	0	0	0	108.7	H74 D76 D390 L391 F394	I44-H74 PolarHBondContact N-O 2.92Å; I44-D76 PolarHBondContact O-N 2.97Å; I44-D390 HydrophobicContact CD1-CB 4.31Å; I44-D390 HydrophobicContact CG1-CB 4.23Å; I44-D390 HydrophobicContact CG2-CB 3.92Å; I44-L391 HydrophobicContact CG2-CB 4.27Å; I44-F394 HydrophobicContact CD1-CB 3.5Å; I44-F394 VanDerWaalsContact CD1-CB 3.5Å; I44-F394 HydrophobicContact CD1-CD2 4.33Å; I44-F394 HydrophobicContact CD1-CG 4Å
45	K	98.3	Very high	82.7	Confident	106 Å²	106	82.9 Å²	82.9	46%	0.461	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.1	178.4	-56.9	-49.9	-174.5	-173	0	110.3	D41 R43 D76 N388	D41-K45 IonicContact OD2-NZ 2.65Å; D41-K45 PolarHBondContact OD2-NZ 3.32Å; R43-K45 PolarHBondContact O-N 2.89Å; K45-D76 HydrophobicContact CD-CB 3.83Å; K45-D76 WeakPolarHBondContact CD-OD2 3.44Å; K45-D76 IonicContact NZ-OD2 3.57Å; K45-D76 PolarHBondContact NZ-OD2 3.25Å; K45-N388 PolarHBondContact O-ND2 3Å
46	V	98.5	Very high	85.5	Confident	12 Å²	12	77.2 Å²	77.2	7%	0.073	36%	0.359	C	S	.	.			trans	-112.6	123.3	177.8	-171.1	0	0	0	0	110	K48 V75 D76 I77 R382 L391	V46-K48 WeakPolarHBondContact CG1-O 3.21Å; V46-V75 HydrophobicContact CG2-CG1 3.48Å; V46-V75 VanDerWaalsContact CG2-CG1 3.48Å; V46-D76 PolarHBondContact N-O 2.87Å; V46-I77 HydrophobicContact CB-CB 3.98Å; V46-I77 HydrophobicContact CB-CD1 4.18Å; V46-I77 HydrophobicContact CB-CG1 3.89Å; V46-I77 HydrophobicContact CG1-CD1 3.87Å; V46-I77 HydrophobicContact CG1-CG1 3.96Å; V46-I77 HydrophobicContact CG2-CB 3.98Å; V46-I77 HydrophobicContact CG2-CD1 4.23Å; V46-I77 HydrophobicContact CG2-CG1 4.24Å; V46-R382 HydrophobicContact CG1-CG 3.77Å; V46-L391 HydrophobicContact CG1-CD2 3.94Å; V46-L391 HydrophobicContact CG2-CD1 4.04Å; V46-L391 HydrophobicContact CG2-CD2 3.85Å; V46-L391 HydrophobicContact CG2-CG 4.47Å
47	A	97.8	Very high	88.3	Confident	82 Å²	82	66.9 Å²	66.9	68%	0.678	32%	0.32	S	S	*	.	S	Bend	trans	-74.3	-37.7	-170.8	0	0	0	0	0	113.3
48	K	98.5	Very high	91.3	Very high	113 Å²	113	57.8 Å²	57.8	49%	0.491	29%	0.286	S	S	.	.	S	Bend	trans	-113.9	152.4	-177.2	-68.9	-174.4	-167.9	-71.8	0	111.3	V46 D386	V46-K48 WeakPolarHBondContact CG1-O 3.21Å; K48-D386 WeakPolarHBondContact CD-OD1 3.44Å
49	P	98.7	Very high	94	Very high	14 Å²	14	49.3 Å²	49.3	9%	0.091	25%	0.246	C	C	.	.			trans	-74.2	165.3	-176.7	30.4	-36.3	0	0	0	113.1	Q78 K80 Y107	P49-Q78 WeakPolarHBondContact CA-O 3.27Å; P49-Q78 HydrophobicContact CB-CB 4.03Å; P49-Q78 WeakPolarHBondContact CB-O 3.46Å; P49-K80 HydrophobicContact CB-CG 3.9Å; P49-K80 HydrophobicContact CG-CG 4.34Å; P49-Y107 HydrophobicContact CG-CD1 3.26Å; P49-Y107 HydrophobicContact CG-CD2 4.43Å; P49-Y107 HydrophobicContact CG-CE1 3.64Å; P49-Y107 HydrophobicContact CG-CG 3.71Å
50	V	98.8	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.6	164	168	0	0	0	0	107.9	I77 Q78 L79 K80 V109 V111 R382	V50-I77 HydrophobicContact CB-CD1 3.98Å; V50-I77 HydrophobicContact CG2-CD1 3.54Å; V50-Q78 PolarHBondContact N-O 2.96Å; V50-Q78 VanDerWaalsContact N-O 3.08Å; V50-L79 HydrophobicContact CB-CD2 4.26Å; V50-L79 WeakPolarHBondContact O-CA 3.39Å; V50-K80 PolarHBondContact O-N 3.04Å; V50-V109 HydrophobicContact CG1-CG1 4.19Å; V50-V109 HydrophobicContact CG2-CB 4.19Å; V50-V109 HydrophobicContact CG2-CG1 4.07Å; V50-V111 HydrophobicContact CG1-CG1 4.13Å; V50-V111 HydrophobicContact CG1-CG2 3.97Å; V50-R382 HydrophobicContact CG2-CB 3.95Å; V50-R382 HydrophobicContact CG2-CG 3.91Å
51	V	98.9	Very high	97.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.9	171.9	177.3	0	0	0	0	108.4	M53 K80 F82 A103 Y107 V109 A110 V111	V51-M53 HydrophobicContact CG1-CE 4.05Å; V51-M53 HydrophobicContact CG1-CG 4.25Å; V51-K80 WeakPolarHBondContact CA-O 3.3Å; V51-K80 HydrophobicContact CG2-CB 4.28Å; V51-F82 HydrophobicContact CG1-CD2 3.74Å; V51-F82 HydrophobicContact CG1-CE2 3.91Å; V51-A103 HydrophobicContact CG2-CB 3.9Å; V51-Y107 HydrophobicContact CG2-CD2 3.94Å; V51-V109 WeakPolarHBondContact CB-O 3.47Å; V51-V109 PolarHBondContact N-O 3.49Å; V51-A110 HydrophobicContact CB-CB 4.01Å; V51-A110 HydrophobicContact CG1-CB 4.27Å; V51-A110 CarbonylContact O-C 3.6Å; V51-A110 VanDerWaalsContact O-CA 3.28Å; V51-A110 WeakPolarHBondContact O-CA 3.38Å; V51-V111 PolarHBondContact O-N 3.37Å
52	E	98.9	Very high	98.2	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.7	175.2	-177.5	-166	169.7	0	0	108.3	W63 K67 L79 K80 Y81 F82 V111 W375	E52-W63 HydrophobicContact CG-CZ2 4.45Å; E52-W63 PolarHBondContact OE1-NE1 2.91Å; E52-K67 VanDerWaalsContact CD-NZ 3.28Å; E52-K67 WeakPolarHBondContact OE1-CD 3.39Å; E52-K67 IonicContact OE1-NZ 2.67Å; E52-K67 PolarHBondContact OE1-NZ 3.33Å; E52-K67 WeakPolarHBondContact OE2-CE 3.42Å; E52-K67 IonicContact OE2-NZ 2.89Å; E52-K67 PolarHBondContact OE2-NZ 2.95Å; E52-L79 HydrophobicContact CB-CB 4.47Å; E52-L79 WeakPolarHBondContact OE2-CD1 3.43Å; E52-K80 PolarHBondContact N-O 3.23Å; E52-Y81 HydrophobicContact CB-CD2 4.46Å; E52-Y81 HydrophobicContact CG-CD2 4.23Å; E52-Y81 WeakPolarHBondContact OE2-CD2 3.41Å; E52-F82 PolarHBondContact O-N 2.74Å; E52-V111 HydrophobicContact CB-CG2 4.39Å; E52-V111 HydrophobicContact CG-CG2 4.42Å; E52-W375 HydrophobicContact CG-CH2 4.03Å; E52-W375 HydrophobicContact CG-CZ2 4.05Å
53	M	98.9	Very high	98.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	104.1	174.4	-66.5	168.5	-171.2	0	0	108.6	V51 F82 L84 S100 T104 A110 V111 K112 C113 I139	V51-M53 HydrophobicContact CG1-CE 4.05Å; V51-M53 HydrophobicContact CG1-CG 4.25Å; M53-F82 WeakPolarHBondContact CA-O 3.36Å; M53-L84 HydrophobicContact CB-CD1 3.72Å; M53-L84 HydrophobicContact CB-CG 4.03Å; M53-L84 HydrophobicContact CG-CD1 3.83Å; M53-L84 HydrophobicContact CG-CG 4.31Å; M53-L84 HydrophobicContact SD-CD1 3.98Å; M53-S100 WeakPolarHBondContact CE-OG 3.37Å; M53-T104 WeakPolarHBondContact CE-OG1 3.36Å; M53-A110 HydrophobicContact CE-CB 3.88Å; M53-A110 HydrophobicContact SD-CB 4.44Å; M53-V111 PolarHBondContact N-O 2.95Å; M53-K112 HydrophobicContact CB-CB 3.98Å; M53-K112 HydrophobicContact CB-CG 3.85Å; M53-K112 HydrophobicContact SD-CB 4.08Å; M53-K112 HydrophobicContact SD-CD 3.88Å; M53-K112 HydrophobicContact SD-CG 4.09Å; M53-C113 WeakPolarHBondContact O-CB 3.4Å; M53-C113 PolarHBondContact O-N 3.15Å; M53-I139 HydrophobicContact CE-CD1 4.14Å; M53-I139 HydrophobicContact CE-CG2 4.5Å; M53-I139 HydrophobicContact SD-CD1 3.62Å
54	D	98.7	Very high	98.5	Very high	15 Å²	15	30.9 Å²	30.9	8%	0.08	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	165.9	175	-149.3	-18	0	0	0	111	R60 Y81 F82 L84	D54-R60 IonicContact OD1-NH1 2.67Å; D54-R60 IonicContact OD2-CZ 3.86Å; D54-R60 IonicContact OD2-NH1 3.61Å; D54-R60 IonicContact OD2-NH2 3.44Å; D54-Y81 HydrophobicContact CB-CE2 3.72Å; D54-Y81 WeakPolarHBondContact CB-OH 3.28Å; D54-Y81 PolarHBondContact OD2-OH 3.41Å; D54-F82 PolarHBondContact N-O 2.89Å; D54-L84 WeakPolarHBondContact O-CA 3.46Å; D54-L84 VanDerWaalsContact O-CB 3.23Å; D54-L84 WeakPolarHBondContact O-CB 3.43Å; D54-L84 PolarHBondContact O-N 3.3Å
55	G	98.6	Very high	98.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.			trans	-140.4	-151.4	-170.4	0	0	0	0	0	113.3	R60 A114	G55-R60 VanDerWaalsContact O-CD 3.27Å; G55-R60 WeakPolarHBondContact O-CD 3.49Å; G55-R60 WeakPolarHBondContact O-CG 3.34Å; G55-R60 PolarHBondContact O-NH1 3.24Å; G55-A114 VanDerWaalsContact CA-O 3.31Å; G55-A114 WeakPolarHBondContact CA-O 3.31Å
56	D	98.7	Very high	98.6	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.048	13%	0.133	C	C	.	.			trans	-122.9	165.5	-168.5	-67.1	-64.9	0	0	0	113.4	T59 R60 G85 L86 A114 T115 I116 T350	D56-T59 PolarHBondContact O-N 3.26Å; D56-T59 PolarHBondContact O-OG1 3.13Å; D56-R60 PolarHBondContact O-N 3.38Å; D56-G85 WeakPolarHBondContact OD1-CA 3.17Å; D56-L86 PolarHBondContact OD1-N 2.89Å; D56-L86 PolarHBondContact OD2-N 3.46Å; D56-A114 PolarHBondContact N-O 2.77Å; D56-T115 WeakPolarHBondContact OD2-CA 3.3Å; D56-I116 HydrophobicContact CB-CD1 3.91Å; D56-I116 HydrophobicContact CB-CG1 3.73Å; D56-I116 PolarHBondContact OD2-N 3.4Å; D56-T350 HydrophobicContact CB-CG2 3.99Å
57	E	98.5	Very high	98.6	Very high	9 Å²	9	27.2 Å²	27.2	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	49.3	-133.3	166.8	-55.4	-175	142.1	0	0	114.9	T59 R60 I61 I116 R122 T350 T352 Y355 R356	E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.43Å; E57-R60 PolarHBondContact O-N 3.06Å; E57-I61 PolarHBondContact O-N 2.9Å; E57-I116 HydrophobicContact CG-CD1 3.9Å; E57-I116 HydrophobicContact CG-CG1 4.32Å; E57-R122 IonicContact OE1-CZ 3.71Å; E57-R122 VanDerWaalsContact OE1-CZ 3.22Å; E57-R122 IonicContact OE1-NH1 3.78Å; E57-R122 PolarHBondContact OE1-NH1 2.92Å; E57-R122 IonicContact OE1-NH2 3.48Å; E57-R122 PolarHBondContact OE1-NH2 2.9Å; E57-R122 IonicContact OE2-NH2 2.95Å; E57-R122 PolarHBondContact OE2-NH2 3.28Å; E57-T350 WeakPolarHBondContact OE2-CB 3.24Å; E57-T350 PolarHBondContact OE2-OG1 3.28Å; E57-T352 WeakPolarHBondContact OE1-CG2 3.43Å; E57-T352 VanDerWaalsContact OE2-CA 3.29Å; E57-T352 WeakPolarHBondContact OE2-CA 3.42Å; E57-T352 WeakPolarHBondContact OE2-CB 3.31Å; E57-T352 PolarHBondContact OE2-OG1 3.38Å; E57-Y355 VanDerWaalsContact C-CD2 3.41Å; E57-Y355 HydrophobicContact CB-CD1 3.64Å; E57-Y355 HydrophobicContact CB-CD2 3.89Å; E57-Y355 HydrophobicContact CB-CE1 4.15Å; E57-Y355 HydrophobicContact CB-CE2 4.38Å; E57-Y355 HydrophobicContact CB-CG 3.49Å; E57-Y355 VanDerWaalsContact CB-CG 3.49Å; E57-Y355 HydrophobicContact CG-CD1 3.61Å; E57-Y355 HydrophobicContact CG-CE1 3.94Å; E57-Y355 HydrophobicContact CG-CG 4.03Å; E57-R356 IonicContact OE1-NH2 3.17Å
58	M	98.5	Very high	98.6	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-34.8	-172.8	-166	66.4	-131.4	0	0	111.6	I61 I62 T350 V351 H354 H358 T364 T366 T434	M58-I61 HydrophobicContact CE-CB 4.34Å; M58-I61 HydrophobicContact CE-CD1 4.35Å; M58-I61 HydrophobicContact CE-CG2 4.29Å; M58-I61 PolarHBondContact O-N 3.23Å; M58-I61 HydrophobicContact SD-CD1 4.36Å; M58-I62 HydrophobicContact CE-CD1 4.38Å; M58-I62 HydrophobicContact CE-CG1 4.26Å; M58-I62 HydrophobicContact CG-CD1 4.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.48Å; M58-I62 PolarHBondContact O-N 3.39Å; M58-T350 WeakPolarHBondContact CB-O 3.2Å; M58-T350 PolarHBondContact N-O 2.9Å; M58-V351 HydrophobicContact CB-CB 4.16Å; M58-H354 HydrophobicContact CG-CB 4.15Å; M58-H354 HydrophobicContact SD-CB 4.41Å; M58-H358 HydrophobicContact SD-CB 4.15Å; M58-T364 HydrophobicContact SD-CG2 4.31Å; M58-T366 HydrophobicContact CG-CG2 3.94Å; M58-T366 WeakPolarHBondContact CG-OG1 3.3Å; M58-T434 HydrophobicContact CE-CG2 4.01Å
59	T	98.2	Very high	98.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.7	-35.7	177.7	39.7	0	0	0	0	112.1	D56 E57 I61 I62 W63 C113 A114 T350 V351	D56-T59 PolarHBondContact O-N 3.26Å; D56-T59 PolarHBondContact O-OG1 3.13Å; E57-T59 VanDerWaalsContact C-N 3.27Å; E57-T59 PolarHBondContact O-N 3.43Å; T59-I61 VanDerWaalsContact C-N 3.33Å; T59-I61 PolarHBondContact O-N 3.31Å; T59-I62 PolarHBondContact O-N 2.85Å; T59-W63 WeakPolarHBondContact O-CB 3.36Å; T59-W63 PolarHBondContact O-N 3.36Å; T59-C113 VanDerWaalsContact C-SG 3.51Å; T59-A114 HydrophobicContact CG2-CB 3.96Å; T59-T350 WeakPolarHBondContact OG1-CA 3.27Å; T59-V351 HydrophobicContact CG2-CG2 4.4Å
60	R	98.7	Very high	98.6	Very high	80 Å²	80	25.6 Å²	25.6	30%	0.302	12%	0.116	S	C	.	.	H	α-helix	trans	-60	-41.9	173.9	-167.8	-177	-175.1	94.9	-5.6	112.2	D54 G55 D56 E57 W63 Q64 D83	D54-R60 IonicContact OD1-NH1 2.67Å; D54-R60 IonicContact OD2-CZ 3.86Å; D54-R60 IonicContact OD2-NH1 3.61Å; D54-R60 IonicContact OD2-NH2 3.44Å; G55-R60 VanDerWaalsContact O-CD 3.27Å; G55-R60 WeakPolarHBondContact O-CD 3.49Å; G55-R60 WeakPolarHBondContact O-CG 3.34Å; G55-R60 PolarHBondContact O-NH1 3.24Å; D56-R60 PolarHBondContact O-N 3.38Å; E57-R60 PolarHBondContact O-N 3.06Å; R60-W63 PolarHBondContact O-N 3.36Å; R60-Q64 PolarHBondContact O-N 3.41Å; R60-D83 IonicContact CZ-OD1 3.95Å; R60-D83 IonicContact CZ-OD2 2.8Å; R60-D83 IonicContact NH1-OD1 2.75Å; R60-D83 PolarHBondContact NH1-OD1 3.38Å; R60-D83 IonicContact NH1-OD2 3.42Å; R60-D83 IonicContact NH2-OD1 3.83Å; R60-D83 PolarHBondContact NH2-OD1 3.15Å; R60-D83 IonicContact NH2-OD2 3.22Å; R60-D83 PolarHBondContact NH2-OD2 3.03Å
61	I	98.4	Very high	98.6	Very high	59 Å²	59	25.6 Å²	25.6	30%	0.303	12%	0.116	S	C	.	.	H	α-helix	trans	-62.8	-47.2	177.8	-62.7	162.3	0	0	0	110.8	E57 M58 T59 W63 F65 Y355 H358	E57-I61 PolarHBondContact O-N 2.9Å; M58-I61 HydrophobicContact CE-CB 4.34Å; M58-I61 HydrophobicContact CE-CD1 4.35Å; M58-I61 HydrophobicContact CE-CG2 4.29Å; M58-I61 PolarHBondContact O-N 3.23Å; M58-I61 HydrophobicContact SD-CD1 4.36Å; T59-I61 VanDerWaalsContact C-N 3.33Å; T59-I61 PolarHBondContact O-N 3.31Å; I61-W63 VanDerWaalsContact C-N 3.35Å; I61-F65 PolarHBondContact O-N 3.39Å; I61-Y355 HydrophobicContact CD1-CD2 4.05Å; I61-Y355 HydrophobicContact CD1-CE2 3.96Å; I61-H358 WeakPolarHBondContact CD1-CD2 3.36Å; I61-H358 VanDerWaalsContact CD1-NE2 3.27Å; I61-H358 WeakPolarHBondContact CD1-NE2 3.47Å
62	I	98.6	Very high	98.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.2	-42.1	177.5	-68.7	166.7	0	0	0	110.6	M58 T59 Q64 F65 I66 T366 P368 T434 L438	M58-I62 HydrophobicContact CE-CD1 4.38Å; M58-I62 HydrophobicContact CE-CG1 4.26Å; M58-I62 HydrophobicContact CG-CD1 4.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.48Å; M58-I62 PolarHBondContact O-N 3.39Å; T59-I62 PolarHBondContact O-N 2.85Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.46Å; I62-F65 PolarHBondContact O-N 2.88Å; I62-I66 HydrophobicContact CG2-CD1 3.62Å; I62-I66 HydrophobicContact CG2-CG1 4.22Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.48Å; I62-I66 PolarHBondContact O-N 3.43Å; I62-T366 HydrophobicContact CD1-CG2 3.56Å; I62-P368 HydrophobicContact CG2-CB 3.56Å; I62-T434 HydrophobicContact CD1-CG2 3.99Å; I62-T434 HydrophobicContact CG1-CG2 3.82Å; I62-L438 HydrophobicContact CG1-CD1 4.45Å
63	W	98.7	Very high	98.5	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-43.4	-179	-164.7	-104.2	0	0	0	112.2	E52 T59 R60 I61 F65 I66 K67 V111 C113 A374 W375	E52-W63 HydrophobicContact CG-CZ2 4.45Å; E52-W63 PolarHBondContact OE1-NE1 2.91Å; T59-W63 WeakPolarHBondContact O-CB 3.36Å; T59-W63 PolarHBondContact O-N 3.36Å; R60-W63 PolarHBondContact O-N 3.36Å; I61-W63 VanDerWaalsContact C-N 3.35Å; W63-F65 PolarHBondContact O-N 2.85Å; W63-I66 PolarHBondContact O-N 3.14Å; W63-K67 WeakPolarHBondContact O-CB 3.41Å; W63-K67 PolarHBondContact O-N 3.4Å; W63-V111 HydrophobicContact CH2-CB 3.99Å; W63-V111 HydrophobicContact CH2-CG2 4.31Å; W63-V111 HydrophobicContact CZ2-CB 4.09Å; W63-V111 HydrophobicContact CZ2-CG2 3.91Å; W63-C113 HydrophobicContact CB-CB 4.39Å; W63-C113 HydrophobicContact CD2-CB 3.68Å; W63-C113 HydrophobicContact CE3-CB 3.94Å; W63-C113 HydrophobicContact CG-CB 3.91Å; W63-C113 HydrophobicContact CZ2-CB 4.46Å; W63-C113 HydrophobicContact CZ3-CB 4.43Å; W63-A374 HydrophobicContact CH2-CB 4.31Å; W63-A374 HydrophobicContact CZ3-CB 4.21Å; W63-W375 AromaticContact CD2-NE1 3.4Å; W63-W375 AromaticContact CE2-CE2 3.68Å; W63-W375 AromaticContact CE2-CZ2 3.7Å; W63-W375 AromaticContact CE2-NE1 3.23Å; W63-W375 AromaticContact CE3-CD1 3.9Å; W63-W375 AromaticContact CE3-NE1 3.45Å; W63-W375 AromaticContact CH2-CD1 3.5Å; W63-W375 VanDerWaalsContact CH2-CD1 3.5Å; W63-W375 AromaticContact CH2-CE2 3.91Å; W63-W375 HydrophobicContact CH2-CG 4.32Å; W63-W375 AromaticContact CH2-NE1 3.22Å; W63-W375 AromaticContact CZ2-CD1 3.92Å; W63-W375 HydrophobicContact CZ2-CD2 4.42Å; W63-W375 AromaticContact CZ2-CE2 3.5Å; W63-W375 AromaticContact CZ2-CZ2 3.73Å; W63-W375 HydrophobicContact CZ2-CZ2 3.73Å; W63-W375 AromaticContact CZ2-NE1 3.15Å; W63-W375 AromaticContact CZ3-CD1 3.48Å; W63-W375 VanDerWaalsContact CZ3-CD1 3.48Å; W63-W375 AromaticContact CZ3-NE1 3.36Å; W63-W375 AromaticContact NE1-CZ2 3.68Å; W63-W375 AromaticContact NE1-NE1 3.97Å
64	Q	98.6	Very high	98.5	Very high	108 Å²	108	32.8 Å²	32.8	51%	0.505	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-47.2	174.8	-174.5	178.8	10.8	0	0	111.6	R60 I62 I66 K67 E68	R60-Q64 PolarHBondContact O-N 3.41Å; I62-Q64 VanDerWaalsContact C-N 3.34Å; I62-Q64 PolarHBondContact O-N 3.46Å; Q64-I66 PolarHBondContact O-N 3Å; Q64-K67 PolarHBondContact O-N 3.45Å; Q64-E68 HydrophobicContact CG-CG 4.33Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.44Å; Q64-E68 PolarHBondContact NE2-OE1 3.2Å; Q64-E68 WeakPolarHBondContact O-CB 3.29Å; Q64-E68 WeakPolarHBondContact O-CG 3.3Å; Q64-E68 PolarHBondContact O-N 3.05Å
65	F	98.7	Very high	98.5	Very high	32 Å²	32	32 Å²	32	14%	0.14	15%	0.152	C	C	.	.	H	α-helix	trans	-59.8	-48	177.1	-174.5	-75.5	0	0	0	111.2	I61 I62 W63 K67 E68 K69 L70 L438 D439 K442	I61-F65 PolarHBondContact O-N 3.39Å; I62-F65 PolarHBondContact O-N 2.88Å; W63-F65 PolarHBondContact O-N 2.85Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 2.71Å; F65-E68 PolarHBondContact O-N 3.29Å; F65-K69 HydrophobicContact CD1-CB 3.96Å; F65-K69 HydrophobicContact CD1-CG 4.24Å; F65-K69 HydrophobicContact CD2-CG 4Å; F65-K69 HydrophobicContact CE1-CB 3.71Å; F65-K69 HydrophobicContact CE1-CG 4.19Å; F65-K69 HydrophobicContact CE2-CB 4.35Å; F65-K69 HydrophobicContact CE2-CG 3.97Å; F65-K69 HydrophobicContact CG-CB 4.37Å; F65-K69 HydrophobicContact CG-CG 4.14Å; F65-K69 HydrophobicContact CZ-CB 3.93Å; F65-K69 HydrophobicContact CZ-CG 4.07Å; F65-K69 WeakPolarHBondContact O-CA 3.44Å; F65-K69 VanDerWaalsContact O-CB 3.23Å; F65-K69 WeakPolarHBondContact O-CB 3.37Å; F65-K69 PolarHBondContact O-N 3.39Å; F65-L70 HydrophobicContact CD1-CG 4.31Å; F65-L70 HydrophobicContact CE1-CD1 4.48Å; F65-L70 HydrophobicContact CE1-CD2 4.1Å; F65-L70 HydrophobicContact CE1-CG 4.11Å; F65-L438 HydrophobicContact CB-CD1 4.03Å; F65-L438 HydrophobicContact CD1-CB 3.84Å; F65-L438 HydrophobicContact CD1-CD1 4.05Å; F65-L438 HydrophobicContact CD1-CD2 3.78Å; F65-L438 HydrophobicContact CD1-CG 4.11Å; F65-L438 HydrophobicContact CD2-CB 4.35Å; F65-L438 HydrophobicContact CD2-CD1 4.35Å; F65-L438 HydrophobicContact CE1-CB 3.61Å; F65-L438 HydrophobicContact CE1-CD2 4.14Å; F65-L438 HydrophobicContact CE1-CG 4.35Å; F65-L438 HydrophobicContact CE2-CB 4.12Å; F65-L438 HydrophobicContact CG-CB 4.22Å; F65-L438 HydrophobicContact CG-CD1 3.89Å; F65-L438 HydrophobicContact CG-CD2 4.45Å; F65-L438 HydrophobicContact CG-CG 4.43Å; F65-L438 HydrophobicContact CZ-CB 3.76Å; F65-D439 WeakPolarHBondContact CE2-OD1 3.49Å; F65-D439 WeakPolarHBondContact CZ-OD1 3.38Å; F65-K442 HydrophobicContact CE1-CB 4.4Å; F65-K442 HydrophobicContact CZ-CB 4.3Å; F65-K442 HydrophobicContact CZ-CD 4.46Å
66	I	98.7	Very high	98.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.167	C	C	.	.	I	π-helix	trans	-56.4	-52	-179.3	-65.1	165.8	0	0	0	109.8	I62 W63 Q64 L70 I71 I372 W375 L438	I62-I66 HydrophobicContact CG2-CD1 3.62Å; I62-I66 HydrophobicContact CG2-CG1 4.22Å; I62-I66 VanDerWaalsContact O-CG1 3.31Å; I62-I66 WeakPolarHBondContact O-CG1 3.48Å; I62-I66 PolarHBondContact O-N 3.43Å; W63-I66 PolarHBondContact O-N 3.14Å; Q64-I66 PolarHBondContact O-N 3Å; I66-L70 HydrophobicContact CB-CD1 4.5Å; I66-L70 HydrophobicContact CG1-CD1 4.22Å; I66-L70 HydrophobicContact CG2-CB 4.5Å; I66-L70 HydrophobicContact CG2-CD1 4.44Å; I66-L70 CarbonylContact O-C 3.51Å; I66-L70 WeakPolarHBondContact O-CA 3.34Å; I66-L70 VanDerWaalsContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CB 3.45Å; I66-L70 PolarHBondContact O-N 3.03Å; I66-I71 HydrophobicContact CG2-CD1 4.39Å; I66-I71 HydrophobicContact CG2-CG1 3.95Å; I66-I71 PolarHBondContact O-N 2.9Å; I66-I372 HydrophobicContact CD1-CG1 3.65Å; I66-I372 HydrophobicContact CG1-CG1 3.75Å; I66-I372 HydrophobicContact CG2-CG1 4.4Å; I66-W375 HydrophobicContact CG2-CB 4.41Å; I66-W375 VanDerWaalsContact CG2-CD1 3.44Å; I66-W375 HydrophobicContact CG2-CD2 4.5Å; I66-W375 HydrophobicContact CG2-CG 3.87Å; I66-L438 HydrophobicContact CG1-CD2 4.49Å
67	K	98.6	Very high	98.5	Very high	44 Å²	44	35 Å²	35	19%	0.191	17%	0.168	C	C	.	.	I	π-helix	trans	-57.9	-54.3	179.2	176.3	177	179.3	169.4	0	112.4	E52 W63 Q64 F65 L72 L79 W375	E52-K67 VanDerWaalsContact CD-NZ 3.28Å; E52-K67 WeakPolarHBondContact OE1-CD 3.39Å; E52-K67 IonicContact OE1-NZ 2.67Å; E52-K67 PolarHBondContact OE1-NZ 3.33Å; E52-K67 WeakPolarHBondContact OE2-CE 3.42Å; E52-K67 IonicContact OE2-NZ 2.89Å; E52-K67 PolarHBondContact OE2-NZ 2.95Å; W63-K67 WeakPolarHBondContact O-CB 3.41Å; W63-K67 PolarHBondContact O-N 3.4Å; Q64-K67 PolarHBondContact O-N 3.45Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 2.71Å; K67-L72 HydrophobicContact CD-CD1 4.45Å; K67-L72 HydrophobicContact CG-CD1 3.71Å; K67-L72 HydrophobicContact CG-CG 4.07Å; K67-L72 WeakPolarHBondContact O-CB 3.15Å; K67-L72 WeakPolarHBondContact O-CG 3.37Å; K67-L72 PolarHBondContact O-N 3.1Å; K67-L79 HydrophobicContact CD-CD1 4.48Å; K67-W375 HydrophobicContact CB-CH2 4.45Å; K67-W375 HydrophobicContact CB-CZ2 4.03Å; K67-W375 HydrophobicContact CG-CH2 4.37Å; K67-W375 HydrophobicContact CG-CZ2 4.39Å
68	E	98.5	Very high	98.5	Very high	90 Å²	90	40 Å²	40	42%	0.421	19%	0.191	S	C	.	.	I	π-helix	trans	-76.1	-30	-171.5	-70.5	-175.7	-167.5	0	0	113.9	Q64 F65 P73	Q64-E68 HydrophobicContact CG-CG 4.33Å; Q64-E68 WeakPolarHBondContact CG-OE1 3.44Å; Q64-E68 PolarHBondContact NE2-OE1 3.2Å; Q64-E68 WeakPolarHBondContact O-CB 3.29Å; Q64-E68 WeakPolarHBondContact O-CG 3.3Å; Q64-E68 PolarHBondContact O-N 3.05Å; F65-E68 PolarHBondContact O-N 3.29Å; E68-P73 VanDerWaalsContact O-CD 3.3Å; E68-P73 WeakPolarHBondContact O-CD 3.38Å; E68-P73 WeakPolarHBondContact O-CG 3.37Å
69	K	98.4	Very high	98.5	Very high	85 Å²	85	41.7 Å²	41.7	37%	0.37	20%	0.2	S	C	.	.	I	π-helix	trans	-114	-25	-169.4	-53.3	-58.2	179.9	-170.6	0	114.2	F65 K442	F65-K69 HydrophobicContact CD1-CB 3.96Å; F65-K69 HydrophobicContact CD1-CG 4.24Å; F65-K69 HydrophobicContact CD2-CG 4Å; F65-K69 HydrophobicContact CE1-CB 3.71Å; F65-K69 HydrophobicContact CE1-CG 4.19Å; F65-K69 HydrophobicContact CE2-CB 4.35Å; F65-K69 HydrophobicContact CE2-CG 3.97Å; F65-K69 HydrophobicContact CG-CB 4.37Å; F65-K69 HydrophobicContact CG-CG 4.14Å; F65-K69 HydrophobicContact CZ-CB 3.93Å; F65-K69 HydrophobicContact CZ-CG 4.07Å; F65-K69 WeakPolarHBondContact O-CA 3.44Å; F65-K69 VanDerWaalsContact O-CB 3.23Å; F65-K69 WeakPolarHBondContact O-CB 3.37Å; F65-K69 PolarHBondContact O-N 3.39Å; K69-K442 HydrophobicContact CB-CD 4.13Å
70	L	98.6	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-110.3	-29.9	-178.1	-53.2	-177.7	0	0	0	113.2	F65 I66 H74 I372 F394 L398 I441 K442 L445	F65-L70 HydrophobicContact CD1-CG 4.31Å; F65-L70 HydrophobicContact CE1-CD1 4.48Å; F65-L70 HydrophobicContact CE1-CD2 4.1Å; F65-L70 HydrophobicContact CE1-CG 4.11Å; I66-L70 HydrophobicContact CB-CD1 4.5Å; I66-L70 HydrophobicContact CG1-CD1 4.22Å; I66-L70 HydrophobicContact CG2-CB 4.5Å; I66-L70 HydrophobicContact CG2-CD1 4.44Å; I66-L70 CarbonylContact O-C 3.51Å; I66-L70 WeakPolarHBondContact O-CA 3.34Å; I66-L70 VanDerWaalsContact O-CB 3.3Å; I66-L70 WeakPolarHBondContact O-CB 3.45Å; I66-L70 PolarHBondContact O-N 3.03Å; L70-H74 PolarHBondContact O-CD2 2.78Å; L70-I372 HydrophobicContact CD1-CD1 3.89Å; L70-I372 HydrophobicContact CD1-CG1 4.06Å; L70-F394 WeakPolarHBondContact O-CZ 3.37Å; L70-L398 HydrophobicContact CB-CD2 4.47Å; L70-I441 HydrophobicContact CD1-CG2 4.03Å; L70-I441 HydrophobicContact CD2-CG2 4.27Å; L70-K442 HydrophobicContact CD2-CB 3.66Å; L70-K442 HydrophobicContact CD2-CG 4.05Å; L70-L445 HydrophobicContact CB-CD2 4.43Å; L70-L445 HydrophobicContact CD2-CD2 4.34Å
71	I	98.7	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-103	-67.7	-174.8	-52.8	-56.4	0	0	0	112.4	I66 P73 H74 V75 W375 L379 F394 L398	I66-I71 HydrophobicContact CG2-CD1 4.39Å; I66-I71 HydrophobicContact CG2-CG1 3.95Å; I66-I71 PolarHBondContact O-N 2.9Å; I71-P73 VanDerWaalsContact C-N 3.34Å; I71-H74 PolarHBondContact O-N 2.98Å; I71-V75 HydrophobicContact CG2-CB 4.45Å; I71-V75 PolarHBondContact O-N 3.06Å; I71-W375 HydrophobicContact CB-CE3 4.45Å; I71-W375 HydrophobicContact CD1-CB 4.1Å; I71-W375 HydrophobicContact CD1-CG 4.43Å; I71-W375 HydrophobicContact CG1-CB 4.39Å; I71-W375 HydrophobicContact CG1-CD2 3.97Å; I71-W375 HydrophobicContact CG1-CE3 3.91Å; I71-W375 HydrophobicContact CG1-CG 4.19Å; I71-W375 HydrophobicContact CG2-CE3 4.05Å; I71-W375 HydrophobicContact CG2-CZ3 4.14Å; I71-L379 HydrophobicContact CD1-CD1 4.05Å; I71-L379 HydrophobicContact CG2-CD1 3.98Å; I71-F394 HydrophobicContact CD1-CE1 4.19Å; I71-F394 HydrophobicContact CD1-CZ 4.34Å; I71-L398 HydrophobicContact CD1-CD2 3.8Å
72	L	98.4	Very high	98.5	Very high	57 Å²	57	45.2 Å²	45.2	30%	0.298	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.5	-171.9	-64.8	-178.4	0	0	0	115.6	R43 K67 H74 I77 L79	R43-L72 WeakPolarHBondContact CD-O 3.29Å; K67-L72 HydrophobicContact CD-CD1 4.45Å; K67-L72 HydrophobicContact CG-CD1 3.71Å; K67-L72 HydrophobicContact CG-CG 4.07Å; K67-L72 WeakPolarHBondContact O-CB 3.15Å; K67-L72 WeakPolarHBondContact O-CG 3.37Å; K67-L72 PolarHBondContact O-N 3.1Å; L72-H74 PolarHBondContact O-N 3.45Å; L72-I77 HydrophobicContact CD2-CG2 4.16Å; L72-L79 HydrophobicContact CD2-CD1 4.02Å
73	P	97.9	Very high	98.5	Very high	61 Å²	61	47 Å²	47	40%	0.396	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.2	171.6	-26.3	37.4	0	0	0	114.4	R43 E68 I71	R43-P73 WeakPolarHBondContact CG-O 3.48Å; E68-P73 VanDerWaalsContact O-CD 3.3Å; E68-P73 WeakPolarHBondContact O-CD 3.38Å; E68-P73 WeakPolarHBondContact O-CG 3.37Å; I71-P73 VanDerWaalsContact C-N 3.34Å
74	H	98.1	Very high	98.6	Very high	33 Å²	33	46.9 Å²	46.9	15%	0.153	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-17.5	-174.4	-52.6	-66.8	0	0	0	113.3	R43 I44 L70 I71 L72 F394 D446 L449	R43-H74 CarbonylContact C-O 3.51Å; R43-H74 VanDerWaalsContact CA-O 3.3Å; R43-H74 WeakPolarHBondContact CA-O 2.76Å; I44-H74 PolarHBondContact N-O 2.92Å; L70-H74 PolarHBondContact O-CD2 2.78Å; I71-H74 PolarHBondContact O-N 2.98Å; L72-H74 PolarHBondContact O-N 3.45Å; H74-F394 HydrophobicContact CB-CD2 4.16Å; H74-F394 HydrophobicContact CB-CE2 3.52Å; H74-F394 HydrophobicContact CB-CZ 4.1Å; H74-D446 IonicContact CE1-OD1 2.74Å; H74-D446 PolarHBondContact CE1-OD1 3.4Å; H74-D446 IonicContact NE2-OD1 2.87Å; H74-L449 HydrophobicContact CB-CD1 4.18Å; H74-L449 WeakPolarHBondContact ND1-CD1 3.27Å
75	V	98.5	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.2	-176.2	-171.8	0	0	0	0	110.3	V46 I71 I77 L391 F394	V46-V75 HydrophobicContact CG2-CG1 3.48Å; V46-V75 VanDerWaalsContact CG2-CG1 3.48Å; I71-V75 HydrophobicContact CG2-CB 4.45Å; I71-V75 PolarHBondContact O-N 3.06Å; V75-I77 HydrophobicContact CG1-CB 3.96Å; V75-I77 HydrophobicContact CG1-CG2 4.04Å; V75-I77 PolarHBondContact O-N 3.47Å; V75-L391 HydrophobicContact CG1-CD1 3.77Å; V75-L391 HydrophobicContact CG2-CD1 4.22Å; V75-F394 HydrophobicContact CG2-CD1 3.58Å; V75-F394 HydrophobicContact CG2-CD2 4.39Å; V75-F394 HydrophobicContact CG2-CE1 3.45Å; V75-F394 VanDerWaalsContact CG2-CE1 3.45Å; V75-F394 HydrophobicContact CG2-CE2 4.29Å; V75-F394 HydrophobicContact CG2-CG 4.07Å; V75-F394 HydrophobicContact CG2-CZ 3.84Å
76	D	98.4	Very high	98.5	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	91.2	173.4	-168.2	31.9	0	0	0	108.8	R43 I44 K45 V46	R43-D76 HydrophobicContact CB-CB 3.88Å; R43-D76 IonicContact CZ-OD1 3.87Å; R43-D76 IonicContact NH1-OD1 2.72Å; R43-D76 PolarHBondContact NH1-OD1 2.87Å; R43-D76 IonicContact NH2-OD1 3.83Å; R43-D76 IonicContact NH2-OD2 3.67Å; I44-D76 PolarHBondContact O-N 2.97Å; K45-D76 HydrophobicContact CD-CB 3.83Å; K45-D76 WeakPolarHBondContact CD-OD2 3.44Å; K45-D76 IonicContact NZ-OD2 3.57Å; K45-D76 PolarHBondContact NZ-OD2 3.25Å; V46-D76 PolarHBondContact N-O 2.87Å
77	I	98.4	Very high	98.5	Very high	14 Å²	14	44 Å²	44	7%	0.072	22%	0.217	C	C	.	.			trans	-126.6	139.4	-173.7	-172.9	166.1	0	0	0	111.3	V46 V50 L72 V75 L79 L379	V46-I77 HydrophobicContact CB-CB 3.98Å; V46-I77 HydrophobicContact CB-CD1 4.18Å; V46-I77 HydrophobicContact CB-CG1 3.89Å; V46-I77 HydrophobicContact CG1-CD1 3.87Å; V46-I77 HydrophobicContact CG1-CG1 3.96Å; V46-I77 HydrophobicContact CG2-CB 3.98Å; V46-I77 HydrophobicContact CG2-CD1 4.23Å; V46-I77 HydrophobicContact CG2-CG1 4.24Å; V50-I77 HydrophobicContact CB-CD1 3.98Å; V50-I77 HydrophobicContact CG2-CD1 3.54Å; L72-I77 HydrophobicContact CD2-CG2 4.16Å; V75-I77 HydrophobicContact CG1-CB 3.96Å; V75-I77 HydrophobicContact CG1-CG2 4.04Å; V75-I77 PolarHBondContact O-N 3.47Å; I77-L79 HydrophobicContact CG1-CD2 4.5Å; I77-L79 HydrophobicContact CG2-CD2 4.01Å; I77-L79 HydrophobicContact CG2-CG 4.25Å; I77-L79 PolarHBondContact O-N 3.34Å; I77-L379 HydrophobicContact CD1-CD2 3.55Å
78	Q	98.4	Very high	98.5	Very high	114 Å²	114	43.7 Å²	43.7	53%	0.533	22%	0.217	S	C	.	.			trans	-78.1	114.8	172.1	-65.3	178	36.2	0	0	109.8	P49 V50	P49-Q78 WeakPolarHBondContact CA-O 3.27Å; P49-Q78 HydrophobicContact CB-CB 4.03Å; P49-Q78 WeakPolarHBondContact CB-O 3.46Å; V50-Q78 PolarHBondContact N-O 2.96Å; V50-Q78 VanDerWaalsContact N-O 3.08Å
79	L	98.7	Very high	98.5	Very high	38 Å²	38	39.4 Å²	39.4	20%	0.199	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	175.1	-60.1	174	0	0	0	109.7	V50 E52 K67 L72 I77 Y81 W375	V50-L79 HydrophobicContact CB-CD2 4.26Å; V50-L79 WeakPolarHBondContact O-CA 3.39Å; E52-L79 HydrophobicContact CB-CB 4.47Å; E52-L79 WeakPolarHBondContact OE2-CD1 3.43Å; K67-L79 HydrophobicContact CD-CD1 4.48Å; L72-L79 HydrophobicContact CD2-CD1 4.02Å; I77-L79 HydrophobicContact CG1-CD2 4.5Å; I77-L79 HydrophobicContact CG2-CD2 4.01Å; I77-L79 HydrophobicContact CG2-CG 4.25Å; I77-L79 PolarHBondContact O-N 3.34Å; L79-Y81 PolarHBondContact O-N 2.87Å; L79-W375 HydrophobicContact CD1-CH2 3.91Å; L79-W375 HydrophobicContact CD1-CZ3 4.31Å; L79-W375 HydrophobicContact CD2-CH2 4.16Å; L79-W375 HydrophobicContact CD2-CZ3 3.97Å
80	K	98.8	Very high	98.6	Very high	74 Å²	74	36.4 Å²	36.4	32%	0.322	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	92.1	167.2	-60.9	-60.6	-179.8	-168.4	0	107	P49 V50 V51 E52 F82 Y107	P49-K80 HydrophobicContact CB-CG 3.9Å; P49-K80 HydrophobicContact CG-CG 4.34Å; V50-K80 PolarHBondContact O-N 3.04Å; V51-K80 WeakPolarHBondContact CA-O 3.3Å; V51-K80 HydrophobicContact CG2-CB 4.28Å; E52-K80 PolarHBondContact N-O 3.23Å; K80-F82 HydrophobicContact CB-CE2 4.03Å; K80-F82 VanDerWaalsContact O-CD2 3.24Å; K80-F82 WeakPolarHBondContact O-CD2 3.32Å; K80-F82 WeakPolarHBondContact O-CE2 3.37Å; K80-Y107 HydrophobicContact CB-CE2 4.48Å; K80-Y107 HydrophobicContact CD-CE2 4.29Å; K80-Y107 HydrophobicContact CG-CD2 3.96Å; K80-Y107 HydrophobicContact CG-CE2 3.72Å
81	Y	98.8	Very high	98.6	Very high	97 Å²	97	43.2 Å²	43.2	38%	0.38	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131	-172	-179.2	-101.4	0	0	0	111.9	E52 D54 L79 D83	E52-Y81 HydrophobicContact CB-CD2 4.46Å; E52-Y81 HydrophobicContact CG-CD2 4.23Å; E52-Y81 WeakPolarHBondContact OE2-CD2 3.41Å; D54-Y81 HydrophobicContact CB-CE2 3.72Å; D54-Y81 WeakPolarHBondContact CB-OH 3.28Å; D54-Y81 PolarHBondContact OD2-OH 3.41Å; L79-Y81 PolarHBondContact O-N 2.87Å; Y81-D83 HydrophobicContact CE1-CB 3.92Å
82	F	98.9	Very high	98.6	Very high	42 Å²	42	45.4 Å²	45.4	18%	0.184	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.2	172.4	-64.1	-93.8	0	0	0	108.4	V51 E52 M53 D54 K80 L84 V96 D99 A103	V51-F82 HydrophobicContact CG1-CD2 3.74Å; V51-F82 HydrophobicContact CG1-CE2 3.91Å; E52-F82 PolarHBondContact O-N 2.74Å; M53-F82 WeakPolarHBondContact CA-O 3.36Å; D54-F82 PolarHBondContact N-O 2.89Å; K80-F82 HydrophobicContact CB-CE2 4.03Å; K80-F82 VanDerWaalsContact O-CD2 3.24Å; K80-F82 WeakPolarHBondContact O-CD2 3.32Å; K80-F82 WeakPolarHBondContact O-CE2 3.37Å; F82-L84 HydrophobicContact CB-CD2 4.35Å; F82-L84 PolarHBondContact O-N 3.13Å; F82-V96 HydrophobicContact CB-CG2 4.14Å; F82-V96 HydrophobicContact CD1-CG2 4.21Å; F82-D99 HydrophobicContact CD1-CB 4.31Å; F82-D99 HydrophobicContact CE1-CB 3.88Å; F82-A103 HydrophobicContact CE1-CB 4.49Å; F82-A103 HydrophobicContact CE2-CB 3.52Å; F82-A103 HydrophobicContact CZ-CB 3.43Å; F82-A103 VanDerWaalsContact CZ-CB 3.43Å
83	D	98.8	Very high	98.5	Very high	37 Å²	37	47 Å²	47	20%	0.198	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	100.5	177.5	-170.7	-6	0	0	0	109.9	R60 Y81 G85 N88	R60-D83 IonicContact CZ-OD1 3.95Å; R60-D83 IonicContact CZ-OD2 2.8Å; R60-D83 IonicContact NH1-OD1 2.75Å; R60-D83 PolarHBondContact NH1-OD1 3.38Å; R60-D83 IonicContact NH1-OD2 3.42Å; R60-D83 IonicContact NH2-OD1 3.83Å; R60-D83 PolarHBondContact NH2-OD1 3.15Å; R60-D83 IonicContact NH2-OD2 3.22Å; R60-D83 PolarHBondContact NH2-OD2 3.03Å; Y81-D83 HydrophobicContact CE1-CB 3.92Å; D83-G85 WeakPolarHBondContact OD1-CA 3.5Å; D83-G85 PolarHBondContact OD1-N 3.04Å; D83-N88 HydrophobicContact CB-CB 4.26Å; D83-N88 PolarHBondContact O-ND2 3.02Å
84	L	98.8	Very high	98.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.225	C	C	.	.			trans	-89.8	12.4	175	-49.4	-170.6	0	0	0	112.7	M53 D54 F82 L86 R89 V96 T115 I139	M53-L84 HydrophobicContact CB-CD1 3.72Å; M53-L84 HydrophobicContact CB-CG 4.03Å; M53-L84 HydrophobicContact CG-CD1 3.83Å; M53-L84 HydrophobicContact CG-CG 4.31Å; M53-L84 HydrophobicContact SD-CD1 3.98Å; D54-L84 WeakPolarHBondContact O-CA 3.46Å; D54-L84 VanDerWaalsContact O-CB 3.23Å; D54-L84 WeakPolarHBondContact O-CB 3.43Å; D54-L84 PolarHBondContact O-N 3.3Å; F82-L84 HydrophobicContact CB-CD2 4.35Å; F82-L84 PolarHBondContact O-N 3.13Å; L84-L86 PolarHBondContact O-N 3.43Å; L84-R89 VanDerWaalsContact O-CD 3.3Å; L84-R89 WeakPolarHBondContact O-CD 3.29Å; L84-R89 PolarHBondContact O-NE 2.88Å; L84-V96 HydrophobicContact CD2-CB 4.36Å; L84-V96 HydrophobicContact CD2-CG1 3.88Å; L84-V96 HydrophobicContact CD2-CG2 3.95Å; L84-T115 HydrophobicContact CB-CG2 3.79Å; L84-I139 HydrophobicContact CD1-CD1 3.94Å
85	G	98.6	Very high	98.6	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	24%	0.237	C	C	.	.			trans	-53	136.4	168.7	0	0	0	0	0	110.5	D56 D83 P87 N88 R89	D56-G85 WeakPolarHBondContact OD1-CA 3.17Å; D83-G85 WeakPolarHBondContact OD1-CA 3.5Å; D83-G85 PolarHBondContact OD1-N 3.04Å; G85-P87 VanDerWaalsContact C-CD 3.41Å; G85-P87 VanDerWaalsContact C-N 3.3Å; G85-N88 PolarHBondContact O-N 2.86Å; G85-R89 PolarHBondContact O-N 2.6Å
86	L	98.5	Very high	98.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-50.2	-41.2	-175.2	177.8	63	0	0	0	113.4	D56 L84 N88 R89 D90 I116 P118 F126 L128	D56-L86 PolarHBondContact OD1-N 2.89Å; D56-L86 PolarHBondContact OD2-N 3.46Å; L84-L86 PolarHBondContact O-N 3.43Å; L86-N88 PolarHBondContact O-N 3.22Å; L86-R89 VanDerWaalsContact CD1-NH2 3.29Å; L86-R89 PolarHBondContact O-N 2.87Å; L86-D90 PolarHBondContact O-N 3.3Å; L86-I116 HydrophobicContact CB-CB 4.44Å; L86-I116 HydrophobicContact CB-CD1 4.43Å; L86-I116 HydrophobicContact CD2-CB 4.14Å; L86-I116 HydrophobicContact CD2-CD1 4Å; L86-I116 HydrophobicContact CD2-CG2 3.87Å; L86-P118 HydrophobicContact CD1-CB 4.38Å; L86-P118 HydrophobicContact CD1-CG 4.28Å; L86-F126 HydrophobicContact CD2-CB 4.12Å; L86-F126 HydrophobicContact CD2-CD1 3.94Å; L86-F126 HydrophobicContact CD2-CD2 3.5Å; L86-F126 HydrophobicContact CD2-CE1 4.2Å; L86-F126 HydrophobicContact CD2-CE2 3.8Å; L86-F126 HydrophobicContact CD2-CG 3.58Å; L86-F126 HydrophobicContact CD2-CZ 4.14Å; L86-F126 HydrophobicContact CG-CD1 4.29Å; L86-F126 HydrophobicContact CG-CG 4.27Å; L86-L128 HydrophobicContact CD1-CD1 3.9Å; L86-L128 HydrophobicContact CD1-CD2 3.89Å; L86-L128 HydrophobicContact CD2-CD1 4.24Å; L86-L128 HydrophobicContact CD2-CD2 4.28Å; L86-L128 HydrophobicContact CG-CD1 4.43Å; L86-L128 HydrophobicContact CG-CD2 3.93Å
87	P	98.5	Very high	98.6	Very high	77 Å²	77	45.4 Å²	45.4	50%	0.5	23%	0.226	S	C	.	.	H	α-helix	trans	-58.8	-43	174	-25.4	35.4	0	0	0	113.9	G85 D90 Q91 F126	G85-P87 VanDerWaalsContact C-CD 3.41Å; G85-P87 VanDerWaalsContact C-N 3.3Å; P87-D90 PolarHBondContact O-N 3.38Å; P87-Q91 WeakPolarHBondContact O-CB 3.43Å; P87-Q91 PolarHBondContact O-N 3.46Å; P87-F126 HydrophobicContact CG-CD1 4.18Å; P87-F126 HydrophobicContact CG-CE1 4.19Å
88	N	98.7	Very high	98.6	Very high	39 Å²	39	47.5 Å²	47.5	21%	0.209	24%	0.237	C	C	.	.	H	α-helix	trans	-75	-32.9	-179.4	-171.8	55	0	0	0	112	D83 G85 L86 Q91 T92	D83-N88 HydrophobicContact CB-CB 4.26Å; D83-N88 PolarHBondContact O-ND2 3.02Å; G85-N88 PolarHBondContact O-N 2.86Å; L86-N88 PolarHBondContact O-N 3.22Å; N88-Q91 PolarHBondContact O-N 3.37Å; N88-T92 WeakPolarHBondContact O-CB 3.31Å; N88-T92 WeakPolarHBondContact O-CG2 3.37Å; N88-T92 PolarHBondContact O-N 2.63Å; N88-T92 PolarHBondContact O-OG1 2.69Å
89	R	98.6	Very high	98.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-44.7	170.6	-70.8	-169.6	-60.6	116.7	1.2	111.4	L84 G85 L86 Q91 T92 D93 D94 V96 T97 I116 P135	L84-R89 VanDerWaalsContact O-CD 3.3Å; L84-R89 WeakPolarHBondContact O-CD 3.29Å; L84-R89 PolarHBondContact O-NE 2.88Å; G85-R89 PolarHBondContact O-N 2.6Å; L86-R89 VanDerWaalsContact CD1-NH2 3.29Å; L86-R89 PolarHBondContact O-N 2.87Å; R89-Q91 PolarHBondContact O-N 2.93Å; R89-T92 PolarHBondContact O-N 3.38Å; R89-T92 PolarHBondContact O-OG1 2.89Å; R89-D93 PolarHBondContact O-N 2.67Å; R89-D93 VanDerWaalsContact O-N 3.16Å; R89-D94 WeakPolarHBondContact CD-OD1 3.32Å; R89-D94 IonicContact NH1-OD1 2.78Å; R89-D94 WeakPolarHBondContact O-CA 3.34Å; R89-D94 PolarHBondContact O-N 3.22Å; R89-V96 HydrophobicContact CB-CG1 4.45Å; R89-V96 HydrophobicContact CG-CG1 3.68Å; R89-T97 WeakPolarHBondContact CD-OG1 3.37Å; R89-I116 PolarHBondContact NH2-O 3.45Å; R89-P135 VanDerWaalsContact CZ-CG 3.47Å
90	D	98.6	Very high	98.6	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.118	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-42	175	-169.6	77.7	0	0	0	112.4	L86 P87 T92 D93 L128 K129 W132	L86-D90 PolarHBondContact O-N 3.3Å; P87-D90 PolarHBondContact O-N 3.38Å; D90-T92 VanDerWaalsContact C-N 3.33Å; D90-T92 PolarHBondContact O-N 3.04Å; D90-D93 PolarHBondContact O-N 2.7Å; D90-L128 HydrophobicContact CB-CD2 3.82Å; D90-L128 WeakPolarHBondContact OD1-CA 3.41Å; D90-K129 WeakPolarHBondContact O-CE 3.26Å; D90-K129 PolarHBondContact O-NZ 2.82Å; D90-K129 PolarHBondContact OD1-N 2.61Å; D90-W132 PolarHBondContact OD1-NE1 2.89Å
91	Q	98.6	Very high	98.6	Very high	143 Å²	143	39.9 Å²	39.9	67%	0.668	20%	0.204	S	C	*	.	H	α-helix	trans	-59.6	-42.2	177	-176.3	177.6	-6.7	0	0	112.5	P87 N88 R89 D93 K129	P87-Q91 WeakPolarHBondContact O-CB 3.43Å; P87-Q91 PolarHBondContact O-N 3.46Å; N88-Q91 PolarHBondContact O-N 3.37Å; R89-Q91 PolarHBondContact O-N 2.93Å; Q91-D93 VanDerWaalsContact C-N 3.34Å; Q91-K129 PolarHBondContact O-NZ 3.36Å
92	T	98.6	Very high	98.6	Very high	46 Å²	46	39.3 Å²	39.3	28%	0.282	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	10.2	-176.9	59.6	0	0	0	0	114	N88 R89 D90 D94 Q95 V96	N88-T92 WeakPolarHBondContact O-CB 3.31Å; N88-T92 WeakPolarHBondContact O-CG2 3.37Å; N88-T92 PolarHBondContact O-N 2.63Å; N88-T92 PolarHBondContact O-OG1 2.69Å; R89-T92 PolarHBondContact O-N 3.38Å; R89-T92 PolarHBondContact O-OG1 2.89Å; D90-T92 VanDerWaalsContact C-N 3.33Å; D90-T92 PolarHBondContact O-N 3.04Å; T92-D94 PolarHBondContact O-N 2.99Å; T92-Q95 WeakPolarHBondContact O-CB 3.41Å; T92-Q95 PolarHBondContact O-N 2.93Å; T92-V96 HydrophobicContact CG2-CB 4.41Å; T92-V96 VanDerWaalsContact OG1-CG1 3.3Å; T92-V96 WeakPolarHBondContact OG1-CG1 3.48Å; T92-V96 PolarHBondContact OG1-N 2.82Å
93	D	98.4	Very high	98.5	Very high	90 Å²	90	37.8 Å²	37.8	48%	0.481	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	39	-175	-60.8	-51.9	0	0	0	113	R89 D90 Q91 Q95 K129 W132	R89-D93 PolarHBondContact O-N 2.67Å; R89-D93 VanDerWaalsContact O-N 3.16Å; D90-D93 PolarHBondContact O-N 2.7Å; Q91-D93 VanDerWaalsContact C-N 3.34Å; D93-Q95 PolarHBondContact O-N 3.38Å; D93-K129 VanDerWaalsContact OD1-CD 3.25Å; D93-K129 WeakPolarHBondContact OD1-CD 3.26Å; D93-K129 IonicContact OD1-NZ 2.91Å; D93-K129 PolarHBondContact OD1-NZ 2.92Å; D93-K129 IonicContact OD2-NZ 3.52Å; D93-W132 HydrophobicContact CB-CH2 3.69Å; D93-W132 HydrophobicContact CB-CZ2 4.44Å; D93-W132 HydrophobicContact CB-CZ3 4.29Å; D93-W132 WeakPolarHBondContact O-CZ3 3.49Å; D93-W132 WeakPolarHBondContact OD1-CH2 3.48Å
94	D	97.8	Very high	98.5	Very high	16 Å²	16	36 Å²	36	9%	0.086	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	10.1	-176.7	-154.6	38.2	0	0	0	115	R89 T92 V96 T97 W132	R89-D94 WeakPolarHBondContact CD-OD1 3.32Å; R89-D94 IonicContact NH1-OD1 2.78Å; R89-D94 WeakPolarHBondContact O-CA 3.34Å; R89-D94 PolarHBondContact O-N 3.22Å; T92-D94 PolarHBondContact O-N 2.99Å; D94-V96 VanDerWaalsContact C-N 3.3Å; D94-V96 PolarHBondContact O-N 3.43Å; D94-T97 VanDerWaalsContact O-CB 3.32Å; D94-T97 WeakPolarHBondContact O-CB 3.29Å; D94-T97 PolarHBondContact O-N 2.93Å; D94-T97 WeakPolarHBondContact OD1-CB 3.27Å; D94-T97 PolarHBondContact OD1-OG1 3.18Å; D94-W132 HydrophobicContact CB-CD2 4.1Å; D94-W132 HydrophobicContact CB-CE3 3.61Å; D94-W132 HydrophobicContact CB-CZ3 4.08Å
95	Q	98.6	Very high	98.4	Very high	88 Å²	88	40.2 Å²	40.2	41%	0.411	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-34.1	178.7	-171.8	59.3	47.3	0	0	112.4	T92 D93 T97 I98 D99	T92-Q95 WeakPolarHBondContact O-CB 3.41Å; T92-Q95 PolarHBondContact O-N 2.93Å; D93-Q95 PolarHBondContact O-N 3.38Å; Q95-T97 PolarHBondContact O-N 3.33Å; Q95-I98 PolarHBondContact O-N 2.86Å; Q95-D99 PolarHBondContact NE2-OD1 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.29Å; Q95-D99 PolarHBondContact O-N 2.84Å
96	V	98.8	Very high	98.4	Very high	14 Å²	14	47.2 Å²	47.2	9%	0.085	24%	0.242	C	C	.	.	H	α-helix	trans	-58.1	-33.1	176.8	68.8	0	0	0	0	112.4	F82 L84 R89 T92 D94 S100	F82-V96 HydrophobicContact CB-CG2 4.14Å; F82-V96 HydrophobicContact CD1-CG2 4.21Å; L84-V96 HydrophobicContact CD2-CB 4.36Å; L84-V96 HydrophobicContact CD2-CG1 3.88Å; L84-V96 HydrophobicContact CD2-CG2 3.95Å; R89-V96 HydrophobicContact CB-CG1 4.45Å; R89-V96 HydrophobicContact CG-CG1 3.68Å; T92-V96 HydrophobicContact CG2-CB 4.41Å; T92-V96 VanDerWaalsContact OG1-CG1 3.3Å; T92-V96 WeakPolarHBondContact OG1-CG1 3.48Å; T92-V96 PolarHBondContact OG1-N 2.82Å; D94-V96 VanDerWaalsContact C-N 3.3Å; D94-V96 PolarHBondContact O-N 3.43Å; V96-S100 WeakPolarHBondContact O-CB 3.41Å; V96-S100 PolarHBondContact O-N 3.36Å; V96-S100 PolarHBondContact O-OG 2.9Å
97	T	98.5	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-46.4	176.1	-57.6	0	0	0	0	110.7	R89 D94 Q95 S100 A101 P135 T138 I139	R89-T97 WeakPolarHBondContact CD-OG1 3.37Å; D94-T97 VanDerWaalsContact O-CB 3.32Å; D94-T97 WeakPolarHBondContact O-CB 3.29Å; D94-T97 PolarHBondContact O-N 2.93Å; D94-T97 WeakPolarHBondContact OD1-CB 3.27Å; D94-T97 PolarHBondContact OD1-OG1 3.18Å; Q95-T97 PolarHBondContact O-N 3.33Å; T97-S100 PolarHBondContact O-OG 3.46Å; T97-A101 PolarHBondContact O-N 3.37Å; T97-P135 HydrophobicContact CG2-CB 3.92Å; T97-T138 HydrophobicContact CG2-CG2 3.78Å; T97-I139 HydrophobicContact CG2-CD1 4.49Å; T97-I139 HydrophobicContact CG2-CG1 4.21Å
98	I	98.4	Very high	98.4	Very high	58 Å²	58	46.5 Å²	46.5	30%	0.297	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-47.8	178.2	-63.1	171.8	0	0	0	110.3	Q95 S100 A101 L102 T138 I142	Q95-I98 PolarHBondContact O-N 2.86Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.37Å; I98-A101 WeakPolarHBondContact O-CB 3.37Å; I98-A101 PolarHBondContact O-N 3.26Å; I98-A101 VanDerWaalsContact O-N 3.07Å; I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 HydrophobicContact CG2-CG 4.4Å; I98-L102 WeakPolarHBondContact O-CG 3.36Å; I98-L102 PolarHBondContact O-N 2.77Å; I98-T138 HydrophobicContact CG1-CG2 3.99Å; I98-I142 HydrophobicContact CB-CD1 4.33Å; I98-I142 HydrophobicContact CG1-CD1 4.33Å; I98-I142 HydrophobicContact CG2-CD1 4.02Å
99	D	98.8	Very high	98.4	Very high	67 Å²	67	44.6 Å²	44.6	36%	0.358	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-38.8	-178	-66.6	-13.2	0	0	0	111.7	F82 Q95 A101 L102 A103	F82-D99 HydrophobicContact CD1-CB 4.31Å; F82-D99 HydrophobicContact CE1-CB 3.88Å; Q95-D99 PolarHBondContact NE2-OD1 2.79Å; Q95-D99 VanDerWaalsContact O-CG 3.29Å; Q95-D99 PolarHBondContact O-N 2.84Å; D99-A101 PolarHBondContact O-N 3.07Å; D99-L102 PolarHBondContact O-N 3.4Å; D99-A103 WeakPolarHBondContact O-CB 3.35Å; D99-A103 PolarHBondContact O-N 3.39Å
100	S	98.7	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-39.8	175.8	76.9	0	0	0	0	112	M53 V96 T97 I98 A103 T104	M53-S100 WeakPolarHBondContact CE-OG 3.37Å; V96-S100 WeakPolarHBondContact O-CB 3.41Å; V96-S100 PolarHBondContact O-N 3.36Å; V96-S100 PolarHBondContact O-OG 2.9Å; T97-S100 PolarHBondContact O-OG 3.46Å; I98-S100 VanDerWaalsContact C-N 3.27Å; I98-S100 PolarHBondContact O-N 3.37Å; S100-A103 PolarHBondContact O-N 2.78Å; S100-T104 PolarHBondContact O-N 3.29Å; S100-T104 PolarHBondContact O-OG1 3.36Å
101	A	97.9	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.9	-43.8	177	0	0	0	0	0	111.8	T97 I98 D99 A103 T104 Q105 I139 I142 L143	T97-A101 PolarHBondContact O-N 3.37Å; I98-A101 WeakPolarHBondContact O-CB 3.37Å; I98-A101 PolarHBondContact O-N 3.26Å; I98-A101 VanDerWaalsContact O-N 3.07Å; D99-A101 PolarHBondContact O-N 3.07Å; A101-A103 VanDerWaalsContact C-N 3.31Å; A101-A103 PolarHBondContact O-N 2.99Å; A101-T104 WeakPolarHBondContact O-CB 2.94Å; A101-T104 PolarHBondContact O-N 2.65Å; A101-T104 VanDerWaalsContact O-N 3.09Å; A101-Q105 PolarHBondContact O-N 3.23Å; A101-I139 HydrophobicContact CB-CB 4.34Å; A101-I139 HydrophobicContact CB-CG1 4.11Å; A101-I139 HydrophobicContact CB-CG2 4.27Å; A101-I142 HydrophobicContact CB-CB 3.9Å; A101-I142 HydrophobicContact CB-CD1 3.67Å; A101-I142 HydrophobicContact CB-CG1 4.39Å; A101-I142 HydrophobicContact CB-CG2 3.79Å; A101-L143 WeakPolarHBondContact O-CD2 3.37Å
102	L	98.5	Very high	98.4	Very high	85 Å²	85	36.8 Å²	36.8	45%	0.445	18%	0.183	S	C	.	.	H	α-helix	trans	-63.2	-38.2	175.6	-64.1	176.9	0	0	0	111.6	I98 D99 T104 Q105 K106 I142	I98-L102 HydrophobicContact CG2-CD1 4.1Å; I98-L102 HydrophobicContact CG2-CG 4.4Å; I98-L102 WeakPolarHBondContact O-CG 3.36Å; I98-L102 PolarHBondContact O-N 2.77Å; D99-L102 PolarHBondContact O-N 3.4Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.37Å; L102-Q105 PolarHBondContact O-N 3Å; L102-K106 PolarHBondContact O-N 2.86Å; L102-K106 VanDerWaalsContact O-N 3.12Å; L102-I142 HydrophobicContact CD2-CG2 4.06Å
103	A	98.7	Very high	98.4	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-38.6	172.6	0	0	0	0	0	111.6	V51 F82 D99 S100 A101 K106 Y107	V51-A103 HydrophobicContact CG2-CB 3.9Å; F82-A103 HydrophobicContact CE1-CB 4.49Å; F82-A103 HydrophobicContact CE2-CB 3.52Å; F82-A103 HydrophobicContact CZ-CB 3.43Å; F82-A103 VanDerWaalsContact CZ-CB 3.43Å; D99-A103 WeakPolarHBondContact O-CB 3.35Å; D99-A103 PolarHBondContact O-N 3.39Å; S100-A103 PolarHBondContact O-N 2.78Å; A101-A103 VanDerWaalsContact C-N 3.31Å; A101-A103 PolarHBondContact O-N 2.99Å; A103-K106 WeakPolarHBondContact O-CB 3.09Å; A103-K106 PolarHBondContact O-N 2.92Å; A103-Y107 HydrophobicContact CB-CD2 4.26Å; A103-Y107 HydrophobicContact CB-CE2 4.38Å; A103-Y107 WeakPolarHBondContact O-CD2 3.42Å; A103-Y107 PolarHBondContact O-N 2.95Å
104	T	98.6	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-42	175.8	-55.6	0	0	0	0	111.8	M53 S100 A101 L102 K106 Y107 S108 A110 L143 T341	M53-T104 WeakPolarHBondContact CE-OG1 3.36Å; S100-T104 PolarHBondContact O-N 3.29Å; S100-T104 PolarHBondContact O-OG1 3.36Å; A101-T104 WeakPolarHBondContact O-CB 2.94Å; A101-T104 PolarHBondContact O-N 2.65Å; A101-T104 VanDerWaalsContact O-N 3.09Å; L102-T104 VanDerWaalsContact C-N 3.3Å; L102-T104 PolarHBondContact O-N 3.37Å; T104-K106 VanDerWaalsContact C-N 3.25Å; T104-K106 PolarHBondContact O-N 2.98Å; T104-Y107 PolarHBondContact O-N 3.27Å; T104-S108 WeakPolarHBondContact O-CA 3.15Å; T104-S108 PolarHBondContact O-N 3.37Å; T104-A110 HydrophobicContact CG2-CB 3.62Å; T104-A110 WeakPolarHBondContact OG1-CB 3.32Å; T104-L143 HydrophobicContact CG2-CD1 3.79Å; T104-L143 HydrophobicContact CG2-CD2 4.15Å; T104-T341 HydrophobicContact CG2-CG2 4.09Å
105	Q	96.7	Very high	98.4	Very high	88 Å²	88	30.7 Å²	30.7	41%	0.411	15%	0.15	S	C	.	.	H	α-helix	trans	-58	-41.8	172.6	-63.9	-177.9	-51.8	0	0	111.3	A101 L102 I142 L143	A101-Q105 PolarHBondContact O-N 3.23Å; L102-Q105 PolarHBondContact O-N 3Å; Q105-I142 PolarHBondContact NE2-O 3.22Å; Q105-L143 HydrophobicContact CB-CD2 4.45Å; Q105-L143 HydrophobicContact CG-CD2 3.31Å
106	K	98.4	Very high	98.3	Very high	150 Å²	150	26.8 Å²	26.8	65%	0.652	13%	0.132	S	C	*	.	H	α-helix	trans	-68.4	-43.4	-179.5	-178.9	173.9	179.6	171.5	0	113.5	L102 A103 T104	L102-K106 PolarHBondContact O-N 2.86Å; L102-K106 VanDerWaalsContact O-N 3.12Å; A103-K106 WeakPolarHBondContact O-CB 3.09Å; A103-K106 PolarHBondContact O-N 2.92Å; T104-K106 VanDerWaalsContact C-N 3.25Å; T104-K106 PolarHBondContact O-N 2.98Å
107	Y	98.5	Very high	98.1	Very high	57 Å²	57	29.4 Å²	29.4	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-103.2	-3	-172.6	-58.6	-61.3	0	0	0	114.1	P49 V51 K80 A103 T104 V109 R382	P49-Y107 HydrophobicContact CG-CD1 3.26Å; P49-Y107 HydrophobicContact CG-CD2 4.43Å; P49-Y107 HydrophobicContact CG-CE1 3.64Å; P49-Y107 HydrophobicContact CG-CG 3.71Å; V51-Y107 HydrophobicContact CG2-CD2 3.94Å; K80-Y107 HydrophobicContact CB-CE2 4.48Å; K80-Y107 HydrophobicContact CD-CE2 4.29Å; K80-Y107 HydrophobicContact CG-CD2 3.96Å; K80-Y107 HydrophobicContact CG-CE2 3.72Å; A103-Y107 HydrophobicContact CB-CD2 4.26Å; A103-Y107 HydrophobicContact CB-CE2 4.38Å; A103-Y107 WeakPolarHBondContact O-CD2 3.42Å; A103-Y107 PolarHBondContact O-N 2.95Å; T104-Y107 PolarHBondContact O-N 3.27Å; Y107-V109 PolarHBondContact O-N 3Å; Y107-R382 PolarHBondContact O-NH1 3.27Å
108	S	98.1	Very high	98	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	15%	0.15	C	C	.	.	S	Bend	trans	67	-9.9	174.7	-50.9	0	0	0	0	116.6	T104 K340 T341 I342	T104-S108 WeakPolarHBondContact O-CA 3.15Å; T104-S108 PolarHBondContact O-N 3.37Å; S108-K340 WeakPolarHBondContact OG-CE 3.32Å; S108-T341 CarbonylContact O-C 3.54Å; S108-T341 VanDerWaalsContact O-CA 3.29Å; S108-T341 WeakPolarHBondContact O-CA 3.4Å; S108-I342 PolarHBondContact O-N 2.98Å
109	V	98.5	Very high	97.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.4	-175.9	-169.6	0	0	0	0	110.2	V50 V51 Y107 I342 G378 R382 L385	V50-V109 HydrophobicContact CG1-CG1 4.19Å; V50-V109 HydrophobicContact CG2-CB 4.19Å; V50-V109 HydrophobicContact CG2-CG1 4.07Å; V51-V109 WeakPolarHBondContact CB-O 3.47Å; V51-V109 PolarHBondContact N-O 3.49Å; Y107-V109 PolarHBondContact O-N 3Å; V109-I342 HydrophobicContact CG1-CG1 4.29Å; V109-G378 VanDerWaalsContact CG1-O 3.3Å; V109-G378 WeakPolarHBondContact CG1-O 3.3Å; V109-R382 HydrophobicContact CG2-CB 4.29Å; V109-L385 HydrophobicContact CG2-CD1 4.07Å
110	A	98.8	Very high	97.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.7	166.8	0	0	0	0	0	112.5	V51 M53 T104 I342 E343 A344	V51-A110 HydrophobicContact CB-CB 4.01Å; V51-A110 HydrophobicContact CG1-CB 4.27Å; V51-A110 CarbonylContact O-C 3.6Å; V51-A110 VanDerWaalsContact O-CA 3.28Å; V51-A110 WeakPolarHBondContact O-CA 3.38Å; M53-A110 HydrophobicContact CE-CB 3.88Å; M53-A110 HydrophobicContact SD-CB 4.44Å; T104-A110 HydrophobicContact CG2-CB 3.62Å; T104-A110 WeakPolarHBondContact OG1-CB 3.32Å; A110-I342 PolarHBondContact N-O 3.49Å; A110-E343 HydrophobicContact CB-CB 4.07Å; A110-E343 HydrophobicContact CB-CG 3.94Å; A110-E343 WeakPolarHBondContact O-CA 3.41Å; A110-A344 PolarHBondContact O-N 2.99Å
111	V	98.7	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	165.6	-63.8	0	0	0	0	107.9	V50 V51 E52 M53 W63 A344 A374 W375	V50-V111 HydrophobicContact CG1-CG1 4.13Å; V50-V111 HydrophobicContact CG1-CG2 3.97Å; V51-V111 PolarHBondContact O-N 3.37Å; E52-V111 HydrophobicContact CB-CG2 4.39Å; E52-V111 HydrophobicContact CG-CG2 4.42Å; M53-V111 PolarHBondContact N-O 2.95Å; W63-V111 HydrophobicContact CH2-CB 3.99Å; W63-V111 HydrophobicContact CH2-CG2 4.31Å; W63-V111 HydrophobicContact CZ2-CB 4.09Å; W63-V111 HydrophobicContact CZ2-CG2 3.91Å; V111-A344 WeakPolarHBondContact CA-O 3.41Å; V111-A374 WeakPolarHBondContact CG1-O 3.3Å; V111-W375 HydrophobicContact CG2-CD2 4.15Å; V111-W375 HydrophobicContact CG2-CE3 4.01Å; V111-W375 HydrophobicContact CG2-CH2 4.07Å; V111-W375 HydrophobicContact CG2-CZ2 4.2Å; V111-W375 HydrophobicContact CG2-CZ3 3.98Å
112	K	98.7	Very high	97.3	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.2	-169.2	179.2	176.6	179.6	-62.6	0	112.5	M53 T115 N136 I139 E343 A344 E345	M53-K112 HydrophobicContact CB-CB 3.98Å; M53-K112 HydrophobicContact CB-CG 3.85Å; M53-K112 HydrophobicContact SD-CB 4.08Å; M53-K112 HydrophobicContact SD-CD 3.88Å; M53-K112 HydrophobicContact SD-CG 4.09Å; K112-T115 PolarHBondContact NZ-OG1 3.48Å; K112-N136 WeakPolarHBondContact CE-OD1 3.32Å; K112-N136 PolarHBondContact NZ-OD1 3.03Å; K112-I139 HydrophobicContact CD-CD1 3.99Å; K112-E343 HydrophobicContact CB-CG 4.41Å; K112-E343 WeakPolarHBondContact CB-OE1 3.29Å; K112-A344 PolarHBondContact N-O 3.07Å; K112-E345 HydrophobicContact CB-CB 4.24Å; K112-E345 IonicContact NZ-OE2 2.7Å
113	C	98.5	Very high	97.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.186	C	C	.	.			trans	-79.7	154.1	169	-172.3	0	0	0	0	110.7	M53 T59 W63	M53-C113 WeakPolarHBondContact O-CB 3.4Å; M53-C113 PolarHBondContact O-N 3.15Å; T59-C113 VanDerWaalsContact C-SG 3.51Å; W63-C113 HydrophobicContact CB-CB 4.39Å; W63-C113 HydrophobicContact CD2-CB 3.68Å; W63-C113 HydrophobicContact CE3-CB 3.94Å; W63-C113 HydrophobicContact CG-CB 3.91Å; W63-C113 HydrophobicContact CZ2-CB 4.46Å; W63-C113 HydrophobicContact CZ3-CB 4.43Å
114	A	97.2	Very high	97.2	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	21%	0.214	C	C	.	.			trans	-66.9	141.1	177.2	0	0	0	0	0	110.9	G55 D56 T59 T350	G55-A114 VanDerWaalsContact CA-O 3.31Å; G55-A114 WeakPolarHBondContact CA-O 3.31Å; D56-A114 PolarHBondContact N-O 2.77Å; T59-A114 HydrophobicContact CG2-CB 3.96Å; A114-T350 HydrophobicContact CB-CG2 4.05Å
115	T	98.3	Very high	97.1	Very high	12 Å²	12	45.6 Å²	45.6	7%	0.074	23%	0.232	C	C	.	.			trans	-125	143.2	-173	48.7	0	0	0	0	110.4	D56 L84 K112 T117 P135 T350	D56-T115 WeakPolarHBondContact OD2-CA 3.3Å; L84-T115 HydrophobicContact CB-CG2 3.79Å; K112-T115 PolarHBondContact NZ-OG1 3.48Å; T115-T117 PolarHBondContact O-N 3.07Å; T115-P135 HydrophobicContact CG2-CG 4.42Å; T115-T350 VanDerWaalsContact C-CG2 3.46Å
116	I	97.7	Very high	97.2	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	23%	0.226	C	C	.	.			trans	-65.5	130.6	173	-65.2	167.8	0	0	0	108.9	D56 E57 L86 R89 R122 F126 T350	D56-I116 HydrophobicContact CB-CD1 3.91Å; D56-I116 HydrophobicContact CB-CG1 3.73Å; D56-I116 PolarHBondContact OD2-N 3.4Å; E57-I116 HydrophobicContact CG-CD1 3.9Å; E57-I116 HydrophobicContact CG-CG1 4.32Å; L86-I116 HydrophobicContact CB-CB 4.44Å; L86-I116 HydrophobicContact CB-CD1 4.43Å; L86-I116 HydrophobicContact CD2-CB 4.14Å; L86-I116 HydrophobicContact CD2-CD1 4Å; L86-I116 HydrophobicContact CD2-CG2 3.87Å; R89-I116 PolarHBondContact NH2-O 3.45Å; I116-R122 HydrophobicContact CG2-CB 4.45Å; I116-R122 HydrophobicContact CG2-CG 3.84Å; I116-F126 HydrophobicContact CD1-CE2 3.9Å; I116-F126 HydrophobicContact CD1-CZ 3.78Å; I116-T350 HydrophobicContact CG1-CG2 4.1Å
117	T	94.6	Very high	97.2	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.423	23%	0.229	S	C	.	.			trans	-95.6	113.5	159.9	-61.1	0	0	0	0	106.6	T115 S134	T115-T117 PolarHBondContact O-N 3.07Å; T117-S134 WeakPolarHBondContact OG1-CB 3.24Å; T117-S134 PolarHBondContact OG1-OG 3Å
118	P	94.8	Very high	97.1	Very high	7 Å²	7	43.3 Å²	43.3	5%	0.045	22%	0.222	C	C	.	.			trans	-70.7	136.7	-171.3	28.5	-34.4	0	0	0	111.7	L86 R122 L128 M131 W132	L86-P118 HydrophobicContact CD1-CB 4.38Å; L86-P118 HydrophobicContact CD1-CG 4.28Å; P118-R122 HydrophobicContact CB-CB 3.82Å; P118-L128 HydrophobicContact CB-CD1 3.49Å; P118-L128 VanDerWaalsContact CB-CD1 3.49Å; P118-L128 HydrophobicContact CG-CD1 4.06Å; P118-M131 HydrophobicContact CG-CG 4.44Å; P118-M131 WeakPolarHBondContact O-CG 3.44Å; P118-W132 WeakPolarHBondContact CD-O 3.36Å; P118-W132 HydrophobicContact CG-CB 4.1Å; P118-W132 WeakPolarHBondContact CG-O 3.23Å
119	D	92.2	Very high	97.1	Very high	70 Å²	70	48.6 Å²	48.6	37%	0.374	25%	0.245	S	C	.	.			trans	-107.9	-172.5	164.4	60.8	18.4	0	0	0	109.4	A121 R122 V123	D119-A121 VanDerWaalsContact C-N 3.26Å; D119-A121 PolarHBondContact O-N 3.31Å; D119-A121 WeakPolarHBondContact OD1-CA 3.3Å; D119-A121 WeakPolarHBondContact OD1-CB 3.37Å; D119-A121 PolarHBondContact OD1-N 2.88Å; D119-R122 PolarHBondContact O-N 3.23Å; D119-R122 VanDerWaalsContact O-N 3.17Å; D119-R122 WeakPolarHBondContact OD1-CG 3.47Å; D119-R122 PolarHBondContact OD1-N 2.91Å; D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.45Å
120	E	95.5	Very high	96.9	Very high	140 Å²	140	54.1 Å²	54.1	65%	0.654	27%	0.269	S	S	*	.	H	α-helix	trans	-56.5	-40.3	178.4	-64.3	80.6	-179.2	0	0	112.1	V123 E124 M131	E120-V123 PolarHBondContact O-N 3.13Å; E120-E124 PolarHBondContact O-N 2.81Å; E120-M131 HydrophobicContact CB-CE 4.46Å; E120-M131 HydrophobicContact CG-CE 3.78Å
121	A	96.6	Very high	96.7	Very high	65 Å²	65	58.5 Å²	58.5	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-68.7	-36.9	179.8	0	0	0	0	0	111.8	D119 E124 E125	D119-A121 VanDerWaalsContact C-N 3.26Å; D119-A121 PolarHBondContact O-N 3.31Å; D119-A121 WeakPolarHBondContact OD1-CA 3.3Å; D119-A121 WeakPolarHBondContact OD1-CB 3.37Å; D119-A121 PolarHBondContact OD1-N 2.88Å; A121-E124 PolarHBondContact O-N 3.01Å; A121-E125 VanDerWaalsContact O-CB 3.31Å; A121-E125 WeakPolarHBondContact O-CB 3.12Å; A121-E125 PolarHBondContact O-N 2.82Å
122	R	96.5	Very high	96.6	Very high	23 Å²	23	59.5 Å²	59.5	9%	0.087	29%	0.294	C	S	.	.	H	α-helix	trans	-70.7	-33.5	175.2	-63.1	-55.2	-167.9	154.9	14.4	112.5	E57 I116 P118 D119 E124 E125 F126 T352	E57-R122 IonicContact OE1-CZ 3.71Å; E57-R122 VanDerWaalsContact OE1-CZ 3.22Å; E57-R122 IonicContact OE1-NH1 3.78Å; E57-R122 PolarHBondContact OE1-NH1 2.92Å; E57-R122 IonicContact OE1-NH2 3.48Å; E57-R122 PolarHBondContact OE1-NH2 2.9Å; E57-R122 IonicContact OE2-NH2 2.95Å; E57-R122 PolarHBondContact OE2-NH2 3.28Å; I116-R122 HydrophobicContact CG2-CB 4.45Å; I116-R122 HydrophobicContact CG2-CG 3.84Å; P118-R122 HydrophobicContact CB-CB 3.82Å; D119-R122 PolarHBondContact O-N 3.23Å; D119-R122 VanDerWaalsContact O-N 3.17Å; D119-R122 WeakPolarHBondContact OD1-CG 3.47Å; D119-R122 PolarHBondContact OD1-N 2.91Å; R122-E124 VanDerWaalsContact C-N 3.32Å; R122-E125 VanDerWaalsContact CD-OE2 3.28Å; R122-E125 WeakPolarHBondContact CD-OE2 3.38Å; R122-E125 IonicContact CZ-OE2 3.77Å; R122-E125 IonicContact NE-OE2 2.77Å; R122-E125 IonicContact NH1-OE1 3.56Å; R122-E125 IonicContact NH1-OE2 3.73Å; R122-E125 PolarHBondContact NH1-OE2 3.45Å; R122-E125 PolarHBondContact O-N 3.47Å; R122-F126 WeakPolarHBondContact O-CB 3.16Å; R122-F126 PolarHBondContact O-N 2.85Å; R122-T352 VanDerWaalsContact NH2-CG2 3.32Å; R122-T352 PolarHBondContact NH2-OG1 2.97Å; R122-T352 VanDerWaalsContact NH2-OG1 3.09Å
123	V	96.3	Very high	96.2	Very high	33 Å²	33	67.3 Å²	67.3	20%	0.2	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-47.3	172.2	171.7	0	0	0	0	110	D119 E120 K127 L128 M131	D119-V123 WeakPolarHBondContact O-CG2 3.39Å; D119-V123 PolarHBondContact O-N 3.45Å; E120-V123 PolarHBondContact O-N 3.13Å; V123-K127 VanDerWaalsContact O-CA 3.22Å; V123-K127 WeakPolarHBondContact O-CA 3.4Å; V123-K127 PolarHBondContact O-N 3.36Å; V123-L128 HydrophobicContact CG1-CB 4.39Å; V123-L128 HydrophobicContact CG2-CB 4.39Å; V123-L128 HydrophobicContact CG2-CD1 4.08Å; V123-L128 PolarHBondContact O-N 3.29Å; V123-M131 HydrophobicContact CG2-CB 3.86Å; V123-M131 HydrophobicContact CG2-CE 4.49Å; V123-M131 HydrophobicContact CG2-CG 4.2Å
124	E	97.5	Very high	95.9	Very high	139 Å²	139	69 Å²	69	65%	0.65	34%	0.34	S	S	*	.	H	α-helix	trans	-67.8	-45.1	176.3	-70.3	-59.1	149.2	0	0	113	E120 A121 R122 F126	E120-E124 PolarHBondContact O-N 2.81Å; A121-E124 PolarHBondContact O-N 3.01Å; R122-E124 VanDerWaalsContact C-N 3.32Å; E124-F126 PolarHBondContact O-N 3.22Å
125	E	97.7	Very high	95.8	Very high	82 Å²	82	68.5 Å²	68.5	38%	0.383	34%	0.336	S	S	.	.	H	α-helix	trans	-59.1	-45.4	-178.8	-178.7	-175.5	-178.5	0	0	111.9	A121 R122 R356	A121-E125 VanDerWaalsContact O-CB 3.31Å; A121-E125 WeakPolarHBondContact O-CB 3.12Å; A121-E125 PolarHBondContact O-N 2.82Å; R122-E125 VanDerWaalsContact CD-OE2 3.28Å; R122-E125 WeakPolarHBondContact CD-OE2 3.38Å; R122-E125 IonicContact CZ-OE2 3.77Å; R122-E125 IonicContact NE-OE2 2.77Å; R122-E125 IonicContact NH1-OE1 3.56Å; R122-E125 IonicContact NH1-OE2 3.73Å; R122-E125 PolarHBondContact NH1-OE2 3.45Å; R122-E125 PolarHBondContact O-N 3.47Å; E125-R356 IonicContact OE1-CZ 3.71Å; E125-R356 IonicContact OE1-NH1 3.33Å; E125-R356 PolarHBondContact OE1-NH1 3.33Å; E125-R356 IonicContact OE1-NH2 2.85Å; E125-R356 PolarHBondContact OE1-NH2 3.19Å; E125-R356 IonicContact OE2-NH2 2.82Å; E125-R356 PolarHBondContact OE2-NH2 2.74Å
126	F	97.6	Very high	95.5	Very high	64 Å²	64	69.5 Å²	69.5	28%	0.281	34%	0.341	S	S	.	.	H	α-helix	trans	-100.5	-1	-174.6	-73.7	-97.8	0	0	0	113.8	L86 P87 I116 R122 E124 L128	L86-F126 HydrophobicContact CD2-CB 4.12Å; L86-F126 HydrophobicContact CD2-CD1 3.94Å; L86-F126 HydrophobicContact CD2-CD2 3.5Å; L86-F126 HydrophobicContact CD2-CE1 4.2Å; L86-F126 HydrophobicContact CD2-CE2 3.8Å; L86-F126 HydrophobicContact CD2-CG 3.58Å; L86-F126 HydrophobicContact CD2-CZ 4.14Å; L86-F126 HydrophobicContact CG-CD1 4.29Å; L86-F126 HydrophobicContact CG-CG 4.27Å; P87-F126 HydrophobicContact CG-CD1 4.18Å; P87-F126 HydrophobicContact CG-CE1 4.19Å; I116-F126 HydrophobicContact CD1-CE2 3.9Å; I116-F126 HydrophobicContact CD1-CZ 3.78Å; R122-F126 WeakPolarHBondContact O-CB 3.16Å; R122-F126 PolarHBondContact O-N 2.85Å; E124-F126 PolarHBondContact O-N 3.22Å; F126-L128 VanDerWaalsContact C-N 3.33Å; F126-L128 HydrophobicContact CB-CD2 3.49Å; F126-L128 VanDerWaalsContact CB-CD2 3.49Å; F126-L128 HydrophobicContact CB-CG 3.86Å; F126-L128 PolarHBondContact O-N 3.2Å
127	K	98	Very high	95	Very high	168 Å²	168	70.7 Å²	70.7	73%	0.73	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	49.2	-174.6	-54.5	-151.1	-176.7	-55.8	0	112.8	V123	V123-K127 VanDerWaalsContact O-CA 3.22Å; V123-K127 WeakPolarHBondContact O-CA 3.4Å; V123-K127 PolarHBondContact O-N 3.36Å
128	L	97.8	Very high	94.8	Very high	15 Å²	15	68.5 Å²	68.5	8%	0.079	34%	0.341	C	S	.	.			trans	-68.7	145.7	-175	-54.9	179.2	0	0	0	111.5	L86 D90 P118 V123 F126 K130	L86-L128 HydrophobicContact CD1-CD1 3.9Å; L86-L128 HydrophobicContact CD1-CD2 3.89Å; L86-L128 HydrophobicContact CD2-CD1 4.24Å; L86-L128 HydrophobicContact CD2-CD2 4.28Å; L86-L128 HydrophobicContact CG-CD1 4.43Å; L86-L128 HydrophobicContact CG-CD2 3.93Å; D90-L128 HydrophobicContact CB-CD2 3.82Å; D90-L128 WeakPolarHBondContact OD1-CA 3.41Å; P118-L128 HydrophobicContact CB-CD1 3.49Å; P118-L128 VanDerWaalsContact CB-CD1 3.49Å; P118-L128 HydrophobicContact CG-CD1 4.06Å; V123-L128 HydrophobicContact CG1-CB 4.39Å; V123-L128 HydrophobicContact CG2-CB 4.39Å; V123-L128 HydrophobicContact CG2-CD1 4.08Å; V123-L128 PolarHBondContact O-N 3.29Å; F126-L128 VanDerWaalsContact C-N 3.33Å; F126-L128 HydrophobicContact CB-CD2 3.49Å; F126-L128 VanDerWaalsContact CB-CD2 3.49Å; F126-L128 HydrophobicContact CB-CG 3.86Å; F126-L128 PolarHBondContact O-N 3.2Å; L128-K130 WeakPolarHBondContact CB-O 3.3Å; L128-K130 PolarHBondContact O-N 3.32Å
129	K	97.8	Very high	94.8	Very high	116 Å²	116	68.2 Å²	68.2	50%	0.504	34%	0.339	S	S	.	.	S	Bend	trans	-61.5	-34.2	172	-64.1	166.9	-177.3	167	0	111.8	D90 Q91 D93 W132	D90-K129 WeakPolarHBondContact O-CE 3.26Å; D90-K129 PolarHBondContact O-NZ 2.82Å; D90-K129 PolarHBondContact OD1-N 2.61Å; Q91-K129 PolarHBondContact O-NZ 3.36Å; D93-K129 VanDerWaalsContact OD1-CD 3.25Å; D93-K129 WeakPolarHBondContact OD1-CD 3.26Å; D93-K129 IonicContact OD1-NZ 2.91Å; D93-K129 PolarHBondContact OD1-NZ 2.92Å; D93-K129 IonicContact OD2-NZ 3.52Å; K129-W132 HydrophobicContact CB-CZ2 4.1Å; K129-W132 HydrophobicContact CD-CZ2 4.21Å
130	K	94.9	Very high	94.7	Very high	115 Å²	115	66 Å²	66	50%	0.5	33%	0.325	S	S	.	.	S	Bend	trans	-159.4	168.4	174.7	69.5	-169.5	77.2	165.4	0	111	L128 W132	L128-K130 WeakPolarHBondContact CB-O 3.3Å; L128-K130 PolarHBondContact O-N 3.32Å; K130-W132 HydrophobicContact CD-CD2 4.21Å; K130-W132 HydrophobicContact CD-CE3 3.69Å; K130-W132 HydrophobicContact CD-CH2 3.6Å; K130-W132 HydrophobicContact CD-CZ2 4.11Å; K130-W132 HydrophobicContact CD-CZ3 3.38Å; K130-W132 HydrophobicContact CG-CD2 3.63Å; K130-W132 HydrophobicContact CG-CE3 3.65Å; K130-W132 HydrophobicContact CG-CG 4.36Å; K130-W132 HydrophobicContact CG-CH2 3.77Å; K130-W132 HydrophobicContact CG-CZ2 3.73Å; K130-W132 HydrophobicContact CG-CZ3 3.75Å; K130-W132 PolarHBondContact O-N 2.91Å; K130-W132 PolarHBondContact O-NE1 3.22Å
131	M	94.2	Very high	94.2	Very high	93 Å²	93	63.3 Å²	63.3	46%	0.458	32%	0.315	S	S	.	.			trans	-74.6	90	170.2	-165.8	-173.9	-62.7	0	0	109.8	P118 E120 V123	P118-M131 HydrophobicContact CG-CG 4.44Å; P118-M131 WeakPolarHBondContact O-CG 3.44Å; E120-M131 HydrophobicContact CB-CE 4.46Å; E120-M131 HydrophobicContact CG-CE 3.78Å; V123-M131 HydrophobicContact CG2-CB 3.86Å; V123-M131 HydrophobicContact CG2-CE 4.49Å; V123-M131 HydrophobicContact CG2-CG 4.2Å
132	W	96.2	Very high	94	Very high	20 Å²	20	62.5 Å²	62.5	8%	0.076	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.2	149	-179.6	-57.2	107.4	0	0	0	112.6	D90 D93 D94 P118 K129 K130	D90-W132 PolarHBondContact OD1-NE1 2.89Å; D93-W132 HydrophobicContact CB-CH2 3.69Å; D93-W132 HydrophobicContact CB-CZ2 4.44Å; D93-W132 HydrophobicContact CB-CZ3 4.29Å; D93-W132 WeakPolarHBondContact O-CZ3 3.49Å; D93-W132 WeakPolarHBondContact OD1-CH2 3.48Å; D94-W132 HydrophobicContact CB-CD2 4.1Å; D94-W132 HydrophobicContact CB-CE3 3.61Å; D94-W132 HydrophobicContact CB-CZ3 4.08Å; P118-W132 WeakPolarHBondContact CD-O 3.36Å; P118-W132 HydrophobicContact CG-CB 4.1Å; P118-W132 WeakPolarHBondContact CG-O 3.23Å; K129-W132 HydrophobicContact CB-CZ2 4.1Å; K129-W132 HydrophobicContact CD-CZ2 4.21Å; K130-W132 HydrophobicContact CD-CD2 4.21Å; K130-W132 HydrophobicContact CD-CE3 3.69Å; K130-W132 HydrophobicContact CD-CH2 3.6Å; K130-W132 HydrophobicContact CD-CZ2 4.11Å; K130-W132 HydrophobicContact CD-CZ3 3.38Å; K130-W132 HydrophobicContact CG-CD2 3.63Å; K130-W132 HydrophobicContact CG-CE3 3.65Å; K130-W132 HydrophobicContact CG-CG 4.36Å; K130-W132 HydrophobicContact CG-CH2 3.77Å; K130-W132 HydrophobicContact CG-CZ2 3.73Å; K130-W132 HydrophobicContact CG-CZ3 3.75Å; K130-W132 PolarHBondContact O-N 2.91Å; K130-W132 PolarHBondContact O-NE1 3.22Å
133	K	90.6	Very high	93.7	Very high	166 Å²	166	62.2 Å²	62.2	72%	0.722	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-66.5	163.2	177.9	-67.3	-175	179.7	-179.5	0	111.3	P135	K133-P135 WeakPolarHBondContact O-CD 3.02Å
134	S	92	Very high	93.1	Very high	35 Å²	35	62 Å²	62	25%	0.245	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-62.4	126.1	175.3	-174.3	0	0	0	0	111.2	T117 N136 G137 T138	T117-S134 WeakPolarHBondContact OG1-CB 3.24Å; T117-S134 PolarHBondContact OG1-OG 3Å; S134-N136 VanDerWaalsContact C-N 3.25Å; S134-N136 PolarHBondContact O-N 3.21Å; S134-G137 PolarHBondContact O-N 3.05Å; S134-G137 VanDerWaalsContact O-N 3.09Å; S134-T138 PolarHBondContact O-N 3.45Å; S134-T138 PolarHBondContact O-OG1 3.24Å
135	P	95.6	Very high	92.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.8	-39.7	175.8	-28.9	37.7	0	0	0	112.9	R89 T97 T115 K133 G137 T138 I139	R89-P135 VanDerWaalsContact CZ-CG 3.47Å; T97-P135 HydrophobicContact CG2-CB 3.92Å; T115-P135 HydrophobicContact CG2-CG 4.42Å; K133-P135 WeakPolarHBondContact O-CD 3.02Å; P135-G137 VanDerWaalsContact C-N 3.33Å; P135-G137 PolarHBondContact O-N 3.41Å; P135-T138 PolarHBondContact O-N 2.8Å; P135-I139 WeakPolarHBondContact O-CB 3.33Å; P135-I139 WeakPolarHBondContact O-CD1 3.27Å; P135-I139 VanDerWaalsContact O-CG1 3.29Å; P135-I139 WeakPolarHBondContact O-CG1 3.08Å; P135-I139 PolarHBondContact O-N 3.21Å
136	N	90.8	Very high	92.3	Very high	34 Å²	34	52.4 Å²	52.4	18%	0.182	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-45.5	177	-63.3	-25.1	0	0	0	111.2	K112 S134 R140 E345	K112-N136 WeakPolarHBondContact CE-OD1 3.32Å; K112-N136 PolarHBondContact NZ-OD1 3.03Å; S134-N136 VanDerWaalsContact C-N 3.25Å; S134-N136 PolarHBondContact O-N 3.21Å; N136-R140 VanDerWaalsContact O-CB 3.24Å; N136-R140 WeakPolarHBondContact O-CB 3.46Å; N136-R140 VanDerWaalsContact O-CD 3.32Å; N136-R140 WeakPolarHBondContact O-CD 3.38Å; N136-R140 WeakPolarHBondContact O-CG 3.47Å; N136-R140 PolarHBondContact O-N 2.8Å; N136-E345 PolarHBondContact OD1-OE2 3.2Å
137	G	87.5	Confident	92.1	Very high	30 Å²	30	49.3 Å²	49.3	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-62.1	-45.4	177	0	0	0	0	0	112	S134 P135 N141	S134-G137 PolarHBondContact O-N 3.05Å; S134-G137 VanDerWaalsContact O-N 3.09Å; P135-G137 VanDerWaalsContact C-N 3.33Å; P135-G137 PolarHBondContact O-N 3.41Å; G137-N141 VanDerWaalsContact O-CB 3.32Å; G137-N141 WeakPolarHBondContact O-CB 3.27Å; G137-N141 PolarHBondContact O-N 3.31Å; G137-N141 PolarHBondContact O-ND2 3.39Å
138	T	91.4	Very high	92	Very high	23 Å²	23	41.5 Å²	41.5	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-50.3	178	-59.8	0	0	0	0	111.9	T97 I98 S134 P135 N141 I142	T97-T138 HydrophobicContact CG2-CG2 3.78Å; I98-T138 HydrophobicContact CG1-CG2 3.99Å; S134-T138 PolarHBondContact O-N 3.45Å; S134-T138 PolarHBondContact O-OG1 3.24Å; P135-T138 PolarHBondContact O-N 2.8Å; T138-N141 PolarHBondContact O-N 3.42Å; T138-I142 HydrophobicContact CG2-CD1 4.12Å; T138-I142 WeakPolarHBondContact O-CG1 3.38Å; T138-I142 PolarHBondContact O-N 3.27Å
139	I	94.1	Very high	91.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-48.8	-179.6	-67.2	159.8	0	0	0	110.7	M53 L84 T97 A101 K112 P135 N141 I142 L143	M53-I139 HydrophobicContact CE-CD1 4.14Å; M53-I139 HydrophobicContact CE-CG2 4.5Å; M53-I139 HydrophobicContact SD-CD1 3.62Å; L84-I139 HydrophobicContact CD1-CD1 3.94Å; T97-I139 HydrophobicContact CG2-CD1 4.49Å; T97-I139 HydrophobicContact CG2-CG1 4.21Å; A101-I139 HydrophobicContact CB-CB 4.34Å; A101-I139 HydrophobicContact CB-CG1 4.11Å; A101-I139 HydrophobicContact CB-CG2 4.27Å; K112-I139 HydrophobicContact CD-CD1 3.99Å; P135-I139 WeakPolarHBondContact O-CB 3.33Å; P135-I139 WeakPolarHBondContact O-CD1 3.27Å; P135-I139 VanDerWaalsContact O-CG1 3.29Å; P135-I139 WeakPolarHBondContact O-CG1 3.08Å; P135-I139 PolarHBondContact O-N 3.21Å; I139-N141 VanDerWaalsContact C-N 3.28Å; I139-N141 PolarHBondContact O-N 3.28Å; I139-I142 PolarHBondContact O-N 3.28Å; I139-I142 VanDerWaalsContact O-N 3.09Å; I139-L143 HydrophobicContact CG2-CD1 3.61Å; I139-L143 HydrophobicContact CG2-CG 4.07Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.18Å
140	R	89.3	Confident	91.5	Very high	23 Å²	23	37 Å²	37	9%	0.087	20%	0.199	C	C	.	.	H	α-helix	trans	-62.3	-34.9	179.9	-68.5	168.6	-173.5	-179.3	1.2	112.3	N136 I142 G144 L334 E345	N136-R140 VanDerWaalsContact O-CB 3.24Å; N136-R140 WeakPolarHBondContact O-CB 3.46Å; N136-R140 VanDerWaalsContact O-CD 3.32Å; N136-R140 WeakPolarHBondContact O-CD 3.38Å; N136-R140 WeakPolarHBondContact O-CG 3.47Å; N136-R140 PolarHBondContact O-N 2.8Å; R140-I142 VanDerWaalsContact C-N 3.35Å; R140-G144 WeakPolarHBondContact O-CA 3.24Å; R140-G144 PolarHBondContact O-N 3.19Å; R140-L334 HydrophobicContact CG-CD1 4.29Å; R140-L334 HydrophobicContact CG-CD2 4.09Å; R140-E345 IonicContact CZ-OE1 2.8Å; R140-E345 IonicContact NH2-OE1 3.68Å; R140-E345 PolarHBondContact NH2-OE1 3.28Å
141	N	86.8	Confident	91.5	Very high	84 Å²	84	31.9 Å²	31.9	45%	0.449	18%	0.177	S	C	.	.	H	α-helix	trans	-66.2	-35.3	174.8	-77.3	-34.1	0	0	0	113.2	G137 T138 I139 K180	G137-N141 VanDerWaalsContact O-CB 3.32Å; G137-N141 WeakPolarHBondContact O-CB 3.27Å; G137-N141 PolarHBondContact O-N 3.31Å; G137-N141 PolarHBondContact O-ND2 3.39Å; T138-N141 PolarHBondContact O-N 3.42Å; I139-N141 VanDerWaalsContact C-N 3.28Å; I139-N141 PolarHBondContact O-N 3.28Å; N141-K180 WeakPolarHBondContact OD1-CE 3.19Å; N141-K180 PolarHBondContact OD1-NZ 2.95Å
142	I	91.3	Very high	91.5	Very high	48 Å²	48	28 Å²	28	25%	0.246	16%	0.158	C	C	.	.	H	α-helix	trans	-78	-46.1	179.6	-68.5	166.4	0	0	0	110.8	I98 A101 L102 Q105 T138 I139 R140	I98-I142 HydrophobicContact CB-CD1 4.33Å; I98-I142 HydrophobicContact CG1-CD1 4.33Å; I98-I142 HydrophobicContact CG2-CD1 4.02Å; A101-I142 HydrophobicContact CB-CB 3.9Å; A101-I142 HydrophobicContact CB-CD1 3.67Å; A101-I142 HydrophobicContact CB-CG1 4.39Å; A101-I142 HydrophobicContact CB-CG2 3.79Å; L102-I142 HydrophobicContact CD2-CG2 4.06Å; Q105-I142 PolarHBondContact NE2-O 3.22Å; T138-I142 HydrophobicContact CG2-CD1 4.12Å; T138-I142 WeakPolarHBondContact O-CG1 3.38Å; T138-I142 PolarHBondContact O-N 3.27Å; I139-I142 PolarHBondContact O-N 3.28Å; I139-I142 VanDerWaalsContact O-N 3.09Å; R140-I142 VanDerWaalsContact C-N 3.35Å
143	L	90.2	Very high	91.3	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-72.1	-38.5	-177.7	-63.9	-173.4	0	0	0	112.1	A101 T104 Q105 I139 L334 T341 E343	A101-L143 WeakPolarHBondContact O-CD2 3.37Å; T104-L143 HydrophobicContact CG2-CD1 3.79Å; T104-L143 HydrophobicContact CG2-CD2 4.15Å; Q105-L143 HydrophobicContact CB-CD2 4.45Å; Q105-L143 HydrophobicContact CG-CD2 3.31Å; I139-L143 HydrophobicContact CG2-CD1 3.61Å; I139-L143 HydrophobicContact CG2-CG 4.07Å; I139-L143 WeakPolarHBondContact O-CG 3.38Å; I139-L143 PolarHBondContact O-N 3.18Å; L143-L334 HydrophobicContact CB-CD2 3.89Å; L143-L334 HydrophobicContact CD1-CD2 3.68Å; L143-L334 HydrophobicContact CG-CD2 4.36Å; L143-T341 HydrophobicContact CD2-CG2 4.37Å; L143-E343 HydrophobicContact CD1-CB 4.18Å
144	G	83.2	Confident	91.4	Very high	29 Å²	29	21.9 Å²	21.9	30%	0.299	13%	0.134	S	C	.	.			trans	65.9	164.4	-162.9	0	0	0	0	0	111.5	R140 C336	R140-G144 WeakPolarHBondContact O-CA 3.24Å; R140-G144 PolarHBondContact O-N 3.19Å; G144-C336 PolarHBondContact O-SG 2.9Å
145	G	85.4	Confident	91.5	Very high	19 Å²	19	28.2 Å²	28.2	20%	0.196	16%	0.158	C	C	.	.			trans	121	-165.2	174.1	0	0	0	0	0	114.8	V335	G145-V335 VanDerWaalsContact CA-O 3.32Å; G145-V335 WeakPolarHBondContact CA-O 3.47Å
146	T	93.4	Very high	91.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.8	-167.3	-53.4	0	0	0	0	110.2	F148 F231 S234 L334 V335	T146-F148 HydrophobicContact CG2-CD2 4.17Å; T146-F148 HydrophobicContact CG2-CE1 4.21Å; T146-F148 HydrophobicContact CG2-CE2 3.64Å; T146-F148 HydrophobicContact CG2-CZ 3.66Å; T146-F231 HydrophobicContact CG2-CD2 3.56Å; T146-F231 HydrophobicContact CG2-CE2 3.63Å; T146-F231 WeakPolarHBondContact OG1-CD2 3.3Å; T146-S234 WeakPolarHBondContact OG1-CB 3.18Å; T146-S234 PolarHBondContact OG1-OG 2.85Å; T146-L334 CarbonylContact O-C 3.6Å; T146-L334 WeakPolarHBondContact O-CA 3.27Å; T146-V335 PolarHBondContact N-O 3.42Å; T146-V335 PolarHBondContact O-N 3.42Å
147	V	93.2	Very high	91.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	113.1	177.3	-179.6	0	0	0	0	109.1	R149 G171 R172 A174 S332 L334	V147-R149 HydrophobicContact CG1-CG 4.35Å; V147-G171 CarbonylContact O-C 3.57Å; V147-G171 WeakPolarHBondContact O-CA 3.25Å; V147-R172 HydrophobicContact CB-CB 4.39Å; V147-R172 PolarHBondContact N-O 3.44Å; V147-R172 VanDerWaalsContact N-O 3.13Å; V147-R172 PolarHBondContact O-N 2.78Å; V147-A174 HydrophobicContact CG2-CB 3.93Å; V147-S332 VanDerWaalsContact CG1-OG 3.25Å; V147-S332 WeakPolarHBondContact CG1-OG 3.32Å; V147-L334 HydrophobicContact CG2-CB 4.35Å; V147-L334 HydrophobicContact CG2-CD1 3.78Å
148	F	95.8	Very high	92.1	Very high	3 Å²	3	31 Å²	31	1%	0.013	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.7	175	-67.8	-84.9	0	0	0	110.8	T146 T169 I170 Y238 V305 S332 V333 V335	T146-F148 HydrophobicContact CG2-CD2 4.17Å; T146-F148 HydrophobicContact CG2-CE1 4.21Å; T146-F148 HydrophobicContact CG2-CE2 3.64Å; T146-F148 HydrophobicContact CG2-CZ 3.66Å; F148-T169 HydrophobicContact CB-CG2 4.2Å; F148-T169 HydrophobicContact CD1-CG2 4.11Å; F148-I170 CarbonylContact C-O 3.49Å; F148-I170 WeakPolarHBondContact CA-O 3.31Å; F148-Y238 HydrophobicContact CB-CE2 4.42Å; F148-Y238 AromaticContact CD1-CD1 3.78Å; F148-Y238 HydrophobicContact CD1-CD1 3.78Å; F148-Y238 HydrophobicContact CD1-CD2 4.17Å; F148-Y238 HydrophobicContact CD1-CE1 4.1Å; F148-Y238 HydrophobicContact CD1-CE2 4.44Å; F148-Y238 AromaticContact CD1-CG 3.83Å; F148-Y238 HydrophobicContact CD1-CG 3.83Å; F148-Y238 HydrophobicContact CD2-CD2 4.23Å; F148-Y238 AromaticContact CE1-CD1 3.81Å; F148-Y238 HydrophobicContact CE1-CD1 3.81Å; F148-Y238 HydrophobicContact CE1-CD2 4.27Å; F148-Y238 AromaticContact CE1-CG 3.64Å; F148-Y238 HydrophobicContact CE1-CG 3.64Å; F148-Y238 HydrophobicContact CE2-CD2 4.33Å; F148-Y238 HydrophobicContact CE2-CG 4.37Å; F148-Y238 HydrophobicContact CG-CD1 4.49Å; F148-Y238 HydrophobicContact CG-CD2 4.14Å; F148-Y238 HydrophobicContact CG-CE2 4.24Å; F148-Y238 HydrophobicContact CG-CG 4.27Å; F148-Y238 HydrophobicContact CZ-CD2 4.35Å; F148-Y238 AromaticContact CZ-CG 3.94Å; F148-Y238 HydrophobicContact CZ-CG 3.94Å; F148-V305 HydrophobicContact CE1-CG1 4.24Å; F148-S332 CarbonylContact O-C 3.51Å; F148-S332 WeakPolarHBondContact O-CA 3.46Å; F148-V333 PolarHBondContact N-O 2.96Å; F148-V333 PolarHBondContact O-N 3.4Å; F148-V335 HydrophobicContact CD2-CB 4.03Å; F148-V335 HydrophobicContact CD2-CG2 3.75Å; F148-V335 HydrophobicContact CE2-CB 3.97Å; F148-V335 HydrophobicContact CE2-CG2 4.14Å
149	R	94.1	Very high	92.2	Very high	20 Å²	20	32.9 Å²	32.9	8%	0.075	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.3	175.3	-72.6	-179.9	171.5	-164	-7.8	110.4	V147 T169 I170 S317 D318 M330 T331 A347	V147-R149 HydrophobicContact CG1-CG 4.35Å; R149-T169 WeakPolarHBondContact O-CA 3.47Å; R149-I170 PolarHBondContact N-O 3.24Å; R149-I170 PolarHBondContact O-N 3.43Å; R149-S317 VanDerWaalsContact CD-CB 3.41Å; R149-S317 WeakPolarHBondContact CD-OG 3.36Å; R149-S317 PolarHBondContact NH1-OG 2.84Å; R149-D318 IonicContact NH1-OD1 3.35Å; R149-D318 PolarHBondContact NH1-OD1 2.9Å; R149-M330 HydrophobicContact CB-CG 4.35Å; R149-M330 HydrophobicContact CB-SD 3.99Å; R149-T331 VanDerWaalsContact CA-O 3.23Å; R149-T331 WeakPolarHBondContact CA-O 3.47Å; R149-A347 PolarHBondContact NH2-O 3.42Å
150	E	92.5	Very high	92	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.084	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.1	-177	-173.6	172.1	115.7	0	0	111.1	P167 T169 Y238 K242 M330 T331	E150-P167 HydrophobicContact CG-CB 4.27Å; E150-T169 HydrophobicContact CB-CG2 3.98Å; E150-T169 WeakPolarHBondContact CG-OG1 3.25Å; E150-T169 PolarHBondContact OE2-OG1 2.96Å; E150-Y238 PolarHBondContact OE2-OH 2.87Å; E150-K242 IonicContact OE1-NZ 3.66Å; E150-K242 PolarHBondContact OE1-NZ 2.76Å; E150-K242 IonicContact OE2-NZ 3.47Å; E150-K242 PolarHBondContact OE2-NZ 3.32Å; E150-M330 PolarHBondContact N-SD 3.3Å; E150-M330 VanDerWaalsContact N-SD 3.35Å; E150-M330 VanDerWaalsContact O-SD 3.33Å; E150-T331 PolarHBondContact N-O 2.96Å; E150-T331 PolarHBondContact O-N 3Å; E150-T331 PolarHBondContact O-OG1 3.43Å
151	P	94.2	Very high	92.1	Very high	7 Å²	7	39.1 Å²	39.1	5%	0.045	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	147.6	-178.6	30.5	-36.5	0	0	0	112	I153 P167 I168 F324 L329 M330	P151-I153 HydrophobicContact CB-CD1 4.15Å; P151-I153 HydrophobicContact CG-CD1 4.07Å; P151-P167 HydrophobicContact CG-CB 3.93Å; P151-I168 WeakPolarHBondContact CD-O 3.42Å; P151-F324 HydrophobicContact CB-CB 3.57Å; P151-F324 HydrophobicContact CB-CD1 4.05Å; P151-F324 HydrophobicContact CB-CD2 3.78Å; P151-F324 HydrophobicContact CB-CE2 4.5Å; P151-F324 HydrophobicContact CB-CG 3.53Å; P151-F324 HydrophobicContact CG-CB 4.28Å; P151-F324 HydrophobicContact CG-CD1 3.93Å; P151-F324 HydrophobicContact CG-CD2 3.57Å; P151-F324 HydrophobicContact CG-CE1 4.13Å; P151-F324 HydrophobicContact CG-CE2 3.79Å; P151-F324 HydrophobicContact CG-CG 3.66Å; P151-F324 HydrophobicContact CG-CZ 4.06Å; P151-L329 CarbonylContact C-O 3.54Å; P151-L329 VanDerWaalsContact CA-O 3.31Å; P151-L329 WeakPolarHBondContact CA-O 3.21Å; P151-M330 HydrophobicContact CB-CE 3.77Å; P151-M330 HydrophobicContact CB-SD 4.39Å; P151-M330 HydrophobicContact CG-CE 4.38Å; P151-M330 VanDerWaalsContact N-SD 3.37Å
152	I	93	Very high	92.4	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.051	22%	0.22	C	C	.	.			trans	-92.3	110.3	173.2	-55.9	170.9	0	0	0	107.4	L329 T331 I369 F373 V403	I152-L329 HydrophobicContact CB-CB 4.18Å; I152-L329 HydrophobicContact CB-CD2 4.29Å; I152-L329 HydrophobicContact CG2-CD2 4.4Å; I152-L329 PolarHBondContact N-O 2.83Å; I152-T331 HydrophobicContact CD1-CG2 3.87Å; I152-T331 HydrophobicContact CG1-CG2 3.82Å; I152-I369 HydrophobicContact CD1-CG2 3.69Å; I152-I369 HydrophobicContact CG2-CG2 4.42Å; I152-F373 HydrophobicContact CD1-CB 3.95Å; I152-F373 HydrophobicContact CD1-CD1 3.44Å; I152-F373 VanDerWaalsContact CD1-CD1 3.44Å; I152-F373 HydrophobicContact CD1-CD2 3.74Å; I152-F373 HydrophobicContact CD1-CE1 3.76Å; I152-F373 HydrophobicContact CD1-CE2 4.04Å; I152-F373 HydrophobicContact CD1-CG 3.41Å; I152-F373 VanDerWaalsContact CD1-CG 3.41Å; I152-F373 HydrophobicContact CD1-CZ 4.04Å; I152-F373 HydrophobicContact CG1-CD1 3.8Å; I152-F373 HydrophobicContact CG1-CE1 3.81Å; I152-F373 HydrophobicContact CG1-CG 4.29Å; I152-F373 HydrophobicContact CG1-CZ 4.33Å; I152-F373 HydrophobicContact CG2-CE1 3.93Å; I152-F373 HydrophobicContact CG2-CE2 4.37Å; I152-F373 HydrophobicContact CG2-CZ 3.74Å; I152-V403 HydrophobicContact CG2-CG2 4.02Å
153	I	92	Very high	92.5	Very high	57 Å²	57	39.8 Å²	39.8	29%	0.292	23%	0.228	S	C	.	.			trans	-87.1	121.1	-174.3	-52.9	-58.2	0	0	0	110.4	P151 P167 F324	P151-I153 HydrophobicContact CB-CD1 4.15Å; P151-I153 HydrophobicContact CG-CD1 4.07Å; I153-P167 HydrophobicContact CD1-CG 4.43Å; I153-P167 HydrophobicContact CG1-CG 3.89Å; I153-F324 HydrophobicContact CD1-CD1 3.37Å; I153-F324 HydrophobicContact CD1-CE1 3.64Å; I153-F324 HydrophobicContact CD1-CG 4.32Å
154	C	94	Very high	92.7	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.014	22%	0.224	C	C	.	.			trans	-111.3	129.6	167.5	-60.6	0	0	0	0	108.6	N156 I157 V406	C154-N156 VanDerWaalsContact C-N 3.29Å; C154-N156 PolarHBondContact O-N 2.92Å; C154-I157 HydrophobicContact CB-CB 4.25Å; C154-I157 HydrophobicContact CB-CG1 3.65Å; C154-I157 PolarHBondContact O-N 3.25Å; C154-V406 HydrophobicContact CB-CB 4.45Å; C154-V406 HydrophobicContact CB-CG1 3.9Å
155	K	93.4	Very high	93.1	Very high	168 Å²	168	42.3 Å²	42.3	73%	0.73	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.9	-172	-71.3	165.9	-167.2	157	0	113.7	I157 E407	K155-I157 VanDerWaalsContact C-N 3.35Å; K155-E407 HydrophobicContact CB-CG 4.44Å; K155-E407 VanDerWaalsContact CB-OE1 3.29Å; K155-E407 WeakPolarHBondContact CB-OE1 3.1Å; K155-E407 WeakPolarHBondContact CD-OE1 3.33Å; K155-E407 WeakPolarHBondContact CG-OE1 3.29Å; K155-E407 PolarHBondContact N-OE1 3.42Å; K155-E407 IonicContact NZ-OE2 3.63Å
156	N	95.1	Very high	93.5	Very high	52 Å²	52	45.9 Å²	45.9	28%	0.278	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.8	-177.4	67	-35.3	0	0	0	113.9	C154 P158 V406	C154-N156 VanDerWaalsContact C-N 3.29Å; C154-N156 PolarHBondContact O-N 2.92Å; N156-P158 WeakPolarHBondContact O-CD 3.31Å; N156-V406 PolarHBondContact ND2-O 2.56Å
157	I	95.9	Very high	93.6	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.015	26%	0.256	C	S	.	.	S	Bend	trans	-95.1	111.9	175.8	-57.2	-56.3	0	0	0	108.9	C154 K155 L329 V406 M411 L415 C418 I419	C154-I157 HydrophobicContact CB-CB 4.25Å; C154-I157 HydrophobicContact CB-CG1 3.65Å; C154-I157 PolarHBondContact O-N 3.25Å; K155-I157 VanDerWaalsContact C-N 3.35Å; I157-L329 HydrophobicContact CG2-CD1 4.48Å; I157-V406 HydrophobicContact CD1-CG1 3.86Å; I157-V406 HydrophobicContact CG1-CG1 3.86Å; I157-M411 HydrophobicContact CD1-SD 4.16Å; I157-L415 HydrophobicContact CD1-CB 3.86Å; I157-C418 HydrophobicContact CG2-CB 3.99Å; I157-I419 HydrophobicContact CD1-CD1 3.98Å; I157-I419 HydrophobicContact CD1-CG1 4.18Å
158	P	94.9	Very high	93.8	Very high	67 Å²	67	47.1 Å²	47.1	44%	0.435	26%	0.256	S	S	.	.			trans	-62.4	139.6	175.5	-21.4	33.9	0	0	0	110.8	N156	N156-P158 WeakPolarHBondContact O-CD 3.31Å
159	R	93.8	Very high	93.9	Very high	62 Å²	62	47 Å²	47	23%	0.234	26%	0.255	C	S	.	.			trans	-89.4	143.7	171.4	-68.6	156.9	-77.9	-84	-3.8	108.7	V161 W164 G323 F324	R159-V161 PolarHBondContact O-N 2.83Å; R159-W164 WeakPolarHBondContact CD-O 3.23Å; R159-W164 PolarHBondContact NE-O 2.9Å; R159-G323 WeakPolarHBondContact CA-O 3.44Å; R159-G323 WeakPolarHBondContact CB-O 3.49Å; R159-F324 HydrophobicContact CG-CD1 4.07Å
160	L	89.8	Confident	94.1	Very high	125 Å²	125	46 Å²	46	65%	0.654	25%	0.252	S	S	*	.	S	Bend	trans	-64.6	-28	175.2	-63.7	179	0	0	0	111.6	P162 Q322 G323	L160-P162 WeakPolarHBondContact O-CD 3.42Å; L160-Q322 HydrophobicContact CD1-CG 4.09Å; L160-Q322 WeakPolarHBondContact CD1-O 3.44Å; L160-G323 PolarHBondContact N-O 3.46Å
161	V	92.7	Very high	94.3	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	25%	0.248	C	C	.	.	S	Bend	trans	-107.9	99.6	170.7	-174.7	0	0	0	0	108.2	R159 G163 W164 L298	R159-V161 PolarHBondContact O-N 2.83Å; V161-G163 PolarHBondContact O-N 3.23Å; V161-G163 VanDerWaalsContact O-N 3.13Å; V161-W164 HydrophobicContact CB-CD2 3.61Å; V161-W164 HydrophobicContact CB-CE3 3.93Å; V161-W164 HydrophobicContact CB-CG 4Å; V161-W164 HydrophobicContact CB-CH2 4.32Å; V161-W164 HydrophobicContact CB-CZ2 4.05Å; V161-W164 HydrophobicContact CB-CZ3 4.28Å; V161-W164 HydrophobicContact CG1-CD2 3.92Å; V161-W164 HydrophobicContact CG1-CG 3.96Å; V161-W164 HydrophobicContact CG1-CZ2 4.21Å; V161-W164 HydrophobicContact CG2-CD2 4.2Å; V161-W164 HydrophobicContact CG2-CE3 4.26Å; V161-W164 HydrophobicContact CG2-CH2 3.82Å; V161-W164 HydrophobicContact CG2-CZ2 3.76Å; V161-W164 HydrophobicContact CG2-CZ3 4.09Å; V161-W164 PolarHBondContact O-N 3.41Å; V161-L298 HydrophobicContact CG2-CD2 4.08Å
162	P	91.8	Very high	94.4	Very high	107 Å²	107	45.4 Å²	45.4	70%	0.695	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.6	-171.9	-26.6	35.4	0	0	0	114.2	L160 W164	L160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-W164 PolarHBondContact O-N 3.15Å
163	G	93.4	Very high	94.4	Very high	39 Å²	39	45 Å²	45	40%	0.402	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-18.8	-179.3	0	0	0	0	0	114.7	V161 T165 S301	V161-G163 PolarHBondContact O-N 3.23Å; V161-G163 VanDerWaalsContact O-N 3.13Å; G163-T165 PolarHBondContact O-N 3.19Å; G163-S301 VanDerWaalsContact O-CA 3.32Å; G163-S301 WeakPolarHBondContact O-CA 3.42Å
164	W	95.3	Very high	94.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.015	24%	0.237	C	C	.	.			trans	-74.8	72.5	-178.4	-67	-7.1	0	0	0	112.4	R159 V161 P162 K166 I168 V297 L298 L320 F324	R159-W164 WeakPolarHBondContact CD-O 3.23Å; R159-W164 PolarHBondContact NE-O 2.9Å; V161-W164 HydrophobicContact CB-CD2 3.61Å; V161-W164 HydrophobicContact CB-CE3 3.93Å; V161-W164 HydrophobicContact CB-CG 4Å; V161-W164 HydrophobicContact CB-CH2 4.32Å; V161-W164 HydrophobicContact CB-CZ2 4.05Å; V161-W164 HydrophobicContact CB-CZ3 4.28Å; V161-W164 HydrophobicContact CG1-CD2 3.92Å; V161-W164 HydrophobicContact CG1-CG 3.96Å; V161-W164 HydrophobicContact CG1-CZ2 4.21Å; V161-W164 HydrophobicContact CG2-CD2 4.2Å; V161-W164 HydrophobicContact CG2-CE3 4.26Å; V161-W164 HydrophobicContact CG2-CH2 3.82Å; V161-W164 HydrophobicContact CG2-CZ2 3.76Å; V161-W164 HydrophobicContact CG2-CZ3 4.09Å; V161-W164 PolarHBondContact O-N 3.41Å; P162-W164 PolarHBondContact O-N 3.15Å; W164-K166 VanDerWaalsContact C-N 3.34Å; W164-I168 HydrophobicContact CD2-CD1 4.21Å; W164-I168 HydrophobicContact CG-CD1 4.42Å; W164-V297 HydrophobicContact CZ2-CG1 3.83Å; W164-V297 PolarHBondContact NE1-O 3.46Å; W164-L298 HydrophobicContact CZ2-CD2 4.14Å; W164-L320 HydrophobicContact CH2-CD2 3.65Å; W164-L320 HydrophobicContact CZ2-CD2 4.24Å; W164-L320 HydrophobicContact CZ3-CD2 3.83Å; W164-F324 HydrophobicContact CB-CE1 3.94Å; W164-F324 HydrophobicContact CB-CZ 3.85Å; W164-F324 HydrophobicContact CD2-CE2 4.27Å; W164-F324 HydrophobicContact CD2-CZ 4.23Å; W164-F324 AromaticContact CE3-CD2 3.92Å; W164-F324 HydrophobicContact CE3-CD2 3.92Å; W164-F324 HydrophobicContact CE3-CE1 4.42Å; W164-F324 AromaticContact CE3-CE2 3.56Å; W164-F324 HydrophobicContact CE3-CE2 3.56Å; W164-F324 HydrophobicContact CE3-CG 4.48Å; W164-F324 AromaticContact CE3-CZ 3.85Å; W164-F324 HydrophobicContact CE3-CZ 3.85Å; W164-F324 HydrophobicContact CG-CZ 4.28Å; W164-F324 HydrophobicContact CZ3-CD2 4.17Å; W164-F324 HydrophobicContact CZ3-CE2 4.05Å
165	T	91.1	Very high	94.1	Very high	96 Å²	96	44.3 Å²	44.3	59%	0.589	24%	0.243	S	C	*	.			trans	-79.1	-17.2	-178.3	51.5	0	0	0	0	113.3	G163 S301	G163-T165 PolarHBondContact O-N 3.19Å; T165-S301 PolarHBondContact N-O 3.34Å; T165-S301 PolarHBondContact OG1-O 3.36Å
166	K	93.8	Very high	93.9	Very high	93 Å²	93	36.3 Å²	36.3	40%	0.404	21%	0.209	S	C	.	.	S	Bend	trans	-121.2	153.6	173.8	-66.7	166.7	-67.3	-167.8	0	110.5	W164 S301 G302	W164-K166 VanDerWaalsContact C-N 3.34Å; K166-S301 WeakPolarHBondContact CE-O 3.45Å; K166-S301 PolarHBondContact N-O 3.48Å; K166-S301 PolarHBondContact NZ-OG 3.2Å; K166-G302 WeakPolarHBondContact CE-O 3.49Å
167	P	95.1	Very high	93.9	Very high	26 Å²	26	33.9 Å²	33.9	17%	0.169	20%	0.196	C	C	.	.			trans	-59.4	155.4	174.8	-19.9	30.8	0	0	0	112.3	E150 P151 I153 W244 G303	E150-P167 HydrophobicContact CG-CB 4.27Å; P151-P167 HydrophobicContact CG-CB 3.93Å; I153-P167 HydrophobicContact CD1-CG 4.43Å; I153-P167 HydrophobicContact CG1-CG 3.89Å; P167-W244 HydrophobicContact CB-CH2 3.89Å; P167-W244 HydrophobicContact CB-CZ3 4.38Å; P167-W244 HydrophobicContact CG-CH2 4Å; P167-G303 WeakPolarHBondContact O-CA 3.25Å; P167-G303 PolarHBondContact O-N 3.24Å
168	I	97.8	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.4	165.9	-64.1	160.9	0	0	0	106.6	P151 W164 V297 F304 L320 F324	P151-I168 WeakPolarHBondContact CD-O 3.42Å; W164-I168 HydrophobicContact CD2-CD1 4.21Å; W164-I168 HydrophobicContact CG-CD1 4.42Å; I168-V297 HydrophobicContact CD1-CG1 3.96Å; I168-F304 HydrophobicContact CB-CE2 4.49Å; I168-F304 HydrophobicContact CB-CZ 4.49Å; I168-F304 HydrophobicContact CD1-CE1 4.25Å; I168-F304 HydrophobicContact CD1-CZ 3.81Å; I168-F304 HydrophobicContact CG1-CE1 3.97Å; I168-F304 HydrophobicContact CG1-CE2 4.19Å; I168-F304 HydrophobicContact CG1-CZ 3.72Å; I168-F304 HydrophobicContact CG2-CD2 4.14Å; I168-F304 HydrophobicContact CG2-CE2 3.56Å; I168-F304 HydrophobicContact CG2-CZ 3.94Å; I168-L320 HydrophobicContact CB-CD1 3.97Å; I168-L320 HydrophobicContact CB-CD2 4.34Å; I168-L320 HydrophobicContact CD1-CD2 3.97Å; I168-L320 HydrophobicContact CG2-CD1 3.57Å; I168-L320 HydrophobicContact CG2-CD2 4.38Å; I168-F324 HydrophobicContact CB-CE2 4.29Å; I168-F324 HydrophobicContact CD1-CE2 4.28Å; I168-F324 HydrophobicContact CD1-CZ 4.37Å; I168-F324 HydrophobicContact CG1-CE2 4.43Å; I168-F324 HydrophobicContact CG1-CZ 4.36Å
169	T	97.7	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.5	-179.8	-51.2	0	0	0	0	110	F148 R149 E150 Y238 F304 V305 W306	F148-T169 HydrophobicContact CB-CG2 4.2Å; F148-T169 HydrophobicContact CD1-CG2 4.11Å; R149-T169 WeakPolarHBondContact O-CA 3.47Å; E150-T169 HydrophobicContact CB-CG2 3.98Å; E150-T169 WeakPolarHBondContact CG-OG1 3.25Å; E150-T169 PolarHBondContact OE2-OG1 2.96Å; T169-Y238 HydrophobicContact CG2-CD1 4.41Å; T169-Y238 HydrophobicContact CG2-CE1 3.55Å; T169-F304 PolarHBondContact N-O 3.03Å; T169-V305 CarbonylContact O-C 3.59Å; T169-V305 WeakPolarHBondContact O-CA 3.47Å; T169-W306 PolarHBondContact O-N 2.97Å
170	I	97.8	Very high	92.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.7	172.7	-77.6	175.3	0	0	0	109.2	F148 R149 R172 W306 C308 Q316 L320	F148-I170 CarbonylContact C-O 3.49Å; F148-I170 WeakPolarHBondContact CA-O 3.31Å; R149-I170 PolarHBondContact N-O 3.24Å; R149-I170 PolarHBondContact O-N 3.43Å; I170-R172 HydrophobicContact CG2-CB 4.43Å; I170-W306 CarbonylContact C-O 3.54Å; I170-W306 VanDerWaalsContact CA-O 3.27Å; I170-W306 WeakPolarHBondContact CA-O 3.32Å; I170-W306 HydrophobicContact CD1-CD2 4.49Å; I170-W306 HydrophobicContact CD1-CE3 3.75Å; I170-W306 HydrophobicContact CD1-CZ3 3.92Å; I170-W306 HydrophobicContact CG1-CB 4.25Å; I170-W306 HydrophobicContact CG1-CD2 4.18Å; I170-W306 HydrophobicContact CG1-CE3 3.7Å; I170-W306 HydrophobicContact CG1-CG 4.44Å; I170-W306 HydrophobicContact CG1-CZ3 4.39Å; I170-C308 HydrophobicContact CG2-CB 4.23Å; I170-Q316 HydrophobicContact CD1-CB 3.79Å; I170-L320 HydrophobicContact CD1-CD1 3.38Å; I170-L320 HydrophobicContact CD1-CG 4.08Å; I170-L320 HydrophobicContact CG1-CD1 3.57Å
171	G	97.4	Very high	92.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	109	162.1	0	0	0	0	0	109.2	V147 F231 W306 A307 C308	V147-G171 CarbonylContact O-C 3.57Å; V147-G171 WeakPolarHBondContact O-CA 3.25Å; G171-F231 WeakPolarHBondContact O-CE2 3.4Å; G171-W306 PolarHBondContact N-O 3.45Å; G171-A307 CarbonylContact O-C 3.59Å; G171-A307 WeakPolarHBondContact O-CA 3.42Å; G171-C308 PolarHBondContact O-N 2.83Å
172	R	95.9	Very high	92.8	Very high	11 Å²	11	37.9 Å²	37.9	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.1	178.9	173.6	-174.8	172.5	173	6.8	110.7	V147 I170 A174 Y179 N310 D314	V147-R172 HydrophobicContact CB-CB 4.39Å; V147-R172 PolarHBondContact N-O 3.44Å; V147-R172 VanDerWaalsContact N-O 3.13Å; V147-R172 PolarHBondContact O-N 2.78Å; I170-R172 HydrophobicContact CG2-CB 4.43Å; R172-A174 PolarHBondContact O-N 3.13Å; R172-Y179 PolarHBondContact NH2-OH 3.39Å; R172-N310 PolarHBondContact NE-O 3.46Å; R172-N310 VanDerWaalsContact NE-O 3.15Å; R172-N310 PolarHBondContact NE-OD1 3.5Å; R172-N310 PolarHBondContact NH2-OD1 2.98Å; R172-D314 IonicContact CZ-OD1 2.95Å; R172-D314 VanDerWaalsContact NH1-CG 3.29Å; R172-D314 IonicContact NH1-OD1 2.77Å; R172-D314 PolarHBondContact NH1-OD1 3.19Å; R172-D314 IonicContact NH1-OD2 2.78Å; R172-D314 IonicContact NH2-OD1 3.85Å; R172-D314 IonicContact NH2-OD2 3.39Å
173	H	94.4	Very high	93	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	93.4	169.2	-175.9	-151.9	0	0	0	110.7	H175 N223 S227 F231 F262 C308 N310	H173-H175 PolarHBondContact O-N 2.9Å; H173-N223 VanDerWaalsContact CE1-CG 3.48Å; H173-N223 PolarHBondContact CE1-ND2 3.31Å; H173-N223 PolarHBondContact CE1-OD1 3.47Å; H173-S227 PolarHBondContact NE2-O 3.36Å; H173-S227 PolarHBondContact NE2-OG 2.89Å; H173-F231 HydrophobicContact CB-CD1 3.73Å; H173-F231 HydrophobicContact CB-CD2 3.91Å; H173-F231 HydrophobicContact CB-CE1 3.78Å; H173-F231 HydrophobicContact CB-CE2 3.96Å; H173-F231 HydrophobicContact CB-CG 3.8Å; H173-F231 HydrophobicContact CB-CZ 3.89Å; H173-F231 AromaticContact CD2-CG 3.81Å; H173-F231 AromaticContact CG-CD1 3.88Å; H173-F231 AromaticContact CG-CG 3.91Å; H173-F262 AromaticContact CE1-CE1 3.77Å; H173-F262 AromaticContact CE1-CZ 3.79Å; H173-F262 AromaticContact ND1-CE1 3.28Å; H173-F262 VanDerWaalsContact ND1-CE1 3.28Å; H173-F262 WeakPolarHBondContact ND1-CE1 3.4Å; H173-F262 AromaticContact ND1-CZ 3.47Å; H173-F262 WeakPolarHBondContact ND1-CZ 3.44Å; H173-C308 PolarHBondContact N-O 2.89Å; H173-N310 WeakPolarHBondContact O-CA 3.36Å; H173-N310 WeakPolarHBondContact O-CB 3.27Å; H173-N310 PolarHBondContact O-OD1 2.92Å
174	A	89	Confident	93.1	Very high	13 Å²	13	41 Å²	41	11%	0.107	21%	0.212	C	C	.	.			trans	-84	44.5	-172.3	0	0	0	0	0	113.8	V147 R172	V147-A174 HydrophobicContact CG2-CB 3.93Å; R172-A174 PolarHBondContact O-N 3.13Å
175	H	89.8	Confident	93.3	Very high	32 Å²	32	46.3 Å²	46.3	15%	0.148	24%	0.244	C	C	.	.	S	Bend	trans	-144.2	144.7	-180	178.5	-90.9	0	0	0	112	H173 K180 N223 S227 N310	H173-H175 PolarHBondContact O-N 2.9Å; H175-K180 PolarHBondContact CD2-NZ 3.37Å; H175-K180 PolarHBondContact NE2-NZ 3.48Å; H175-K180 VanDerWaalsContact NE2-NZ 3.14Å; H175-N223 PolarHBondContact ND1-OD1 2.96Å; H175-N223 PolarHBondContact O-ND2 3.07Å; H175-S227 WeakPolarHBondContact CB-OG 3.31Å; H175-S227 PolarHBondContact ND1-OG 3.47Å; H175-N310 PolarHBondContact N-ND2 2.98Å; H175-N310 PolarHBondContact O-ND2 3.24Å
176	G	90	Very high	93.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	22%	0.222	C	C	.	.	S	Bend	trans	65.6	-148.8	169.9	0	0	0	0	0	113.7	Y179 Y222 N310	G176-Y179 PolarHBondContact O-N 3.5Å; G176-Y222 WeakPolarHBondContact CA-O 3.39Å; G176-N310 PolarHBondContact O-ND2 3.49Å
177	D	94.5	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	53.4	-143.9	-176.3	-56.4	-13.3	0	0	0	111.1	Y179 K180 A181 Y222 N223 Y258 N310	D177-Y179 PolarHBondContact O-N 3.47Å; D177-K180 PolarHBondContact O-N 3.01Å; D177-A181 PolarHBondContact O-N 2.96Å; D177-Y222 PolarHBondContact N-O 2.91Å; D177-N223 PolarHBondContact OD1-ND2 3.44Å; D177-Y258 WeakPolarHBondContact OD1-CE1 3.3Å; D177-Y258 PolarHBondContact OD1-OH 3.48Å; D177-N310 HydrophobicContact CB-CB 4.18Å; D177-N310 PolarHBondContact OD2-N 2.85Å
178	Q	90.9	Very high	93.9	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.3	-24.3	179.6	-63.5	88.2	-17.6	0	0	113.2	K180 A181 M219 M221	Q178-K180 VanDerWaalsContact C-N 3.28Å; Q178-K180 PolarHBondContact O-N 3.45Å; Q178-A181 WeakPolarHBondContact O-CB 3.17Å; Q178-A181 PolarHBondContact O-N 3.34Å; Q178-M219 HydrophobicContact CG-CE 4.3Å; Q178-M221 HydrophobicContact CG-CE 3.93Å
179	Y	84.6	Confident	94	Very high	95 Å²	95	53.4 Å²	53.4	37%	0.373	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-81.4	-5.6	-174.3	-60.5	-98	0	0	0	113.7	R172 G176 D177 N310 Y311 D314	R172-Y179 PolarHBondContact NH2-OH 3.39Å; G176-Y179 PolarHBondContact O-N 3.5Å; D177-Y179 PolarHBondContact O-N 3.47Å; Y179-N310 HydrophobicContact CD2-CB 3.78Å; Y179-N310 WeakPolarHBondContact CD2-ND2 3.42Å; Y179-N310 WeakPolarHBondContact CD2-OD1 3.5Å; Y179-N310 HydrophobicContact CE2-CB 3.93Å; Y179-Y311 HydrophobicContact CE2-CD2 4.48Å; Y179-D314 WeakPolarHBondContact OH-CB 3.31Å; Y179-D314 VanDerWaalsContact OH-CG 3.25Å; Y179-D314 PolarHBondContact OH-OD2 2.98Å
180	K	87	Confident	94	Very high	62 Å²	62	55 Å²	55	27%	0.27	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-135.6	29.4	168.5	-63.7	-170.4	179.9	175.1	0	111.4	N141 H175 D177 Q178 Y222	N141-K180 WeakPolarHBondContact OD1-CE 3.19Å; N141-K180 PolarHBondContact OD1-NZ 2.95Å; H175-K180 PolarHBondContact CD2-NZ 3.37Å; H175-K180 PolarHBondContact NE2-NZ 3.48Å; H175-K180 VanDerWaalsContact NE2-NZ 3.14Å; D177-K180 PolarHBondContact O-N 3.01Å; Q178-K180 VanDerWaalsContact C-N 3.28Å; Q178-K180 PolarHBondContact O-N 3.45Å; K180-Y222 HydrophobicContact CB-CE1 3.89Å; K180-Y222 VanDerWaalsContact CD-OH 3.31Å; K180-Y222 WeakPolarHBondContact CD-OH 3.14Å
181	A	89.9	Confident	94.1	Very high	26 Å²	26	59 Å²	59	22%	0.215	32%	0.32	C	S	.	.			trans	-73.2	165.4	177.6	0	0	0	0	0	111.6	D177 Q178 M219 G220 M221	D177-A181 PolarHBondContact O-N 2.96Å; Q178-A181 WeakPolarHBondContact O-CB 3.17Å; Q178-A181 PolarHBondContact O-N 3.34Å; A181-M219 HydrophobicContact CB-CE 3.9Å; A181-G220 CarbonylContact C-O 3.58Å; A181-G220 VanDerWaalsContact CA-O 3.23Å; A181-G220 WeakPolarHBondContact CA-O 3.39Å; A181-G220 WeakPolarHBondContact CB-O 3.48Å; A181-M221 HydrophobicContact CB-CB 4.11Å
182	T	92.3	Very high	94.1	Very high	109 Å²	109	60.7 Å²	60.7	67%	0.669	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.8	162.6	-59.7	0	0	0	0	107.5	M219 G220	T182-M219 CarbonylContact O-C 3.6Å; T182-M219 VanDerWaalsContact O-CA 3.31Å; T182-M219 WeakPolarHBondContact O-CA 3.36Å; T182-G220 PolarHBondContact N-O 2.81Å; T182-G220 PolarHBondContact O-N 3.33Å
183	D	95.1	Very high	94.3	Very high	124 Å²	124	65.4 Å²	65.4	66%	0.663	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	158.3	-176.5	63.1	-46.2	0	0	0	111.7	G218 M219	D183-G218 CarbonylContact C-O 3.52Å; D183-G218 VanDerWaalsContact CA-O 3.31Å; D183-G218 WeakPolarHBondContact CA-O 3.45Å; D183-M219 HydrophobicContact CB-CB 4.05Å
184	F	96.7	Very high	94.5	Very high	88 Å²	88	69.6 Å²	69.6	39%	0.386	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.6	178.6	64.3	-86.2	0	0	0	111.6	A186 F192 V217 G218	F184-A186 HydrophobicContact CE2-CB 4.3Å; F184-F192 HydrophobicContact CE1-CD2 4.21Å; F184-F192 HydrophobicContact CE1-CE2 4.06Å; F184-F192 HydrophobicContact CE1-CZ 4.29Å; F184-F192 HydrophobicContact CZ-CD1 4.41Å; F184-F192 AromaticContact CZ-CD2 3.95Å; F184-F192 HydrophobicContact CZ-CD2 3.95Å; F184-F192 HydrophobicContact CZ-CE2 4.26Å; F184-F192 HydrophobicContact CZ-CG 4.06Å; F184-V217 WeakPolarHBondContact O-CA 3.39Å; F184-G218 PolarHBondContact N-O 2.84Å; F184-G218 PolarHBondContact O-N 3.09Å
185	V	97.8	Very high	94.9	Very high	115 Å²	115	72.4 Å²	72.4	70%	0.697	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	125.5	168.2	-179.3	0	0	0	0	108.4	V217	V185-V217 HydrophobicContact CG2-CG1 4.43Å
186	A	98.3	Very high	95.3	Very high	14 Å²	14	76.6 Å²	76.6	12%	0.116	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	109.6	168.1	0	0	0	0	0	108.2	F184 R188 F212 G215 G216	F184-A186 HydrophobicContact CE2-CB 4.3Å; A186-R188 VanDerWaalsContact C-N 3.34Å; A186-F212 HydrophobicContact CB-CD1 4.35Å; A186-F212 HydrophobicContact CB-CD2 4.47Å; A186-F212 HydrophobicContact CB-CE1 4.48Å; A186-F212 HydrophobicContact CB-CG 4.35Å; A186-G215 CarbonylContact O-C 3.55Å; A186-G215 WeakPolarHBondContact O-CA 3.41Å; A186-G216 PolarHBondContact N-O 2.75Å; A186-G216 PolarHBondContact O-N 3.26Å
187	D	98.1	Very high	95.7	Very high	114 Å²	114	81.2 Å²	81.2	61%	0.61	43%	0.431	S	S	*	.			trans	-86.5	-5.1	-177.4	72.9	-21.7	0	0	0	113.6
188	R	98.1	Very high	95.9	Very high	173 Å²	173	82 Å²	82	65%	0.653	44%	0.436	S	S	*	.	S	Bend	trans	-153.7	169.8	-176.2	68.1	-165.5	70.7	-162.3	-3.5	111	A186	A186-R188 VanDerWaalsContact C-N 3.34Å
189	A	98.6	Very high	96.2	Very high	62 Å²	62	88.8 Å²	88.8	51%	0.512	46%	0.464	S	S	.	.			trans	-60	144.5	173.1	0	0	0	0	0	111.9	F212	A189-F212 CarbonylContact C-O 3.52Å; A189-F212 WeakPolarHBondContact CA-O 3.37Å; A189-F212 VanDerWaalsContact CB-O 3.27Å; A189-F212 WeakPolarHBondContact CB-O 3.38Å
190	G	98.5	Very high	96.8	Very high	35 Å²	35	90.4 Å²	90.4	36%	0.361	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	162.7	-179.7	0	0	0	0	0	113.5	N211 F212	G190-N211 PolarHBondContact O-OD1 3.18Å; G190-F212 PolarHBondContact N-O 3.21Å; G190-F212 WeakPolarHBondContact O-CB 3.45Å; G190-F212 WeakPolarHBondContact O-CD2 3.47Å; G190-F212 PolarHBondContact O-N 2.94Å
191	T	98.6	Very high	97.3	Very high	84 Å²	84	90.7 Å²	90.7	52%	0.515	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.3	-178.9	-48.1	0	0	0	0	111.1	E208 N211	T191-E208 HydrophobicContact CG2-CG 3.74Å; T191-N211 HydrophobicContact CG2-CB 4.48Å; T191-N211 PolarHBondContact OG1-OD1 2.77Å; T191-N211 VanDerWaalsContact OG1-OD1 3.07Å
192	F	98.7	Very high	97.7	Very high	36 Å²	36	92.2 Å²	92.2	16%	0.158	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.4	172.6	172.6	-144.3	0	0	0	110.3	F184 M194 V209 Y210 F212	F184-F192 HydrophobicContact CE1-CD2 4.21Å; F184-F192 HydrophobicContact CE1-CE2 4.06Å; F184-F192 HydrophobicContact CE1-CZ 4.29Å; F184-F192 HydrophobicContact CZ-CD1 4.41Å; F184-F192 AromaticContact CZ-CD2 3.95Å; F184-F192 HydrophobicContact CZ-CD2 3.95Å; F184-F192 HydrophobicContact CZ-CE2 4.26Å; F184-F192 HydrophobicContact CZ-CG 4.06Å; F192-M194 HydrophobicContact CZ-CG 4.46Å; F192-V209 HydrophobicContact CD1-CB 3.51Å; F192-V209 HydrophobicContact CD1-CG1 3.58Å; F192-V209 HydrophobicContact CD1-CG2 3.98Å; F192-V209 HydrophobicContact CE1-CB 3.82Å; F192-V209 HydrophobicContact CE1-CG1 3.65Å; F192-V209 HydrophobicContact CE1-CG2 3.85Å; F192-V209 HydrophobicContact CG-CB 4.07Å; F192-V209 HydrophobicContact CG-CG2 4.42Å; F192-V209 HydrophobicContact CZ-CG2 4.18Å; F192-V209 PolarHBondContact O-N 2.97Å; F192-Y210 PolarHBondContact N-O 2.89Å; F192-Y210 PolarHBondContact O-N 2.9Å; F192-F212 HydrophobicContact CB-CD2 4.32Å; F192-F212 HydrophobicContact CB-CE2 3.7Å
193	K	98.6	Very high	97.9	Very high	110 Å²	110	89.9 Å²	89.9	48%	0.478	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.7	177.4	68.6	178.6	-166.3	162.4	0	112.3	V195 E206 W207	K193-V195 HydrophobicContact CD-CG2 4.46Å; K193-V195 HydrophobicContact CG-CG2 4.5Å; K193-E206 IonicContact NZ-OE1 3.22Å; K193-E206 PolarHBondContact NZ-OE1 2.88Å; K193-E206 IonicContact NZ-OE2 2.8Å; K193-E206 PolarHBondContact NZ-OE2 2.95Å; K193-W207 CarbonylContact C-O 3.5Å; K193-W207 WeakPolarHBondContact CA-O 3.33Å; K193-W207 WeakPolarHBondContact CB-O 3.46Å
194	M	98.7	Very high	98.1	Very high	88 Å²	88	87.8 Å²	87.8	43%	0.433	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.4	168	-66.7	-175.1	-59.5	0	0	109.8	F192 E206 W207 V209	F192-M194 HydrophobicContact CZ-CG 4.46Å; M194-E206 CarbonylContact O-C 3.5Å; M194-E206 VanDerWaalsContact O-CA 3.3Å; M194-E206 WeakPolarHBondContact O-CA 3.45Å; M194-W207 HydrophobicContact CB-CE3 4.24Å; M194-W207 HydrophobicContact CE-CB 4.29Å; M194-W207 PolarHBondContact N-O 3.01Å; M194-W207 PolarHBondContact O-N 2.74Å; M194-V209 HydrophobicContact CE-CG2 3.91Å; M194-V209 HydrophobicContact CG-CG2 3.72Å; M194-V209 HydrophobicContact SD-CG2 4.2Å
195	V	98.6	Very high	98.2	Very high	72 Å²	72	89.6 Å²	89.6	44%	0.436	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.8	178.7	-176.4	0	0	0	0	109	K193 V204 K205 E206	K193-V195 HydrophobicContact CD-CG2 4.46Å; K193-V195 HydrophobicContact CG-CG2 4.5Å; V195-V204 HydrophobicContact CG1-CG1 3.52Å; V195-K205 CarbonylContact C-O 3.53Å; V195-K205 WeakPolarHBondContact CA-O 3.43Å; V195-E206 HydrophobicContact CG1-CG 4.26Å; V195-E206 HydrophobicContact CG2-CG 3.98Å
196	F	98.6	Very high	98.2	Very high	121 Å²	121	89.3 Å²	89.3	53%	0.531	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.8	171.1	-178.8	-102.4	0	0	0	109.3	P198 K205 W207	F196-P198 HydrophobicContact CD1-CG 4.07Å; F196-P198 HydrophobicContact CE1-CB 4.36Å; F196-P198 HydrophobicContact CE1-CG 3.9Å; F196-P198 WeakPolarHBondContact O-CD 3.28Å; F196-K205 PolarHBondContact N-O 2.7Å; F196-K205 PolarHBondContact O-N 2.84Å; F196-W207 HydrophobicContact CB-CH2 3.93Å; F196-W207 HydrophobicContact CB-CZ3 3.67Å
197	T	98.3	Very high	98.2	Very high	98 Å²	98	94.6 Å²	94.6	60%	0.601	51%	0.514	S	S	*	.			trans	-105.7	104.4	178.5	-57.8	0	0	0	0	109.1	V204	T197-V204 HydrophobicContact CG2-CG2 4.11Å
198	P	98.3	Very high	98.2	Very high	16 Å²	16	95.6 Å²	95.6	10%	0.104	52%	0.515	C	S	.	.			trans	-60.3	137.8	179.9	-24.7	35.7	0	0	0	112.5	F196 D200 G201 S202	F196-P198 HydrophobicContact CD1-CG 4.07Å; F196-P198 HydrophobicContact CE1-CB 4.36Å; F196-P198 HydrophobicContact CE1-CG 3.9Å; F196-P198 WeakPolarHBondContact O-CD 3.28Å; P198-D200 VanDerWaalsContact C-N 3.27Å; P198-D200 WeakPolarHBondContact CB-OD1 3.29Å; P198-D200 PolarHBondContact O-N 3.11Å; P198-G201 PolarHBondContact O-N 3.1Å; P198-S202 WeakPolarHBondContact CB-OG 3.48Å; P198-S202 WeakPolarHBondContact CD-O 3.17Å; P198-S202 WeakPolarHBondContact CG-O 3.4Å; P198-S202 VanDerWaalsContact CG-OG 3.29Å; P198-S202 WeakPolarHBondContact CG-OG 3.28Å
199	K	97.6	Very high	98.2	Very high	222 Å²	222	90.6 Å²	90.6	97%	0.965	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.6	179.4	-171.3	176.9	178.8	-179.1	0	113.1	G201	K199-G201 PolarHBondContact O-N 3.48Å
200	D	97.5	Very high	98.2	Very high	129 Å²	129	93.7 Å²	93.7	69%	0.69	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-2.9	177.1	64.2	1.9	0	0	0	113.3	P198 S202	P198-D200 VanDerWaalsContact C-N 3.27Å; P198-D200 WeakPolarHBondContact CB-OD1 3.29Å; P198-D200 PolarHBondContact O-N 3.11Å; D200-S202 VanDerWaalsContact C-N 3.33Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.36Å; D200-S202 PolarHBondContact OD1-N 3.1Å; D200-S202 PolarHBondContact OD1-OG 2.92Å
201	G	97	Very high	98.2	Very high	68 Å²	68	96.3 Å²	96.3	70%	0.701	51%	0.508	S	S	*	.	S	Bend	trans	81.4	6.6	-178.4	0	0	0	0	0	114.5	P198 K199	P198-G201 PolarHBondContact O-N 3.1Å; K199-G201 PolarHBondContact O-N 3.48Å
202	S	97.2	Very high	98.2	Very high	59 Å²	59	93.2 Å²	93.2	41%	0.413	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-65.7	166.9	170.2	64.6	0	0	0	0	111.9	P198 D200 V204	P198-S202 WeakPolarHBondContact CB-OG 3.48Å; P198-S202 WeakPolarHBondContact CD-O 3.17Å; P198-S202 WeakPolarHBondContact CG-O 3.4Å; P198-S202 VanDerWaalsContact CG-OG 3.29Å; P198-S202 WeakPolarHBondContact CG-OG 3.28Å; D200-S202 VanDerWaalsContact C-N 3.33Å; D200-S202 VanDerWaalsContact OD1-CB 3.26Å; D200-S202 WeakPolarHBondContact OD1-CB 3.36Å; D200-S202 PolarHBondContact OD1-N 3.1Å; D200-S202 PolarHBondContact OD1-OG 2.92Å; S202-V204 PolarHBondContact O-N 2.98Å
203	G	97.5	Very high	98.2	Very high	59 Å²	59	96.6 Å²	96.6	61%	0.608	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-56.5	130.8	-169.2	0	0	0	0	0	114.4
204	V	98.5	Very high	98.2	Very high	80 Å²	80	94.1 Å²	94.1	49%	0.485	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.1	172.6	178.9	0	0	0	0	109.9	V195 T197 S202 E206	V195-V204 HydrophobicContact CG1-CG1 3.52Å; T197-V204 HydrophobicContact CG2-CG2 4.11Å; S202-V204 PolarHBondContact O-N 2.98Å; V204-E206 HydrophobicContact CG1-CG 4.44Å
205	K	98.4	Very high	98.2	Very high	126 Å²	126	92.7 Å²	92.7	55%	0.548	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.7	173.8	-66.5	-179.4	-179.6	173	0	110	V195 F196 W207	V195-K205 CarbonylContact C-O 3.53Å; V195-K205 WeakPolarHBondContact CA-O 3.43Å; F196-K205 PolarHBondContact N-O 2.7Å; F196-K205 PolarHBondContact O-N 2.84Å; K205-W207 HydrophobicContact CB-CH2 3.41Å; K205-W207 VanDerWaalsContact CB-CH2 3.41Å; K205-W207 HydrophobicContact CB-CZ2 3.83Å; K205-W207 HydrophobicContact CB-CZ3 3.82Å; K205-W207 HydrophobicContact CD-CH2 4.05Å; K205-W207 HydrophobicContact CD-CZ2 4.05Å; K205-W207 HydrophobicContact CG-CH2 4.37Å
206	E	98.5	Very high	98.1	Very high	109 Å²	109	90.5 Å²	90.5	51%	0.509	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146.2	174.6	-56.9	-157	171.3	0	0	110.6	K193 M194 V195 V204	K193-E206 IonicContact NZ-OE1 3.22Å; K193-E206 PolarHBondContact NZ-OE1 2.88Å; K193-E206 IonicContact NZ-OE2 2.8Å; K193-E206 PolarHBondContact NZ-OE2 2.95Å; M194-E206 CarbonylContact O-C 3.5Å; M194-E206 VanDerWaalsContact O-CA 3.3Å; M194-E206 WeakPolarHBondContact O-CA 3.45Å; V195-E206 HydrophobicContact CG1-CG 4.26Å; V195-E206 HydrophobicContact CG2-CG 3.98Å; V204-E206 HydrophobicContact CG1-CG 4.44Å
207	W	98.7	Very high	98.1	Very high	126 Å²	126	90 Å²	90	48%	0.477	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.6	172.3	-59.5	-92.8	0	0	0	109.3	K193 M194 F196 K205	K193-W207 CarbonylContact C-O 3.5Å; K193-W207 WeakPolarHBondContact CA-O 3.33Å; K193-W207 WeakPolarHBondContact CB-O 3.46Å; M194-W207 HydrophobicContact CB-CE3 4.24Å; M194-W207 HydrophobicContact CE-CB 4.29Å; M194-W207 PolarHBondContact N-O 3.01Å; M194-W207 PolarHBondContact O-N 2.74Å; F196-W207 HydrophobicContact CB-CH2 3.93Å; F196-W207 HydrophobicContact CB-CZ3 3.67Å; K205-W207 HydrophobicContact CB-CH2 3.41Å; K205-W207 VanDerWaalsContact CB-CH2 3.41Å; K205-W207 HydrophobicContact CB-CZ2 3.83Å; K205-W207 HydrophobicContact CB-CZ3 3.82Å; K205-W207 HydrophobicContact CD-CH2 4.05Å; K205-W207 HydrophobicContact CD-CZ2 4.05Å; K205-W207 HydrophobicContact CG-CH2 4.37Å
208	E	98.5	Very high	98.1	Very high	134 Å²	134	85.7 Å²	85.7	63%	0.626	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.5	165.2	-174.1	177.8	152.5	0	0	108.8	T191	T191-E208 HydrophobicContact CG2-CG 3.74Å
209	V	98.5	Very high	98.1	Very high	68 Å²	68	89.2 Å²	89.2	41%	0.412	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-51.4	179.7	-180	0	0	0	0	110.1	F192 M194	F192-V209 HydrophobicContact CD1-CB 3.51Å; F192-V209 HydrophobicContact CD1-CG1 3.58Å; F192-V209 HydrophobicContact CD1-CG2 3.98Å; F192-V209 HydrophobicContact CE1-CB 3.82Å; F192-V209 HydrophobicContact CE1-CG1 3.65Å; F192-V209 HydrophobicContact CE1-CG2 3.85Å; F192-V209 HydrophobicContact CG-CB 4.07Å; F192-V209 HydrophobicContact CG-CG2 4.42Å; F192-V209 HydrophobicContact CZ-CG2 4.18Å; F192-V209 PolarHBondContact O-N 2.97Å; M194-V209 HydrophobicContact CE-CG2 3.91Å; M194-V209 HydrophobicContact CG-CG2 3.72Å; M194-V209 HydrophobicContact SD-CG2 4.2Å
210	Y	98.6	Very high	98.2	Very high	128 Å²	128	80.1 Å²	80.1	50%	0.502	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	146.4	-178.7	-168.8	-116.1	0	0	0	111	F192 F212	F192-Y210 PolarHBondContact N-O 2.89Å; F192-Y210 PolarHBondContact O-N 2.9Å; Y210-F212 AromaticContact CD1-CD1 3.73Å; Y210-F212 HydrophobicContact CD1-CD1 3.73Å; Y210-F212 AromaticContact CD1-CD2 3.99Å; Y210-F212 HydrophobicContact CD1-CD2 3.99Å; Y210-F212 AromaticContact CD1-CE1 3.79Å; Y210-F212 HydrophobicContact CD1-CE1 3.79Å; Y210-F212 HydrophobicContact CD1-CE2 4.05Å; Y210-F212 AromaticContact CD1-CG 3.82Å; Y210-F212 HydrophobicContact CD1-CG 3.82Å; Y210-F212 AromaticContact CD1-CZ 3.95Å; Y210-F212 HydrophobicContact CD1-CZ 3.95Å; Y210-F212 AromaticContact CE1-CD1 3.88Å; Y210-F212 HydrophobicContact CE1-CD1 3.88Å; Y210-F212 HydrophobicContact CE1-CE1 4.21Å; Y210-F212 HydrophobicContact CE1-CG 4.19Å
211	N	98.5	Very high	98.2	Very high	89 Å²	89	77.1 Å²	77.1	48%	0.476	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	106.3	169.9	-168	9.9	0	0	0	109.5	G190 T191 P213	G190-N211 PolarHBondContact O-OD1 3.18Å; T191-N211 HydrophobicContact CG2-CB 4.48Å; T191-N211 PolarHBondContact OG1-OD1 2.77Å; T191-N211 VanDerWaalsContact OG1-OD1 3.07Å; N211-P213 VanDerWaalsContact O-CD 3.27Å; N211-P213 WeakPolarHBondContact O-CD 3.46Å
212	F	98.5	Very high	98.2	Very high	20 Å²	20	79 Å²	79	9%	0.088	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	117.5	-177.5	-69.6	-87.9	0	0	0	110.5	A186 A189 G190 F192 Y210 A214 V217	A186-F212 HydrophobicContact CB-CD1 4.35Å; A186-F212 HydrophobicContact CB-CD2 4.47Å; A186-F212 HydrophobicContact CB-CE1 4.48Å; A186-F212 HydrophobicContact CB-CG 4.35Å; A189-F212 CarbonylContact C-O 3.52Å; A189-F212 WeakPolarHBondContact CA-O 3.37Å; A189-F212 VanDerWaalsContact CB-O 3.27Å; A189-F212 WeakPolarHBondContact CB-O 3.38Å; G190-F212 PolarHBondContact N-O 3.21Å; G190-F212 WeakPolarHBondContact O-CB 3.45Å; G190-F212 WeakPolarHBondContact O-CD2 3.47Å; G190-F212 PolarHBondContact O-N 2.94Å; F192-F212 HydrophobicContact CB-CD2 4.32Å; F192-F212 HydrophobicContact CB-CE2 3.7Å; Y210-F212 AromaticContact CD1-CD1 3.73Å; Y210-F212 HydrophobicContact CD1-CD1 3.73Å; Y210-F212 AromaticContact CD1-CD2 3.99Å; Y210-F212 HydrophobicContact CD1-CD2 3.99Å; Y210-F212 AromaticContact CD1-CE1 3.79Å; Y210-F212 HydrophobicContact CD1-CE1 3.79Å; Y210-F212 HydrophobicContact CD1-CE2 4.05Å; Y210-F212 AromaticContact CD1-CG 3.82Å; Y210-F212 HydrophobicContact CD1-CG 3.82Å; Y210-F212 AromaticContact CD1-CZ 3.95Å; Y210-F212 HydrophobicContact CD1-CZ 3.95Å; Y210-F212 AromaticContact CE1-CD1 3.88Å; Y210-F212 HydrophobicContact CE1-CD1 3.88Å; Y210-F212 HydrophobicContact CE1-CE1 4.21Å; Y210-F212 HydrophobicContact CE1-CG 4.19Å; F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 WeakPolarHBondContact CB-O 3.41Å; F212-V217 WeakPolarHBondContact CZ-O 3.32Å
213	P	98	Very high	98.2	Very high	107 Å²	107	77.6 Å²	77.6	70%	0.695	44%	0.438	S	S	*	.	S	Bend	trans	-79.2	-16.8	172.9	31.9	-34.3	0	0	0	112.8	N211	N211-P213 VanDerWaalsContact O-CD 3.27Å; N211-P213 WeakPolarHBondContact O-CD 3.46Å
214	A	98.2	Very high	98.1	Very high	57 Å²	57	77.4 Å²	77.4	47%	0.471	43%	0.425	S	S	.	.	S	Bend	trans	-154.3	-165.2	-179.3	0	0	0	0	0	109.4	F212	F212-A214 VanDerWaalsContact C-N 3.31Å; F212-A214 WeakPolarHBondContact CB-O 3.41Å
215	G	97.9	Very high	98.1	Very high	58 Å²	58	77.1 Å²	77.1	60%	0.598	42%	0.42	S	S	*	.			trans	-61.5	153.7	178.3	0	0	0	0	0	113.9	A186	A186-G215 CarbonylContact O-C 3.55Å; A186-G215 WeakPolarHBondContact O-CA 3.41Å
216	G	98.3	Very high	97.9	Very high	26 Å²	26	79 Å²	79	27%	0.268	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-162	-178.5	0	0	0	0	0	113	A186	A186-G216 PolarHBondContact N-O 2.75Å; A186-G216 PolarHBondContact O-N 3.26Å
217	V	98.5	Very high	97.6	Very high	110 Å²	110	75.2 Å²	75.2	67%	0.667	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.5	177.2	-65.2	0	0	0	0	110.1	F184 V185 F212	F184-V217 WeakPolarHBondContact O-CA 3.39Å; V185-V217 HydrophobicContact CG2-CG1 4.43Å; F212-V217 WeakPolarHBondContact CZ-O 3.32Å
218	G	98.4	Very high	97.6	Very high	9 Å²	9	69.4 Å²	69.4	9%	0.093	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	149.9	176.2	0	0	0	0	0	111.1	D183 F184	D183-G218 CarbonylContact C-O 3.52Å; D183-G218 VanDerWaalsContact CA-O 3.31Å; D183-G218 WeakPolarHBondContact CA-O 3.45Å; F184-G218 PolarHBondContact N-O 2.84Å; F184-G218 PolarHBondContact O-N 3.09Å
219	M	98.3	Very high	97.4	Very high	89 Å²	89	64.6 Å²	64.6	44%	0.438	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	151.9	174.7	73.6	-179.7	-49.6	0	0	112	Q178 A181 T182 D183 M221	Q178-M219 HydrophobicContact CG-CE 4.3Å; A181-M219 HydrophobicContact CB-CE 3.9Å; T182-M219 CarbonylContact O-C 3.6Å; T182-M219 VanDerWaalsContact O-CA 3.31Å; T182-M219 WeakPolarHBondContact O-CA 3.36Å; D183-M219 HydrophobicContact CB-CB 4.05Å; M219-M221 HydrophobicContact CE-CE 3.55Å; M219-M221 HydrophobicContact SD-CE 3.95Å
220	G	98.1	Very high	97.2	Very high	32 Å²	32	62.1 Å²	62.1	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.9	168.8	0	0	0	0	0	110.7	A181 T182	A181-G220 CarbonylContact C-O 3.58Å; A181-G220 VanDerWaalsContact CA-O 3.23Å; A181-G220 WeakPolarHBondContact CA-O 3.39Å; A181-G220 WeakPolarHBondContact CB-O 3.48Å; T182-G220 PolarHBondContact N-O 2.81Å; T182-G220 PolarHBondContact O-N 3.33Å
221	M	97.5	Very high	97	Very high	66 Å²	66	56.1 Å²	56.1	33%	0.325	34%	0.341	S	S	.	.			trans	-139.6	162.9	179.5	69.1	-179.5	72.7	0	0	111.1	Q178 A181 M219 Y258	Q178-M221 HydrophobicContact CG-CE 3.93Å; A181-M221 HydrophobicContact CB-CB 4.11Å; M219-M221 HydrophobicContact CE-CE 3.55Å; M219-M221 HydrophobicContact SD-CE 3.95Å; M221-Y258 HydrophobicContact CG-CE2 4.22Å
222	Y	97.7	Very high	97	Very high	108 Å²	108	51.9 Å²	51.9	42%	0.424	32%	0.318	S	S	.	.			trans	-145.9	163	-178.9	74	-82.8	0	0	0	112.1	G176 D177 K180 T224 Y258	G176-Y222 WeakPolarHBondContact CA-O 3.39Å; D177-Y222 PolarHBondContact N-O 2.91Å; K180-Y222 HydrophobicContact CB-CE1 3.89Å; K180-Y222 VanDerWaalsContact CD-OH 3.31Å; K180-Y222 WeakPolarHBondContact CD-OH 3.14Å; Y222-T224 HydrophobicContact CD2-CG2 4.42Å; Y222-T224 HydrophobicContact CE2-CG2 4.47Å; Y222-Y258 PolarHBondContact O-OH 3.12Å
223	N	96.9	Very high	96.8	Very high	29 Å²	29	53.2 Å²	53.2	16%	0.155	32%	0.324	C	S	.	.			trans	-142	175.4	161.1	-134.7	-50.9	0	0	0	109.8	H173 H175 D177 I228 Y258 F262	H173-N223 VanDerWaalsContact CE1-CG 3.48Å; H173-N223 PolarHBondContact CE1-ND2 3.31Å; H173-N223 PolarHBondContact CE1-OD1 3.47Å; H175-N223 PolarHBondContact ND1-OD1 2.96Å; H175-N223 PolarHBondContact O-ND2 3.07Å; D177-N223 PolarHBondContact OD1-ND2 3.44Å; N223-I228 HydrophobicContact CB-CD1 4.32Å; N223-Y258 PolarHBondContact N-OH 2.75Å; N223-F262 HydrophobicContact CB-CE2 4.45Å; N223-F262 HydrophobicContact CB-CZ 4.45Å
224	T	96.5	Very high	96.5	Very high	54 Å²	54	48.2 Å²	48.2	33%	0.331	29%	0.292	S	S	.	.			trans	-126.8	143	-180	66.5	0	0	0	0	110.9	Y222 E226 S227 I228	Y222-T224 HydrophobicContact CD2-CG2 4.42Å; Y222-T224 HydrophobicContact CE2-CG2 4.47Å; T224-E226 PolarHBondContact O-N 3.29Å; T224-S227 PolarHBondContact O-N 3.18Å; T224-S227 VanDerWaalsContact OG1-CB 3.24Å; T224-S227 WeakPolarHBondContact OG1-CB 3.38Å; T224-S227 PolarHBondContact OG1-N 3.01Å; T224-I228 WeakPolarHBondContact O-CG1 3.29Å; T224-I228 PolarHBondContact O-N 3.17Å
225	D	97.9	Very high	96.4	Very high	74 Å²	74	45.5 Å²	45.5	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-57.4	-36.9	176.9	-71.2	-3.4	0	0	0	111.9	I228 S229 R261 I265	D225-I228 PolarHBondContact O-N 2.96Å; D225-S229 VanDerWaalsContact O-CB 3.24Å; D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.21Å; D225-S229 PolarHBondContact O-OG 3.45Å; D225-R261 VanDerWaalsContact CG-NE 3.32Å; D225-R261 VanDerWaalsContact CG-NH2 3.31Å; D225-R261 WeakPolarHBondContact OD1-CG 3.45Å; D225-R261 IonicContact OD1-CZ 3.63Å; D225-R261 IonicContact OD1-NE 3.4Å; D225-R261 PolarHBondContact OD1-NE 2.88Å; D225-R261 IonicContact OD1-NH2 2.79Å; D225-R261 IonicContact OD2-CZ 3.22Å; D225-R261 IonicContact OD2-NE 3.57Å; D225-R261 PolarHBondContact OD2-NE 3.06Å; D225-R261 VanDerWaalsContact OD2-NE 3.14Å; D225-R261 IonicContact OD2-NH2 3.53Å; D225-R261 PolarHBondContact OD2-NH2 2.96Å; D225-I265 HydrophobicContact CB-CD1 3.98Å
226	E	94.3	Very high	96.4	Very high	167 Å²	167	42.7 Å²	42.7	78%	0.78	24%	0.241	S	C	*	.	H	α-helix	trans	-58.5	-47.9	174.3	-176.8	-174.3	170	0	0	111.5	T224 S229 G230	T224-E226 PolarHBondContact O-N 3.29Å; E226-S229 PolarHBondContact O-N 2.78Å; E226-G230 PolarHBondContact O-N 2.9Å
227	S	93	Very high	96	Very high	28 Å²	28	44.9 Å²	44.9	20%	0.196	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-42.4	-179.6	-172.7	0	0	0	0	112	H173 H175 T224 S229 G230 F231	H173-S227 PolarHBondContact NE2-O 3.36Å; H173-S227 PolarHBondContact NE2-OG 2.89Å; H175-S227 WeakPolarHBondContact CB-OG 3.31Å; H175-S227 PolarHBondContact ND1-OG 3.47Å; T224-S227 PolarHBondContact O-N 3.18Å; T224-S227 VanDerWaalsContact OG1-CB 3.24Å; T224-S227 WeakPolarHBondContact OG1-CB 3.38Å; T224-S227 PolarHBondContact OG1-N 3.01Å; S227-S229 VanDerWaalsContact C-N 3.32Å; S227-S229 PolarHBondContact O-N 3.35Å; S227-G230 PolarHBondContact O-N 2.87Å; S227-F231 WeakPolarHBondContact O-CB 3.47Å; S227-F231 PolarHBondContact O-N 3.27Å
228	I	97.2	Very high	95.8	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-41.1	177.1	-62.3	168.6	0	0	0	110.3	N223 T224 D225 F231 A232 F262 I265	N223-I228 HydrophobicContact CB-CD1 4.32Å; T224-I228 WeakPolarHBondContact O-CG1 3.29Å; T224-I228 PolarHBondContact O-N 3.17Å; D225-I228 PolarHBondContact O-N 2.96Å; I228-F231 WeakPolarHBondContact O-CB 3.39Å; I228-F231 PolarHBondContact O-N 3.13Å; I228-A232 PolarHBondContact O-N 2.89Å; I228-F262 HydrophobicContact CD1-CD1 4.37Å; I228-F262 HydrophobicContact CD1-CD2 3.81Å; I228-F262 HydrophobicContact CD1-CE1 4.22Å; I228-F262 HydrophobicContact CD1-CE2 3.62Å; I228-F262 HydrophobicContact CD1-CG 4.19Å; I228-F262 HydrophobicContact CD1-CZ 3.86Å; I228-F262 HydrophobicContact CG1-CD1 4.15Å; I228-F262 HydrophobicContact CG1-CD2 4.42Å; I228-F262 HydrophobicContact CG1-CE1 3.78Å; I228-F262 HydrophobicContact CG1-CE2 4.06Å; I228-F262 HydrophobicContact CG1-CG 4.47Å; I228-F262 HydrophobicContact CG1-CZ 3.74Å; I228-F262 HydrophobicContact CG2-CD1 3.88Å; I228-F262 HydrophobicContact CG2-CE1 4.26Å; I228-F262 HydrophobicContact CG2-CG 4.22Å; I228-I265 HydrophobicContact CB-CD1 3.91Å; I228-I265 HydrophobicContact CD1-CD1 4.23Å; I228-I265 HydrophobicContact CG2-CB 3.94Å; I228-I265 HydrophobicContact CG2-CD1 3.79Å; I228-I265 HydrophobicContact CG2-CG1 4.45Å; I228-I265 HydrophobicContact CG2-CG2 3.85Å
229	S	95.8	Very high	95.7	Very high	34 Å²	34	40.6 Å²	40.6	24%	0.238	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-46	177.7	-59.6	0	0	0	0	111.7	D225 E226 S227 F231 A232 H233	D225-S229 VanDerWaalsContact O-CB 3.24Å; D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.21Å; D225-S229 PolarHBondContact O-OG 3.45Å; E226-S229 PolarHBondContact O-N 2.78Å; S227-S229 VanDerWaalsContact C-N 3.32Å; S227-S229 PolarHBondContact O-N 3.35Å; S229-F231 VanDerWaalsContact C-N 3.29Å; S229-F231 PolarHBondContact O-N 3.31Å; S229-A232 PolarHBondContact O-N 3.46Å; S229-H233 PolarHBondContact O-CD2 3.06Å; S229-H233 PolarHBondContact O-N 3.17Å
230	G	93	Very high	95.5	Very high	15 Å²	15	38 Å²	38	16%	0.155	20%	0.201	C	C	.	.	H	α-helix	trans	-60.7	-38.5	175.3	0	0	0	0	0	112.8	E226 S227 S234	E226-G230 PolarHBondContact O-N 2.9Å; S227-G230 PolarHBondContact O-N 2.87Å; G230-S234 WeakPolarHBondContact O-CB 3.35Å; G230-S234 PolarHBondContact O-N 3.41Å; G230-S234 VanDerWaalsContact O-N 3.08Å; G230-S234 PolarHBondContact O-OG 2.69Å
231	F	95.6	Very high	95.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-49.9	172.8	170.1	-126.4	0	0	0	112.1	T146 G171 H173 S227 I228 S229 H233 S234 C235 F266 A307 C308	T146-F231 HydrophobicContact CG2-CD2 3.56Å; T146-F231 HydrophobicContact CG2-CE2 3.63Å; T146-F231 WeakPolarHBondContact OG1-CD2 3.3Å; G171-F231 WeakPolarHBondContact O-CE2 3.4Å; H173-F231 HydrophobicContact CB-CD1 3.73Å; H173-F231 HydrophobicContact CB-CD2 3.91Å; H173-F231 HydrophobicContact CB-CE1 3.78Å; H173-F231 HydrophobicContact CB-CE2 3.96Å; H173-F231 HydrophobicContact CB-CG 3.8Å; H173-F231 HydrophobicContact CB-CZ 3.89Å; H173-F231 AromaticContact CD2-CG 3.81Å; H173-F231 AromaticContact CG-CD1 3.88Å; H173-F231 AromaticContact CG-CG 3.91Å; S227-F231 WeakPolarHBondContact O-CB 3.47Å; S227-F231 PolarHBondContact O-N 3.27Å; I228-F231 WeakPolarHBondContact O-CB 3.39Å; I228-F231 PolarHBondContact O-N 3.13Å; S229-F231 VanDerWaalsContact C-N 3.29Å; S229-F231 PolarHBondContact O-N 3.31Å; F231-H233 PolarHBondContact O-N 2.71Å; F231-S234 WeakPolarHBondContact O-CB 3.43Å; F231-S234 PolarHBondContact O-N 2.73Å; F231-C235 WeakPolarHBondContact CE2-SG 3.45Å; F231-C235 PolarHBondContact O-N 3.07Å; F231-F266 AromaticContact CD1-CE2 3.49Å; F231-F266 HydrophobicContact CD1-CE2 3.49Å; F231-F266 VanDerWaalsContact CD1-CE2 3.49Å; F231-F266 AromaticContact CD1-CZ 3.51Å; F231-F266 HydrophobicContact CD1-CZ 3.51Å; F231-F266 AromaticContact CE1-CE2 3.64Å; F231-F266 HydrophobicContact CE1-CE2 3.64Å; F231-F266 AromaticContact CE1-CZ 3.39Å; F231-F266 HydrophobicContact CE1-CZ 3.39Å; F231-F266 HydrophobicContact CG-CE2 4.45Å; F231-F266 HydrophobicContact CG-CZ 4.25Å; F231-F266 HydrophobicContact CZ-CZ 4.07Å; F231-A307 HydrophobicContact CE1-CB 4.27Å; F231-A307 HydrophobicContact CE2-CB 4.36Å; F231-A307 HydrophobicContact CZ-CB 3.65Å; F231-C308 WeakPolarHBondContact CZ-O 3.35Å
232	A	96.9	Very high	94.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.1	-52.3	176.2	0	0	0	0	0	112	I228 S229 S234 C235 F236 F266 I269	I228-A232 PolarHBondContact O-N 2.89Å; S229-A232 PolarHBondContact O-N 3.46Å; A232-S234 VanDerWaalsContact C-N 3.29Å; A232-S234 PolarHBondContact O-N 3.33Å; A232-C235 PolarHBondContact O-N 3.08Å; A232-C235 VanDerWaalsContact O-N 3.15Å; A232-F236 HydrophobicContact CB-CD2 4.29Å; A232-F236 HydrophobicContact CB-CE2 3.99Å; A232-F236 WeakPolarHBondContact O-CD2 3.41Å; A232-F236 PolarHBondContact O-N 3.12Å; A232-F266 VanDerWaalsContact CA-CZ 3.47Å; A232-F266 HydrophobicContact CB-CD1 4.08Å; A232-F266 HydrophobicContact CB-CD2 3.69Å; A232-F266 HydrophobicContact CB-CE1 4.02Å; A232-F266 HydrophobicContact CB-CE2 3.62Å; A232-F266 HydrophobicContact CB-CG 3.93Å; A232-F266 HydrophobicContact CB-CZ 3.79Å; A232-I269 HydrophobicContact CB-CD1 3.71Å; A232-I269 HydrophobicContact CB-CG2 4.48Å
233	H	94.1	Very high	94.8	Very high	48 Å²	48	42.8 Å²	42.8	22%	0.222	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-45.2	178	-81.1	-67.3	0	0	0	111.9	S229 F231 C235 F236 Q237 H273 Y274	S229-H233 PolarHBondContact O-CD2 3.06Å; S229-H233 PolarHBondContact O-N 3.17Å; F231-H233 PolarHBondContact O-N 2.71Å; H233-C235 PolarHBondContact O-N 3.47Å; H233-F236 PolarHBondContact O-N 3.29Å; H233-Q237 WeakPolarHBondContact O-CB 3.32Å; H233-Q237 WeakPolarHBondContact O-CG 3.41Å; H233-Q237 PolarHBondContact O-N 2.96Å; H233-H273 AromaticContact CE1-CD2 3.87Å; H233-Y274 AromaticContact ND1-CE2 3.39Å; H233-Y274 WeakPolarHBondContact ND1-CE2 3.48Å; H233-Y274 AromaticContact ND1-CZ 3.51Å; H233-Y274 PolarHBondContact ND1-OH 3.07Å
234	S	93	Very high	94.9	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	22%	0.216	C	C	.	.	H	α-helix	trans	-60.4	-46.1	177.9	-55.7	0	0	0	0	111.7	T146 G230 F231 A232 Y238	T146-S234 WeakPolarHBondContact OG1-CB 3.18Å; T146-S234 PolarHBondContact OG1-OG 2.85Å; G230-S234 WeakPolarHBondContact O-CB 3.35Å; G230-S234 PolarHBondContact O-N 3.41Å; G230-S234 VanDerWaalsContact O-N 3.08Å; G230-S234 PolarHBondContact O-OG 2.69Å; F231-S234 WeakPolarHBondContact O-CB 3.43Å; F231-S234 PolarHBondContact O-N 2.73Å; A232-S234 VanDerWaalsContact C-N 3.29Å; A232-S234 PolarHBondContact O-N 3.33Å; S234-Y238 WeakPolarHBondContact O-CB 3.38Å; S234-Y238 PolarHBondContact O-N 2.81Å
235	C	96.1	Very high	95	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.6	-43.9	179.4	-73.3	0	0	0	0	113	F231 A232 H233 Y238 A239 L246 F266 A307	F231-C235 WeakPolarHBondContact CE2-SG 3.45Å; F231-C235 PolarHBondContact O-N 3.07Å; A232-C235 PolarHBondContact O-N 3.08Å; A232-C235 VanDerWaalsContact O-N 3.15Å; H233-C235 PolarHBondContact O-N 3.47Å; C235-Y238 PolarHBondContact O-N 3.31Å; C235-A239 WeakPolarHBondContact O-CB 3.21Å; C235-A239 PolarHBondContact O-N 2.88Å; C235-L246 HydrophobicContact CB-CD1 4.01Å; C235-L246 HydrophobicContact CB-CD2 3.94Å; C235-F266 HydrophobicContact CB-CE1 4.28Å; C235-A307 HydrophobicContact CB-CB 4.28Å
236	F	96.7	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.3	-44.9	177.6	-70.7	-60.3	0	0	0	112	A232 H233 Y238 A239 I240 L246 F266 I269 F270 Y274 F278 Y285	A232-F236 HydrophobicContact CB-CD2 4.29Å; A232-F236 HydrophobicContact CB-CE2 3.99Å; A232-F236 WeakPolarHBondContact O-CD2 3.41Å; A232-F236 PolarHBondContact O-N 3.12Å; H233-F236 PolarHBondContact O-N 3.29Å; F236-Y238 PolarHBondContact O-N 2.98Å; F236-A239 PolarHBondContact O-N 2.91Å; F236-I240 WeakPolarHBondContact O-CG1 3.46Å; F236-I240 PolarHBondContact O-N 2.95Å; F236-L246 HydrophobicContact CD1-CD2 3.43Å; F236-L246 VanDerWaalsContact CD1-CD2 3.43Å; F236-L246 HydrophobicContact CE1-CD2 3.54Å; F236-L246 HydrophobicContact CG-CD2 4.1Å; F236-L246 HydrophobicContact CZ-CD2 4.28Å; F236-F266 AromaticContact CE2-CD1 3.98Å; F236-F266 HydrophobicContact CE2-CD1 3.98Å; F236-F266 HydrophobicContact CZ-CB 4.44Å; F236-F266 AromaticContact CZ-CD1 3.81Å; F236-F266 HydrophobicContact CZ-CD1 3.81Å; F236-F266 HydrophobicContact CZ-CG 4.5Å; F236-F266 WeakPolarHBondContact CZ-O 3.49Å; F236-I269 HydrophobicContact CD2-CG2 3.75Å; F236-I269 HydrophobicContact CE2-CB 4.2Å; F236-I269 HydrophobicContact CE2-CG2 3.76Å; F236-F270 HydrophobicContact CD1-CD2 4.09Å; F236-F270 HydrophobicContact CE1-CB 3.9Å; F236-F270 AromaticContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CG 4.11Å; F236-F270 HydrophobicContact CE2-CB 4.3Å; F236-F270 HydrophobicContact CZ-CB 3.61Å; F236-F270 HydrophobicContact CZ-CD2 4.2Å; F236-F270 HydrophobicContact CZ-CG 4.31Å; F236-Y274 HydrophobicContact CB-CD1 3.86Å; F236-Y274 HydrophobicContact CB-CD2 3.39Å; F236-Y274 HydrophobicContact CB-CE1 4.01Å; F236-Y274 HydrophobicContact CB-CE2 3.55Å; F236-Y274 HydrophobicContact CB-CG 3.54Å; F236-Y274 HydrophobicContact CD1-CD2 4.25Å; F236-Y274 HydrophobicContact CD1-CG 4.4Å; F236-Y274 AromaticContact CD2-CD2 3.4Å; F236-Y274 HydrophobicContact CD2-CD2 3.4Å; F236-Y274 AromaticContact CD2-CE2 3.64Å; F236-Y274 HydrophobicContact CD2-CE2 3.64Å; F236-Y274 HydrophobicContact CD2-CG 4.28Å; F236-Y274 HydrophobicContact CE2-CD2 4.26Å; F236-Y274 AromaticContact CG-CD2 3.43Å; F236-Y274 HydrophobicContact CG-CD2 3.43Å; F236-Y274 VanDerWaalsContact CG-CD2 3.43Å; F236-Y274 AromaticContact CG-CE2 3.88Å; F236-Y274 HydrophobicContact CG-CE2 3.88Å; F236-Y274 AromaticContact CG-CG 3.85Å; F236-Y274 HydrophobicContact CG-CG 3.85Å; F236-F278 HydrophobicContact CB-CE2 4.21Å; F236-F278 HydrophobicContact CB-CZ 4.48Å; F236-F278 HydrophobicContact CD1-CE1 4.44Å; F236-F278 AromaticContact CD1-CE2 3.82Å; F236-F278 HydrophobicContact CD1-CE2 3.82Å; F236-F278 AromaticContact CD1-CZ 3.61Å; F236-F278 HydrophobicContact CD1-CZ 3.61Å; F236-F278 HydrophobicContact CE1-CZ 4.42Å; F236-F278 HydrophobicContact CG-CE2 4.49Å; F236-Y285 HydrophobicContact CE1-CD1 4.15Å; F236-Y285 AromaticContact CE1-CD2 3.76Å; F236-Y285 HydrophobicContact CE1-CD2 3.76Å; F236-Y285 HydrophobicContact CE1-CE2 4.37Å; F236-Y285 AromaticContact CE1-CG 3.65Å; F236-Y285 HydrophobicContact CE1-CG 3.65Å; F236-Y285 HydrophobicContact CZ-CD1 4.23Å; F236-Y285 HydrophobicContact CZ-CD2 4.14Å; F236-Y285 HydrophobicContact CZ-CE1 4.4Å; F236-Y285 HydrophobicContact CZ-CE2 4.32Å; F236-Y285 HydrophobicContact CZ-CG 4.12Å
237	Q	91.7	Very high	95.3	Very high	72 Å²	72	31.2 Å²	31.2	34%	0.336	15%	0.152	S	C	.	.	H	α-helix	trans	-61.7	-44.5	177.3	-69.3	169.8	22.8	0	0	111.6	H233 I240 Q241 Y274	H233-Q237 WeakPolarHBondContact O-CB 3.32Å; H233-Q237 WeakPolarHBondContact O-CG 3.41Å; H233-Q237 PolarHBondContact O-N 2.96Å; Q237-I240 PolarHBondContact O-N 3.4Å; Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 PolarHBondContact O-N 3.48Å; Q237-Y274 HydrophobicContact CG-CE1 4.07Å; Q237-Y274 PolarHBondContact NE2-OH 2.89Å
238	Y	92.3	Very high	95.6	Very high	29 Å²	29	29.9 Å²	29.9	11%	0.114	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-42.8	178.1	-166.8	-91.5	0	0	0	111.7	F148 E150 T169 S234 C235 F236 I240 Q241 K242 V305	F148-Y238 HydrophobicContact CB-CE2 4.42Å; F148-Y238 AromaticContact CD1-CD1 3.78Å; F148-Y238 HydrophobicContact CD1-CD1 3.78Å; F148-Y238 HydrophobicContact CD1-CD2 4.17Å; F148-Y238 HydrophobicContact CD1-CE1 4.1Å; F148-Y238 HydrophobicContact CD1-CE2 4.44Å; F148-Y238 AromaticContact CD1-CG 3.83Å; F148-Y238 HydrophobicContact CD1-CG 3.83Å; F148-Y238 HydrophobicContact CD2-CD2 4.23Å; F148-Y238 AromaticContact CE1-CD1 3.81Å; F148-Y238 HydrophobicContact CE1-CD1 3.81Å; F148-Y238 HydrophobicContact CE1-CD2 4.27Å; F148-Y238 AromaticContact CE1-CG 3.64Å; F148-Y238 HydrophobicContact CE1-CG 3.64Å; F148-Y238 HydrophobicContact CE2-CD2 4.33Å; F148-Y238 HydrophobicContact CE2-CG 4.37Å; F148-Y238 HydrophobicContact CG-CD1 4.49Å; F148-Y238 HydrophobicContact CG-CD2 4.14Å; F148-Y238 HydrophobicContact CG-CE2 4.24Å; F148-Y238 HydrophobicContact CG-CG 4.27Å; F148-Y238 HydrophobicContact CZ-CD2 4.35Å; F148-Y238 AromaticContact CZ-CG 3.94Å; F148-Y238 HydrophobicContact CZ-CG 3.94Å; E150-Y238 PolarHBondContact OE2-OH 2.87Å; T169-Y238 HydrophobicContact CG2-CD1 4.41Å; T169-Y238 HydrophobicContact CG2-CE1 3.55Å; S234-Y238 WeakPolarHBondContact O-CB 3.38Å; S234-Y238 PolarHBondContact O-N 2.81Å; C235-Y238 PolarHBondContact O-N 3.31Å; F236-Y238 PolarHBondContact O-N 2.98Å; Y238-I240 PolarHBondContact O-N 3.42Å; Y238-Q241 WeakPolarHBondContact O-CB 3.43Å; Y238-Q241 PolarHBondContact O-N 2.89Å; Y238-K242 HydrophobicContact CD1-CG 3.96Å; Y238-K242 HydrophobicContact CE1-CD 4.08Å; Y238-K242 HydrophobicContact CE1-CG 3.6Å; Y238-K242 WeakPolarHBondContact O-CG 3.45Å; Y238-K242 PolarHBondContact O-N 2.94Å; Y238-V305 HydrophobicContact CD1-CG1 4.3Å; Y238-V305 HydrophobicContact CD1-CG2 3.84Å; Y238-V305 HydrophobicContact CE1-CG2 4.29Å
239	A	96.5	Very high	95.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.8	-42.9	176.3	0	0	0	0	0	112.6	C235 F236 K242 K243 W244 L246 F278 V305	C235-A239 WeakPolarHBondContact O-CB 3.21Å; C235-A239 PolarHBondContact O-N 2.88Å; F236-A239 PolarHBondContact O-N 2.91Å; A239-K242 PolarHBondContact O-N 3.26Å; A239-K243 WeakPolarHBondContact O-CA 3.5Å; A239-K243 PolarHBondContact O-N 3.08Å; A239-W244 PolarHBondContact O-N 2.94Å; A239-L246 HydrophobicContact CB-CB 3.96Å; A239-F278 HydrophobicContact CB-CE1 4.42Å; A239-F278 HydrophobicContact CB-CZ 3.81Å; A239-V305 HydrophobicContact CB-CB 4.4Å; A239-V305 HydrophobicContact CB-CG2 4.08Å
240	I	95.7	Very high	95.8	Very high	33 Å²	33	28.1 Å²	28.1	17%	0.169	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-44.9	174.2	-70.7	165.2	0	0	0	110.9	F236 Q237 Y238 K242 K243 Y274 D277 F278 I283	F236-I240 WeakPolarHBondContact O-CG1 3.46Å; F236-I240 PolarHBondContact O-N 2.95Å; Q237-I240 PolarHBondContact O-N 3.4Å; Y238-I240 PolarHBondContact O-N 3.42Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.42Å; I240-K243 PolarHBondContact O-N 2.98Å; I240-Y274 HydrophobicContact CD1-CD1 3.58Å; I240-Y274 HydrophobicContact CD1-CE1 4.25Å; I240-Y274 HydrophobicContact CD1-CG 4.45Å; I240-D277 HydrophobicContact CD1-CB 3.86Å; I240-D277 HydrophobicContact CG1-CB 4.47Å; I240-F278 HydrophobicContact CD1-CD2 3.82Å; I240-F278 HydrophobicContact CD1-CE2 3.66Å; I240-F278 HydrophobicContact CG1-CD2 3.65Å; I240-F278 HydrophobicContact CG1-CE2 3.42Å; I240-F278 VanDerWaalsContact CG1-CE2 3.42Å; I240-F278 HydrophobicContact CG1-CZ 4.36Å; I240-I283 HydrophobicContact CG1-CD1 4.47Å
241	Q	89.7	Confident	96	Very high	123 Å²	123	30.4 Å²	30.4	58%	0.575	14%	0.137	S	C	*	.	H	α-helix	trans	-58.5	-45	178.4	-175.7	-175.6	25.8	0	0	111.4	Q237 Y238 K243	Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 PolarHBondContact O-N 3.48Å; Y238-Q241 WeakPolarHBondContact O-CB 3.43Å; Y238-Q241 PolarHBondContact O-N 2.89Å; Q241-K243 VanDerWaalsContact C-N 3.27Å; Q241-K243 PolarHBondContact O-N 3.18Å
242	K	91.6	Very high	96.1	Very high	57 Å²	57	31.8 Å²	31.8	25%	0.248	14%	0.144	C	C	.	.	H	α-helix	trans	-75.7	-14.3	177.7	-62.3	-68.1	-64.2	-150.9	0	113.3	E150 Y238 A239 I240 W244	E150-K242 IonicContact OE1-NZ 3.66Å; E150-K242 PolarHBondContact OE1-NZ 2.76Å; E150-K242 IonicContact OE2-NZ 3.47Å; E150-K242 PolarHBondContact OE2-NZ 3.32Å; Y238-K242 HydrophobicContact CD1-CG 3.96Å; Y238-K242 HydrophobicContact CE1-CD 4.08Å; Y238-K242 HydrophobicContact CE1-CG 3.6Å; Y238-K242 WeakPolarHBondContact O-CG 3.45Å; Y238-K242 PolarHBondContact O-N 2.94Å; A239-K242 PolarHBondContact O-N 3.26Å; I240-K242 VanDerWaalsContact C-N 3.32Å; I240-K242 PolarHBondContact O-N 3.42Å; K242-W244 HydrophobicContact CB-CB 4.11Å; K242-W244 HydrophobicContact CB-CD2 3.9Å; K242-W244 HydrophobicContact CB-CE3 4.09Å; K242-W244 HydrophobicContact CB-CG 3.92Å; K242-W244 HydrophobicContact CG-CE3 4.41Å; K242-W244 VanDerWaalsContact O-CD1 3.32Å; K242-W244 PolarHBondContact O-N 3.41Å
243	K	97.3	Very high	96.1	Very high	127 Å²	127	34.9 Å²	34.9	55%	0.552	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	45.3	-167.6	-57.6	-177.5	178.4	63	0	111.5	A239 I240 Q241 N281 I283	A239-K243 WeakPolarHBondContact O-CA 3.5Å; A239-K243 PolarHBondContact O-N 3.08Å; I240-K243 PolarHBondContact O-N 2.98Å; Q241-K243 VanDerWaalsContact C-N 3.27Å; Q241-K243 PolarHBondContact O-N 3.18Å; K243-N281 WeakPolarHBondContact CE-OD1 3.42Å; K243-I283 WeakPolarHBondContact O-CG2 3.19Å
244	W	98.3	Very high	96.3	Very high	49 Å²	49	38.3 Å²	38.3	19%	0.186	18%	0.182	C	C	.	.			trans	-119.1	149.7	-179.4	-74.4	-6.3	0	0	0	111.5	P167 A239 K242 I283 V305	P167-W244 HydrophobicContact CB-CH2 3.89Å; P167-W244 HydrophobicContact CB-CZ3 4.38Å; P167-W244 HydrophobicContact CG-CH2 4Å; A239-W244 PolarHBondContact O-N 2.94Å; K242-W244 HydrophobicContact CB-CB 4.11Å; K242-W244 HydrophobicContact CB-CD2 3.9Å; K242-W244 HydrophobicContact CB-CE3 4.09Å; K242-W244 HydrophobicContact CB-CG 3.92Å; K242-W244 HydrophobicContact CG-CE3 4.41Å; K242-W244 VanDerWaalsContact O-CD1 3.32Å; K242-W244 PolarHBondContact O-N 3.41Å; W244-I283 WeakPolarHBondContact O-CD1 3.35Å; W244-V305 HydrophobicContact CB-CG2 4.47Å; W244-V305 HydrophobicContact CE3-CG2 4.45Å
245	P	98.7	Very high	96.6	Very high	15 Å²	15	42 Å²	42	10%	0.097	20%	0.201	C	C	.	.			trans	-59	152.8	169.9	-21.4	33.1	0	0	0	112.2	Y247 W284 F304 V305	P245-Y247 HydrophobicContact CB-CE2 4.26Å; P245-W284 WeakPolarHBondContact CA-O 3.42Å; P245-W284 HydrophobicContact CB-CD2 3.88Å; P245-W284 HydrophobicContact CB-CE3 4.36Å; P245-W284 HydrophobicContact CB-CG 4.27Å; P245-W284 HydrophobicContact CB-CH2 4.41Å; P245-W284 HydrophobicContact CB-CZ2 3.93Å; P245-W284 HydrophobicContact CG-CD2 3.96Å; P245-W284 HydrophobicContact CG-CE3 3.96Å; P245-W284 HydrophobicContact CG-CH2 3.62Å; P245-W284 HydrophobicContact CG-CZ2 3.61Å; P245-W284 HydrophobicContact CG-CZ3 3.8Å; P245-F304 HydrophobicContact CB-CB 4.48Å; P245-F304 WeakPolarHBondContact O-CA 3.36Å; P245-F304 WeakPolarHBondContact O-CB 3.27Å; P245-V305 PolarHBondContact O-N 2.84Å
246	L	98.8	Very high	96.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.7	177	178.4	65.1	0	0	0	110.7	C235 F236 A239 F278 W284 Y285 E286 V305 A307	C235-L246 HydrophobicContact CB-CD1 4.01Å; C235-L246 HydrophobicContact CB-CD2 3.94Å; F236-L246 HydrophobicContact CD1-CD2 3.43Å; F236-L246 VanDerWaalsContact CD1-CD2 3.43Å; F236-L246 HydrophobicContact CE1-CD2 3.54Å; F236-L246 HydrophobicContact CG-CD2 4.1Å; F236-L246 HydrophobicContact CZ-CD2 4.28Å; A239-L246 HydrophobicContact CB-CB 3.96Å; L246-F278 HydrophobicContact CB-CE1 4.07Å; L246-F278 HydrophobicContact CB-CZ 4.26Å; L246-W284 PolarHBondContact N-O 3.27Å; L246-Y285 HydrophobicContact CB-CD2 4.35Å; L246-Y285 HydrophobicContact CD2-CD2 4.03Å; L246-Y285 HydrophobicContact CG-CD2 4.08Å; L246-Y285 CarbonylContact O-C 3.47Å; L246-Y285 VanDerWaalsContact O-CA 3.31Å; L246-Y285 WeakPolarHBondContact O-CA 3.34Å; L246-E286 PolarHBondContact O-N 2.81Å; L246-V305 WeakPolarHBondContact CA-O 3.29Å; L246-V305 HydrophobicContact CD1-CB 3.73Å; L246-V305 HydrophobicContact CD1-CG1 3.59Å; L246-A307 HydrophobicContact CD1-CB 4.14Å
247	Y	98.9	Very high	96.8	Very high	17 Å²	17	53.5 Å²	53.5	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.1	169.5	-62.1	-82.3	0	0	0	110.3	P245 W284 E286 R288 M293 F304 V305 W306 A307	P245-Y247 HydrophobicContact CB-CE2 4.26Å; Y247-W284 AromaticContact CE1-NE1 3.9Å; Y247-W284 AromaticContact CZ-NE1 3.57Å; Y247-W284 PolarHBondContact OH-NE1 2.65Å; Y247-E286 CarbonylContact C-O 3.41Å; Y247-E286 VanDerWaalsContact CA-O 3.27Å; Y247-E286 WeakPolarHBondContact CA-O 3.2Å; Y247-E286 HydrophobicContact CD1-CB 3.88Å; Y247-E286 HydrophobicContact CE1-CB 3.96Å; Y247-E286 WeakPolarHBondContact CE1-OE2 3.47Å; Y247-R288 HydrophobicContact CD1-CG 4.46Å; Y247-M293 VanDerWaalsContact CB-CE 3.49Å; Y247-M293 HydrophobicContact CD1-SD 4.39Å; Y247-M293 HydrophobicContact CD2-CE 4Å; Y247-M293 HydrophobicContact CG-CE 3.82Å; Y247-M293 HydrophobicContact CG-SD 4.07Å; Y247-F304 HydrophobicContact CD2-CB 3.94Å; Y247-F304 AromaticContact CD2-CD2 3.73Å; Y247-F304 HydrophobicContact CD2-CD2 3.73Å; Y247-F304 HydrophobicContact CD2-CE2 4.45Å; Y247-F304 AromaticContact CD2-CG 3.9Å; Y247-F304 HydrophobicContact CD2-CG 3.9Å; Y247-F304 HydrophobicContact CE2-CB 3.78Å; Y247-F304 HydrophobicContact CE2-CD1 4.37Å; Y247-F304 HydrophobicContact CE2-CD2 4.14Å; Y247-F304 AromaticContact CE2-CG 3.85Å; Y247-F304 HydrophobicContact CE2-CG 3.85Å; Y247-V305 PolarHBondContact N-O 3.09Å; Y247-W306 CarbonylContact O-C 3.56Å; Y247-W306 WeakPolarHBondContact O-CA 3.33Å; Y247-A307 PolarHBondContact O-N 3.39Å
248	M	98.8	Very high	97.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.3	170	-170.2	-80	-81.3	0	0	109.9	T250 F262 K263 F266 Y285 E286 H287 R288 A307	M248-T250 HydrophobicContact CE-CG2 3.7Å; M248-T250 HydrophobicContact SD-CG2 3.27Å; M248-T250 WeakPolarHBondContact SD-CG2 3.34Å; M248-F262 HydrophobicContact CE-CB 4.03Å; M248-F262 WeakPolarHBondContact CE-O 3.22Å; M248-K263 HydrophobicContact CE-CB 4.29Å; M248-F266 HydrophobicContact CB-CD1 4.01Å; M248-F266 HydrophobicContact CB-CE1 4.04Å; M248-F266 HydrophobicContact CE-CB 4.23Å; M248-F266 HydrophobicContact CE-CD2 4.08Å; M248-F266 HydrophobicContact CE-CG 4.09Å; M248-F266 HydrophobicContact CG-CD1 3.96Å; M248-F266 HydrophobicContact CG-CD2 4.25Å; M248-F266 HydrophobicContact CG-CE1 3.8Å; M248-F266 HydrophobicContact CG-CE2 4.11Å; M248-F266 HydrophobicContact CG-CG 4.18Å; M248-F266 HydrophobicContact CG-CZ 3.88Å; M248-Y285 HydrophobicContact CB-CE2 3.9Å; M248-E286 PolarHBondContact N-O 2.89Å; M248-H287 WeakPolarHBondContact O-CA 3.24Å; M248-R288 PolarHBondContact O-N 2.79Å; M248-A307 WeakPolarHBondContact CA-O 3.23Å; M248-A307 HydrophobicContact CB-CB 3.98Å; M248-A307 HydrophobicContact CG-CB 3.88Å
249	S	98.8	Very high	97.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.2	-175.9	58.4	0	0	0	0	113.5	R288 W306 A307	S249-R288 VanDerWaalsContact CA-O 3.31Å; S249-R288 WeakPolarHBondContact CA-O 3.4Å; S249-W306 PolarHBondContact OG-NE1 3.44Å; S249-A307 PolarHBondContact N-O 2.91Å; S249-A307 VanDerWaalsContact N-O 3.13Å
250	T	98.8	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	177.4	174.1	73.9	0	0	0	0	112.1	M248 N252 D259 F262 H287 R288 L289 I290	M248-T250 HydrophobicContact CE-CG2 3.7Å; M248-T250 HydrophobicContact SD-CG2 3.27Å; M248-T250 WeakPolarHBondContact SD-CG2 3.34Å; T250-N252 PolarHBondContact OG1-N 2.86Å; T250-N252 PolarHBondContact OG1-OD1 2.88Å; T250-D259 HydrophobicContact CG2-CB 4.43Å; T250-F262 HydrophobicContact CG2-CB 4.13Å; T250-H287 PolarHBondContact OG1-NE2 3.4Å; T250-R288 PolarHBondContact N-O 3.03Å; T250-L289 CarbonylContact O-C 3.5Å; T250-L289 WeakPolarHBondContact O-CA 3.37Å; T250-I290 PolarHBondContact O-N 3.12Å
251	K	98.6	Very high	97.6	Very high	63 Å²	63	54.3 Å²	54.3	27%	0.274	27%	0.268	S	S	.	.			trans	-113.8	44.9	163.8	-155.1	76.2	-173	178.5	0	112.2	T253 I254 L255 D259 I290 D291	K251-T253 PolarHBondContact O-N 3.49Å; K251-T253 VanDerWaalsContact O-N 3.08Å; K251-I254 HydrophobicContact CG-CB 4.05Å; K251-I254 HydrophobicContact CG-CG1 3.79Å; K251-I254 PolarHBondContact O-N 3.42Å; K251-L255 PolarHBondContact O-N 3.31Å; K251-D259 WeakPolarHBondContact CA-OD2 3.27Å; K251-D259 PolarHBondContact N-OD2 3.15Å; K251-I290 HydrophobicContact CB-CG2 4.25Å; K251-I290 HydrophobicContact CD-CG2 3.6Å; K251-D291 IonicContact NZ-OD1 3.64Å; K251-D291 PolarHBondContact NZ-OD1 3.28Å; K251-D291 IonicContact NZ-OD2 3.82Å; K251-D291 PolarHBondContact NZ-OD2 2.94Å
252	N	97.7	Very high	98.1	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-13	-178.3	75.6	-43.3	0	0	0	115.3	T250 I254 K256 D259 H287 L289	T250-N252 PolarHBondContact OG1-N 2.86Å; T250-N252 PolarHBondContact OG1-OD1 2.88Å; N252-I254 VanDerWaalsContact C-N 3.25Å; N252-I254 PolarHBondContact O-N 2.97Å; N252-K256 WeakPolarHBondContact O-CA 3.39Å; N252-D259 HydrophobicContact CB-CB 3.76Å; N252-H287 PolarHBondContact OD1-CE1 2.86Å; N252-L289 WeakPolarHBondContact OD1-CD2 3.37Å
253	T	96.8	Very high	98.4	Very high	65 Å²	65	49.4 Å²	49.4	40%	0.399	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.7	167.9	43.7	0	0	0	0	112.6	K251 K256 L289	K251-T253 PolarHBondContact O-N 3.49Å; K251-T253 VanDerWaalsContact O-N 3.08Å; T253-K256 PolarHBondContact O-NZ 3.42Å; T253-L289 HydrophobicContact CG2-CD1 3.79Å; T253-L289 HydrophobicContact CG2-CD2 3.81Å; T253-L289 HydrophobicContact CG2-CG 4.45Å
254	I	98.1	Very high	98.5	Very high	121 Å²	121	47 Å²	47	62%	0.621	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-57.4	177.6	-55.1	-57.5	0	0	0	109.9	K251 N252 K256	K251-I254 HydrophobicContact CG-CB 4.05Å; K251-I254 HydrophobicContact CG-CG1 3.79Å; K251-I254 PolarHBondContact O-N 3.42Å; N252-I254 VanDerWaalsContact C-N 3.25Å; N252-I254 PolarHBondContact O-N 2.97Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.17Å; I254-K256 VanDerWaalsContact O-N 3.07Å
255	L	98	Very high	98.5	Very high	79 Å²	79	44.8 Å²	44.8	41%	0.414	23%	0.23	S	C	.	.	S	Bend	trans	-88.6	65.4	-179.9	-62.7	-177.5	0	0	0	111.1	K251 A257 Y258 D259 G260	K251-L255 PolarHBondContact O-N 3.31Å; L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3Å; L255-Y258 PolarHBondContact O-N 3.45Å; L255-D259 HydrophobicContact CB-CB 3.94Å; L255-D259 WeakPolarHBondContact O-CB 3.41Å; L255-D259 PolarHBondContact O-N 3.48Å; L255-G260 PolarHBondContact O-N 3.32Å
256	K	98.2	Very high	98.5	Very high	155 Å²	155	44.1 Å²	44.1	67%	0.674	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-40	-169.2	-57.8	-174.1	-168.4	-58.2	0	114.1	N252 T253 I254 G260	N252-K256 WeakPolarHBondContact O-CA 3.39Å; T253-K256 PolarHBondContact O-NZ 3.42Å; I254-K256 VanDerWaalsContact C-N 3.3Å; I254-K256 PolarHBondContact O-N 3.17Å; I254-K256 VanDerWaalsContact O-N 3.07Å; K256-G260 VanDerWaalsContact O-CA 3.3Å; K256-G260 WeakPolarHBondContact O-CA 3.28Å; K256-G260 PolarHBondContact O-N 3.4Å
257	A	98.5	Very high	98.5	Very high	87 Å²	87	47.6 Å²	47.6	72%	0.719	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-56.5	176.2	0	0	0	0	0	111.8	L255 G260 R261	L255-A257 VanDerWaalsContact C-N 3.29Å; L255-A257 PolarHBondContact O-N 3Å; A257-G260 PolarHBondContact O-N 3.4Å; A257-R261 PolarHBondContact O-N 3Å
258	Y	98.7	Very high	98.5	Very high	59 Å²	59	52.1 Å²	52.1	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-53.6	-172.6	-165.6	-76.9	0	0	0	112.3	D177 M221 Y222 N223 L255 R261 F262	D177-Y258 WeakPolarHBondContact OD1-CE1 3.3Å; D177-Y258 PolarHBondContact OD1-OH 3.48Å; M221-Y258 HydrophobicContact CG-CE2 4.22Å; Y222-Y258 PolarHBondContact O-OH 3.12Å; N223-Y258 PolarHBondContact N-OH 2.75Å; L255-Y258 PolarHBondContact O-N 3.45Å; Y258-R261 PolarHBondContact O-N 3.25Å; Y258-F262 HydrophobicContact CD1-CE2 4.24Å; Y258-F262 AromaticContact CE1-CE2 3.9Å; Y258-F262 HydrophobicContact CE1-CE2 3.9Å; Y258-F262 WeakPolarHBondContact O-CD2 3.22Å
259	D	98.7	Very high	98.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-81.9	-23.3	179.6	-79.8	22.4	0	0	0	112	T250 K251 N252 L255 R261 F262 K263 K309	T250-D259 HydrophobicContact CG2-CB 4.43Å; K251-D259 WeakPolarHBondContact CA-OD2 3.27Å; K251-D259 PolarHBondContact N-OD2 3.15Å; N252-D259 HydrophobicContact CB-CB 3.76Å; L255-D259 HydrophobicContact CB-CB 3.94Å; L255-D259 WeakPolarHBondContact O-CB 3.41Å; L255-D259 PolarHBondContact O-N 3.48Å; D259-R261 VanDerWaalsContact C-N 3.26Å; D259-R261 PolarHBondContact O-N 2.8Å; D259-F262 PolarHBondContact O-N 2.92Å; D259-K263 PolarHBondContact O-N 3.03Å; D259-K309 WeakPolarHBondContact OD1-CE 3.34Å; D259-K309 IonicContact OD1-NZ 3.98Å; D259-K309 PolarHBondContact OD1-NZ 3.2Å; D259-K309 IonicContact OD2-NZ 2.65Å; D259-K309 PolarHBondContact OD2-NZ 2.69Å
260	G	98.7	Very high	98.5	Very high	7 Å²	7	53.5 Å²	53.5	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-57.1	-42.7	167.4	0	0	0	0	0	111.2	L255 K256 A257 F262 K263 D264	L255-G260 PolarHBondContact O-N 3.32Å; K256-G260 VanDerWaalsContact O-CA 3.3Å; K256-G260 WeakPolarHBondContact O-CA 3.28Å; K256-G260 PolarHBondContact O-N 3.4Å; A257-G260 PolarHBondContact O-N 3.4Å; G260-F262 VanDerWaalsContact C-N 3.33Å; G260-F262 PolarHBondContact O-N 2.9Å; G260-K263 WeakPolarHBondContact O-CB 3.42Å; G260-K263 PolarHBondContact O-N 3.4Å; G260-K263 VanDerWaalsContact O-N 3.08Å; G260-D264 PolarHBondContact O-N 3.29Å
261	R	98.8	Very high	98.5	Very high	83 Å²	83	57.8 Å²	57.8	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-60.6	-39.4	178.6	-165.4	69	-173.1	120.3	-3	113.1	D225 A257 Y258 D259 D264 I265 E268	D225-R261 VanDerWaalsContact CG-NE 3.32Å; D225-R261 VanDerWaalsContact CG-NH2 3.31Å; D225-R261 WeakPolarHBondContact OD1-CG 3.45Å; D225-R261 IonicContact OD1-CZ 3.63Å; D225-R261 IonicContact OD1-NE 3.4Å; D225-R261 PolarHBondContact OD1-NE 2.88Å; D225-R261 IonicContact OD1-NH2 2.79Å; D225-R261 IonicContact OD2-CZ 3.22Å; D225-R261 IonicContact OD2-NE 3.57Å; D225-R261 PolarHBondContact OD2-NE 3.06Å; D225-R261 VanDerWaalsContact OD2-NE 3.14Å; D225-R261 IonicContact OD2-NH2 3.53Å; D225-R261 PolarHBondContact OD2-NH2 2.96Å; A257-R261 PolarHBondContact O-N 3Å; Y258-R261 PolarHBondContact O-N 3.25Å; D259-R261 VanDerWaalsContact C-N 3.26Å; D259-R261 PolarHBondContact O-N 2.8Å; R261-D264 PolarHBondContact O-N 2.87Å; R261-I265 HydrophobicContact CG-CD1 3.86Å; R261-I265 HydrophobicContact CG-CG1 4.41Å; R261-I265 VanDerWaalsContact NH1-CG1 3.33Å; R261-I265 WeakPolarHBondContact O-CB 3.42Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.4Å; R261-I265 PolarHBondContact O-N 3.01Å; R261-E268 IonicContact NH1-OE1 2.77Å
262	F	98.8	Very high	98.5	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-48.2	172.8	-82.1	-100.1	0	0	0	111.8	H173 N223 I228 M248 T250 Y258 D259 G260 F266 K309	H173-F262 AromaticContact CE1-CE1 3.77Å; H173-F262 AromaticContact CE1-CZ 3.79Å; H173-F262 AromaticContact ND1-CE1 3.28Å; H173-F262 VanDerWaalsContact ND1-CE1 3.28Å; H173-F262 WeakPolarHBondContact ND1-CE1 3.4Å; H173-F262 AromaticContact ND1-CZ 3.47Å; H173-F262 WeakPolarHBondContact ND1-CZ 3.44Å; N223-F262 HydrophobicContact CB-CE2 4.45Å; N223-F262 HydrophobicContact CB-CZ 4.45Å; I228-F262 HydrophobicContact CD1-CD1 4.37Å; I228-F262 HydrophobicContact CD1-CD2 3.81Å; I228-F262 HydrophobicContact CD1-CE1 4.22Å; I228-F262 HydrophobicContact CD1-CE2 3.62Å; I228-F262 HydrophobicContact CD1-CG 4.19Å; I228-F262 HydrophobicContact CD1-CZ 3.86Å; I228-F262 HydrophobicContact CG1-CD1 4.15Å; I228-F262 HydrophobicContact CG1-CD2 4.42Å; I228-F262 HydrophobicContact CG1-CE1 3.78Å; I228-F262 HydrophobicContact CG1-CE2 4.06Å; I228-F262 HydrophobicContact CG1-CG 4.47Å; I228-F262 HydrophobicContact CG1-CZ 3.74Å; I228-F262 HydrophobicContact CG2-CD1 3.88Å; I228-F262 HydrophobicContact CG2-CE1 4.26Å; I228-F262 HydrophobicContact CG2-CG 4.22Å; M248-F262 HydrophobicContact CE-CB 4.03Å; M248-F262 WeakPolarHBondContact CE-O 3.22Å; T250-F262 HydrophobicContact CG2-CB 4.13Å; Y258-F262 HydrophobicContact CD1-CE2 4.24Å; Y258-F262 AromaticContact CE1-CE2 3.9Å; Y258-F262 HydrophobicContact CE1-CE2 3.9Å; Y258-F262 WeakPolarHBondContact O-CD2 3.22Å; D259-F262 PolarHBondContact O-N 2.92Å; G260-F262 VanDerWaalsContact C-N 3.33Å; G260-F262 PolarHBondContact O-N 2.9Å; F262-F266 WeakPolarHBondContact O-CB 3.45Å; F262-F266 VanDerWaalsContact O-CD2 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.22Å; F262-F266 PolarHBondContact O-N 2.82Å; F262-F266 VanDerWaalsContact O-N 3.11Å; F262-K309 HydrophobicContact CD1-CG 4.22Å; F262-K309 HydrophobicContact CE1-CG 4.03Å; F262-K309 HydrophobicContact CZ-CG 4.29Å
263	K	98.7	Very high	98.5	Very high	75 Å²	75	65.5 Å²	65.5	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-59.4	-49.2	178.2	-178.3	-169.7	174.5	-165.6	0	111.1	M248 D259 G260 F266 Q267 H287	M248-K263 HydrophobicContact CE-CB 4.29Å; D259-K263 PolarHBondContact O-N 3.03Å; G260-K263 WeakPolarHBondContact O-CB 3.42Å; G260-K263 PolarHBondContact O-N 3.4Å; G260-K263 VanDerWaalsContact O-N 3.08Å; K263-F266 PolarHBondContact O-N 2.82Å; K263-Q267 WeakPolarHBondContact O-CB 3.22Å; K263-Q267 PolarHBondContact O-N 2.99Å; K263-H287 HydrophobicContact CG-CB 4.26Å
264	D	98.8	Very high	98.5	Very high	78 Å²	78	63.5 Å²	63.5	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-46.5	-174.9	-62.6	-16.4	0	0	0	111.1	G260 R261 F266 Q267 E268	G260-D264 PolarHBondContact O-N 3.29Å; R261-D264 PolarHBondContact O-N 2.87Å; D264-F266 PolarHBondContact O-N 3.2Å; D264-Q267 PolarHBondContact O-N 3.44Å; D264-E268 WeakPolarHBondContact O-CB 3.45Å; D264-E268 VanDerWaalsContact O-CG 3.29Å; D264-E268 WeakPolarHBondContact O-CG 3.39Å; D264-E268 PolarHBondContact O-N 3.29Å
265	I	98.8	Very high	98.6	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-44.4	177.5	-69.7	173.8	0	0	0	111.5	D225 I228 R261 Q267 E268 I269	D225-I265 HydrophobicContact CB-CD1 3.98Å; I228-I265 HydrophobicContact CB-CD1 3.91Å; I228-I265 HydrophobicContact CD1-CD1 4.23Å; I228-I265 HydrophobicContact CG2-CB 3.94Å; I228-I265 HydrophobicContact CG2-CD1 3.79Å; I228-I265 HydrophobicContact CG2-CG1 4.45Å; I228-I265 HydrophobicContact CG2-CG2 3.85Å; R261-I265 HydrophobicContact CG-CD1 3.86Å; R261-I265 HydrophobicContact CG-CG1 4.41Å; R261-I265 VanDerWaalsContact NH1-CG1 3.33Å; R261-I265 WeakPolarHBondContact O-CB 3.42Å; R261-I265 VanDerWaalsContact O-CG1 3.28Å; R261-I265 WeakPolarHBondContact O-CG1 3.4Å; R261-I265 PolarHBondContact O-N 3.01Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.42Å; I265-E268 PolarHBondContact O-N 3.11Å; I265-I269 HydrophobicContact CG2-CD1 3.66Å; I265-I269 HydrophobicContact CG2-CG1 4.43Å; I265-I269 WeakPolarHBondContact O-CB 3.44Å; I265-I269 WeakPolarHBondContact O-CG1 3.47Å; I265-I269 PolarHBondContact O-N 3.35Å
266	F	98.8	Very high	98.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-42.1	177.1	-93.9	-109.5	0	0	0	111.6	F231 A232 C235 F236 M248 F262 K263 D264 F270 Y285 A307	F231-F266 AromaticContact CD1-CE2 3.49Å; F231-F266 HydrophobicContact CD1-CE2 3.49Å; F231-F266 VanDerWaalsContact CD1-CE2 3.49Å; F231-F266 AromaticContact CD1-CZ 3.51Å; F231-F266 HydrophobicContact CD1-CZ 3.51Å; F231-F266 AromaticContact CE1-CE2 3.64Å; F231-F266 HydrophobicContact CE1-CE2 3.64Å; F231-F266 AromaticContact CE1-CZ 3.39Å; F231-F266 HydrophobicContact CE1-CZ 3.39Å; F231-F266 HydrophobicContact CG-CE2 4.45Å; F231-F266 HydrophobicContact CG-CZ 4.25Å; F231-F266 HydrophobicContact CZ-CZ 4.07Å; A232-F266 VanDerWaalsContact CA-CZ 3.47Å; A232-F266 HydrophobicContact CB-CD1 4.08Å; A232-F266 HydrophobicContact CB-CD2 3.69Å; A232-F266 HydrophobicContact CB-CE1 4.02Å; A232-F266 HydrophobicContact CB-CE2 3.62Å; A232-F266 HydrophobicContact CB-CG 3.93Å; A232-F266 HydrophobicContact CB-CZ 3.79Å; C235-F266 HydrophobicContact CB-CE1 4.28Å; F236-F266 AromaticContact CE2-CD1 3.98Å; F236-F266 HydrophobicContact CE2-CD1 3.98Å; F236-F266 HydrophobicContact CZ-CB 4.44Å; F236-F266 AromaticContact CZ-CD1 3.81Å; F236-F266 HydrophobicContact CZ-CD1 3.81Å; F236-F266 HydrophobicContact CZ-CG 4.5Å; F236-F266 WeakPolarHBondContact CZ-O 3.49Å; M248-F266 HydrophobicContact CB-CD1 4.01Å; M248-F266 HydrophobicContact CB-CE1 4.04Å; M248-F266 HydrophobicContact CE-CB 4.23Å; M248-F266 HydrophobicContact CE-CD2 4.08Å; M248-F266 HydrophobicContact CE-CG 4.09Å; M248-F266 HydrophobicContact CG-CD1 3.96Å; M248-F266 HydrophobicContact CG-CD2 4.25Å; M248-F266 HydrophobicContact CG-CE1 3.8Å; M248-F266 HydrophobicContact CG-CE2 4.11Å; M248-F266 HydrophobicContact CG-CG 4.18Å; M248-F266 HydrophobicContact CG-CZ 3.88Å; F262-F266 WeakPolarHBondContact O-CB 3.45Å; F262-F266 VanDerWaalsContact O-CD2 3.29Å; F262-F266 WeakPolarHBondContact O-CD2 3.22Å; F262-F266 PolarHBondContact O-N 2.82Å; F262-F266 VanDerWaalsContact O-N 3.11Å; K263-F266 PolarHBondContact O-N 2.82Å; D264-F266 PolarHBondContact O-N 3.2Å; F266-F270 VanDerWaalsContact O-CB 3.27Å; F266-F270 WeakPolarHBondContact O-CB 3.33Å; F266-F270 PolarHBondContact O-N 3.47Å; F266-Y285 HydrophobicContact CB-CE1 4.37Å; F266-Y285 HydrophobicContact CB-CE2 4.46Å; F266-Y285 WeakPolarHBondContact CB-OH 3.46Å; F266-Y285 AromaticContact CD1-CE2 3.89Å; F266-Y285 HydrophobicContact CD1-CE2 3.89Å; F266-A307 HydrophobicContact CE1-CB 3.98Å; F266-A307 HydrophobicContact CZ-CB 4.09Å
267	Q	98.8	Very high	98.6	Very high	73 Å²	73	59.5 Å²	59.5	34%	0.341	30%	0.299	S	S	.	.	H	α-helix	trans	-65.3	-47.9	178.9	-171.7	63.3	58.3	0	0	111.6	K263 D264 I265 I269 F270 D271	K263-Q267 WeakPolarHBondContact O-CB 3.22Å; K263-Q267 PolarHBondContact O-N 2.99Å; D264-Q267 PolarHBondContact O-N 3.44Å; I265-Q267 VanDerWaalsContact C-N 3.31Å; I265-Q267 PolarHBondContact O-N 3.42Å; Q267-I269 VanDerWaalsContact C-N 3.34Å; Q267-I269 PolarHBondContact O-N 3.48Å; Q267-F270 PolarHBondContact O-N 3.02Å; Q267-D271 VanDerWaalsContact NE2-CG 3.3Å; Q267-D271 PolarHBondContact NE2-OD1 2.99Å; Q267-D271 VanDerWaalsContact NE2-OD1 3.1Å; Q267-D271 PolarHBondContact NE2-OD2 3.35Å; Q267-D271 PolarHBondContact O-N 3.32Å
268	E	98.7	Very high	98.6	Very high	112 Å²	112	55.4 Å²	55.4	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-56.4	-46.7	176.6	-73.5	169.4	-162.3	0	0	111.7	R261 D264 I265 K272	R261-E268 IonicContact NH1-OE1 2.77Å; D264-E268 WeakPolarHBondContact O-CB 3.45Å; D264-E268 VanDerWaalsContact O-CG 3.29Å; D264-E268 WeakPolarHBondContact O-CG 3.39Å; D264-E268 PolarHBondContact O-N 3.29Å; I265-E268 PolarHBondContact O-N 3.11Å; E268-K272 VanDerWaalsContact O-CB 3.24Å; E268-K272 WeakPolarHBondContact O-CB 3.4Å; E268-K272 PolarHBondContact O-N 2.87Å; E268-K272 VanDerWaalsContact O-N 3.13Å
269	I	98.4	Very high	98.6	Very high	13 Å²	13	56.9 Å²	56.9	7%	0.067	28%	0.277	C	S	.	.	H	α-helix	trans	-67.7	-41.3	179	-71.9	171.6	0	0	0	111.2	A232 F236 I265 Q267 H273 Y274	A232-I269 HydrophobicContact CB-CD1 3.71Å; A232-I269 HydrophobicContact CB-CG2 4.48Å; F236-I269 HydrophobicContact CD2-CG2 3.75Å; F236-I269 HydrophobicContact CE2-CB 4.2Å; F236-I269 HydrophobicContact CE2-CG2 3.76Å; I265-I269 HydrophobicContact CG2-CD1 3.66Å; I265-I269 HydrophobicContact CG2-CG1 4.43Å; I265-I269 WeakPolarHBondContact O-CB 3.44Å; I265-I269 WeakPolarHBondContact O-CG1 3.47Å; I265-I269 PolarHBondContact O-N 3.35Å; Q267-I269 VanDerWaalsContact C-N 3.34Å; Q267-I269 PolarHBondContact O-N 3.48Å; I269-H273 WeakPolarHBondContact O-CB 3.17Å; I269-H273 PolarHBondContact O-N 3.49Å; I269-Y274 HydrophobicContact CG2-CD2 3.71Å; I269-Y274 HydrophobicContact CG2-CE2 3.49Å; I269-Y274 VanDerWaalsContact CG2-CE2 3.49Å
270	F	98.7	Very high	98.5	Very high	18 Å²	18	64.4 Å²	64.4	8%	0.079	31%	0.309	C	S	.	.	I	π-helix	trans	-58.7	-53.5	177.9	178.5	-113.1	0	0	0	111.4	F236 F266 Q267 K272 Y274 K275 F278 Y285	F236-F270 HydrophobicContact CD1-CD2 4.09Å; F236-F270 HydrophobicContact CE1-CB 3.9Å; F236-F270 AromaticContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CD2 3.57Å; F236-F270 HydrophobicContact CE1-CG 4.11Å; F236-F270 HydrophobicContact CE2-CB 4.3Å; F236-F270 HydrophobicContact CZ-CB 3.61Å; F236-F270 HydrophobicContact CZ-CD2 4.2Å; F236-F270 HydrophobicContact CZ-CG 4.31Å; F266-F270 VanDerWaalsContact O-CB 3.27Å; F266-F270 WeakPolarHBondContact O-CB 3.33Å; F266-F270 PolarHBondContact O-N 3.47Å; Q267-F270 PolarHBondContact O-N 3.02Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.83Å; F270-Y274 PolarHBondContact O-N 2.87Å; F270-K275 HydrophobicContact CD1-CB 4.36Å; F270-K275 HydrophobicContact CE1-CB 3.99Å; F270-K275 HydrophobicContact CE1-CD 4.28Å; F270-K275 HydrophobicContact CE1-CG 3.85Å; F270-K275 HydrophobicContact CE2-CB 4.32Å; F270-K275 HydrophobicContact CZ-CB 3.97Å; F270-K275 HydrophobicContact CZ-CG 3.88Å; F270-K275 PolarHBondContact O-N 3Å; F270-F278 HydrophobicContact CE2-CB 3.93Å; F270-F278 AromaticContact CE2-CD1 3.81Å; F270-F278 HydrophobicContact CE2-CD1 3.81Å; F270-F278 HydrophobicContact CE2-CD2 4.14Å; F270-F278 HydrophobicContact CE2-CE1 4.37Å; F270-F278 AromaticContact CE2-CG 3.7Å; F270-F278 HydrophobicContact CE2-CG 3.7Å; F270-F278 HydrophobicContact CZ-CB 4.36Å; F270-Y285 HydrophobicContact CB-CD1 3.89Å; F270-Y285 HydrophobicContact CB-CE1 4.38Å; F270-Y285 AromaticContact CD1-CD1 3.87Å; F270-Y285 HydrophobicContact CD1-CD1 3.87Å; F270-Y285 HydrophobicContact CD2-CD1 4.1Å; F270-Y285 HydrophobicContact CD2-CG 4.14Å; F270-Y285 HydrophobicContact CE1-CD1 4.43Å; F270-Y285 HydrophobicContact CE2-CG 4.49Å; F270-Y285 AromaticContact CG-CD1 3.67Å; F270-Y285 HydrophobicContact CG-CD1 3.67Å; F270-Y285 HydrophobicContact CG-CG 4.19Å
271	D	98.7	Very high	98.5	Very high	90 Å²	90	66.2 Å²	66.2	48%	0.481	32%	0.317	S	S	.	.	I	π-helix	trans	-63.9	-38	-176.2	-68.8	-28	0	0	0	111.7	Q267	Q267-D271 VanDerWaalsContact NE2-CG 3.3Å; Q267-D271 PolarHBondContact NE2-OD1 2.99Å; Q267-D271 VanDerWaalsContact NE2-OD1 3.1Å; Q267-D271 PolarHBondContact NE2-OD2 3.35Å; Q267-D271 PolarHBondContact O-N 3.32Å
272	K	98.6	Very high	98.5	Very high	164 Å²	164	71.1 Å²	71.1	71%	0.713	34%	0.341	S	S	*	.	I	π-helix	trans	-78.4	-37.8	-178.3	-174.7	176.9	172.9	-171.8	0	114	E268 F270	E268-K272 VanDerWaalsContact O-CB 3.24Å; E268-K272 WeakPolarHBondContact O-CB 3.4Å; E268-K272 PolarHBondContact O-N 2.87Å; E268-K272 VanDerWaalsContact O-N 3.13Å; F270-K272 VanDerWaalsContact C-N 3.31Å; F270-K272 PolarHBondContact O-N 2.83Å
273	H	97.7	Very high	98.5	Very high	92 Å²	92	71.6 Å²	71.6	43%	0.426	34%	0.344	S	S	.	.	I	π-helix	trans	-120.8	-27.8	-164.9	-66.9	-71.3	0	0	0	115.4	H233 I269	H233-H273 AromaticContact CE1-CD2 3.87Å; I269-H273 WeakPolarHBondContact O-CB 3.17Å; I269-H273 PolarHBondContact O-N 3.49Å
274	Y	98.1	Very high	98.5	Very high	23 Å²	23	74.1 Å²	74.1	9%	0.09	35%	0.351	C	S	.	.	I	π-helix	trans	-125.3	-21	-163.2	-64.4	-65.1	0	0	0	115	H233 F236 Q237 I240 I269 F270 T276 D277 F278	H233-Y274 AromaticContact ND1-CE2 3.39Å; H233-Y274 WeakPolarHBondContact ND1-CE2 3.48Å; H233-Y274 AromaticContact ND1-CZ 3.51Å; H233-Y274 PolarHBondContact ND1-OH 3.07Å; F236-Y274 HydrophobicContact CB-CD1 3.86Å; F236-Y274 HydrophobicContact CB-CD2 3.39Å; F236-Y274 HydrophobicContact CB-CE1 4.01Å; F236-Y274 HydrophobicContact CB-CE2 3.55Å; F236-Y274 HydrophobicContact CB-CG 3.54Å; F236-Y274 HydrophobicContact CD1-CD2 4.25Å; F236-Y274 HydrophobicContact CD1-CG 4.4Å; F236-Y274 AromaticContact CD2-CD2 3.4Å; F236-Y274 HydrophobicContact CD2-CD2 3.4Å; F236-Y274 AromaticContact CD2-CE2 3.64Å; F236-Y274 HydrophobicContact CD2-CE2 3.64Å; F236-Y274 HydrophobicContact CD2-CG 4.28Å; F236-Y274 HydrophobicContact CE2-CD2 4.26Å; F236-Y274 AromaticContact CG-CD2 3.43Å; F236-Y274 HydrophobicContact CG-CD2 3.43Å; F236-Y274 VanDerWaalsContact CG-CD2 3.43Å; F236-Y274 AromaticContact CG-CE2 3.88Å; F236-Y274 HydrophobicContact CG-CE2 3.88Å; F236-Y274 AromaticContact CG-CG 3.85Å; F236-Y274 HydrophobicContact CG-CG 3.85Å; Q237-Y274 HydrophobicContact CG-CE1 4.07Å; Q237-Y274 PolarHBondContact NE2-OH 2.89Å; I240-Y274 HydrophobicContact CD1-CD1 3.58Å; I240-Y274 HydrophobicContact CD1-CE1 4.25Å; I240-Y274 HydrophobicContact CD1-CG 4.45Å; I269-Y274 HydrophobicContact CG2-CD2 3.71Å; I269-Y274 HydrophobicContact CG2-CE2 3.49Å; I269-Y274 VanDerWaalsContact CG2-CE2 3.49Å; F270-Y274 PolarHBondContact O-N 2.87Å; Y274-T276 VanDerWaalsContact C-N 3.3Å; Y274-T276 PolarHBondContact O-N 2.9Å; Y274-D277 PolarHBondContact O-N 2.86Å; Y274-D277 VanDerWaalsContact O-N 3.1Å; Y274-F278 VanDerWaalsContact O-CD2 3.31Å; Y274-F278 WeakPolarHBondContact O-CD2 3.48Å; Y274-F278 PolarHBondContact O-N 3.41Å
275	K	98.5	Very high	98.5	Very high	86 Å²	86	71.4 Å²	71.4	37%	0.374	34%	0.335	S	S	.	.	H	α-helix	trans	-52.4	-46.2	-176.4	-172.7	179.9	-174.3	-55.7	0	112.8	F270 D277 F278 D279	F270-K275 HydrophobicContact CD1-CB 4.36Å; F270-K275 HydrophobicContact CE1-CB 3.99Å; F270-K275 HydrophobicContact CE1-CD 4.28Å; F270-K275 HydrophobicContact CE1-CG 3.85Å; F270-K275 HydrophobicContact CE2-CB 4.32Å; F270-K275 HydrophobicContact CZ-CB 3.97Å; F270-K275 HydrophobicContact CZ-CG 3.88Å; F270-K275 PolarHBondContact O-N 3Å; K275-D277 PolarHBondContact O-N 3.3Å; K275-F278 PolarHBondContact O-N 2.79Å; K275-D279 IonicContact NZ-OD1 2.69Å; K275-D279 IonicContact NZ-OD2 2.71Å; K275-D279 PolarHBondContact NZ-OD2 2.91Å; K275-D279 WeakPolarHBondContact O-CB 3.46Å; K275-D279 PolarHBondContact O-N 3.34Å
276	T	98.5	Very high	98.5	Very high	115 Å²	115	74.3 Å²	74.3	71%	0.706	35%	0.348	S	S	*	.	H	α-helix	trans	-61.4	-43	179.6	-56	0	0	0	0	112.9	Y274 K280	Y274-T276 VanDerWaalsContact C-N 3.3Å; Y274-T276 PolarHBondContact O-N 2.9Å; T276-K280 WeakPolarHBondContact O-CB 2.99Å; T276-K280 PolarHBondContact O-N 2.74Å
277	D	98	Very high	98.5	Very high	70 Å²	70	76 Å²	76	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-73.1	-32.9	178.9	-81.2	-25.5	0	0	0	112.1	I240 Y274 K275 N281	I240-D277 HydrophobicContact CD1-CB 3.86Å; I240-D277 HydrophobicContact CG1-CB 4.47Å; Y274-D277 PolarHBondContact O-N 2.86Å; Y274-D277 VanDerWaalsContact O-N 3.1Å; K275-D277 PolarHBondContact O-N 3.3Å; D277-N281 WeakPolarHBondContact O-CB 3.36Å; D277-N281 PolarHBondContact O-N 3.06Å; D277-N281 PolarHBondContact O-ND2 2.85Å
278	F	98.6	Very high	98.5	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.6	-48.7	172.1	-90.2	-118.3	0	0	0	111.2	F236 A239 I240 L246 F270 Y274 K275 K280 N281 K282 I283	F236-F278 HydrophobicContact CB-CE2 4.21Å; F236-F278 HydrophobicContact CB-CZ 4.48Å; F236-F278 HydrophobicContact CD1-CE1 4.44Å; F236-F278 AromaticContact CD1-CE2 3.82Å; F236-F278 HydrophobicContact CD1-CE2 3.82Å; F236-F278 AromaticContact CD1-CZ 3.61Å; F236-F278 HydrophobicContact CD1-CZ 3.61Å; F236-F278 HydrophobicContact CE1-CZ 4.42Å; F236-F278 HydrophobicContact CG-CE2 4.49Å; A239-F278 HydrophobicContact CB-CE1 4.42Å; A239-F278 HydrophobicContact CB-CZ 3.81Å; I240-F278 HydrophobicContact CD1-CD2 3.82Å; I240-F278 HydrophobicContact CD1-CE2 3.66Å; I240-F278 HydrophobicContact CG1-CD2 3.65Å; I240-F278 HydrophobicContact CG1-CE2 3.42Å; I240-F278 VanDerWaalsContact CG1-CE2 3.42Å; I240-F278 HydrophobicContact CG1-CZ 4.36Å; L246-F278 HydrophobicContact CB-CE1 4.07Å; L246-F278 HydrophobicContact CB-CZ 4.26Å; F270-F278 HydrophobicContact CE2-CB 3.93Å; F270-F278 AromaticContact CE2-CD1 3.81Å; F270-F278 HydrophobicContact CE2-CD1 3.81Å; F270-F278 HydrophobicContact CE2-CD2 4.14Å; F270-F278 HydrophobicContact CE2-CE1 4.37Å; F270-F278 AromaticContact CE2-CG 3.7Å; F270-F278 HydrophobicContact CE2-CG 3.7Å; F270-F278 HydrophobicContact CZ-CB 4.36Å; Y274-F278 VanDerWaalsContact O-CD2 3.31Å; Y274-F278 WeakPolarHBondContact O-CD2 3.48Å; Y274-F278 PolarHBondContact O-N 3.41Å; K275-F278 PolarHBondContact O-N 2.79Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 3.16Å; F278-N281 CarbonylContact O-C 3.58Å; F278-N281 PolarHBondContact O-N 2.93Å; F278-N281 VanDerWaalsContact O-N 3.15Å; F278-K282 PolarHBondContact O-N 3.06Å; F278-I283 CarbonylContact C-O 3.58Å; F278-I283 HydrophobicContact CB-CG1 4.01Å; F278-I283 HydrophobicContact CD1-CB 4.37Å; F278-I283 HydrophobicContact CD1-CD1 3.76Å; F278-I283 HydrophobicContact CD1-CG1 3.64Å; F278-I283 HydrophobicContact CD2-CD1 4.23Å; F278-I283 HydrophobicContact CE1-CD1 3.9Å; F278-I283 HydrophobicContact CE1-CG1 4.23Å; F278-I283 HydrophobicContact CE2-CD1 4.38Å; F278-I283 HydrophobicContact CG-CD1 3.92Å; F278-I283 HydrophobicContact CG-CG1 3.84Å; F278-I283 HydrophobicContact CZ-CD1 4.19Å; F278-I283 WeakPolarHBondContact O-CG1 3.38Å; F278-I283 PolarHBondContact O-N 2.91Å
279	D	98.5	Very high	98.5	Very high	90 Å²	90	72 Å²	72	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-58.8	-44.5	176.7	-69.1	-21.1	0	0	0	110.7	K275 N281 K282	K275-D279 IonicContact NZ-OD1 2.69Å; K275-D279 IonicContact NZ-OD2 2.71Å; K275-D279 PolarHBondContact NZ-OD2 2.91Å; K275-D279 WeakPolarHBondContact O-CB 3.46Å; K275-D279 PolarHBondContact O-N 3.34Å; D279-N281 VanDerWaalsContact C-N 3.33Å; D279-N281 PolarHBondContact O-N 2.58Å; D279-K282 PolarHBondContact O-N 3.12Å; D279-K282 VanDerWaalsContact O-N 3.13Å
280	K	98.4	Very high	98.5	Very high	161 Å²	161	72.5 Å²	72.5	70%	0.7	34%	0.339	S	S	*	.	H	α-helix	trans	-59.3	-39.5	176	179.3	-178.1	176.9	-177.6	0	113	T276 F278 K282	T276-K280 WeakPolarHBondContact O-CB 2.99Å; T276-K280 PolarHBondContact O-N 2.74Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 3.16Å; K280-K282 VanDerWaalsContact C-N 3.32Å
281	N	98.1	Very high	98.4	Very high	45 Å²	45	75.6 Å²	75.6	24%	0.241	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3	179.6	-72.5	-79.4	0	0	0	113.4	K243 D277 F278 D279 I283	K243-N281 WeakPolarHBondContact CE-OD1 3.42Å; D277-N281 WeakPolarHBondContact O-CB 3.36Å; D277-N281 PolarHBondContact O-N 3.06Å; D277-N281 PolarHBondContact O-ND2 2.85Å; F278-N281 CarbonylContact O-C 3.58Å; F278-N281 PolarHBondContact O-N 2.93Å; F278-N281 VanDerWaalsContact O-N 3.15Å; D279-N281 VanDerWaalsContact C-N 3.33Å; D279-N281 PolarHBondContact O-N 2.58Å; N281-I283 VanDerWaalsContact C-N 3.29Å; N281-I283 HydrophobicContact CB-CD1 4.25Å; N281-I283 HydrophobicContact CB-CG1 4.03Å; N281-I283 PolarHBondContact O-N 2.57Å
282	K	98.5	Very high	98.4	Very high	186 Å²	186	74.2 Å²	74.2	81%	0.809	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	40.4	-178.6	-53.4	-179.7	-179.8	-178.8	0	113	F278 D279 K280	F278-K282 PolarHBondContact O-N 3.06Å; D279-K282 PolarHBondContact O-N 3.12Å; D279-K282 VanDerWaalsContact O-N 3.13Å; K280-K282 VanDerWaalsContact C-N 3.32Å
283	I	98.6	Very high	98.4	Very high	11 Å²	11	66.4 Å²	66.4	6%	0.056	32%	0.315	C	S	.	.			trans	-121.7	164.9	176	56.9	170.9	0	0	0	109.8	I240 K243 W244 F278 N281	I240-I283 HydrophobicContact CG1-CD1 4.47Å; K243-I283 WeakPolarHBondContact O-CG2 3.19Å; W244-I283 WeakPolarHBondContact O-CD1 3.35Å; F278-I283 CarbonylContact C-O 3.58Å; F278-I283 HydrophobicContact CB-CG1 4.01Å; F278-I283 HydrophobicContact CD1-CB 4.37Å; F278-I283 HydrophobicContact CD1-CD1 3.76Å; F278-I283 HydrophobicContact CD1-CG1 3.64Å; F278-I283 HydrophobicContact CD2-CD1 4.23Å; F278-I283 HydrophobicContact CE1-CD1 3.9Å; F278-I283 HydrophobicContact CE1-CG1 4.23Å; F278-I283 HydrophobicContact CE2-CD1 4.38Å; F278-I283 HydrophobicContact CG-CD1 3.92Å; F278-I283 HydrophobicContact CG-CG1 3.84Å; F278-I283 HydrophobicContact CZ-CD1 4.19Å; F278-I283 WeakPolarHBondContact O-CG1 3.38Å; F278-I283 PolarHBondContact O-N 2.91Å; N281-I283 VanDerWaalsContact C-N 3.29Å; N281-I283 HydrophobicContact CB-CD1 4.25Å; N281-I283 HydrophobicContact CB-CG1 4.03Å; N281-I283 PolarHBondContact O-N 2.57Å
284	W	98.8	Very high	98.4	Very high	128 Å²	128	64 Å²	64	49%	0.485	31%	0.308	S	S	.	.			trans	-132.3	159.8	-178.3	59.4	93.6	0	0	0	111.7	P245 L246 Y247	P245-W284 WeakPolarHBondContact CA-O 3.42Å; P245-W284 HydrophobicContact CB-CD2 3.88Å; P245-W284 HydrophobicContact CB-CE3 4.36Å; P245-W284 HydrophobicContact CB-CG 4.27Å; P245-W284 HydrophobicContact CB-CH2 4.41Å; P245-W284 HydrophobicContact CB-CZ2 3.93Å; P245-W284 HydrophobicContact CG-CD2 3.96Å; P245-W284 HydrophobicContact CG-CE3 3.96Å; P245-W284 HydrophobicContact CG-CH2 3.62Å; P245-W284 HydrophobicContact CG-CZ2 3.61Å; P245-W284 HydrophobicContact CG-CZ3 3.8Å; L246-W284 PolarHBondContact N-O 3.27Å; Y247-W284 AromaticContact CE1-NE1 3.9Å; Y247-W284 AromaticContact CZ-NE1 3.57Å; Y247-W284 PolarHBondContact OH-NE1 2.65Å
285	Y	98.8	Very high	98.4	Very high	21 Å²	21	65.3 Å²	65.3	8%	0.082	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.7	167	164.5	-116	0	0	0	109.1	F236 L246 M248 F266 F270	F236-Y285 HydrophobicContact CE1-CD1 4.15Å; F236-Y285 AromaticContact CE1-CD2 3.76Å; F236-Y285 HydrophobicContact CE1-CD2 3.76Å; F236-Y285 HydrophobicContact CE1-CE2 4.37Å; F236-Y285 AromaticContact CE1-CG 3.65Å; F236-Y285 HydrophobicContact CE1-CG 3.65Å; F236-Y285 HydrophobicContact CZ-CD1 4.23Å; F236-Y285 HydrophobicContact CZ-CD2 4.14Å; F236-Y285 HydrophobicContact CZ-CE1 4.4Å; F236-Y285 HydrophobicContact CZ-CE2 4.32Å; F236-Y285 HydrophobicContact CZ-CG 4.12Å; L246-Y285 HydrophobicContact CB-CD2 4.35Å; L246-Y285 HydrophobicContact CD2-CD2 4.03Å; L246-Y285 HydrophobicContact CG-CD2 4.08Å; L246-Y285 CarbonylContact O-C 3.47Å; L246-Y285 VanDerWaalsContact O-CA 3.31Å; L246-Y285 WeakPolarHBondContact O-CA 3.34Å; M248-Y285 HydrophobicContact CB-CE2 3.9Å; F266-Y285 HydrophobicContact CB-CE1 4.37Å; F266-Y285 HydrophobicContact CB-CE2 4.46Å; F266-Y285 WeakPolarHBondContact CB-OH 3.46Å; F266-Y285 AromaticContact CD1-CE2 3.89Å; F266-Y285 HydrophobicContact CD1-CE2 3.89Å; F270-Y285 HydrophobicContact CB-CD1 3.89Å; F270-Y285 HydrophobicContact CB-CE1 4.38Å; F270-Y285 AromaticContact CD1-CD1 3.87Å; F270-Y285 HydrophobicContact CD1-CD1 3.87Å; F270-Y285 HydrophobicContact CD2-CD1 4.1Å; F270-Y285 HydrophobicContact CD2-CG 4.14Å; F270-Y285 HydrophobicContact CE1-CD1 4.43Å; F270-Y285 HydrophobicContact CE2-CG 4.49Å; F270-Y285 AromaticContact CG-CD1 3.67Å; F270-Y285 HydrophobicContact CG-CD1 3.67Å; F270-Y285 HydrophobicContact CG-CG 4.19Å
286	E	98.7	Very high	98.4	Very high	62 Å²	62	62.4 Å²	62.4	29%	0.29	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	133.8	174.7	-169	-176.1	165.9	0	0	111.9	L246 Y247 M248 R288	L246-E286 PolarHBondContact O-N 2.81Å; Y247-E286 CarbonylContact C-O 3.41Å; Y247-E286 VanDerWaalsContact CA-O 3.27Å; Y247-E286 WeakPolarHBondContact CA-O 3.2Å; Y247-E286 HydrophobicContact CD1-CB 3.88Å; Y247-E286 HydrophobicContact CE1-CB 3.96Å; Y247-E286 WeakPolarHBondContact CE1-OE2 3.47Å; M248-E286 PolarHBondContact N-O 2.89Å; E286-R288 HydrophobicContact CG-CG 4.3Å; E286-R288 IonicContact OE1-CZ 2.97Å; E286-R288 IonicContact OE1-NE 3.76Å; E286-R288 PolarHBondContact OE1-NE 3.42Å; E286-R288 VanDerWaalsContact OE1-NE 3.12Å; E286-R288 IonicContact OE1-NH1 3.14Å; E286-R288 IonicContact OE1-NH2 3.54Å; E286-R288 PolarHBondContact OE1-NH2 3.44Å; E286-R288 IonicContact OE2-CZ 3.74Å; E286-R288 IonicContact OE2-NE 3.34Å; E286-R288 PolarHBondContact OE2-NE 2.97Å; E286-R288 IonicContact OE2-NH2 2.7Å; E286-R288 PolarHBondContact OE2-NH2 3.16Å
287	H	98.7	Very high	98.4	Very high	35 Å²	35	57.3 Å²	57.3	16%	0.162	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	133.8	165.2	170	-98.6	0	0	0	110.3	M248 T250 N252 K263	M248-H287 WeakPolarHBondContact O-CA 3.24Å; T250-H287 PolarHBondContact OG1-NE2 3.4Å; N252-H287 PolarHBondContact OD1-CE1 2.86Å; K263-H287 HydrophobicContact CG-CB 4.26Å
288	R	98.7	Very high	98.4	Very high	51 Å²	51	58.8 Å²	58.8	19%	0.192	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.2	173	-70.6	-169.4	175	-97.9	-3.6	111.8	Y247 M248 S249 T250 E286 D292 M293 Q296	Y247-R288 HydrophobicContact CD1-CG 4.46Å; M248-R288 PolarHBondContact O-N 2.79Å; S249-R288 VanDerWaalsContact CA-O 3.31Å; S249-R288 WeakPolarHBondContact CA-O 3.4Å; T250-R288 PolarHBondContact N-O 3.03Å; E286-R288 HydrophobicContact CG-CG 4.3Å; E286-R288 IonicContact OE1-CZ 2.97Å; E286-R288 IonicContact OE1-NE 3.76Å; E286-R288 PolarHBondContact OE1-NE 3.42Å; E286-R288 VanDerWaalsContact OE1-NE 3.12Å; E286-R288 IonicContact OE1-NH1 3.14Å; E286-R288 IonicContact OE1-NH2 3.54Å; E286-R288 PolarHBondContact OE1-NH2 3.44Å; E286-R288 IonicContact OE2-CZ 3.74Å; E286-R288 IonicContact OE2-NE 3.34Å; E286-R288 PolarHBondContact OE2-NE 2.97Å; E286-R288 IonicContact OE2-NH2 2.7Å; E286-R288 PolarHBondContact OE2-NH2 3.16Å; R288-D292 IonicContact CZ-OD2 3.51Å; R288-D292 IonicContact NH1-OD2 3.82Å; R288-D292 PolarHBondContact NH1-OD2 2.82Å; R288-M293 HydrophobicContact CB-CB 4.1Å; R288-Q296 VanDerWaalsContact NE-OE1 3.08Å
289	L	98.5	Very high	98.3	Very high	52 Å²	52	66.4 Å²	66.4	27%	0.272	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.1	165.6	-66	175	0	0	0	109.4	T250 N252 T253 D291 D292 M293	T250-L289 CarbonylContact O-C 3.5Å; T250-L289 WeakPolarHBondContact O-CA 3.37Å; N252-L289 WeakPolarHBondContact OD1-CD2 3.37Å; T253-L289 HydrophobicContact CG2-CD1 3.79Å; T253-L289 HydrophobicContact CG2-CD2 3.81Å; T253-L289 HydrophobicContact CG2-CG 4.45Å; L289-D291 VanDerWaalsContact C-N 3.26Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.4Å; L289-D291 PolarHBondContact O-N 3.35Å; L289-D292 PolarHBondContact O-N 3.12Å; L289-D292 VanDerWaalsContact O-N 3.1Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 PolarHBondContact O-N 3.23Å
290	I	98.5	Very high	98.2	Very high	22 Å²	22	63.3 Å²	63.3	11%	0.113	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-37.4	-173.5	-178.2	61.4	0	0	0	112.9	T250 K251 M293 V294 W306 D312	T250-I290 PolarHBondContact O-N 3.12Å; K251-I290 HydrophobicContact CB-CG2 4.25Å; K251-I290 HydrophobicContact CD-CG2 3.6Å; I290-M293 PolarHBondContact O-N 3.35Å; I290-V294 HydrophobicContact CD1-CG1 4.17Å; I290-V294 WeakPolarHBondContact O-CG1 3.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.24Å; I290-V294 PolarHBondContact O-N 3.33Å; I290-W306 HydrophobicContact CD1-CZ2 3.78Å; I290-D312 HydrophobicContact CD1-CB 4.28Å
291	D	97.9	Very high	98.2	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-40.6	175.8	45.9	-34.2	0	0	0	113.2	K251 L289 V294 A295	K251-D291 IonicContact NZ-OD1 3.64Å; K251-D291 PolarHBondContact NZ-OD1 3.28Å; K251-D291 IonicContact NZ-OD2 3.82Å; K251-D291 PolarHBondContact NZ-OD2 2.94Å; L289-D291 VanDerWaalsContact C-N 3.26Å; L289-D291 VanDerWaalsContact CB-OD1 3.29Å; L289-D291 WeakPolarHBondContact CB-OD1 3.4Å; L289-D291 PolarHBondContact O-N 3.35Å; D291-V294 VanDerWaalsContact O-CG2 3.27Å; D291-V294 WeakPolarHBondContact O-CG2 3.41Å; D291-A295 PolarHBondContact O-N 3.26Å
292	D	97.9	Very high	98.1	Very high	61 Å²	61	56.4 Å²	56.4	33%	0.326	28%	0.281	S	S	.	.	H	α-helix	trans	-69.9	-40.4	172.4	176.8	50.8	0	0	0	111.2	R288 L289 V294 A295 Q296	R288-D292 IonicContact CZ-OD2 3.51Å; R288-D292 IonicContact NH1-OD2 3.82Å; R288-D292 PolarHBondContact NH1-OD2 2.82Å; L289-D292 PolarHBondContact O-N 3.12Å; L289-D292 VanDerWaalsContact O-N 3.1Å; D292-V294 PolarHBondContact O-N 2.71Å; D292-A295 PolarHBondContact O-N 3.17Å; D292-Q296 WeakPolarHBondContact O-CB 3.2Å; D292-Q296 PolarHBondContact O-N 3.47Å
293	M	98.6	Very high	98	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-46	-179	-174.3	57.5	-172.4	0	0	112	Y247 R288 L289 I290 A295 Q296 V297 F304 W306	Y247-M293 VanDerWaalsContact CB-CE 3.49Å; Y247-M293 HydrophobicContact CD1-SD 4.39Å; Y247-M293 HydrophobicContact CD2-CE 4Å; Y247-M293 HydrophobicContact CG-CE 3.82Å; Y247-M293 HydrophobicContact CG-SD 4.07Å; R288-M293 HydrophobicContact CB-CB 4.1Å; L289-M293 WeakPolarHBondContact O-CB 3.4Å; L289-M293 PolarHBondContact O-N 3.23Å; I290-M293 PolarHBondContact O-N 3.35Å; M293-A295 VanDerWaalsContact C-N 3.31Å; M293-A295 PolarHBondContact O-N 3.4Å; M293-Q296 PolarHBondContact O-N 3.26Å; M293-Q296 VanDerWaalsContact O-N 3.17Å; M293-V297 HydrophobicContact CE-CG2 3.67Å; M293-V297 HydrophobicContact CG-CG2 4.39Å; M293-V297 WeakPolarHBondContact O-CG2 3.28Å; M293-V297 PolarHBondContact O-N 2.83Å; M293-V297 HydrophobicContact SD-CG2 4.35Å; M293-F304 HydrophobicContact CE-CD2 4.21Å; M293-F304 HydrophobicContact CE-CE2 3.68Å; M293-F304 HydrophobicContact CE-CZ 4.44Å; M293-W306 HydrophobicContact CE-CB 4.07Å; M293-W306 HydrophobicContact CE-CD2 3.86Å; M293-W306 HydrophobicContact CE-CG 3.6Å; M293-W306 HydrophobicContact CG-CD2 4.32Å; M293-W306 HydrophobicContact CG-CZ2 3.9Å
294	V	98.2	Very high	98	Very high	43 Å²	43	48 Å²	48	26%	0.261	25%	0.247	S	C	.	.	H	α-helix	trans	-63.5	-37.3	178.3	-64.4	0	0	0	0	112	I290 D291 D292 V297 L298 W306	I290-V294 HydrophobicContact CD1-CG1 4.17Å; I290-V294 WeakPolarHBondContact O-CG1 3.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.24Å; I290-V294 PolarHBondContact O-N 3.33Å; D291-V294 VanDerWaalsContact O-CG2 3.27Å; D291-V294 WeakPolarHBondContact O-CG2 3.41Å; D292-V294 PolarHBondContact O-N 2.71Å; V294-V297 PolarHBondContact O-N 3.21Å; V294-L298 PolarHBondContact O-N 3.44Å; V294-W306 HydrophobicContact CG1-CH2 3.94Å; V294-W306 HydrophobicContact CG1-CZ2 4.27Å
295	A	98	Very high	98	Very high	49 Å²	49	41.9 Å²	41.9	41%	0.405	22%	0.224	S	C	.	.	H	α-helix	trans	-67.2	-40.3	174.3	0	0	0	0	0	111.5	D291 D292 M293 L298 K299	D291-A295 PolarHBondContact O-N 3.26Å; D292-A295 PolarHBondContact O-N 3.17Å; M293-A295 VanDerWaalsContact C-N 3.31Å; M293-A295 PolarHBondContact O-N 3.4Å; A295-L298 PolarHBondContact O-N 2.92Å; A295-K299 PolarHBondContact O-N 3.05Å
296	Q	97.9	Very high	98	Very high	26 Å²	26	41 Å²	41	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-63	-42.5	174.7	175.5	158.2	-39.7	0	0	112.7	R288 D292 M293 L298 K299 S300	R288-Q296 VanDerWaalsContact NE-OE1 3.08Å; D292-Q296 WeakPolarHBondContact O-CB 3.2Å; D292-Q296 PolarHBondContact O-N 3.47Å; M293-Q296 PolarHBondContact O-N 3.26Å; M293-Q296 VanDerWaalsContact O-N 3.17Å; Q296-L298 PolarHBondContact O-N 3.45Å; Q296-K299 WeakPolarHBondContact O-CG 3.19Å; Q296-K299 PolarHBondContact O-N 2.93Å; Q296-S300 VanDerWaalsContact O-CB 3.27Å; Q296-S300 WeakPolarHBondContact O-CB 3.41Å; Q296-S300 PolarHBondContact O-N 2.84Å
297	V	98.3	Very high	98	Very high	7 Å²	7	38 Å²	38	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-49.4	177	167.4	0	0	0	0	110.4	W164 I168 M293 V294 K299 S300 F304 W306 L320	W164-V297 HydrophobicContact CZ2-CG1 3.83Å; W164-V297 PolarHBondContact NE1-O 3.46Å; I168-V297 HydrophobicContact CD1-CG1 3.96Å; M293-V297 HydrophobicContact CE-CG2 3.67Å; M293-V297 HydrophobicContact CG-CG2 4.39Å; M293-V297 WeakPolarHBondContact O-CG2 3.28Å; M293-V297 PolarHBondContact O-N 2.83Å; M293-V297 HydrophobicContact SD-CG2 4.35Å; V294-V297 PolarHBondContact O-N 3.21Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 3.21Å; V297-S300 PolarHBondContact O-N 3.12Å; V297-S300 PolarHBondContact O-OG 3.18Å; V297-F304 HydrophobicContact CG2-CE2 4.07Å; V297-F304 HydrophobicContact CG2-CZ 3.9Å; V297-W306 HydrophobicContact CG1-CZ3 4.49Å; V297-W306 HydrophobicContact CG2-CD2 4.41Å; V297-W306 HydrophobicContact CG2-CE3 3.92Å; V297-W306 HydrophobicContact CG2-CH2 4.38Å; V297-W306 HydrophobicContact CG2-CZ3 3.9Å; V297-L320 HydrophobicContact CG1-CD2 4.13Å
298	L	97.6	Very high	98	Very high	102 Å²	102	36.3 Å²	36.3	53%	0.534	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-37.9	-179.4	-76.4	169.6	0	0	0	113.6	V161 W164 V294 A295 Q296	V161-L298 HydrophobicContact CG2-CD2 4.08Å; W164-L298 HydrophobicContact CZ2-CD2 4.14Å; V294-L298 PolarHBondContact O-N 3.44Å; A295-L298 PolarHBondContact O-N 2.92Å; Q296-L298 PolarHBondContact O-N 3.45Å
299	K	96.9	Very high	98	Very high	160 Å²	160	34.8 Å²	34.8	70%	0.696	19%	0.193	S	C	*	.	H	α-helix	trans	-86.9	-7.9	178.6	72.9	-174	-177.9	-170.9	0	114.5	A295 Q296 V297	A295-K299 PolarHBondContact O-N 3.05Å; Q296-K299 WeakPolarHBondContact O-CG 3.19Å; Q296-K299 PolarHBondContact O-N 2.93Å; V297-K299 VanDerWaalsContact C-N 3.34Å; V297-K299 PolarHBondContact O-N 3.21Å
300	S	97.4	Very high	97.7	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	18%	0.181	C	C	.	.	S	Bend	trans	-77.7	173.3	-175.2	77	0	0	0	0	113.3	Q296 V297 G302 F304	Q296-S300 VanDerWaalsContact O-CB 3.27Å; Q296-S300 WeakPolarHBondContact O-CB 3.41Å; Q296-S300 PolarHBondContact O-N 2.84Å; V297-S300 PolarHBondContact O-N 3.12Å; V297-S300 PolarHBondContact O-OG 3.18Å; S300-G302 PolarHBondContact OG-N 3.02Å; S300-F304 WeakPolarHBondContact OG-CE1 3.46Å
301	S	96.8	Very high	97.5	Very high	54 Å²	54	37.1 Å²	37.1	38%	0.378	20%	0.198	S	C	.	.			trans	-98	11.4	167.7	58.7	0	0	0	0	114	G163 T165 K166	G163-S301 VanDerWaalsContact O-CA 3.32Å; G163-S301 WeakPolarHBondContact O-CA 3.42Å; T165-S301 PolarHBondContact N-O 3.34Å; T165-S301 PolarHBondContact OG1-O 3.36Å; K166-S301 WeakPolarHBondContact CE-O 3.45Å; K166-S301 PolarHBondContact N-O 3.48Å; K166-S301 PolarHBondContact NZ-OG 3.2Å
302	G	96.8	Very high	97.5	Very high	6 Å²	6	34.6 Å²	34.6	6%	0.062	19%	0.185	C	C	.	.			trans	66.8	-162.5	-168.3	0	0	0	0	0	113.7	K166 S300	K166-G302 WeakPolarHBondContact CE-O 3.49Å; S300-G302 PolarHBondContact OG-N 3.02Å
303	G	97.1	Very high	97.3	Very high	10 Å²	10	31.7 Å²	31.7	10%	0.103	17%	0.169	C	C	.	.			trans	83.8	42.2	178.1	0	0	0	0	0	113.8	P167	P167-G303 WeakPolarHBondContact O-CA 3.25Å; P167-G303 PolarHBondContact O-N 3.24Å
304	F	98.5	Very high	96.8	Very high	11 Å²	11	34 Å²	34	5%	0.048	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.8	177.6	55.4	-93.4	0	0	0	111	I168 T169 P245 Y247 M293 V297 S300 W306	I168-F304 HydrophobicContact CB-CE2 4.49Å; I168-F304 HydrophobicContact CB-CZ 4.49Å; I168-F304 HydrophobicContact CD1-CE1 4.25Å; I168-F304 HydrophobicContact CD1-CZ 3.81Å; I168-F304 HydrophobicContact CG1-CE1 3.97Å; I168-F304 HydrophobicContact CG1-CE2 4.19Å; I168-F304 HydrophobicContact CG1-CZ 3.72Å; I168-F304 HydrophobicContact CG2-CD2 4.14Å; I168-F304 HydrophobicContact CG2-CE2 3.56Å; I168-F304 HydrophobicContact CG2-CZ 3.94Å; T169-F304 PolarHBondContact N-O 3.03Å; P245-F304 HydrophobicContact CB-CB 4.48Å; P245-F304 WeakPolarHBondContact O-CA 3.36Å; P245-F304 WeakPolarHBondContact O-CB 3.27Å; Y247-F304 HydrophobicContact CD2-CB 3.94Å; Y247-F304 AromaticContact CD2-CD2 3.73Å; Y247-F304 HydrophobicContact CD2-CD2 3.73Å; Y247-F304 HydrophobicContact CD2-CE2 4.45Å; Y247-F304 AromaticContact CD2-CG 3.9Å; Y247-F304 HydrophobicContact CD2-CG 3.9Å; Y247-F304 HydrophobicContact CE2-CB 3.78Å; Y247-F304 HydrophobicContact CE2-CD1 4.37Å; Y247-F304 HydrophobicContact CE2-CD2 4.14Å; Y247-F304 AromaticContact CE2-CG 3.85Å; Y247-F304 HydrophobicContact CE2-CG 3.85Å; M293-F304 HydrophobicContact CE-CD2 4.21Å; M293-F304 HydrophobicContact CE-CE2 3.68Å; M293-F304 HydrophobicContact CE-CZ 4.44Å; V297-F304 HydrophobicContact CG2-CE2 4.07Å; V297-F304 HydrophobicContact CG2-CZ 3.9Å; S300-F304 WeakPolarHBondContact OG-CE1 3.46Å; F304-W306 HydrophobicContact CD2-CB 4.36Å; F304-W306 HydrophobicContact CE2-CB 4.27Å
305	V	98.4	Very high	96.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136	169.4	-175.6	0	0	0	0	108.4	F148 T169 Y238 A239 W244 P245 L246 Y247	F148-V305 HydrophobicContact CE1-CG1 4.24Å; T169-V305 CarbonylContact O-C 3.59Å; T169-V305 WeakPolarHBondContact O-CA 3.47Å; Y238-V305 HydrophobicContact CD1-CG1 4.3Å; Y238-V305 HydrophobicContact CD1-CG2 3.84Å; Y238-V305 HydrophobicContact CE1-CG2 4.29Å; A239-V305 HydrophobicContact CB-CB 4.4Å; A239-V305 HydrophobicContact CB-CG2 4.08Å; W244-V305 HydrophobicContact CB-CG2 4.47Å; W244-V305 HydrophobicContact CE3-CG2 4.45Å; P245-V305 PolarHBondContact O-N 2.84Å; L246-V305 WeakPolarHBondContact CA-O 3.29Å; L246-V305 HydrophobicContact CD1-CB 3.73Å; L246-V305 HydrophobicContact CD1-CG1 3.59Å; Y247-V305 PolarHBondContact N-O 3.09Å
306	W	98.7	Very high	96.3	Very high	1 Å²	1	34 Å²	34	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	103.2	178.5	-179.5	12.6	0	0	0	110	T169 I170 G171 Y247 S249 I290 M293 V294 V297 F304 C308 Q316 L320	T169-W306 PolarHBondContact O-N 2.97Å; I170-W306 CarbonylContact C-O 3.54Å; I170-W306 VanDerWaalsContact CA-O 3.27Å; I170-W306 WeakPolarHBondContact CA-O 3.32Å; I170-W306 HydrophobicContact CD1-CD2 4.49Å; I170-W306 HydrophobicContact CD1-CE3 3.75Å; I170-W306 HydrophobicContact CD1-CZ3 3.92Å; I170-W306 HydrophobicContact CG1-CB 4.25Å; I170-W306 HydrophobicContact CG1-CD2 4.18Å; I170-W306 HydrophobicContact CG1-CE3 3.7Å; I170-W306 HydrophobicContact CG1-CG 4.44Å; I170-W306 HydrophobicContact CG1-CZ3 4.39Å; G171-W306 PolarHBondContact N-O 3.45Å; Y247-W306 CarbonylContact O-C 3.56Å; Y247-W306 WeakPolarHBondContact O-CA 3.33Å; S249-W306 PolarHBondContact OG-NE1 3.44Å; I290-W306 HydrophobicContact CD1-CZ2 3.78Å; M293-W306 HydrophobicContact CE-CB 4.07Å; M293-W306 HydrophobicContact CE-CD2 3.86Å; M293-W306 HydrophobicContact CE-CG 3.6Å; M293-W306 HydrophobicContact CG-CD2 4.32Å; M293-W306 HydrophobicContact CG-CZ2 3.9Å; V294-W306 HydrophobicContact CG1-CH2 3.94Å; V294-W306 HydrophobicContact CG1-CZ2 4.27Å; V297-W306 HydrophobicContact CG1-CZ3 4.49Å; V297-W306 HydrophobicContact CG2-CD2 4.41Å; V297-W306 HydrophobicContact CG2-CE3 3.92Å; V297-W306 HydrophobicContact CG2-CH2 4.38Å; V297-W306 HydrophobicContact CG2-CZ3 3.9Å; F304-W306 HydrophobicContact CD2-CB 4.36Å; F304-W306 HydrophobicContact CE2-CB 4.27Å; W306-C308 VanDerWaalsContact CD2-SG 3.55Å; W306-C308 PolarHBondContact NE1-SG 2.9Å; W306-C308 PolarHBondContact O-N 2.92Å; W306-Q316 HydrophobicContact CH2-CB 3.54Å; W306-Q316 HydrophobicContact CH2-CG 3.47Å; W306-Q316 VanDerWaalsContact CH2-CG 3.47Å; W306-Q316 HydrophobicContact CZ2-CB 4.36Å; W306-Q316 HydrophobicContact CZ2-CG 4.07Å; W306-Q316 HydrophobicContact CZ3-CB 3.74Å; W306-Q316 HydrophobicContact CZ3-CG 4.21Å; W306-L320 HydrophobicContact CE3-CD1 4.45Å
307	A	98.7	Very high	96	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.7	171.9	0	0	0	0	0	110.1	G171 F231 C235 L246 Y247 M248 S249 F266	G171-A307 CarbonylContact O-C 3.59Å; G171-A307 WeakPolarHBondContact O-CA 3.42Å; F231-A307 HydrophobicContact CE1-CB 4.27Å; F231-A307 HydrophobicContact CE2-CB 4.36Å; F231-A307 HydrophobicContact CZ-CB 3.65Å; C235-A307 HydrophobicContact CB-CB 4.28Å; L246-A307 HydrophobicContact CD1-CB 4.14Å; Y247-A307 PolarHBondContact O-N 3.39Å; M248-A307 WeakPolarHBondContact CA-O 3.23Å; M248-A307 HydrophobicContact CB-CB 3.98Å; M248-A307 HydrophobicContact CG-CB 3.88Å; S249-A307 PolarHBondContact N-O 2.91Å; S249-A307 VanDerWaalsContact N-O 3.13Å; F266-A307 HydrophobicContact CE1-CB 3.98Å; F266-A307 HydrophobicContact CZ-CB 4.09Å
308	C	98.6	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.6	177.9	-64.3	0	0	0	0	110.9	I170 G171 H173 F231 W306 D312 G313	I170-C308 HydrophobicContact CG2-CB 4.23Å; G171-C308 PolarHBondContact O-N 2.83Å; H173-C308 PolarHBondContact N-O 2.89Å; F231-C308 WeakPolarHBondContact CZ-O 3.35Å; W306-C308 VanDerWaalsContact CD2-SG 3.55Å; W306-C308 PolarHBondContact NE1-SG 2.9Å; W306-C308 PolarHBondContact O-N 2.92Å; C308-D312 HydrophobicContact CB-CB 4.08Å; C308-G313 VanDerWaalsContact CB-N 3.32Å
309	K	97.9	Very high	95.1	Very high	18 Å²	18	35.3 Å²	35.3	8%	0.078	18%	0.182	C	C	.	.			trans	-58.6	168.8	162.8	-70.9	178.6	64	-163.6	0	111	D259 F262 Y311 D312 G313	D259-K309 WeakPolarHBondContact OD1-CE 3.34Å; D259-K309 IonicContact OD1-NZ 3.98Å; D259-K309 PolarHBondContact OD1-NZ 3.2Å; D259-K309 IonicContact OD2-NZ 2.65Å; D259-K309 PolarHBondContact OD2-NZ 2.69Å; F262-K309 HydrophobicContact CD1-CG 4.22Å; F262-K309 HydrophobicContact CE1-CG 4.03Å; F262-K309 HydrophobicContact CZ-CG 4.29Å; K309-Y311 PolarHBondContact O-N 3.41Å; K309-D312 PolarHBondContact O-N 2.9Å; K309-G313 PolarHBondContact O-N 2.88Å
310	N	93.4	Very high	94.9	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.15	C	C	.	.	H	α-helix	trans	-55.9	-51	-169	-158.1	-13.1	0	0	0	112.8	R172 H173 H175 G176 D177 Y179 D314	R172-N310 PolarHBondContact NE-O 3.46Å; R172-N310 VanDerWaalsContact NE-O 3.15Å; R172-N310 PolarHBondContact NE-OD1 3.5Å; R172-N310 PolarHBondContact NH2-OD1 2.98Å; H173-N310 WeakPolarHBondContact O-CA 3.36Å; H173-N310 WeakPolarHBondContact O-CB 3.27Å; H173-N310 PolarHBondContact O-OD1 2.92Å; H175-N310 PolarHBondContact N-ND2 2.98Å; H175-N310 PolarHBondContact O-ND2 3.24Å; G176-N310 PolarHBondContact O-ND2 3.49Å; D177-N310 HydrophobicContact CB-CB 4.18Å; D177-N310 PolarHBondContact OD2-N 2.85Å; Y179-N310 HydrophobicContact CD2-CB 3.78Å; Y179-N310 WeakPolarHBondContact CD2-ND2 3.42Å; Y179-N310 WeakPolarHBondContact CD2-OD1 3.5Å; Y179-N310 HydrophobicContact CE2-CB 3.93Å; N310-D314 PolarHBondContact O-N 3.41Å
311	Y	94.3	Very high	94.5	Very high	119 Å²	119	26.8 Å²	26.8	47%	0.467	14%	0.142	S	C	.	.	H	α-helix	trans	-69.9	-46.7	-179.2	-177.7	-101.8	0	0	0	112.8	Y179 K309 G313 D314 V315	Y179-Y311 HydrophobicContact CE2-CD2 4.48Å; K309-Y311 PolarHBondContact O-N 3.41Å; Y311-G313 VanDerWaalsContact C-N 3.26Å; Y311-G313 PolarHBondContact O-N 3.35Å; Y311-D314 WeakPolarHBondContact O-CB 3.19Å; Y311-D314 PolarHBondContact O-N 2.79Å; Y311-D314 VanDerWaalsContact O-N 3.11Å; Y311-V315 HydrophobicContact CD1-CG2 4.46Å; Y311-V315 HydrophobicContact CE1-CG2 4Å; Y311-V315 HydrophobicContact CE2-CG2 4.2Å; Y311-V315 PolarHBondContact O-N 3.31Å; Y311-V315 VanDerWaalsContact O-N 3.16Å
312	D	97.5	Very high	94	Very high	30 Å²	30	28.8 Å²	28.8	16%	0.16	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-41.4	178.7	-61.3	-38.6	0	0	0	110.7	I290 C308 K309 D314 V315 Q316	I290-D312 HydrophobicContact CD1-CB 4.28Å; C308-D312 HydrophobicContact CB-CB 4.08Å; K309-D312 PolarHBondContact O-N 2.9Å; D312-D314 VanDerWaalsContact C-N 3.28Å; D312-D314 PolarHBondContact O-N 3.42Å; D312-V315 PolarHBondContact O-N 3.06Å; D312-Q316 WeakPolarHBondContact O-CB 3.1Å; D312-Q316 WeakPolarHBondContact O-CG 3.27Å; D312-Q316 PolarHBondContact O-N 3.38Å
313	G	94.1	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-67.1	-29.4	179.6	0	0	0	0	0	112.9	C308 K309 Y311 S317	C308-G313 VanDerWaalsContact CB-N 3.32Å; K309-G313 PolarHBondContact O-N 2.88Å; Y311-G313 VanDerWaalsContact C-N 3.26Å; Y311-G313 PolarHBondContact O-N 3.35Å; G313-S317 WeakPolarHBondContact O-CB 3.37Å; G313-S317 PolarHBondContact O-N 3.03Å; G313-S317 PolarHBondContact O-OG 3Å
314	D	87.1	Confident	93.6	Very high	49 Å²	49	28.6 Å²	28.6	26%	0.262	14%	0.141	S	C	.	.	H	α-helix	trans	-66.2	-62.2	173.4	-149.6	21.6	0	0	0	109.8	R172 Y179 N310 Y311 D312 Q316 S317	R172-D314 IonicContact CZ-OD1 2.95Å; R172-D314 VanDerWaalsContact NH1-CG 3.29Å; R172-D314 IonicContact NH1-OD1 2.77Å; R172-D314 PolarHBondContact NH1-OD1 3.19Å; R172-D314 IonicContact NH1-OD2 2.78Å; R172-D314 IonicContact NH2-OD1 3.85Å; R172-D314 IonicContact NH2-OD2 3.39Å; Y179-D314 WeakPolarHBondContact OH-CB 3.31Å; Y179-D314 VanDerWaalsContact OH-CG 3.25Å; Y179-D314 PolarHBondContact OH-OD2 2.98Å; N310-D314 PolarHBondContact O-N 3.41Å; Y311-D314 WeakPolarHBondContact O-CB 3.19Å; Y311-D314 PolarHBondContact O-N 2.79Å; Y311-D314 VanDerWaalsContact O-N 3.11Å; D312-D314 VanDerWaalsContact C-N 3.28Å; D312-D314 PolarHBondContact O-N 3.42Å; D314-Q316 PolarHBondContact O-N 3.32Å; D314-S317 PolarHBondContact O-N 2.81Å; D314-S317 PolarHBondContact O-OG 3.49Å
315	V	91	Very high	93.3	Very high	56 Å²	56	28.2 Å²	28.2	34%	0.339	14%	0.141	S	C	.	.	H	α-helix	trans	-60.5	-48.5	-175.1	178.7	0	0	0	0	112.1	Y311 D312 S317 D318 I319	Y311-V315 HydrophobicContact CD1-CG2 4.46Å; Y311-V315 HydrophobicContact CE1-CG2 4Å; Y311-V315 HydrophobicContact CE2-CG2 4.2Å; Y311-V315 PolarHBondContact O-N 3.31Å; Y311-V315 VanDerWaalsContact O-N 3.16Å; D312-V315 PolarHBondContact O-N 3.06Å; V315-S317 VanDerWaalsContact C-N 3.32Å; V315-S317 PolarHBondContact O-N 3.36Å; V315-D318 PolarHBondContact O-N 2.85Å; V315-I319 HydrophobicContact CG1-CD1 4.4Å; V315-I319 PolarHBondContact O-N 3.46Å
316	Q	95.1	Very high	93	Very high	35 Å²	35	28.9 Å²	28.9	16%	0.164	15%	0.146	C	C	.	.	H	α-helix	trans	-75	-25	-171.7	-58.5	-59.6	-35	0	0	112.4	I170 W306 D312 D314 I319 L320	I170-Q316 HydrophobicContact CD1-CB 3.79Å; W306-Q316 HydrophobicContact CH2-CB 3.54Å; W306-Q316 HydrophobicContact CH2-CG 3.47Å; W306-Q316 VanDerWaalsContact CH2-CG 3.47Å; W306-Q316 HydrophobicContact CZ2-CB 4.36Å; W306-Q316 HydrophobicContact CZ2-CG 4.07Å; W306-Q316 HydrophobicContact CZ3-CB 3.74Å; W306-Q316 HydrophobicContact CZ3-CG 4.21Å; D312-Q316 WeakPolarHBondContact O-CB 3.1Å; D312-Q316 WeakPolarHBondContact O-CG 3.27Å; D312-Q316 PolarHBondContact O-N 3.38Å; D314-Q316 PolarHBondContact O-N 3.32Å; Q316-I319 PolarHBondContact O-N 2.97Å; Q316-L320 WeakPolarHBondContact O-CG 3.44Å; Q316-L320 PolarHBondContact O-N 3.13Å
317	S	90.9	Very high	92.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	16%	0.16	C	C	.	.	H	α-helix	trans	-70.3	-33.2	175.9	69.1	0	0	0	0	113.2	R149 G313 D314 V315 L320 A321	R149-S317 VanDerWaalsContact CD-CB 3.41Å; R149-S317 WeakPolarHBondContact CD-OG 3.36Å; R149-S317 PolarHBondContact NH1-OG 2.84Å; G313-S317 WeakPolarHBondContact O-CB 3.37Å; G313-S317 PolarHBondContact O-N 3.03Å; G313-S317 PolarHBondContact O-OG 3Å; D314-S317 PolarHBondContact O-N 2.81Å; D314-S317 PolarHBondContact O-OG 3.49Å; V315-S317 VanDerWaalsContact C-N 3.32Å; V315-S317 PolarHBondContact O-N 3.36Å; S317-L320 PolarHBondContact O-N 2.72Å; S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 3.22Å
318	D	85.4	Confident	92.2	Very high	76 Å²	76	31.9 Å²	31.9	41%	0.406	16%	0.163	S	C	.	.	H	α-helix	trans	-69.1	-39.9	173.5	-70.2	-7.2	0	0	0	111	R149 V315 A321 Q322	R149-D318 IonicContact NH1-OD1 3.35Å; R149-D318 PolarHBondContact NH1-OD1 2.9Å; V315-D318 PolarHBondContact O-N 2.85Å; D318-A321 PolarHBondContact O-N 3.33Å; D318-Q322 WeakPolarHBondContact O-CB 3.14Å; D318-Q322 PolarHBondContact O-N 2.94Å
319	I	92.1	Very high	92	Very high	86 Å²	86	32 Å²	32	44%	0.441	16%	0.163	S	C	.	.	H	α-helix	trans	-60.1	-47.8	173.4	-67.1	174.2	0	0	0	110.6	V315 Q316 Q322 G323	V315-I319 HydrophobicContact CG1-CD1 4.4Å; V315-I319 PolarHBondContact O-N 3.46Å; Q316-I319 PolarHBondContact O-N 2.97Å; I319-Q322 PolarHBondContact O-N 3.39Å; I319-G323 PolarHBondContact O-N 2.83Å
320	L	93.3	Very high	91.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-45.7	177.2	-73.7	-173.8	0	0	0	111.3	W164 I168 I170 V297 W306 Q316 S317 Q322 G323 F324 M330	W164-L320 HydrophobicContact CH2-CD2 3.65Å; W164-L320 HydrophobicContact CZ2-CD2 4.24Å; W164-L320 HydrophobicContact CZ3-CD2 3.83Å; I168-L320 HydrophobicContact CB-CD1 3.97Å; I168-L320 HydrophobicContact CB-CD2 4.34Å; I168-L320 HydrophobicContact CD1-CD2 3.97Å; I168-L320 HydrophobicContact CG2-CD1 3.57Å; I168-L320 HydrophobicContact CG2-CD2 4.38Å; I170-L320 HydrophobicContact CD1-CD1 3.38Å; I170-L320 HydrophobicContact CD1-CG 4.08Å; I170-L320 HydrophobicContact CG1-CD1 3.57Å; V297-L320 HydrophobicContact CG1-CD2 4.13Å; W306-L320 HydrophobicContact CE3-CD1 4.45Å; Q316-L320 WeakPolarHBondContact O-CG 3.44Å; Q316-L320 PolarHBondContact O-N 3.13Å; S317-L320 PolarHBondContact O-N 2.72Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.08Å; L320-G323 PolarHBondContact O-N 3.19Å; L320-G323 VanDerWaalsContact O-N 3.16Å; L320-F324 HydrophobicContact CD2-CE2 4.33Å; L320-F324 VanDerWaalsContact O-CD2 3.25Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 2.73Å; L320-M330 HydrophobicContact CB-CE 4.37Å
321	A	87.7	Confident	91.7	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-45.4	-179.8	0	0	0	0	0	112.4	S317 D318 F324 G325 S326 L327 M330	S317-A321 WeakPolarHBondContact O-CB 3.36Å; S317-A321 PolarHBondContact O-N 3.22Å; D318-A321 PolarHBondContact O-N 3.33Å; A321-F324 PolarHBondContact O-N 2.79Å; A321-G325 PolarHBondContact O-N 2.88Å; A321-S326 CarbonylContact O-C 3.55Å; A321-S326 PolarHBondContact O-N 2.8Å; A321-L327 HydrophobicContact CB-CD2 3.6Å; A321-L327 HydrophobicContact CB-CG 4.31Å; A321-M330 HydrophobicContact CB-CB 3.98Å; A321-M330 HydrophobicContact CB-CE 3.61Å; A321-M330 HydrophobicContact CB-CG 4.1Å
322	Q	86.2	Confident	91.7	Very high	96 Å²	96	25.6 Å²	25.6	45%	0.449	14%	0.138	S	C	.	.	H	α-helix	trans	-68.1	-38.1	176.3	-167	57.4	68.5	0	0	111.9	L160 D318 I319 L320 F324 G325	L160-Q322 HydrophobicContact CD1-CG 4.09Å; L160-Q322 WeakPolarHBondContact CD1-O 3.44Å; D318-Q322 WeakPolarHBondContact O-CB 3.14Å; D318-Q322 PolarHBondContact O-N 2.94Å; I319-Q322 PolarHBondContact O-N 3.39Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.08Å; Q322-F324 VanDerWaalsContact C-N 3.29Å; Q322-F324 PolarHBondContact O-N 2.93Å; Q322-G325 PolarHBondContact NE2-O 3.48Å; Q322-G325 VanDerWaalsContact NE2-O 3.12Å; Q322-G325 PolarHBondContact O-N 3.16Å; Q322-G325 VanDerWaalsContact O-N 3.12Å
323	G	93	Very high	91.5	Very high	6 Å²	6	25.1 Å²	25.1	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-67	-28.1	178.2	0	0	0	0	0	114	R159 L160 I319 L320	R159-G323 WeakPolarHBondContact CA-O 3.44Å; R159-G323 WeakPolarHBondContact CB-O 3.49Å; L160-G323 PolarHBondContact N-O 3.46Å; I319-G323 PolarHBondContact O-N 2.83Å; L320-G323 PolarHBondContact O-N 3.19Å; L320-G323 VanDerWaalsContact O-N 3.16Å
324	F	93.5	Very high	91.5	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.026	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	1.6	172.6	-79.7	-77.4	0	0	0	114.4	P151 I153 R159 W164 I168 L320 A321 Q322	P151-F324 HydrophobicContact CB-CB 3.57Å; P151-F324 HydrophobicContact CB-CD1 4.05Å; P151-F324 HydrophobicContact CB-CD2 3.78Å; P151-F324 HydrophobicContact CB-CE2 4.5Å; P151-F324 HydrophobicContact CB-CG 3.53Å; P151-F324 HydrophobicContact CG-CB 4.28Å; P151-F324 HydrophobicContact CG-CD1 3.93Å; P151-F324 HydrophobicContact CG-CD2 3.57Å; P151-F324 HydrophobicContact CG-CE1 4.13Å; P151-F324 HydrophobicContact CG-CE2 3.79Å; P151-F324 HydrophobicContact CG-CG 3.66Å; P151-F324 HydrophobicContact CG-CZ 4.06Å; I153-F324 HydrophobicContact CD1-CD1 3.37Å; I153-F324 HydrophobicContact CD1-CE1 3.64Å; I153-F324 HydrophobicContact CD1-CG 4.32Å; R159-F324 HydrophobicContact CG-CD1 4.07Å; W164-F324 HydrophobicContact CB-CE1 3.94Å; W164-F324 HydrophobicContact CB-CZ 3.85Å; W164-F324 HydrophobicContact CD2-CE2 4.27Å; W164-F324 HydrophobicContact CD2-CZ 4.23Å; W164-F324 AromaticContact CE3-CD2 3.92Å; W164-F324 HydrophobicContact CE3-CD2 3.92Å; W164-F324 HydrophobicContact CE3-CE1 4.42Å; W164-F324 AromaticContact CE3-CE2 3.56Å; W164-F324 HydrophobicContact CE3-CE2 3.56Å; W164-F324 HydrophobicContact CE3-CG 4.48Å; W164-F324 AromaticContact CE3-CZ 3.85Å; W164-F324 HydrophobicContact CE3-CZ 3.85Å; W164-F324 HydrophobicContact CG-CZ 4.28Å; W164-F324 HydrophobicContact CZ3-CD2 4.17Å; W164-F324 HydrophobicContact CZ3-CE2 4.05Å; I168-F324 HydrophobicContact CB-CE2 4.29Å; I168-F324 HydrophobicContact CD1-CE2 4.28Å; I168-F324 HydrophobicContact CD1-CZ 4.37Å; I168-F324 HydrophobicContact CG1-CE2 4.43Å; I168-F324 HydrophobicContact CG1-CZ 4.36Å; L320-F324 HydrophobicContact CD2-CE2 4.33Å; L320-F324 VanDerWaalsContact O-CD2 3.25Å; L320-F324 WeakPolarHBondContact O-CD2 3.29Å; L320-F324 PolarHBondContact O-N 2.73Å; A321-F324 PolarHBondContact O-N 2.79Å; Q322-F324 VanDerWaalsContact C-N 3.29Å; Q322-F324 PolarHBondContact O-N 2.93Å
325	G	92.2	Very high	91.7	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	130.4	-59.5	168.8	0	0	0	0	0	112.5	A321 Q322 C418	A321-G325 PolarHBondContact O-N 2.88Å; Q322-G325 PolarHBondContact NE2-O 3.48Å; Q322-G325 VanDerWaalsContact NE2-O 3.12Å; Q322-G325 PolarHBondContact O-N 3.16Å; Q322-G325 VanDerWaalsContact O-N 3.12Å; G325-C418 PolarHBondContact O-SG 3.44Å
326	S	91.4	Very high	91.6	Very high	15 Å²	15	21.8 Å²	21.8	11%	0.105	12%	0.118	C	C	.	.			trans	-153.4	147.4	-175.5	175	0	0	0	0	111.4	A321 G328 L329 D414	A321-S326 CarbonylContact O-C 3.55Å; A321-S326 PolarHBondContact O-N 2.8Å; S326-G328 PolarHBondContact O-N 3.4Å; S326-G328 VanDerWaalsContact O-N 3.16Å; S326-G328 PolarHBondContact OG-N 3.19Å; S326-L329 PolarHBondContact O-N 2.83Å; S326-D414 VanDerWaalsContact CB-OD2 3.22Å; S326-D414 WeakPolarHBondContact CB-OD2 3.44Å; S326-D414 PolarHBondContact OG-OD2 3.07Å
327	L	89.1	Confident	91	Very high	59 Å²	59	23.1 Å²	23.1	31%	0.309	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-55.5	-26.5	167.4	-75.8	165.3	0	0	0	112.8	A321 L329 M330 H348	A321-L327 HydrophobicContact CB-CD2 3.6Å; A321-L327 HydrophobicContact CB-CG 4.31Å; L327-L329 PolarHBondContact O-N 3.21Å; L327-M330 PolarHBondContact O-N 2.88Å; L327-H348 HydrophobicContact CB-CB 4.15Å
328	G	91.4	Very high	90.8	Very high	5 Å²	5	27.3 Å²	27.3	5%	0.052	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-70.8	-8.7	174	0	0	0	0	0	114.7	S326 A370	S326-G328 PolarHBondContact O-N 3.4Å; S326-G328 VanDerWaalsContact O-N 3.16Å; S326-G328 PolarHBondContact OG-N 3.19Å; G328-A370 WeakPolarHBondContact O-CB 3.31Å; G328-A370 PolarHBondContact O-N 3.13Å
329	L	94.7	Very high	90.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-112.4	37.2	175.7	-64.2	-177.9	0	0	0	111.4	P151 I152 I157 S326 L327 I369 L415	P151-L329 CarbonylContact C-O 3.54Å; P151-L329 VanDerWaalsContact CA-O 3.31Å; P151-L329 WeakPolarHBondContact CA-O 3.21Å; I152-L329 HydrophobicContact CB-CB 4.18Å; I152-L329 HydrophobicContact CB-CD2 4.29Å; I152-L329 HydrophobicContact CG2-CD2 4.4Å; I152-L329 PolarHBondContact N-O 2.83Å; I157-L329 HydrophobicContact CG2-CD1 4.48Å; S326-L329 PolarHBondContact O-N 2.83Å; L327-L329 PolarHBondContact O-N 3.21Å; L329-I369 HydrophobicContact CD2-CB 4.25Å; L329-I369 HydrophobicContact CD2-CD1 3.82Å; L329-I369 HydrophobicContact CD2-CG2 4.05Å; L329-L415 HydrophobicContact CD1-CD1 4.41Å; L329-L415 HydrophobicContact CD1-CD2 3.47Å; L329-L415 VanDerWaalsContact CD1-CD2 3.47Å; L329-L415 HydrophobicContact CD2-CD1 4.39Å; L329-L415 HydrophobicContact CD2-CD2 4.48Å; L329-L415 HydrophobicContact CG-CD2 3.83Å
330	M	93.3	Very high	90.6	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.4	177.7	-175.7	64.9	66.9	0	0	110.3	R149 E150 P151 L320 A321 L327 A347 A370	R149-M330 HydrophobicContact CB-CG 4.35Å; R149-M330 HydrophobicContact CB-SD 3.99Å; E150-M330 PolarHBondContact N-SD 3.3Å; E150-M330 VanDerWaalsContact N-SD 3.35Å; E150-M330 VanDerWaalsContact O-SD 3.33Å; P151-M330 HydrophobicContact CB-CE 3.77Å; P151-M330 HydrophobicContact CB-SD 4.39Å; P151-M330 HydrophobicContact CG-CE 4.38Å; P151-M330 VanDerWaalsContact N-SD 3.37Å; L320-M330 HydrophobicContact CB-CE 4.37Å; A321-M330 HydrophobicContact CB-CB 3.98Å; A321-M330 HydrophobicContact CB-CE 3.61Å; A321-M330 HydrophobicContact CB-CG 4.1Å; L327-M330 PolarHBondContact O-N 2.88Å; M330-A347 HydrophobicContact CB-CB 3.86Å; M330-A347 HydrophobicContact CG-CB 3.5Å; M330-A347 VanDerWaalsContact CG-CB 3.5Å; M330-A347 PolarHBondContact O-N 3.39Å; M330-A370 WeakPolarHBondContact O-CB 3.42Å
331	T	92.9	Very high	90.8	Very high	6 Å²	6	27 Å²	27	4%	0.037	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	153.4	171.7	62.7	0	0	0	0	110.4	R149 E150 I152 F373	R149-T331 VanDerWaalsContact CA-O 3.23Å; R149-T331 WeakPolarHBondContact CA-O 3.47Å; E150-T331 PolarHBondContact N-O 2.96Å; E150-T331 PolarHBondContact O-N 3Å; E150-T331 PolarHBondContact O-OG1 3.43Å; I152-T331 HydrophobicContact CD1-CG2 3.87Å; I152-T331 HydrophobicContact CG1-CG2 3.82Å; T331-F373 HydrophobicContact CG2-CB 3.74Å; T331-F373 HydrophobicContact CG2-CD1 3.67Å; T331-F373 HydrophobicContact CG2-CG 4.11Å
332	S	93.1	Very high	91.2	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	118.5	172.4	-176.6	0	0	0	0	108.8	V147 F148 E345	V147-S332 VanDerWaalsContact CG1-OG 3.25Å; V147-S332 WeakPolarHBondContact CG1-OG 3.32Å; F148-S332 CarbonylContact O-C 3.51Å; F148-S332 WeakPolarHBondContact O-CA 3.46Å; S332-E345 WeakPolarHBondContact CB-O 3.44Å; S332-E345 PolarHBondContact N-O 3.5Å; S332-E345 PolarHBondContact O-N 3.32Å
333	V	94.6	Very high	91.7	Very high	20 Å²	20	22.8 Å²	22.8	12%	0.121	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	115.4	-179.4	-174.1	0	0	0	0	109.6	F148 V335 I342 E343 A344 R377	F148-V333 PolarHBondContact N-O 2.96Å; F148-V333 PolarHBondContact O-N 3.4Å; V333-V335 HydrophobicContact CG1-CG2 4.01Å; V333-I342 HydrophobicContact CG1-CB 4.11Å; V333-I342 HydrophobicContact CG1-CD1 4.16Å; V333-E343 CarbonylContact C-O 3.59Å; V333-E343 WeakPolarHBondContact CA-O 3.44Å; V333-A344 HydrophobicContact CG2-CB 4.21Å; V333-R377 HydrophobicContact CG2-CB 4.34Å; V333-R377 HydrophobicContact CG2-CG 4.46Å
334	L	92.9	Very high	91.9	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.4	165	178.9	71.8	0	0	0	108.9	R140 L143 T146 V147 I342 E343	R140-L334 HydrophobicContact CG-CD1 4.29Å; R140-L334 HydrophobicContact CG-CD2 4.09Å; L143-L334 HydrophobicContact CB-CD2 3.89Å; L143-L334 HydrophobicContact CD1-CD2 3.68Å; L143-L334 HydrophobicContact CG-CD2 4.36Å; T146-L334 CarbonylContact O-C 3.6Å; T146-L334 WeakPolarHBondContact O-CA 3.27Å; V147-L334 HydrophobicContact CG2-CB 4.35Å; V147-L334 HydrophobicContact CG2-CD1 3.78Å; L334-I342 WeakPolarHBondContact O-CA 3.45Å; L334-I342 WeakPolarHBondContact O-CB 3.47Å; L334-E343 HydrophobicContact CB-CB 4.18Å; L334-E343 HydrophobicContact CD2-CB 4.39Å; L334-E343 PolarHBondContact N-O 3.42Å; L334-E343 PolarHBondContact O-N 3.02Å
335	V	91.6	Very high	92	Very high	29 Å²	29	22.6 Å²	22.6	18%	0.176	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	120.6	175.6	-178.6	0	0	0	0	108.6	G145 T146 F148 V333 I342	G145-V335 VanDerWaalsContact CA-O 3.32Å; G145-V335 WeakPolarHBondContact CA-O 3.47Å; T146-V335 PolarHBondContact N-O 3.42Å; T146-V335 PolarHBondContact O-N 3.42Å; F148-V335 HydrophobicContact CD2-CB 4.03Å; F148-V335 HydrophobicContact CD2-CG2 3.75Å; F148-V335 HydrophobicContact CE2-CB 3.97Å; F148-V335 HydrophobicContact CE2-CG2 4.14Å; V333-V335 HydrophobicContact CG1-CG2 4.01Å; V335-I342 HydrophobicContact CG2-CG2 4.33Å
336	C	89.6	Confident	92	Very high	4 Å²	4	22.8 Å²	22.8	3%	0.027	14%	0.137	C	C	.	.			trans	-76.8	152.6	176.9	-61.3	0	0	0	0	110.8	G144 D338 G339 T341	G144-C336 PolarHBondContact O-SG 2.9Å; C336-D338 WeakPolarHBondContact CB-OD1 3.45Å; C336-D338 PolarHBondContact O-N 3.41Å; C336-D338 VanDerWaalsContact O-N 3.12Å; C336-G339 PolarHBondContact O-N 3.32Å; C336-T341 HydrophobicContact CB-CG2 4.49Å; C336-T341 VanDerWaalsContact CB-O 3.28Å; C336-T341 WeakPolarHBondContact CB-O 3.47Å; C336-T341 PolarHBondContact N-O 2.99Å; C336-T341 PolarHBondContact SG-O 3.36Å
337	P	81.1	Confident	91.9	Very high	64 Å²	64	22.6 Å²	22.6	42%	0.416	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.7	-179.1	28.2	-35.9	0	0	0	113.8	G339	P337-G339 PolarHBondContact O-N 2.85Å
338	D	86.8	Confident	91.8	Very high	90 Å²	90	21 Å²	21	48%	0.481	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-7.6	174.1	71.6	-4.8	0	0	0	113.4	C336 K340 T341	C336-D338 WeakPolarHBondContact CB-OD1 3.45Å; C336-D338 PolarHBondContact O-N 3.41Å; C336-D338 VanDerWaalsContact O-N 3.12Å; D338-K340 PolarHBondContact O-N 3.46Å; D338-K340 PolarHBondContact OD1-N 2.83Å; D338-T341 PolarHBondContact OD1-N 3.25Å; D338-T341 WeakPolarHBondContact OD2-CB 3.45Å; D338-T341 PolarHBondContact OD2-N 3.47Å; D338-T341 PolarHBondContact OD2-OG1 3.48Å
339	G	83.4	Confident	91.9	Very high	46 Å²	46	23 Å²	23	47%	0.474	15%	0.148	S	C	.	.	S	Bend	trans	66.5	12.3	-178.1	0	0	0	0	0	114	C336 P337	C336-G339 PolarHBondContact O-N 3.32Å; P337-G339 PolarHBondContact O-N 2.85Å
340	K	91.8	Very high	91.9	Very high	105 Å²	105	23.5 Å²	23.5	46%	0.457	15%	0.151	S	C	.	.	S	Bend	trans	-128.5	-42.5	-171.2	-173.4	-169.4	178.8	-163.3	0	112.3	S108 D338 H381 L385	S108-K340 WeakPolarHBondContact OG-CE 3.32Å; D338-K340 PolarHBondContact O-N 3.46Å; D338-K340 PolarHBondContact OD1-N 2.83Å; K340-H381 PolarHBondContact O-NE2 3.1Å; K340-L385 HydrophobicContact CG-CD1 4.22Å; K340-L385 HydrophobicContact CG-CD2 3.92Å
341	T	95.5	Very high	92	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.043	16%	0.162	C	C	.	.			trans	-90.5	125.7	-172.6	-56.8	0	0	0	0	110.7	T104 S108 L143 C336 D338	T104-T341 HydrophobicContact CG2-CG2 4.09Å; S108-T341 CarbonylContact O-C 3.54Å; S108-T341 VanDerWaalsContact O-CA 3.29Å; S108-T341 WeakPolarHBondContact O-CA 3.4Å; L143-T341 HydrophobicContact CD2-CG2 4.37Å; C336-T341 HydrophobicContact CB-CG2 4.49Å; C336-T341 VanDerWaalsContact CB-O 3.28Å; C336-T341 WeakPolarHBondContact CB-O 3.47Å; C336-T341 PolarHBondContact N-O 2.99Å; C336-T341 PolarHBondContact SG-O 3.36Å; D338-T341 PolarHBondContact OD1-N 3.25Å; D338-T341 WeakPolarHBondContact OD2-CB 3.45Å; D338-T341 PolarHBondContact OD2-N 3.47Å; D338-T341 PolarHBondContact OD2-OG1 3.48Å
342	I	96.2	Very high	92.2	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	155.4	175.8	74.6	164.7	0	0	0	112.7	S108 V109 A110 V333 L334 V335 H381	S108-I342 PolarHBondContact O-N 2.98Å; V109-I342 HydrophobicContact CG1-CG1 4.29Å; A110-I342 PolarHBondContact N-O 3.49Å; V333-I342 HydrophobicContact CG1-CB 4.11Å; V333-I342 HydrophobicContact CG1-CD1 4.16Å; L334-I342 WeakPolarHBondContact O-CA 3.45Å; L334-I342 WeakPolarHBondContact O-CB 3.47Å; V335-I342 HydrophobicContact CG2-CG2 4.33Å; I342-H381 HydrophobicContact CD1-CB 3.35Å; I342-H381 VanDerWaalsContact CD1-CG 3.46Å; I342-H381 HydrophobicContact CG1-CB 4.2Å
343	E	97.7	Very high	92.4	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124	165.6	176.2	-83.9	137.5	0	0	108.5	A110 K112 L143 V333 L334 E345	A110-E343 HydrophobicContact CB-CB 4.07Å; A110-E343 HydrophobicContact CB-CG 3.94Å; A110-E343 WeakPolarHBondContact O-CA 3.41Å; K112-E343 HydrophobicContact CB-CG 4.41Å; K112-E343 WeakPolarHBondContact CB-OE1 3.29Å; L143-E343 HydrophobicContact CD1-CB 4.18Å; V333-E343 CarbonylContact C-O 3.59Å; V333-E343 WeakPolarHBondContact CA-O 3.44Å; L334-E343 HydrophobicContact CB-CB 4.18Å; L334-E343 HydrophobicContact CD2-CB 4.39Å; L334-E343 PolarHBondContact N-O 3.42Å; L334-E343 PolarHBondContact O-N 3.02Å; E343-E345 WeakPolarHBondContact OE1-CB 3.45Å
344	A	97.4	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.1	-177.9	0	0	0	0	0	111	A110 V111 K112 V333 A374 R377	A110-A344 PolarHBondContact O-N 2.99Å; V111-A344 WeakPolarHBondContact CA-O 3.41Å; K112-A344 PolarHBondContact N-O 3.07Å; V333-A344 HydrophobicContact CG2-CB 4.21Å; A344-A374 WeakPolarHBondContact CB-O 3.23Å; A344-R377 HydrophobicContact CB-CB 4.11Å
345	E	96.2	Very high	92.8	Very high	7 Å²	7	39 Å²	39	3%	0.033	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	167.2	178.6	62.1	179.6	174.1	0	0	111.6	K112 N136 R140 S332 E343	K112-E345 HydrophobicContact CB-CB 4.24Å; K112-E345 IonicContact NZ-OE2 2.7Å; N136-E345 PolarHBondContact OD1-OE2 3.2Å; R140-E345 IonicContact CZ-OE1 2.8Å; R140-E345 IonicContact NH2-OE1 3.68Å; R140-E345 PolarHBondContact NH2-OE1 3.28Å; S332-E345 WeakPolarHBondContact CB-O 3.44Å; S332-E345 PolarHBondContact N-O 3.5Å; S332-E345 PolarHBondContact O-N 3.32Å; E343-E345 WeakPolarHBondContact OE1-CB 3.45Å
346	A	91.8	Very high	93.1	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	147.4	163	0	0	0	0	0	109.8	H348 A370	A346-H348 PolarHBondContact O-N 2.76Å; A346-A370 HydrophobicContact CB-CB 3.74Å
347	A	87.9	Confident	93.5	Very high	10 Å²	10	42.9 Å²	42.9	8%	0.083	23%	0.231	C	C	.	.	S	Bend	trans	-71.7	-19.3	177.9	0	0	0	0	0	113.8	R149 M330	R149-A347 PolarHBondContact NH2-O 3.42Å; M330-A347 HydrophobicContact CB-CB 3.86Å; M330-A347 HydrophobicContact CG-CB 3.5Å; M330-A347 VanDerWaalsContact CG-CB 3.5Å; M330-A347 PolarHBondContact O-N 3.39Å
348	H	88.9	Confident	94.4	Very high	25 Å²	25	43.6 Å²	43.6	12%	0.116	23%	0.228	C	C	.	.	S	Bend	trans	-88.7	162.1	-178.2	63.9	67.1	0	0	0	113.4	L327 A346	L327-H348 HydrophobicContact CB-CB 4.15Å; A346-H348 PolarHBondContact O-N 2.76Å
349	G	91.6	Very high	94.9	Very high	49 Å²	49	44.4 Å²	44.4	51%	0.505	23%	0.229	S	C	.	.			trans	-76.6	-161.7	173.6	0	0	0	0	0	114.3	V351	G349-V351 PolarHBondContact O-N 2.99Å
350	T	96.3	Very high	95.6	Very high	10 Å²	10	48.3 Å²	48.3	6%	0.061	23%	0.233	C	C	.	.			trans	-75.2	-3.6	-173.4	57.2	0	0	0	0	115.1	D56 E57 M58 T59 A114 T115 I116	D56-T350 HydrophobicContact CB-CG2 3.99Å; E57-T350 WeakPolarHBondContact OE2-CB 3.24Å; E57-T350 PolarHBondContact OE2-OG1 3.28Å; M58-T350 WeakPolarHBondContact CB-O 3.2Å; M58-T350 PolarHBondContact N-O 2.9Å; T59-T350 WeakPolarHBondContact OG1-CA 3.27Å; A114-T350 HydrophobicContact CB-CG2 4.05Å; T115-T350 VanDerWaalsContact C-CG2 3.46Å; I116-T350 HydrophobicContact CG1-CG2 4.1Å
351	V	95.8	Very high	95.8	Very high	41 Å²	41	46.6 Å²	46.6	25%	0.248	25%	0.246	C	C	.	.			trans	57.1	46.7	-179.2	-156	0	0	0	0	112.4	M58 T59 G349 R353 H354 Y355 T366	M58-V351 HydrophobicContact CB-CB 4.16Å; T59-V351 HydrophobicContact CG2-CG2 4.4Å; G349-V351 PolarHBondContact O-N 2.99Å; V351-R353 PolarHBondContact O-N 2.91Å; V351-H354 HydrophobicContact CB-CB 4.49Å; V351-H354 HydrophobicContact CG1-CB 3.75Å; V351-H354 PolarHBondContact O-N 2.86Å; V351-Y355 PolarHBondContact O-N 3.19Å; V351-Y355 VanDerWaalsContact O-N 3.11Å; V351-T366 HydrophobicContact CB-CG2 4.28Å; V351-T366 HydrophobicContact CG1-CG2 4.15Å; V351-T366 HydrophobicContact CG2-CG2 3.99Å
352	T	96.8	Very high	95.9	Very high	47 Å²	47	53 Å²	53	29%	0.288	27%	0.269	S	S	.	.	H	α-helix	trans	-42.3	-46.3	-178.3	-44.2	0	0	0	0	113.6	E57 R122 H354 Y355 R356	E57-T352 WeakPolarHBondContact OE1-CG2 3.43Å; E57-T352 VanDerWaalsContact OE2-CA 3.29Å; E57-T352 WeakPolarHBondContact OE2-CA 3.42Å; E57-T352 WeakPolarHBondContact OE2-CB 3.31Å; E57-T352 PolarHBondContact OE2-OG1 3.38Å; R122-T352 VanDerWaalsContact NH2-CG2 3.32Å; R122-T352 PolarHBondContact NH2-OG1 2.97Å; R122-T352 VanDerWaalsContact NH2-OG1 3.09Å; T352-H354 VanDerWaalsContact C-N 3.29Å; T352-H354 PolarHBondContact O-N 2.66Å; T352-Y355 WeakPolarHBondContact O-CB 3.32Å; T352-Y355 PolarHBondContact O-N 3.33Å; T352-Y355 VanDerWaalsContact O-N 3.1Å; T352-R356 HydrophobicContact CG2-CG 4.48Å; T352-R356 WeakPolarHBondContact O-CG 3.42Å; T352-R356 PolarHBondContact O-N 2.88Å
353	R	96.7	Very high	95.8	Very high	176 Å²	176	57.2 Å²	57.2	66%	0.664	30%	0.297	S	S	*	.	H	α-helix	trans	-59	-39.8	-178.5	-171	-179.2	61.3	66.8	1.4	112.3	V351	V351-R353 PolarHBondContact O-N 2.91Å
354	H	98.1	Very high	95.9	Very high	34 Å²	34	58.1 Å²	58.1	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-74.1	-38	176.7	-70.7	-163.5	0	0	0	110.8	M58 V351 T352 R356 E357 H358 T364 S365 T366	M58-H354 HydrophobicContact CG-CB 4.15Å; M58-H354 HydrophobicContact SD-CB 4.41Å; V351-H354 HydrophobicContact CB-CB 4.49Å; V351-H354 HydrophobicContact CG1-CB 3.75Å; V351-H354 PolarHBondContact O-N 2.86Å; T352-H354 VanDerWaalsContact C-N 3.29Å; T352-H354 PolarHBondContact O-N 2.66Å; H354-R356 VanDerWaalsContact C-N 3.28Å; H354-R356 PolarHBondContact O-N 2.9Å; H354-E357 PolarHBondContact O-N 3.09Å; H354-E357 VanDerWaalsContact O-N 3.1Å; H354-H358 PolarHBondContact O-N 3.27Å; H354-T364 HydrophobicContact CB-CG2 4.35Å; H354-T364 VanDerWaalsContact O-CG2 3.3Å; H354-T364 WeakPolarHBondContact O-CG2 3.01Å; H354-S365 PolarHBondContact CE1-O 3.29Å; H354-T366 WeakPolarHBondContact CB-OG1 3.13Å; H354-T366 PolarHBondContact ND1-OG1 3.43Å
355	Y	98.3	Very high	95.9	Very high	57 Å²	57	58.6 Å²	58.6	22%	0.224	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-39.5	174	-173	-117.6	0	0	0	112.3	E57 I61 V351 T352 E357 H358 Q359	E57-Y355 VanDerWaalsContact C-CD2 3.41Å; E57-Y355 HydrophobicContact CB-CD1 3.64Å; E57-Y355 HydrophobicContact CB-CD2 3.89Å; E57-Y355 HydrophobicContact CB-CE1 4.15Å; E57-Y355 HydrophobicContact CB-CE2 4.38Å; E57-Y355 HydrophobicContact CB-CG 3.49Å; E57-Y355 VanDerWaalsContact CB-CG 3.49Å; E57-Y355 HydrophobicContact CG-CD1 3.61Å; E57-Y355 HydrophobicContact CG-CE1 3.94Å; E57-Y355 HydrophobicContact CG-CG 4.03Å; I61-Y355 HydrophobicContact CD1-CD2 4.05Å; I61-Y355 HydrophobicContact CD1-CE2 3.96Å; V351-Y355 PolarHBondContact O-N 3.19Å; V351-Y355 VanDerWaalsContact O-N 3.11Å; T352-Y355 WeakPolarHBondContact O-CB 3.32Å; T352-Y355 PolarHBondContact O-N 3.33Å; T352-Y355 VanDerWaalsContact O-N 3.1Å; Y355-E357 VanDerWaalsContact C-N 3.31Å; Y355-E357 PolarHBondContact O-N 2.88Å; Y355-H358 WeakPolarHBondContact O-CB 3.46Å; Y355-H358 PolarHBondContact O-N 3.23Å; Y355-Q359 HydrophobicContact CD1-CG 4.18Å; Y355-Q359 VanDerWaalsContact CE1-CD 3.46Å; Y355-Q359 HydrophobicContact CE1-CG 3.88Å; Y355-Q359 HydrophobicContact CE2-CG 4.34Å; Y355-Q359 WeakPolarHBondContact O-CG 3.28Å; Y355-Q359 PolarHBondContact O-N 2.9Å
356	R	97.8	Very high	96	Very high	65 Å²	65	58.5 Å²	58.5	25%	0.245	31%	0.306	C	S	.	.	H	α-helix	trans	-62.8	-33.5	175	-61.2	-40.9	179.9	-166.7	0	113.7	E57 E125 T352 H354 K360	E57-R356 IonicContact OE1-NH2 3.17Å; E125-R356 IonicContact OE1-CZ 3.71Å; E125-R356 IonicContact OE1-NH1 3.33Å; E125-R356 PolarHBondContact OE1-NH1 3.33Å; E125-R356 IonicContact OE1-NH2 2.85Å; E125-R356 PolarHBondContact OE1-NH2 3.19Å; E125-R356 IonicContact OE2-NH2 2.82Å; E125-R356 PolarHBondContact OE2-NH2 2.74Å; T352-R356 HydrophobicContact CG2-CG 4.48Å; T352-R356 WeakPolarHBondContact O-CG 3.42Å; T352-R356 PolarHBondContact O-N 2.88Å; H354-R356 VanDerWaalsContact C-N 3.28Å; H354-R356 PolarHBondContact O-N 2.9Å; R356-K360 WeakPolarHBondContact O-CD 3.24Å; R356-K360 WeakPolarHBondContact O-CE 3.08Å; R356-K360 WeakPolarHBondContact O-CG 3.09Å
357	E	98.4	Very high	96.3	Very high	49 Å²	49	58.4 Å²	58.4	23%	0.229	30%	0.304	C	S	.	.	H	α-helix	trans	-74.9	-38.5	173.4	-66.6	-58.1	100.5	0	0	111.3	H354 Y355 Q359 K360 G361 R362 T364	H354-E357 PolarHBondContact O-N 3.09Å; H354-E357 VanDerWaalsContact O-N 3.1Å; Y355-E357 VanDerWaalsContact C-N 3.31Å; Y355-E357 PolarHBondContact O-N 2.88Å; E357-Q359 PolarHBondContact O-N 2.9Å; E357-K360 WeakPolarHBondContact O-CB 3.18Å; E357-K360 PolarHBondContact O-N 3.25Å; E357-K360 VanDerWaalsContact O-N 3.08Å; E357-K360 IonicContact OE1-NZ 3.58Å; E357-K360 PolarHBondContact OE1-NZ 3.47Å; E357-G361 PolarHBondContact O-N 3.03Å; E357-R362 HydrophobicContact CB-CB 4.21Å; E357-R362 WeakPolarHBondContact O-CB 3.31Å; E357-R362 PolarHBondContact O-N 2.96Å; E357-R362 IonicContact OE1-NH1 2.75Å; E357-R362 WeakPolarHBondContact OE2-CD 3.46Å; E357-R362 IonicContact OE2-CZ 2.9Å; E357-R362 IonicContact OE2-NE 2.82Å; E357-R362 IonicContact OE2-NH1 2.69Å; E357-R362 PolarHBondContact OE2-NH1 2.82Å; E357-T364 HydrophobicContact CB-CG2 4.3Å
358	H	98	Very high	96.8	Very high	80 Å²	80	58 Å²	58	37%	0.37	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-44.5	172.9	174.9	77.2	0	0	0	112.2	M58 I61 H354 Y355 K360 G361 T364	M58-H358 HydrophobicContact SD-CB 4.15Å; I61-H358 WeakPolarHBondContact CD1-CD2 3.36Å; I61-H358 VanDerWaalsContact CD1-NE2 3.27Å; I61-H358 WeakPolarHBondContact CD1-NE2 3.47Å; H354-H358 PolarHBondContact O-N 3.27Å; Y355-H358 WeakPolarHBondContact O-CB 3.46Å; Y355-H358 PolarHBondContact O-N 3.23Å; H358-K360 PolarHBondContact O-N 3.07Å; H358-K360 VanDerWaalsContact O-N 3.14Å; H358-G361 PolarHBondContact O-N 3.28Å; H358-T364 HydrophobicContact CB-CG2 3.94Å
359	Q	97.8	Very high	97.3	Very high	106 Å²	106	56.8 Å²	56.8	50%	0.495	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-25.6	175.7	-73.3	-176.9	-64.4	0	0	112.9	Y355 E357 G361	Y355-Q359 HydrophobicContact CD1-CG 4.18Å; Y355-Q359 VanDerWaalsContact CE1-CD 3.46Å; Y355-Q359 HydrophobicContact CE1-CG 3.88Å; Y355-Q359 HydrophobicContact CE2-CG 4.34Å; Y355-Q359 WeakPolarHBondContact O-CG 3.28Å; Y355-Q359 PolarHBondContact O-N 2.9Å; E357-Q359 PolarHBondContact O-N 2.9Å; Q359-G361 VanDerWaalsContact C-N 3.35Å
360	K	98	Very high	97.5	Very high	128 Å²	128	54.5 Å²	54.5	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3.5	175.9	-61.1	167.1	-164.6	167.3	0	113.2	R356 E357 H358 R362	R356-K360 WeakPolarHBondContact O-CD 3.24Å; R356-K360 WeakPolarHBondContact O-CE 3.08Å; R356-K360 WeakPolarHBondContact O-CG 3.09Å; E357-K360 WeakPolarHBondContact O-CB 3.18Å; E357-K360 PolarHBondContact O-N 3.25Å; E357-K360 VanDerWaalsContact O-N 3.08Å; E357-K360 IonicContact OE1-NZ 3.58Å; E357-K360 PolarHBondContact OE1-NZ 3.47Å; H358-K360 PolarHBondContact O-N 3.07Å; H358-K360 VanDerWaalsContact O-N 3.14Å; K360-R362 VanDerWaalsContact C-N 3.25Å; K360-R362 HydrophobicContact CB-CG 4.33Å; K360-R362 PolarHBondContact O-N 2.73Å
361	G	97.4	Very high	97.6	Very high	70 Å²	70	54.1 Å²	54.1	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	16.4	-174.7	0	0	0	0	0	114.4	E357 H358 Q359	E357-G361 PolarHBondContact O-N 3.03Å; H358-G361 PolarHBondContact O-N 3.28Å; Q359-G361 VanDerWaalsContact C-N 3.35Å
362	R	96.9	Very high	97.7	Very high	140 Å²	140	52.2 Å²	52.2	53%	0.528	26%	0.257	S	S	.	.			trans	-86.7	150.3	179	-71.4	177.5	175	177.7	-2	111.3	E357 K360 T364	E357-R362 HydrophobicContact CB-CB 4.21Å; E357-R362 WeakPolarHBondContact O-CB 3.31Å; E357-R362 PolarHBondContact O-N 2.96Å; E357-R362 IonicContact OE1-NH1 2.75Å; E357-R362 WeakPolarHBondContact OE2-CD 3.46Å; E357-R362 IonicContact OE2-CZ 2.9Å; E357-R362 IonicContact OE2-NE 2.82Å; E357-R362 IonicContact OE2-NH1 2.69Å; E357-R362 PolarHBondContact OE2-NH1 2.82Å; K360-R362 VanDerWaalsContact C-N 3.25Å; K360-R362 HydrophobicContact CB-CG 4.33Å; K360-R362 PolarHBondContact O-N 2.73Å; R362-T364 PolarHBondContact O-N 3.23Å
363	P	95	Very high	97.8	Very high	98 Å²	98	50.2 Å²	50.2	64%	0.636	25%	0.245	S	C	*	.			trans	-61.9	135.9	179	25.3	-34	0	0	0	111.1	L427	P363-L427 HydrophobicContact CB-CD2 4.27Å; P363-L427 HydrophobicContact CG-CD2 4.49Å
364	T	98.2	Very high	97.9	Very high	20 Å²	20	42 Å²	42	12%	0.123	21%	0.214	C	C	.	.			trans	-113.9	156.4	172.6	61.2	0	0	0	0	109.9	M58 H354 E357 H358 R362 N433 T434	M58-T364 HydrophobicContact SD-CG2 4.31Å; H354-T364 HydrophobicContact CB-CG2 4.35Å; H354-T364 VanDerWaalsContact O-CG2 3.3Å; H354-T364 WeakPolarHBondContact O-CG2 3.01Å; E357-T364 HydrophobicContact CB-CG2 4.3Å; H358-T364 HydrophobicContact CB-CG2 3.94Å; R362-T364 PolarHBondContact O-N 3.23Å; T364-N433 CarbonylContact O-C 3.6Å; T364-N433 WeakPolarHBondContact O-CA 3.22Å; T364-N433 VanDerWaalsContact O-CB 3.3Å; T364-N433 WeakPolarHBondContact O-CB 3.49Å; T364-T434 VanDerWaalsContact C-OG1 3.28Å; T364-T434 PolarHBondContact O-N 3.36Å; T364-T434 PolarHBondContact O-OG1 3.42Å; T364-T434 PolarHBondContact OG1-OG1 3.37Å
365	S	98.4	Very high	97.9	Very high	10 Å²	10	40.3 Å²	40.3	7%	0.07	21%	0.207	C	C	.	.			trans	-138.1	76.2	171.8	-173.6	0	0	0	0	107.9	H354 T412 K413 L432 T434	H354-S365 PolarHBondContact CE1-O 3.29Å; S365-T412 WeakPolarHBondContact OG-CA 3.33Å; S365-T412 WeakPolarHBondContact OG-CB 3.35Å; S365-K413 PolarHBondContact OG-N 3.37Å; S365-L432 WeakPolarHBondContact CB-O 3.37Å; S365-L432 PolarHBondContact OG-O 3.45Å; S365-T434 PolarHBondContact N-OG1 3.23Å
366	T	98.2	Very high	97.9	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.031	20%	0.196	C	C	.	.			trans	-96.5	125.3	179.9	-52	0	0	0	0	108.6	M58 I62 V351 H354 P368 T434	M58-T366 HydrophobicContact CG-CG2 3.94Å; M58-T366 WeakPolarHBondContact CG-OG1 3.3Å; I62-T366 HydrophobicContact CD1-CG2 3.56Å; V351-T366 HydrophobicContact CB-CG2 4.28Å; V351-T366 HydrophobicContact CG1-CG2 4.15Å; V351-T366 HydrophobicContact CG2-CG2 3.99Å; H354-T366 WeakPolarHBondContact CB-OG1 3.13Å; H354-T366 PolarHBondContact ND1-OG1 3.43Å; T366-P368 VanDerWaalsContact O-CD 3.28Å; T366-P368 WeakPolarHBondContact O-CD 3.48Å; T366-T434 PolarHBondContact N-OG1 3.25Å
367	N	97.7	Very high	97.9	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	19%	0.194	C	C	.	.			trans	-69	117.3	-179.4	-170.7	-19.6	0	0	0	111.5	I369 T412 D414	N367-I369 VanDerWaalsContact OD1-CB 3.3Å; N367-I369 WeakPolarHBondContact OD1-CB 3.35Å; N367-I369 VanDerWaalsContact OD1-CG1 3.24Å; N367-I369 WeakPolarHBondContact OD1-CG1 3.27Å; N367-I369 PolarHBondContact OD1-N 2.94Å; N367-T412 WeakPolarHBondContact CB-OG1 3.44Å; N367-D414 WeakPolarHBondContact CB-OD2 3.2Å; N367-D414 PolarHBondContact ND2-OD2 2.95Å
368	P	98.4	Very high	97.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.			trans	-88.9	-5.8	-178.4	37.6	-37.3	0	0	0	113.5	I62 T366 A370 S371 I372 F437 L438	I62-P368 HydrophobicContact CG2-CB 3.56Å; T366-P368 VanDerWaalsContact O-CD 3.28Å; T366-P368 WeakPolarHBondContact O-CD 3.48Å; P368-A370 PolarHBondContact O-N 3.23Å; P368-S371 WeakPolarHBondContact O-CA 3.49Å; P368-S371 WeakPolarHBondContact O-CB 3.45Å; P368-S371 PolarHBondContact O-N 3.03Å; P368-I372 HydrophobicContact CB-CD1 4.27Å; P368-I372 HydrophobicContact CG-CD1 4.26Å; P368-I372 WeakPolarHBondContact O-CG1 3.14Å; P368-I372 PolarHBondContact O-N 2.7Å; P368-F437 VanDerWaalsContact CD-CD1 3.46Å; P368-F437 HydrophobicContact CG-CD1 3.57Å; P368-F437 HydrophobicContact CG-CE1 3.68Å; P368-L438 HydrophobicContact CB-CD2 3.6Å; P368-L438 HydrophobicContact CB-CG 4.21Å; P368-L438 HydrophobicContact CG-CD2 3.67Å; P368-L438 HydrophobicContact CG-CG 4.06Å
369	I	98.5	Very high	97.9	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-47.8	-166.9	-65.7	170.9	0	0	0	111.3	I152 L329 N367 S371 I372 F373 C402 V406 L415 F437	I152-I369 HydrophobicContact CD1-CG2 3.69Å; I152-I369 HydrophobicContact CG2-CG2 4.42Å; L329-I369 HydrophobicContact CD2-CB 4.25Å; L329-I369 HydrophobicContact CD2-CD1 3.82Å; L329-I369 HydrophobicContact CD2-CG2 4.05Å; N367-I369 VanDerWaalsContact OD1-CB 3.3Å; N367-I369 WeakPolarHBondContact OD1-CB 3.35Å; N367-I369 VanDerWaalsContact OD1-CG1 3.24Å; N367-I369 WeakPolarHBondContact OD1-CG1 3.27Å; N367-I369 PolarHBondContact OD1-N 2.94Å; I369-S371 PolarHBondContact O-N 2.78Å; I369-I372 WeakPolarHBondContact O-CB 3.45Å; I369-I372 PolarHBondContact O-N 3.42Å; I369-I372 VanDerWaalsContact O-N 3.09Å; I369-F373 HydrophobicContact CG2-CD2 3.72Å; I369-F373 HydrophobicContact CG2-CE2 3.67Å; I369-F373 VanDerWaalsContact O-CD2 3.27Å; I369-F373 WeakPolarHBondContact O-CD2 3.35Å; I369-F373 PolarHBondContact O-N 3.14Å; I369-C402 HydrophobicContact CG1-CB 4.32Å; I369-C402 HydrophobicContact CG2-CB 4.16Å; I369-V406 HydrophobicContact CD1-CG2 3.51Å; I369-L415 HydrophobicContact CD1-CD1 4.34Å; I369-F437 HydrophobicContact CD1-CE1 4.24Å; I369-F437 HydrophobicContact CD1-CZ 4.05Å; I369-F437 HydrophobicContact CG1-CE1 4.05Å; I369-F437 HydrophobicContact CG1-CZ 4.3Å
370	A	96.7	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.1	-36.3	175.9	0	0	0	0	0	112.9	G328 M330 A346 P368 F373 A374	G328-A370 WeakPolarHBondContact O-CB 3.31Å; G328-A370 PolarHBondContact O-N 3.13Å; M330-A370 WeakPolarHBondContact O-CB 3.42Å; A346-A370 HydrophobicContact CB-CB 3.74Å; P368-A370 PolarHBondContact O-N 3.23Å; A370-F373 PolarHBondContact O-N 2.97Å; A370-A374 PolarHBondContact O-N 3.22Å
371	S	98.2	Very high	97.9	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.021	13%	0.129	C	C	.	.	H	α-helix	trans	-70.5	-36.6	175.8	-61.1	0	0	0	0	112.1	P368 I369 F373 A374 W375	P368-S371 WeakPolarHBondContact O-CA 3.49Å; P368-S371 WeakPolarHBondContact O-CB 3.45Å; P368-S371 PolarHBondContact O-N 3.03Å; I369-S371 PolarHBondContact O-N 2.78Å; S371-F373 VanDerWaalsContact C-N 3.32Å; S371-A374 WeakPolarHBondContact O-CB 3.3Å; S371-A374 PolarHBondContact O-N 3.24Å; S371-W375 PolarHBondContact O-N 3.04Å
372	I	98.7	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-39.1	171.6	-65.5	165.4	0	0	0	110.4	I66 L70 P368 I369 A374 W375 T376 L398 L438 I441	I66-I372 HydrophobicContact CD1-CG1 3.65Å; I66-I372 HydrophobicContact CG1-CG1 3.75Å; I66-I372 HydrophobicContact CG2-CG1 4.4Å; L70-I372 HydrophobicContact CD1-CD1 3.89Å; L70-I372 HydrophobicContact CD1-CG1 4.06Å; P368-I372 HydrophobicContact CB-CD1 4.27Å; P368-I372 HydrophobicContact CG-CD1 4.26Å; P368-I372 WeakPolarHBondContact O-CG1 3.14Å; P368-I372 PolarHBondContact O-N 2.7Å; I369-I372 WeakPolarHBondContact O-CB 3.45Å; I369-I372 PolarHBondContact O-N 3.42Å; I369-I372 VanDerWaalsContact O-N 3.09Å; I372-A374 VanDerWaalsContact C-N 3.34Å; I372-W375 WeakPolarHBondContact O-CB 3.3Å; I372-W375 PolarHBondContact O-N 3.2Å; I372-T376 HydrophobicContact CG2-CG2 4.36Å; I372-T376 PolarHBondContact O-N 3.43Å; I372-T376 PolarHBondContact O-OG1 3.19Å; I372-L398 HydrophobicContact CG2-CD1 4.06Å; I372-L398 HydrophobicContact CG2-CD2 3.84Å; I372-L398 HydrophobicContact CG2-CG 3.7Å; I372-L438 HydrophobicContact CD1-CD2 4.48Å; I372-I441 HydrophobicContact CD1-CG2 4.2Å
373	F	98.4	Very high	98	Very high	5 Å²	5	13 Å²	13	2%	0.022	7%	0.071	C	C	.	.	H	α-helix	trans	-68.5	-32.3	178.2	-86.6	-121.2	0	0	0	112.4	I152 T331 I369 A370 S371 W375 T376 R377 E399 C402 V403	I152-F373 HydrophobicContact CD1-CB 3.95Å; I152-F373 HydrophobicContact CD1-CD1 3.44Å; I152-F373 VanDerWaalsContact CD1-CD1 3.44Å; I152-F373 HydrophobicContact CD1-CD2 3.74Å; I152-F373 HydrophobicContact CD1-CE1 3.76Å; I152-F373 HydrophobicContact CD1-CE2 4.04Å; I152-F373 HydrophobicContact CD1-CG 3.41Å; I152-F373 VanDerWaalsContact CD1-CG 3.41Å; I152-F373 HydrophobicContact CD1-CZ 4.04Å; I152-F373 HydrophobicContact CG1-CD1 3.8Å; I152-F373 HydrophobicContact CG1-CE1 3.81Å; I152-F373 HydrophobicContact CG1-CG 4.29Å; I152-F373 HydrophobicContact CG1-CZ 4.33Å; I152-F373 HydrophobicContact CG2-CE1 3.93Å; I152-F373 HydrophobicContact CG2-CE2 4.37Å; I152-F373 HydrophobicContact CG2-CZ 3.74Å; T331-F373 HydrophobicContact CG2-CB 3.74Å; T331-F373 HydrophobicContact CG2-CD1 3.67Å; T331-F373 HydrophobicContact CG2-CG 4.11Å; I369-F373 HydrophobicContact CG2-CD2 3.72Å; I369-F373 HydrophobicContact CG2-CE2 3.67Å; I369-F373 VanDerWaalsContact O-CD2 3.27Å; I369-F373 WeakPolarHBondContact O-CD2 3.35Å; I369-F373 PolarHBondContact O-N 3.14Å; A370-F373 PolarHBondContact O-N 2.97Å; S371-F373 VanDerWaalsContact C-N 3.32Å; F373-W375 VanDerWaalsContact C-N 3.33Å; F373-W375 PolarHBondContact O-N 2.9Å; F373-T376 VanDerWaalsContact CA-OG1 3.26Å; F373-T376 WeakPolarHBondContact CA-OG1 3.44Å; F373-T376 PolarHBondContact O-N 3.38Å; F373-T376 PolarHBondContact O-OG1 2.98Å; F373-R377 VanDerWaalsContact O-CB 3.26Å; F373-R377 WeakPolarHBondContact O-CB 3.11Å; F373-R377 WeakPolarHBondContact O-CG 3.32Å; F373-R377 PolarHBondContact O-N 3.31Å; F373-E399 HydrophobicContact CD1-CG 3.9Å; F373-E399 HydrophobicContact CD2-CG 4.24Å; F373-E399 HydrophobicContact CE1-CB 3.89Å; F373-E399 VanDerWaalsContact CE1-CD 3.44Å; F373-E399 HydrophobicContact CE1-CG 3.59Å; F373-E399 VanDerWaalsContact CE1-OE2 3.29Å; F373-E399 WeakPolarHBondContact CE1-OE2 3.33Å; F373-E399 HydrophobicContact CE2-CB 4.02Å; F373-E399 HydrophobicContact CE2-CG 3.95Å; F373-E399 HydrophobicContact CG-CG 4.24Å; F373-E399 HydrophobicContact CZ-CB 3.53Å; F373-E399 HydrophobicContact CZ-CG 3.63Å; F373-C402 HydrophobicContact CE2-CB 3.87Å; F373-V403 HydrophobicContact CZ-CG2 4.43Å
374	A	98.3	Very high	98.1	Very high	3 Å²	3	13 Å²	13	3%	0.025	6%	0.06	C	C	.	.	H	α-helix	trans	-56.8	-47.7	169.8	0	0	0	0	0	111.4	W63 V111 A344 A370 S371 I372 G378	W63-A374 HydrophobicContact CH2-CB 4.31Å; W63-A374 HydrophobicContact CZ3-CB 4.21Å; V111-A374 WeakPolarHBondContact CG1-O 3.3Å; A344-A374 WeakPolarHBondContact CB-O 3.23Å; A370-A374 PolarHBondContact O-N 3.22Å; S371-A374 WeakPolarHBondContact O-CB 3.3Å; S371-A374 PolarHBondContact O-N 3.24Å; I372-A374 VanDerWaalsContact C-N 3.34Å; A374-G378 PolarHBondContact O-N 3.14Å; A374-G378 VanDerWaalsContact O-N 3.15Å
375	W	98.8	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-60.7	-53.6	175.2	-83.5	92.6	0	0	0	112.7	E52 W63 I66 K67 I71 L79 V111 S371 I372 F373 R377 G378 L379	E52-W375 HydrophobicContact CG-CH2 4.03Å; E52-W375 HydrophobicContact CG-CZ2 4.05Å; W63-W375 AromaticContact CD2-NE1 3.4Å; W63-W375 AromaticContact CE2-CE2 3.68Å; W63-W375 AromaticContact CE2-CZ2 3.7Å; W63-W375 AromaticContact CE2-NE1 3.23Å; W63-W375 AromaticContact CE3-CD1 3.9Å; W63-W375 AromaticContact CE3-NE1 3.45Å; W63-W375 AromaticContact CH2-CD1 3.5Å; W63-W375 VanDerWaalsContact CH2-CD1 3.5Å; W63-W375 AromaticContact CH2-CE2 3.91Å; W63-W375 HydrophobicContact CH2-CG 4.32Å; W63-W375 AromaticContact CH2-NE1 3.22Å; W63-W375 AromaticContact CZ2-CD1 3.92Å; W63-W375 HydrophobicContact CZ2-CD2 4.42Å; W63-W375 AromaticContact CZ2-CE2 3.5Å; W63-W375 AromaticContact CZ2-CZ2 3.73Å; W63-W375 HydrophobicContact CZ2-CZ2 3.73Å; W63-W375 AromaticContact CZ2-NE1 3.15Å; W63-W375 AromaticContact CZ3-CD1 3.48Å; W63-W375 VanDerWaalsContact CZ3-CD1 3.48Å; W63-W375 AromaticContact CZ3-NE1 3.36Å; W63-W375 AromaticContact NE1-CZ2 3.68Å; W63-W375 AromaticContact NE1-NE1 3.97Å; I66-W375 HydrophobicContact CG2-CB 4.41Å; I66-W375 VanDerWaalsContact CG2-CD1 3.44Å; I66-W375 HydrophobicContact CG2-CD2 4.5Å; I66-W375 HydrophobicContact CG2-CG 3.87Å; K67-W375 HydrophobicContact CB-CH2 4.45Å; K67-W375 HydrophobicContact CB-CZ2 4.03Å; K67-W375 HydrophobicContact CG-CH2 4.37Å; K67-W375 HydrophobicContact CG-CZ2 4.39Å; I71-W375 HydrophobicContact CB-CE3 4.45Å; I71-W375 HydrophobicContact CD1-CB 4.1Å; I71-W375 HydrophobicContact CD1-CG 4.43Å; I71-W375 HydrophobicContact CG1-CB 4.39Å; I71-W375 HydrophobicContact CG1-CD2 3.97Å; I71-W375 HydrophobicContact CG1-CE3 3.91Å; I71-W375 HydrophobicContact CG1-CG 4.19Å; I71-W375 HydrophobicContact CG2-CE3 4.05Å; I71-W375 HydrophobicContact CG2-CZ3 4.14Å; L79-W375 HydrophobicContact CD1-CH2 3.91Å; L79-W375 HydrophobicContact CD1-CZ3 4.31Å; L79-W375 HydrophobicContact CD2-CH2 4.16Å; L79-W375 HydrophobicContact CD2-CZ3 3.97Å; V111-W375 HydrophobicContact CG2-CD2 4.15Å; V111-W375 HydrophobicContact CG2-CE3 4.01Å; V111-W375 HydrophobicContact CG2-CH2 4.07Å; V111-W375 HydrophobicContact CG2-CZ2 4.2Å; V111-W375 HydrophobicContact CG2-CZ3 3.98Å; S371-W375 PolarHBondContact O-N 3.04Å; I372-W375 WeakPolarHBondContact O-CB 3.3Å; I372-W375 PolarHBondContact O-N 3.2Å; F373-W375 VanDerWaalsContact C-N 3.33Å; F373-W375 PolarHBondContact O-N 2.9Å; W375-R377 VanDerWaalsContact C-N 3.34Å; W375-R377 PolarHBondContact O-N 3.21Å; W375-G378 PolarHBondContact O-N 3.35Å; W375-L379 VanDerWaalsContact O-CG 3.31Å; W375-L379 WeakPolarHBondContact O-CG 3.32Å; W375-L379 PolarHBondContact O-N 3.44Å
376	T	98.6	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-37.9	-175.7	50.3	0	0	0	0	112.1	I372 F373 L379 E380 A395 L398 E399	I372-T376 HydrophobicContact CG2-CG2 4.36Å; I372-T376 PolarHBondContact O-N 3.43Å; I372-T376 PolarHBondContact O-OG1 3.19Å; F373-T376 VanDerWaalsContact CA-OG1 3.26Å; F373-T376 WeakPolarHBondContact CA-OG1 3.44Å; F373-T376 PolarHBondContact O-N 3.38Å; F373-T376 PolarHBondContact O-OG1 2.98Å; T376-L379 PolarHBondContact O-N 2.95Å; T376-E380 VanDerWaalsContact O-CB 3.29Å; T376-E380 WeakPolarHBondContact O-CB 3.17Å; T376-E380 PolarHBondContact O-N 3.47Å; T376-A395 HydrophobicContact CG2-CB 4.46Å; T376-A395 WeakPolarHBondContact O-CB 3.4Å; T376-L398 HydrophobicContact CG2-CB 3.79Å; T376-L398 HydrophobicContact CG2-CD2 3.66Å; T376-L398 HydrophobicContact CG2-CG 3.74Å; T376-E399 HydrophobicContact CG2-CG 4.15Å; T376-E399 VanDerWaalsContact OG1-CG 3.3Å; T376-E399 WeakPolarHBondContact OG1-CG 3.4Å; T376-E399 PolarHBondContact OG1-OE1 3.36Å
377	R	97.5	Very high	98.1	Very high	55 Å²	55	18.6 Å²	18.6	21%	0.208	10%	0.1	C	C	.	.	H	α-helix	trans	-63.7	-42.4	174.5	-67	-71.5	159.4	128.2	-2.1	112.3	V333 A344 F373 W375 H381 E399	V333-R377 HydrophobicContact CG2-CB 4.34Å; V333-R377 HydrophobicContact CG2-CG 4.46Å; A344-R377 HydrophobicContact CB-CB 4.11Å; F373-R377 VanDerWaalsContact O-CB 3.26Å; F373-R377 WeakPolarHBondContact O-CB 3.11Å; F373-R377 WeakPolarHBondContact O-CG 3.32Å; F373-R377 PolarHBondContact O-N 3.31Å; W375-R377 VanDerWaalsContact C-N 3.34Å; W375-R377 PolarHBondContact O-N 3.21Å; R377-H381 WeakPolarHBondContact O-CB 3.46Å; R377-H381 PolarHBondContact O-N 3.4Å; R377-H381 VanDerWaalsContact O-N 3.07Å; R377-E399 IonicContact CZ-OE1 3.47Å; R377-E399 IonicContact CZ-OE2 2.74Å; R377-E399 IonicContact NE-OE1 3.64Å; R377-E399 PolarHBondContact NE-OE1 2.98Å; R377-E399 IonicContact NE-OE2 3.57Å; R377-E399 IonicContact NH2-OE1 3.38Å; R377-E399 PolarHBondContact NH2-OE1 3.36Å; R377-E399 IonicContact NH2-OE2 3.3Å; R377-E399 PolarHBondContact NH2-OE2 2.88Å
378	G	98.3	Very high	98.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-48.1	172.6	0	0	0	0	0	112.3	V109 A374 W375 H381 R382	V109-G378 VanDerWaalsContact CG1-O 3.3Å; V109-G378 WeakPolarHBondContact CG1-O 3.3Å; A374-G378 PolarHBondContact O-N 3.14Å; A374-G378 VanDerWaalsContact O-N 3.15Å; W375-G378 PolarHBondContact O-N 3.35Å; G378-H381 PolarHBondContact O-N 3.48Å; G378-R382 WeakPolarHBondContact O-CB 3.38Å; G378-R382 PolarHBondContact O-N 2.95Å
379	L	98.7	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-41.3	179.9	-66.6	178.7	0	0	0	112.8	I71 I77 W375 T376 H381 R382 G383 L391 F394 A395	I71-L379 HydrophobicContact CD1-CD1 4.05Å; I71-L379 HydrophobicContact CG2-CD1 3.98Å; I77-L379 HydrophobicContact CD1-CD2 3.55Å; W375-L379 VanDerWaalsContact O-CG 3.31Å; W375-L379 WeakPolarHBondContact O-CG 3.32Å; W375-L379 PolarHBondContact O-N 3.44Å; T376-L379 PolarHBondContact O-N 2.95Å; L379-H381 VanDerWaalsContact C-N 3.31Å; L379-H381 PolarHBondContact O-N 3.31Å; L379-R382 PolarHBondContact O-N 3.15Å; L379-G383 PolarHBondContact O-N 2.84Å; L379-L391 HydrophobicContact CB-CD1 4.08Å; L379-L391 HydrophobicContact CB-CG 4.29Å; L379-L391 HydrophobicContact CD1-CD1 4.48Å; L379-L391 HydrophobicContact CD2-CD1 4.26Å; L379-L391 HydrophobicContact CG-CD1 4.5Å; L379-L391 VanDerWaalsContact O-CD2 3.28Å; L379-L391 WeakPolarHBondContact O-CD2 3.39Å; L379-L391 WeakPolarHBondContact O-CG 3.37Å; L379-F394 HydrophobicContact CD1-CD1 4.29Å; L379-F394 HydrophobicContact CD1-CE1 3.92Å; L379-A395 HydrophobicContact CB-CB 4.39Å
380	E	98.3	Very high	98.1	Very high	26 Å²	26	28.9 Å²	28.9	12%	0.121	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-42.7	176.6	-163.7	-161.3	170	0	0	110.4	T376 G383 K384 I392 A395	T376-E380 VanDerWaalsContact O-CB 3.29Å; T376-E380 WeakPolarHBondContact O-CB 3.17Å; T376-E380 PolarHBondContact O-N 3.47Å; E380-G383 PolarHBondContact O-N 3.36Å; E380-K384 WeakPolarHBondContact O-CG 3.21Å; E380-K384 PolarHBondContact O-N 3.45Å; E380-K384 WeakPolarHBondContact OE1-CE 3.31Å; E380-K384 IonicContact OE1-NZ 2.63Å; E380-K384 PolarHBondContact OE1-NZ 2.9Å; E380-K384 IonicContact OE2-NZ 3.79Å; E380-K384 PolarHBondContact OE2-NZ 3.3Å; E380-I392 HydrophobicContact CG-CG1 4.44Å; E380-I392 HydrophobicContact CG-CG2 4.12Å; E380-A395 HydrophobicContact CB-CB 3.88Å; E380-A395 HydrophobicContact CG-CB 4.49Å
381	H	96.8	Very high	98.2	Very high	33 Å²	33	28.9 Å²	28.9	15%	0.153	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-41.4	177.2	-166.1	71.8	0	0	0	112.6	K340 I342 R377 G378 L379 G383 K384 L385	K340-H381 PolarHBondContact O-NE2 3.1Å; I342-H381 HydrophobicContact CD1-CB 3.35Å; I342-H381 VanDerWaalsContact CD1-CG 3.46Å; I342-H381 HydrophobicContact CG1-CB 4.2Å; R377-H381 WeakPolarHBondContact O-CB 3.46Å; R377-H381 PolarHBondContact O-N 3.4Å; R377-H381 VanDerWaalsContact O-N 3.07Å; G378-H381 PolarHBondContact O-N 3.48Å; L379-H381 VanDerWaalsContact C-N 3.31Å; L379-H381 PolarHBondContact O-N 3.31Å; H381-G383 PolarHBondContact O-N 2.93Å; H381-K384 WeakPolarHBondContact O-CB 3.3Å; H381-K384 PolarHBondContact O-N 3.11Å; H381-L385 WeakPolarHBondContact O-CG 2.87Å; H381-L385 PolarHBondContact O-N 3.06Å
382	R	98.6	Very high	98.2	Very high	8 Å²	8	29.3 Å²	29.3	3%	0.03	15%	0.154	C	C	.	.	H	α-helix	trans	-55.7	-43.6	169.7	178.9	68.6	-86.8	151.1	5.4	111	V46 V50 Y107 V109 G378 L379 L385 D386 L391	V46-R382 HydrophobicContact CG1-CG 3.77Å; V50-R382 HydrophobicContact CG2-CB 3.95Å; V50-R382 HydrophobicContact CG2-CG 3.91Å; Y107-R382 PolarHBondContact O-NH1 3.27Å; V109-R382 HydrophobicContact CG2-CB 4.29Å; G378-R382 WeakPolarHBondContact O-CB 3.38Å; G378-R382 PolarHBondContact O-N 2.95Å; L379-R382 PolarHBondContact O-N 3.15Å; R382-L385 PolarHBondContact O-N 2.92Å; R382-D386 IonicContact CZ-OD1 3.55Å; R382-D386 VanDerWaalsContact CZ-OD1 3.3Å; R382-D386 IonicContact CZ-OD2 3.46Å; R382-D386 VanDerWaalsContact NE-CG 3.26Å; R382-D386 IonicContact NE-OD1 3.46Å; R382-D386 PolarHBondContact NE-OD1 3.36Å; R382-D386 IonicContact NE-OD2 3.6Å; R382-D386 PolarHBondContact NE-OD2 3.01Å; R382-D386 VanDerWaalsContact NH2-CG 3.31Å; R382-D386 IonicContact NH2-OD1 3.56Å; R382-D386 PolarHBondContact NH2-OD1 3.37Å; R382-D386 IonicContact NH2-OD2 3.85Å; R382-D386 WeakPolarHBondContact O-CB 3.42Å; R382-D386 PolarHBondContact O-N 3.18Å; R382-L391 HydrophobicContact CB-CD2 4.14Å; R382-L391 HydrophobicContact CG-CD2 3.99Å
383	G	98.4	Very high	98.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-43.3	176.2	0	0	0	0	0	112.7	L379 E380 H381 D386 G387 N388	L379-G383 PolarHBondContact O-N 2.84Å; E380-G383 PolarHBondContact O-N 3.36Å; H381-G383 PolarHBondContact O-N 2.93Å; G383-D386 PolarHBondContact O-N 2.74Å; G383-G387 CarbonylContact O-C 3.56Å; G383-G387 WeakPolarHBondContact O-CA 3.38Å; G383-G387 PolarHBondContact O-N 3.41Å; G383-N388 PolarHBondContact O-N 2.89Å
384	K	97	Very high	98.2	Very high	96 Å²	96	35.6 Å²	35.6	42%	0.417	18%	0.177	S	C	.	.	H	α-helix	trans	-60.6	-47.1	174.5	-73.5	167.6	-176.1	160.4	0	111.7	E380 H381 D386 G387 I392	E380-K384 WeakPolarHBondContact O-CG 3.21Å; E380-K384 PolarHBondContact O-N 3.45Å; E380-K384 WeakPolarHBondContact OE1-CE 3.31Å; E380-K384 IonicContact OE1-NZ 2.63Å; E380-K384 PolarHBondContact OE1-NZ 2.9Å; E380-K384 IonicContact OE2-NZ 3.79Å; E380-K384 PolarHBondContact OE2-NZ 3.3Å; H381-K384 WeakPolarHBondContact O-CB 3.3Å; H381-K384 PolarHBondContact O-N 3.11Å; K384-D386 VanDerWaalsContact C-N 3.31Å; K384-D386 PolarHBondContact O-N 3.1Å; K384-G387 PolarHBondContact O-N 3.44Å; K384-I392 HydrophobicContact CG-CD1 4.03Å; K384-I392 HydrophobicContact CG-CG1 4.48Å
385	L	97.3	Very high	98.2	Very high	60 Å²	60	35.4 Å²	35.4	31%	0.314	18%	0.176	S	C	.	.	H	α-helix	trans	-66.7	-30.4	179.6	-68.1	-179.3	0	0	0	113.2	V109 K340 H381 R382	V109-L385 HydrophobicContact CG2-CD1 4.07Å; K340-L385 HydrophobicContact CG-CD1 4.22Å; K340-L385 HydrophobicContact CG-CD2 3.92Å; H381-L385 WeakPolarHBondContact O-CG 2.87Å; H381-L385 PolarHBondContact O-N 3.06Å; R382-L385 PolarHBondContact O-N 2.92Å
386	D	98.1	Very high	98.2	Very high	43 Å²	43	39.9 Å²	39.9	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-93.7	-7.1	178.9	-72.6	-17.3	0	0	0	114	K48 R382 G383 K384 N388	K48-D386 WeakPolarHBondContact CD-OD1 3.44Å; R382-D386 IonicContact CZ-OD1 3.55Å; R382-D386 VanDerWaalsContact CZ-OD1 3.3Å; R382-D386 IonicContact CZ-OD2 3.46Å; R382-D386 VanDerWaalsContact NE-CG 3.26Å; R382-D386 IonicContact NE-OD1 3.46Å; R382-D386 PolarHBondContact NE-OD1 3.36Å; R382-D386 IonicContact NE-OD2 3.6Å; R382-D386 PolarHBondContact NE-OD2 3.01Å; R382-D386 VanDerWaalsContact NH2-CG 3.31Å; R382-D386 IonicContact NH2-OD1 3.56Å; R382-D386 PolarHBondContact NH2-OD1 3.37Å; R382-D386 IonicContact NH2-OD2 3.85Å; R382-D386 WeakPolarHBondContact O-CB 3.42Å; R382-D386 PolarHBondContact O-N 3.18Å; G383-D386 PolarHBondContact O-N 2.74Å; K384-D386 VanDerWaalsContact C-N 3.31Å; K384-D386 PolarHBondContact O-N 3.1Å; D386-N388 HydrophobicContact CB-CB 4.22Å; D386-N388 PolarHBondContact O-N 3.1Å
387	G	98.1	Very high	98.2	Very high	51 Å²	51	41 Å²	41	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	21.5	-168.9	0	0	0	0	0	113.8	G383 K384 Q389	G383-G387 CarbonylContact O-C 3.56Å; G383-G387 WeakPolarHBondContact O-CA 3.38Å; G383-G387 PolarHBondContact O-N 3.41Å; K384-G387 PolarHBondContact O-N 3.44Å; G387-Q389 PolarHBondContact O-N 3.38Å
388	N	98.4	Very high	98.2	Very high	29 Å²	29	38.3 Å²	38.3	16%	0.155	19%	0.194	C	C	.	.			trans	-87.9	93.8	-177.1	-173	-22.8	0	0	0	111.2	K45 G383 D386 D390 L391 I392	K45-N388 PolarHBondContact O-ND2 3Å; G383-N388 PolarHBondContact O-N 2.89Å; D386-N388 HydrophobicContact CB-CB 4.22Å; D386-N388 PolarHBondContact O-N 3.1Å; N388-D390 VanDerWaalsContact C-N 3.34Å; N388-D390 PolarHBondContact O-N 3.44Å; N388-D390 PolarHBondContact OD1-N 3.33Å; N388-L391 HydrophobicContact CB-CB 4.19Å; N388-L391 PolarHBondContact O-N 2.67Å; N388-L391 PolarHBondContact OD1-N 3.48Å; N388-I392 WeakPolarHBondContact O-CG1 3.37Å; N388-I392 PolarHBondContact O-N 2.75Å
389	Q	98.4	Very high	98.2	Very high	109 Å²	109	39.6 Å²	39.6	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-68	-29.4	-178.5	-63.6	-58	-45.1	0	0	113.6	G387 I392 R393	G387-Q389 PolarHBondContact O-N 3.38Å; Q389-I392 PolarHBondContact O-N 3.5Å; Q389-R393 WeakPolarHBondContact O-CB 3.48Å; Q389-R393 WeakPolarHBondContact O-CG 3.29Å; Q389-R393 PolarHBondContact O-N 2.92Å
390	D	98.2	Very high	98.2	Very high	85 Å²	85	45.4 Å²	45.4	46%	0.455	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-42.7	176.5	-68.3	-29.9	0	0	0	110.9	I44 N388 R393 F394	I44-D390 HydrophobicContact CD1-CB 4.31Å; I44-D390 HydrophobicContact CG1-CB 4.23Å; I44-D390 HydrophobicContact CG2-CB 3.92Å; N388-D390 VanDerWaalsContact C-N 3.34Å; N388-D390 PolarHBondContact O-N 3.44Å; N388-D390 PolarHBondContact OD1-N 3.33Å; D390-R393 PolarHBondContact O-N 2.77Å; D390-R393 IonicContact OD1-CZ 3.12Å; D390-R393 IonicContact OD1-NE 2.98Å; D390-R393 IonicContact OD1-NH2 3.78Å; D390-R393 PolarHBondContact OD1-NH2 3.11Å; D390-F394 WeakPolarHBondContact O-CB 3.47Å; D390-F394 PolarHBondContact O-N 3.16Å
391	L	98.5	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-41.1	176.5	-173.1	62.3	0	0	0	112.1	I44 V46 V75 L379 R382 N388 F394 A395	I44-L391 HydrophobicContact CG2-CB 4.27Å; V46-L391 HydrophobicContact CG1-CD2 3.94Å; V46-L391 HydrophobicContact CG2-CD1 4.04Å; V46-L391 HydrophobicContact CG2-CD2 3.85Å; V46-L391 HydrophobicContact CG2-CG 4.47Å; V75-L391 HydrophobicContact CG1-CD1 3.77Å; V75-L391 HydrophobicContact CG2-CD1 4.22Å; L379-L391 HydrophobicContact CB-CD1 4.08Å; L379-L391 HydrophobicContact CB-CG 4.29Å; L379-L391 HydrophobicContact CD1-CD1 4.48Å; L379-L391 HydrophobicContact CD2-CD1 4.26Å; L379-L391 HydrophobicContact CG-CD1 4.5Å; L379-L391 VanDerWaalsContact O-CD2 3.28Å; L379-L391 WeakPolarHBondContact O-CD2 3.39Å; L379-L391 WeakPolarHBondContact O-CG 3.37Å; R382-L391 HydrophobicContact CB-CD2 4.14Å; R382-L391 HydrophobicContact CG-CD2 3.99Å; N388-L391 HydrophobicContact CB-CB 4.19Å; N388-L391 PolarHBondContact O-N 2.67Å; N388-L391 PolarHBondContact OD1-N 3.48Å; L391-F394 PolarHBondContact O-N 3.39Å; L391-A395 PolarHBondContact O-N 3.08Å
392	I	98.4	Very high	98.3	Very high	13 Å²	13	42.9 Å²	42.9	7%	0.067	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-48.8	175.1	-66.8	168.6	0	0	0	110.2	E380 K384 N388 Q389 F394 A395 Q396	E380-I392 HydrophobicContact CG-CG1 4.44Å; E380-I392 HydrophobicContact CG-CG2 4.12Å; K384-I392 HydrophobicContact CG-CD1 4.03Å; K384-I392 HydrophobicContact CG-CG1 4.48Å; N388-I392 WeakPolarHBondContact O-CG1 3.37Å; N388-I392 PolarHBondContact O-N 2.75Å; Q389-I392 PolarHBondContact O-N 3.5Å; I392-F394 VanDerWaalsContact C-N 3.34Å; I392-F394 PolarHBondContact O-N 2.81Å; I392-A395 PolarHBondContact O-N 2.96Å; I392-Q396 VanDerWaalsContact O-CG 3.31Å; I392-Q396 WeakPolarHBondContact O-CG 3.33Å; I392-Q396 PolarHBondContact O-N 3.37Å
393	R	98.3	Very high	98.3	Very high	132 Å²	132	43.8 Å²	43.8	50%	0.498	22%	0.22	S	C	.	.	H	α-helix	trans	-63.4	-38.7	178.9	-75.6	-171.4	-69.2	-139.6	4.6	112.4	Q389 D390 T397	Q389-R393 WeakPolarHBondContact O-CB 3.48Å; Q389-R393 WeakPolarHBondContact O-CG 3.29Å; Q389-R393 PolarHBondContact O-N 2.92Å; D390-R393 PolarHBondContact O-N 2.77Å; D390-R393 IonicContact OD1-CZ 3.12Å; D390-R393 IonicContact OD1-NE 2.98Å; D390-R393 IonicContact OD1-NH2 3.78Å; D390-R393 PolarHBondContact OD1-NH2 3.11Å; R393-T397 VanDerWaalsContact O-CB 3.3Å; R393-T397 WeakPolarHBondContact O-CB 3.38Å; R393-T397 PolarHBondContact O-N 2.78Å; R393-T397 PolarHBondContact O-OG1 2.8Å
394	F	98.7	Very high	98.3	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-50	175.2	168.9	-96.2	0	0	0	111.5	I44 L70 I71 H74 V75 L379 D390 L391 I392 Q396 T397 L398 L445 L449	I44-F394 HydrophobicContact CD1-CB 3.5Å; I44-F394 VanDerWaalsContact CD1-CB 3.5Å; I44-F394 HydrophobicContact CD1-CD2 4.33Å; I44-F394 HydrophobicContact CD1-CG 4Å; L70-F394 WeakPolarHBondContact O-CZ 3.37Å; I71-F394 HydrophobicContact CD1-CE1 4.19Å; I71-F394 HydrophobicContact CD1-CZ 4.34Å; H74-F394 HydrophobicContact CB-CD2 4.16Å; H74-F394 HydrophobicContact CB-CE2 3.52Å; H74-F394 HydrophobicContact CB-CZ 4.1Å; V75-F394 HydrophobicContact CG2-CD1 3.58Å; V75-F394 HydrophobicContact CG2-CD2 4.39Å; V75-F394 HydrophobicContact CG2-CE1 3.45Å; V75-F394 VanDerWaalsContact CG2-CE1 3.45Å; V75-F394 HydrophobicContact CG2-CE2 4.29Å; V75-F394 HydrophobicContact CG2-CG 4.07Å; V75-F394 HydrophobicContact CG2-CZ 3.84Å; L379-F394 HydrophobicContact CD1-CD1 4.29Å; L379-F394 HydrophobicContact CD1-CE1 3.92Å; D390-F394 WeakPolarHBondContact O-CB 3.47Å; D390-F394 PolarHBondContact O-N 3.16Å; L391-F394 PolarHBondContact O-N 3.39Å; I392-F394 VanDerWaalsContact C-N 3.34Å; I392-F394 PolarHBondContact O-N 2.81Å; F394-Q396 VanDerWaalsContact C-N 3.34Å; F394-Q396 PolarHBondContact O-N 3.47Å; F394-T397 WeakPolarHBondContact O-CB 3.48Å; F394-T397 PolarHBondContact O-N 2.78Å; F394-T397 VanDerWaalsContact O-N 3.14Å; F394-L398 HydrophobicContact CZ-CD2 4.35Å; F394-L398 PolarHBondContact O-N 3.06Å; F394-L445 HydrophobicContact CE2-CD2 4.49Å; F394-L449 HydrophobicContact CD2-CD1 4.2Å; F394-L449 HydrophobicContact CD2-CD2 4.35Å; F394-L449 HydrophobicContact CE2-CD1 4.03Å
395	A	98.5	Very high	98.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57	-47.7	178	0	0	0	0	0	111.5	T376 L379 E380 L391 I392 T397 L398 E399	T376-A395 HydrophobicContact CG2-CB 4.46Å; T376-A395 WeakPolarHBondContact O-CB 3.4Å; L379-A395 HydrophobicContact CB-CB 4.39Å; E380-A395 HydrophobicContact CB-CB 3.88Å; E380-A395 HydrophobicContact CG-CB 4.49Å; L391-A395 PolarHBondContact O-N 3.08Å; I392-A395 PolarHBondContact O-N 2.96Å; A395-T397 VanDerWaalsContact C-N 3.34Å; A395-T397 PolarHBondContact O-N 3.36Å; A395-L398 PolarHBondContact O-N 3.2Å; A395-E399 PolarHBondContact O-N 3.19Å
396	Q	98.3	Very high	98.4	Very high	94 Å²	94	41 Å²	41	44%	0.439	21%	0.207	S	C	.	.	H	α-helix	trans	-63.5	-36.8	176.9	-69.5	171.5	-6.8	0	0	112.9	I392 F394 K400	I392-Q396 VanDerWaalsContact O-CG 3.31Å; I392-Q396 WeakPolarHBondContact O-CG 3.33Å; I392-Q396 PolarHBondContact O-N 3.37Å; F394-Q396 VanDerWaalsContact C-N 3.34Å; F394-Q396 PolarHBondContact O-N 3.47Å; Q396-K400 VanDerWaalsContact O-CB 3.29Å; Q396-K400 WeakPolarHBondContact O-CB 3.46Å; Q396-K400 PolarHBondContact O-N 3.45Å
397	T	98.5	Very high	98.4	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.135	21%	0.209	C	C	.	.	H	α-helix	trans	-64.9	-44.1	176.5	-60.8	0	0	0	0	110.7	R393 F394 A395 K400 V401 L445 A448 L449 Q452	R393-T397 VanDerWaalsContact O-CB 3.3Å; R393-T397 WeakPolarHBondContact O-CB 3.38Å; R393-T397 PolarHBondContact O-N 2.78Å; R393-T397 PolarHBondContact O-OG1 2.8Å; F394-T397 WeakPolarHBondContact O-CB 3.48Å; F394-T397 PolarHBondContact O-N 2.78Å; F394-T397 VanDerWaalsContact O-N 3.14Å; A395-T397 VanDerWaalsContact C-N 3.34Å; A395-T397 PolarHBondContact O-N 3.36Å; T397-K400 PolarHBondContact O-N 2.66Å; T397-V401 HydrophobicContact CG2-CG2 4.48Å; T397-V401 VanDerWaalsContact O-CG2 3.3Å; T397-V401 WeakPolarHBondContact O-CG2 3.49Å; T397-V401 PolarHBondContact O-N 3.42Å; T397-L445 HydrophobicContact CG2-CD1 4.49Å; T397-A448 HydrophobicContact CG2-CB 4.08Å; T397-L449 HydrophobicContact CG2-CD2 4.26Å; T397-Q452 PolarHBondContact OG1-NE2 3Å
398	L	98.7	Very high	98.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.8	-43	178	179.1	52.4	0	0	0	112	L70 I71 I372 T376 F394 A395 K400 V401 C402 I441 L445	L70-L398 HydrophobicContact CB-CD2 4.47Å; I71-L398 HydrophobicContact CD1-CD2 3.8Å; I372-L398 HydrophobicContact CG2-CD1 4.06Å; I372-L398 HydrophobicContact CG2-CD2 3.84Å; I372-L398 HydrophobicContact CG2-CG 3.7Å; T376-L398 HydrophobicContact CG2-CB 3.79Å; T376-L398 HydrophobicContact CG2-CD2 3.66Å; T376-L398 HydrophobicContact CG2-CG 3.74Å; F394-L398 HydrophobicContact CZ-CD2 4.35Å; F394-L398 PolarHBondContact O-N 3.06Å; A395-L398 PolarHBondContact O-N 3.2Å; L398-K400 VanDerWaalsContact C-N 3.3Å; L398-K400 PolarHBondContact O-N 3.43Å; L398-V401 PolarHBondContact O-N 2.74Å; L398-C402 PolarHBondContact O-N 2.94Å; L398-C402 VanDerWaalsContact O-N 3.07Å; L398-C402 PolarHBondContact O-SG 3.38Å; L398-I441 HydrophobicContact CD1-CG2 4.28Å; L398-L445 HydrophobicContact CB-CD1 4.26Å; L398-L445 HydrophobicContact CD1-CD1 4.15Å; L398-L445 HydrophobicContact CD1-CD2 4.04Å
399	E	98.4	Very high	98.4	Very high	27 Å²	27	44.2 Å²	44.2	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-46.1	172.4	-72.7	-165	-169.2	0	0	111.4	F373 T376 R377 A395 C402 V403	F373-E399 HydrophobicContact CD1-CG 3.9Å; F373-E399 HydrophobicContact CD2-CG 4.24Å; F373-E399 HydrophobicContact CE1-CB 3.89Å; F373-E399 VanDerWaalsContact CE1-CD 3.44Å; F373-E399 HydrophobicContact CE1-CG 3.59Å; F373-E399 VanDerWaalsContact CE1-OE2 3.29Å; F373-E399 WeakPolarHBondContact CE1-OE2 3.33Å; F373-E399 HydrophobicContact CE2-CB 4.02Å; F373-E399 HydrophobicContact CE2-CG 3.95Å; F373-E399 HydrophobicContact CG-CG 4.24Å; F373-E399 HydrophobicContact CZ-CB 3.53Å; F373-E399 HydrophobicContact CZ-CG 3.63Å; T376-E399 HydrophobicContact CG2-CG 4.15Å; T376-E399 VanDerWaalsContact OG1-CG 3.3Å; T376-E399 WeakPolarHBondContact OG1-CG 3.4Å; T376-E399 PolarHBondContact OG1-OE1 3.36Å; R377-E399 IonicContact CZ-OE1 3.47Å; R377-E399 IonicContact CZ-OE2 2.74Å; R377-E399 IonicContact NE-OE1 3.64Å; R377-E399 PolarHBondContact NE-OE1 2.98Å; R377-E399 IonicContact NE-OE2 3.57Å; R377-E399 IonicContact NH2-OE1 3.38Å; R377-E399 PolarHBondContact NH2-OE1 3.36Å; R377-E399 IonicContact NH2-OE2 3.3Å; R377-E399 PolarHBondContact NH2-OE2 2.88Å; A395-E399 PolarHBondContact O-N 3.19Å; E399-C402 WeakPolarHBondContact O-CB 2.98Å; E399-C402 PolarHBondContact O-N 3.14Å; E399-V403 PolarHBondContact O-N 3.05Å
400	K	98.3	Very high	98.4	Very high	121 Å²	121	40 Å²	40	53%	0.526	21%	0.212	S	C	.	.	H	α-helix	trans	-61.4	-44.7	177.3	-178.7	178.6	171.7	-179.3	0	112.1	Q396 T397 L398 C402 V403 E404	Q396-K400 VanDerWaalsContact O-CB 3.29Å; Q396-K400 WeakPolarHBondContact O-CB 3.46Å; Q396-K400 PolarHBondContact O-N 3.45Å; T397-K400 PolarHBondContact O-N 2.66Å; L398-K400 VanDerWaalsContact C-N 3.3Å; L398-K400 PolarHBondContact O-N 3.43Å; K400-C402 VanDerWaalsContact C-N 3.29Å; K400-C402 PolarHBondContact O-N 2.93Å; K400-V403 PolarHBondContact O-N 3.45Å; K400-E404 WeakPolarHBondContact CE-OE1 3.46Å; K400-E404 HydrophobicContact CG-CG 4.16Å; K400-E404 IonicContact NZ-OE1 2.75Å; K400-E404 WeakPolarHBondContact O-CB 3.16Å; K400-E404 WeakPolarHBondContact O-CG 3.5Å; K400-E404 PolarHBondContact O-N 2.84Å
401	V	98.6	Very high	98.4	Very high	6 Å²	6	36.3 Å²	36.3	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-41.4	177.3	164	0	0	0	0	111.1	T397 L398 T405 I441 N444 L445 A448	T397-V401 HydrophobicContact CG2-CG2 4.48Å; T397-V401 VanDerWaalsContact O-CG2 3.3Å; T397-V401 WeakPolarHBondContact O-CG2 3.49Å; T397-V401 PolarHBondContact O-N 3.42Å; L398-V401 PolarHBondContact O-N 2.74Å; V401-T405 VanDerWaalsContact O-CB 3.27Å; V401-T405 WeakPolarHBondContact O-CB 3.43Å; V401-T405 PolarHBondContact O-N 3.22Å; V401-T405 PolarHBondContact O-OG1 3Å; V401-I441 HydrophobicContact CG1-CG2 4.39Å; V401-N444 HydrophobicContact CG1-CB 3.66Å; V401-L445 HydrophobicContact CG1-CB 4.41Å; V401-L445 HydrophobicContact CG2-CD1 4.46Å; V401-A448 HydrophobicContact CG2-CB 3.94Å
402	C	98.6	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-49.9	175.8	-68.5	0	0	0	0	112.3	I369 F373 L398 E399 K400 T405 V406 I441	I369-C402 HydrophobicContact CG1-CB 4.32Å; I369-C402 HydrophobicContact CG2-CB 4.16Å; F373-C402 HydrophobicContact CE2-CB 3.87Å; L398-C402 PolarHBondContact O-N 2.94Å; L398-C402 VanDerWaalsContact O-N 3.07Å; L398-C402 PolarHBondContact O-SG 3.38Å; E399-C402 WeakPolarHBondContact O-CB 2.98Å; E399-C402 PolarHBondContact O-N 3.14Å; K400-C402 VanDerWaalsContact C-N 3.29Å; K400-C402 PolarHBondContact O-N 2.93Å; C402-T405 PolarHBondContact O-N 2.83Å; C402-V406 PolarHBondContact O-N 2.96Å; C402-I441 HydrophobicContact CB-CD1 4.37Å
403	V	98.2	Very high	98.4	Very high	28 Å²	28	40 Å²	40	17%	0.17	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-48.5	179.7	175.9	0	0	0	0	110.8	I152 F373 E399 K400 T405 V406 E407	I152-V403 HydrophobicContact CG2-CG2 4.02Å; F373-V403 HydrophobicContact CZ-CG2 4.43Å; E399-V403 PolarHBondContact O-N 3.05Å; K400-V403 PolarHBondContact O-N 3.45Å; V403-T405 VanDerWaalsContact C-N 3.27Å; V403-T405 PolarHBondContact O-N 2.97Å; V403-V406 PolarHBondContact O-N 3.09Å; V403-E407 HydrophobicContact CG1-CG 4.26Å; V403-E407 WeakPolarHBondContact O-CB 3.26Å; V403-E407 WeakPolarHBondContact O-CG 3.12Å; V403-E407 PolarHBondContact O-N 2.65Å
404	E	98.4	Very high	98.3	Very high	95 Å²	95	35.7 Å²	35.7	44%	0.444	19%	0.194	S	C	.	.	H	α-helix	trans	-64.3	-30.8	180	-72	-175.5	156.7	0	0	112.7	K400 E407 S408	K400-E404 WeakPolarHBondContact CE-OE1 3.46Å; K400-E404 HydrophobicContact CG-CG 4.16Å; K400-E404 IonicContact NZ-OE1 2.75Å; K400-E404 WeakPolarHBondContact O-CB 3.16Å; K400-E404 WeakPolarHBondContact O-CG 3.5Å; K400-E404 PolarHBondContact O-N 2.84Å; E404-E407 PolarHBondContact O-N 3.49Å; E404-S408 WeakPolarHBondContact O-CB 3.21Å; E404-S408 PolarHBondContact O-N 2.8Å
405	T	98.7	Very high	98.3	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-67	-44.1	175.4	-59.1	0	0	0	0	111.3	V401 C402 V403 S408 A410 F437 T440 I441 N444	V401-T405 VanDerWaalsContact O-CB 3.27Å; V401-T405 WeakPolarHBondContact O-CB 3.43Å; V401-T405 PolarHBondContact O-N 3.22Å; V401-T405 PolarHBondContact O-OG1 3Å; C402-T405 PolarHBondContact O-N 2.83Å; V403-T405 VanDerWaalsContact C-N 3.27Å; V403-T405 PolarHBondContact O-N 2.97Å; T405-S408 PolarHBondContact O-N 3.09Å; T405-S408 PolarHBondContact O-OG 2.75Å; T405-A410 CarbonylContact C-O 3.48Å; T405-A410 HydrophobicContact CG2-CB 3.88Å; T405-A410 PolarHBondContact O-N 3.26Å; T405-F437 HydrophobicContact CG2-CE2 3.88Å; T405-F437 HydrophobicContact CG2-CZ 4.46Å; T405-T440 HydrophobicContact CG2-CG2 3.78Å; T405-I441 HydrophobicContact CG2-CD1 3.78Å; T405-I441 HydrophobicContact CG2-CG1 4.49Å; T405-N444 PolarHBondContact OG1-ND2 3.43Å
406	V	98.5	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-64.7	-45.3	174.2	175.7	0	0	0	0	110.4	C154 N156 I157 I369 C402 V403 S408 G409 A410 M411 L415 F437	C154-V406 HydrophobicContact CB-CB 4.45Å; C154-V406 HydrophobicContact CB-CG1 3.9Å; N156-V406 PolarHBondContact ND2-O 2.56Å; I157-V406 HydrophobicContact CD1-CG1 3.86Å; I157-V406 HydrophobicContact CG1-CG1 3.86Å; I369-V406 HydrophobicContact CD1-CG2 3.51Å; C402-V406 PolarHBondContact O-N 2.96Å; V403-V406 PolarHBondContact O-N 3.09Å; V406-S408 PolarHBondContact O-N 2.98Å; V406-G409 PolarHBondContact O-N 2.84Å; V406-A410 WeakPolarHBondContact CA-O 3.39Å; V406-M411 HydrophobicContact CG1-CB 4.43Å; V406-L415 HydrophobicContact CG1-CD1 3.87Å; V406-L415 HydrophobicContact CG2-CD1 3.74Å; V406-F437 HydrophobicContact CG2-CZ 4.22Å
407	E	98.2	Very high	98.1	Very high	58 Å²	58	31.5 Å²	31.5	27%	0.271	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-26.2	178.9	-71.2	-176	171.6	0	0	113	K155 V403 E404 G409	K155-E407 HydrophobicContact CB-CG 4.44Å; K155-E407 VanDerWaalsContact CB-OE1 3.29Å; K155-E407 WeakPolarHBondContact CB-OE1 3.1Å; K155-E407 WeakPolarHBondContact CD-OE1 3.33Å; K155-E407 WeakPolarHBondContact CG-OE1 3.29Å; K155-E407 PolarHBondContact N-OE1 3.42Å; K155-E407 IonicContact NZ-OE2 3.63Å; V403-E407 HydrophobicContact CG1-CG 4.26Å; V403-E407 WeakPolarHBondContact O-CB 3.26Å; V403-E407 WeakPolarHBondContact O-CG 3.12Å; V403-E407 PolarHBondContact O-N 2.65Å; E404-E407 PolarHBondContact O-N 3.49Å; E407-G409 PolarHBondContact O-N 3.47Å
408	S	98.2	Very high	98	Very high	90 Å²	90	32.3 Å²	32.3	63%	0.629	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-0.6	173.4	78.8	0	0	0	0	114.1	E404 T405 V406	E404-S408 WeakPolarHBondContact O-CB 3.21Å; E404-S408 PolarHBondContact O-N 2.8Å; T405-S408 PolarHBondContact O-N 3.09Å; T405-S408 PolarHBondContact O-OG 2.75Å; V406-S408 PolarHBondContact O-N 2.98Å
409	G	98	Very high	97.9	Very high	43 Å²	43	35.2 Å²	35.2	44%	0.443	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.3	-5.8	178.1	0	0	0	0	0	115.4	V406 E407	V406-G409 PolarHBondContact O-N 2.84Å; E407-G409 PolarHBondContact O-N 3.47Å
410	A	98.7	Very high	97.8	Very high	21 Å²	21	37.9 Å²	37.9	17%	0.174	21%	0.211	C	C	.	.			trans	-85.1	115	173.6	0	0	0	0	0	108.7	T405 V406 L432 F437 T440	T405-A410 CarbonylContact C-O 3.48Å; T405-A410 HydrophobicContact CG2-CB 3.88Å; T405-A410 PolarHBondContact O-N 3.26Å; V406-A410 WeakPolarHBondContact CA-O 3.39Å; A410-L432 HydrophobicContact CB-CD1 4.15Å; A410-F437 VanDerWaalsContact O-CE2 3.25Å; A410-F437 WeakPolarHBondContact O-CE2 3.31Å; A410-T440 HydrophobicContact CB-CG2 4.07Å
411	M	98.6	Very high	97.7	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.034	20%	0.2	C	C	.	.			trans	-154.9	166.2	-174.8	67.6	-171.5	76	0	0	112.9	I157 V406 L415 A416 I419 F431 L432	I157-M411 HydrophobicContact CD1-SD 4.16Å; V406-M411 HydrophobicContact CG1-CB 4.43Å; M411-L415 HydrophobicContact CB-CB 3.95Å; M411-L415 HydrophobicContact CB-CD1 4.16Å; M411-L415 HydrophobicContact CG-CB 4.08Å; M411-L415 HydrophobicContact SD-CB 3.8Å; M411-A416 HydrophobicContact CG-CB 4.17Å; M411-A416 HydrophobicContact SD-CB 4.2Å; M411-A416 PolarHBondContact SD-N 2.57Å; M411-I419 HydrophobicContact CE-CD1 3.64Å; M411-I419 HydrophobicContact SD-CD1 3.66Å; M411-F431 CarbonylContact O-C 3.52Å; M411-F431 VanDerWaalsContact O-CA 3.23Å; M411-F431 WeakPolarHBondContact O-CA 3.23Å; M411-F431 WeakPolarHBondContact O-CB 3.28Å; M411-L432 PolarHBondContact O-N 3.39Å
412	T	98.6	Very high	97.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.227	C	C	.	.			trans	-84	167.6	173.8	47.8	0	0	0	0	112.4	S365 N367 D414 L415 A416 F437	S365-T412 WeakPolarHBondContact OG-CA 3.33Å; S365-T412 WeakPolarHBondContact OG-CB 3.35Å; N367-T412 WeakPolarHBondContact CB-OG1 3.44Å; T412-D414 VanDerWaalsContact C-N 3.29Å; T412-D414 VanDerWaalsContact CB-OD1 3.22Å; T412-D414 WeakPolarHBondContact CB-OD1 3.5Å; T412-D414 PolarHBondContact O-N 2.58Å; T412-D414 PolarHBondContact OG1-OD1 3.18Å; T412-L415 PolarHBondContact O-N 3.07Å; T412-L415 VanDerWaalsContact O-N 3.12Å; T412-A416 PolarHBondContact O-N 2.88Å; T412-F437 HydrophobicContact CG2-CB 3.97Å; T412-F437 HydrophobicContact CG2-CD1 3.65Å; T412-F437 HydrophobicContact CG2-CD2 4.44Å; T412-F437 HydrophobicContact CG2-CE1 4.28Å; T412-F437 HydrophobicContact CG2-CG 3.74Å
413	K	98.3	Very high	97.5	Very high	91 Å²	91	44 Å²	44	40%	0.396	26%	0.264	S	S	.	.	H	α-helix	trans	-59.1	-36.4	-170.7	-173.8	176.9	-179.4	177.3	0	113.6	S365 G417 V425 F431	S365-K413 PolarHBondContact OG-N 3.37Å; K413-G417 PolarHBondContact O-N 3.25Å; K413-V425 HydrophobicContact CG-CG2 4.08Å; K413-F431 HydrophobicContact CB-CB 4.47Å; K413-F431 HydrophobicContact CB-CD1 4.22Å; K413-F431 HydrophobicContact CB-CD2 3.63Å; K413-F431 HydrophobicContact CB-CE1 4.34Å; K413-F431 HydrophobicContact CB-CE2 3.8Å; K413-F431 HydrophobicContact CB-CG 3.86Å; K413-F431 HydrophobicContact CB-CZ 4.16Å; K413-F431 HydrophobicContact CD-CE1 4.16Å; K413-F431 HydrophobicContact CD-CE2 4.13Å; K413-F431 HydrophobicContact CD-CZ 3.8Å; K413-F431 HydrophobicContact CG-CD1 4.11Å; K413-F431 HydrophobicContact CG-CD2 4.26Å; K413-F431 HydrophobicContact CG-CE1 3.92Å; K413-F431 HydrophobicContact CG-CE2 4.11Å; K413-F431 HydrophobicContact CG-CG 4.27Å; K413-F431 HydrophobicContact CG-CZ 3.93Å
414	D	95.8	Very high	97.5	Very high	40 Å²	40	47.4 Å²	47.4	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-47.1	176.2	58.8	-48.7	0	0	0	111.3	S326 N367 T412 G417 C418	S326-D414 VanDerWaalsContact CB-OD2 3.22Å; S326-D414 WeakPolarHBondContact CB-OD2 3.44Å; S326-D414 PolarHBondContact OG-OD2 3.07Å; N367-D414 WeakPolarHBondContact CB-OD2 3.2Å; N367-D414 PolarHBondContact ND2-OD2 2.95Å; T412-D414 VanDerWaalsContact C-N 3.29Å; T412-D414 VanDerWaalsContact CB-OD1 3.22Å; T412-D414 WeakPolarHBondContact CB-OD1 3.5Å; T412-D414 PolarHBondContact O-N 2.58Å; T412-D414 PolarHBondContact OG1-OD1 3.18Å; D414-G417 PolarHBondContact O-N 3.39Å; D414-C418 PolarHBondContact O-N 3.08Å; D414-C418 PolarHBondContact O-SG 2.77Å; D414-C418 VanDerWaalsContact O-SG 3.33Å
415	L	97.1	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.4	-42.3	-178.7	-58.4	-169.9	0	0	0	112.2	I157 L329 I369 V406 M411 T412 G417 C418 I419	I157-L415 HydrophobicContact CD1-CB 3.86Å; L329-L415 HydrophobicContact CD1-CD1 4.41Å; L329-L415 HydrophobicContact CD1-CD2 3.47Å; L329-L415 VanDerWaalsContact CD1-CD2 3.47Å; L329-L415 HydrophobicContact CD2-CD1 4.39Å; L329-L415 HydrophobicContact CD2-CD2 4.48Å; L329-L415 HydrophobicContact CG-CD2 3.83Å; I369-L415 HydrophobicContact CD1-CD1 4.34Å; V406-L415 HydrophobicContact CG1-CD1 3.87Å; V406-L415 HydrophobicContact CG2-CD1 3.74Å; M411-L415 HydrophobicContact CB-CB 3.95Å; M411-L415 HydrophobicContact CB-CD1 4.16Å; M411-L415 HydrophobicContact CG-CB 4.08Å; M411-L415 HydrophobicContact SD-CB 3.8Å; T412-L415 PolarHBondContact O-N 3.07Å; T412-L415 VanDerWaalsContact O-N 3.12Å; L415-G417 PolarHBondContact O-N 2.77Å; L415-C418 VanDerWaalsContact O-CB 3.32Å; L415-C418 WeakPolarHBondContact O-CB 3.25Å; L415-C418 PolarHBondContact O-N 2.78Å; L415-I419 PolarHBondContact O-N 3.42Å
416	A	97.9	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-35.5	173.2	0	0	0	0	0	111.4	M411 T412 C418 I419 H420 V425 H430 F431	M411-A416 HydrophobicContact CG-CB 4.17Å; M411-A416 HydrophobicContact SD-CB 4.2Å; M411-A416 PolarHBondContact SD-N 2.57Å; T412-A416 PolarHBondContact O-N 2.88Å; A416-C418 VanDerWaalsContact C-N 3.31Å; A416-C418 PolarHBondContact O-N 3.23Å; A416-I419 PolarHBondContact O-N 3.16Å; A416-I419 VanDerWaalsContact O-N 3.17Å; A416-H420 PolarHBondContact O-CD2 2.94Å; A416-H420 PolarHBondContact O-N 3.38Å; A416-V425 HydrophobicContact CB-CB 4.47Å; A416-V425 HydrophobicContact CB-CG1 3.84Å; A416-H430 HydrophobicContact CB-CB 4.25Å; A416-H430 WeakPolarHBondContact CB-O 3.41Å; A416-F431 HydrophobicContact CB-CB 3.81Å
417	G	96.5	Very high	97.4	Very high	11 Å²	11	52.5 Å²	52.5	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-35.5	174.1	0	0	0	0	0	113.4	K413 D414 L415 I419 G421	K413-G417 PolarHBondContact O-N 3.25Å; D414-G417 PolarHBondContact O-N 3.39Å; L415-G417 PolarHBondContact O-N 2.77Å; G417-I419 VanDerWaalsContact C-N 3.3Å; G417-I419 PolarHBondContact O-N 3.3Å; G417-G421 WeakPolarHBondContact O-CA 3.5Å; G417-G421 PolarHBondContact O-N 3Å
418	C	95.4	Very high	97.4	Very high	39 Å²	39	55.1 Å²	55.1	26%	0.264	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-33.3	174.5	-56.9	0	0	0	0	112.6	I157 G325 D414 L415 A416	I157-C418 HydrophobicContact CG2-CB 3.99Å; G325-C418 PolarHBondContact O-SG 3.44Å; D414-C418 PolarHBondContact O-N 3.08Å; D414-C418 PolarHBondContact O-SG 2.77Å; D414-C418 VanDerWaalsContact O-SG 3.33Å; L415-C418 VanDerWaalsContact O-CB 3.32Å; L415-C418 WeakPolarHBondContact O-CB 3.25Å; L415-C418 PolarHBondContact O-N 2.78Å; A416-C418 VanDerWaalsContact C-N 3.31Å; A416-C418 PolarHBondContact O-N 3.23Å
419	I	96.7	Very high	97.4	Very high	61 Å²	61	56.7 Å²	56.7	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-85.9	-47.6	-177.4	-57.4	176.4	0	0	0	111.3	I157 M411 L415 A416 G417	I157-I419 HydrophobicContact CD1-CD1 3.98Å; I157-I419 HydrophobicContact CD1-CG1 4.18Å; M411-I419 HydrophobicContact CE-CD1 3.64Å; M411-I419 HydrophobicContact SD-CD1 3.66Å; L415-I419 PolarHBondContact O-N 3.42Å; A416-I419 PolarHBondContact O-N 3.16Å; A416-I419 VanDerWaalsContact O-N 3.17Å; G417-I419 VanDerWaalsContact C-N 3.3Å; G417-I419 PolarHBondContact O-N 3.3Å
420	H	97.1	Very high	97.4	Very high	83 Å²	83	56.7 Å²	56.7	38%	0.384	31%	0.307	S	S	.	.	H	α-helix	trans	-108.2	-10	-167.2	-59	-75.9	0	0	0	113.8	A416 N424 V425 H430	A416-H420 PolarHBondContact O-CD2 2.94Å; A416-H420 PolarHBondContact O-N 3.38Å; H420-N424 WeakPolarHBondContact O-CB 3.34Å; H420-N424 PolarHBondContact O-ND2 3.5Å; H420-V425 HydrophobicContact CB-CG1 3.88Å; H420-H430 AromaticContact CD2-CD2 3.73Å; H420-H430 AromaticContact CE1-CD2 3.95Å; H420-H430 AromaticContact CG-CD2 3.84Å; H420-H430 AromaticContact ND1-CD2 3.98Å; H420-H430 AromaticContact NE2-CD2 3.82Å
421	G	96.1	Very high	97.4	Very high	29 Å²	29	56.7 Å²	56.7	30%	0.299	30%	0.303	S	S	.	.			trans	81.2	132.8	-167.5	0	0	0	0	0	111.9	G417 S423 N424	G417-G421 WeakPolarHBondContact O-CA 3.5Å; G417-G421 PolarHBondContact O-N 3Å; G421-S423 PolarHBondContact O-N 3.39Å; G421-N424 PolarHBondContact O-N 3.43Å
422	L	95.5	Very high	97.4	Very high	115 Å²	115	58.1 Å²	58.1	60%	0.602	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.5	-173.5	-77.1	170.1	0	0	0	114.8	N424 V425	L422-N424 VanDerWaalsContact C-N 3.32Å; L422-V425 WeakPolarHBondContact O-CG2 3.44Å
423	S	97.2	Very high	97.4	Very high	111 Å²	111	59.6 Å²	59.6	78%	0.776	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-17.9	176.2	55.9	0	0	0	0	113.8	G421	G421-S423 PolarHBondContact O-N 3.39Å
424	N	98	Very high	97.4	Very high	99 Å²	99	55.4 Å²	55.4	53%	0.529	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-6.2	-170.8	-56.1	-33.6	0	0	0	113.1	H420 G421 L422	H420-N424 WeakPolarHBondContact O-CB 3.34Å; H420-N424 PolarHBondContact O-ND2 3.5Å; G421-N424 PolarHBondContact O-N 3.43Å; L422-N424 VanDerWaalsContact C-N 3.32Å
425	V	98	Very high	97.5	Very high	17 Å²	17	57.3 Å²	57.3	10%	0.103	31%	0.314	C	S	.	.			trans	-86.8	143.1	-175.2	-62.9	0	0	0	0	112.6	K413 A416 H420 L422 H430 F431	K413-V425 HydrophobicContact CG-CG2 4.08Å; A416-V425 HydrophobicContact CB-CB 4.47Å; A416-V425 HydrophobicContact CB-CG1 3.84Å; H420-V425 HydrophobicContact CB-CG1 3.88Å; L422-V425 WeakPolarHBondContact O-CG2 3.44Å; V425-H430 HydrophobicContact CB-CB 4.14Å; V425-H430 HydrophobicContact CG1-CB 4.21Å; V425-F431 HydrophobicContact CB-CD1 3.95Å; V425-F431 HydrophobicContact CB-CE1 4.09Å; V425-F431 HydrophobicContact CG2-CD1 4.17Å; V425-F431 HydrophobicContact CG2-CE1 3.98Å
426	K	98.2	Very high	97.6	Very high	122 Å²	122	60.1 Å²	60.1	53%	0.53	33%	0.329	S	S	.	.			trans	-131.3	142.1	178.5	-69	164.7	179.3	172.7	0	111.1	E429 H430 F431	K426-E429 HydrophobicContact CB-CB 4.04Å; K426-E429 WeakPolarHBondContact CD-OE2 3.44Å; K426-E429 IonicContact NZ-OE2 2.74Å; K426-E429 PolarHBondContact O-N 3.4Å; K426-H430 PolarHBondContact N-ND1 2.67Å; K426-H430 PolarHBondContact O-N 2.9Å; K426-F431 WeakPolarHBondContact O-CD1 3.14Å; K426-F431 WeakPolarHBondContact O-CE1 3.41Å
427	L	98.2	Very high	97.6	Very high	65 Å²	65	60.1 Å²	60.1	34%	0.34	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-63	135.5	178.1	177.6	64.8	0	0	0	109.5	P363 E429 F431 N433	P363-L427 HydrophobicContact CB-CD2 4.27Å; P363-L427 HydrophobicContact CG-CD2 4.49Å; L427-E429 PolarHBondContact O-N 2.95Å; L427-F431 HydrophobicContact CB-CE1 4.35Å; L427-F431 HydrophobicContact CB-CE2 3.88Å; L427-F431 HydrophobicContact CB-CZ 3.69Å; L427-F431 HydrophobicContact CD1-CD2 3.93Å; L427-F431 HydrophobicContact CD1-CE2 3.57Å; L427-F431 HydrophobicContact CD1-CZ 4.29Å; L427-F431 HydrophobicContact CG-CE2 4.32Å; L427-N433 HydrophobicContact CD1-CB 3.99Å
428	N	97.4	Very high	97.7	Very high	114 Å²	114	59.8 Å²	59.8	61%	0.61	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	5	-177.4	-54.2	-24.6	0	0	0	115.8	F431	N428-F431 PolarHBondContact N-O 3.42Å
429	E	98	Very high	97.9	Very high	122 Å²	122	61.1 Å²	61.1	57%	0.57	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	-49.3	170.5	-173.5	179.7	150.6	0	0	110.3	K426 L427	K426-E429 HydrophobicContact CB-CB 4.04Å; K426-E429 WeakPolarHBondContact CD-OE2 3.44Å; K426-E429 IonicContact NZ-OE2 2.74Å; K426-E429 PolarHBondContact O-N 3.4Å; L427-E429 PolarHBondContact O-N 2.95Å
430	H	98.4	Very high	98	Very high	44 Å²	44	60 Å²	60	20%	0.204	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-24	-177	-58.6	93.5	0	0	0	113.3	A416 H420 V425 K426	A416-H430 HydrophobicContact CB-CB 4.25Å; A416-H430 WeakPolarHBondContact CB-O 3.41Å; H420-H430 AromaticContact CD2-CD2 3.73Å; H420-H430 AromaticContact CE1-CD2 3.95Å; H420-H430 AromaticContact CG-CD2 3.84Å; H420-H430 AromaticContact ND1-CD2 3.98Å; H420-H430 AromaticContact NE2-CD2 3.82Å; V425-H430 HydrophobicContact CB-CB 4.14Å; V425-H430 HydrophobicContact CG1-CB 4.21Å; K426-H430 PolarHBondContact N-ND1 2.67Å; K426-H430 PolarHBondContact O-N 2.9Å
431	F	98.7	Very high	98.1	Very high	20 Å²	20	56 Å²	56	9%	0.088	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-148.6	159.8	-177.5	69.5	-89.3	0	0	0	112.2	M411 K413 A416 V425 K426 L427 N428	M411-F431 CarbonylContact O-C 3.52Å; M411-F431 VanDerWaalsContact O-CA 3.23Å; M411-F431 WeakPolarHBondContact O-CA 3.23Å; M411-F431 WeakPolarHBondContact O-CB 3.28Å; K413-F431 HydrophobicContact CB-CB 4.47Å; K413-F431 HydrophobicContact CB-CD1 4.22Å; K413-F431 HydrophobicContact CB-CD2 3.63Å; K413-F431 HydrophobicContact CB-CE1 4.34Å; K413-F431 HydrophobicContact CB-CE2 3.8Å; K413-F431 HydrophobicContact CB-CG 3.86Å; K413-F431 HydrophobicContact CB-CZ 4.16Å; K413-F431 HydrophobicContact CD-CE1 4.16Å; K413-F431 HydrophobicContact CD-CE2 4.13Å; K413-F431 HydrophobicContact CD-CZ 3.8Å; K413-F431 HydrophobicContact CG-CD1 4.11Å; K413-F431 HydrophobicContact CG-CD2 4.26Å; K413-F431 HydrophobicContact CG-CE1 3.92Å; K413-F431 HydrophobicContact CG-CE2 4.11Å; K413-F431 HydrophobicContact CG-CG 4.27Å; K413-F431 HydrophobicContact CG-CZ 3.93Å; A416-F431 HydrophobicContact CB-CB 3.81Å; V425-F431 HydrophobicContact CB-CD1 3.95Å; V425-F431 HydrophobicContact CB-CE1 4.09Å; V425-F431 HydrophobicContact CG2-CD1 4.17Å; V425-F431 HydrophobicContact CG2-CE1 3.98Å; K426-F431 WeakPolarHBondContact O-CD1 3.14Å; K426-F431 WeakPolarHBondContact O-CE1 3.41Å; L427-F431 HydrophobicContact CB-CE1 4.35Å; L427-F431 HydrophobicContact CB-CE2 3.88Å; L427-F431 HydrophobicContact CB-CZ 3.69Å; L427-F431 HydrophobicContact CD1-CD2 3.93Å; L427-F431 HydrophobicContact CD1-CE2 3.57Å; L427-F431 HydrophobicContact CD1-CZ 4.29Å; L427-F431 HydrophobicContact CG-CE2 4.32Å; N428-F431 PolarHBondContact N-O 3.42Å
432	L	98.6	Very high	98.2	Very high	37 Å²	37	57.3 Å²	57.3	19%	0.194	30%	0.304	C	S	.	.			trans	-102.1	153.3	176.1	-61.6	180	0	0	0	111.3	S365 A410 M411 D436 F437	S365-L432 WeakPolarHBondContact CB-O 3.37Å; S365-L432 PolarHBondContact OG-O 3.45Å; A410-L432 HydrophobicContact CB-CD1 4.15Å; M411-L432 PolarHBondContact O-N 3.39Å; L432-D436 HydrophobicContact CB-CB 4.18Å; L432-D436 HydrophobicContact CD2-CB 4.49Å; L432-F437 HydrophobicContact CB-CB 4.01Å; L432-F437 HydrophobicContact CD1-CB 4.49Å; L432-F437 HydrophobicContact CD1-CD2 4.33Å
433	N	98.5	Very high	98.3	Very high	32 Å²	32	54.3 Å²	54.3	17%	0.171	29%	0.293	C	S	.	.			trans	-68.1	169.1	168.3	78.6	51.5	0	0	0	110.5	T364 L427 T435 D436 F437	T364-N433 CarbonylContact O-C 3.6Å; T364-N433 WeakPolarHBondContact O-CA 3.22Å; T364-N433 VanDerWaalsContact O-CB 3.3Å; T364-N433 WeakPolarHBondContact O-CB 3.49Å; L427-N433 HydrophobicContact CD1-CB 3.99Å; N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.78Å; N433-T435 WeakPolarHBondContact OD1-CA 3.41Å; N433-T435 WeakPolarHBondContact OD1-CB 3.44Å; N433-T435 PolarHBondContact OD1-N 2.9Å; N433-D436 PolarHBondContact ND2-OD1 2.75Å; N433-D436 PolarHBondContact ND2-OD2 3.31Å; N433-D436 PolarHBondContact O-N 2.96Å; N433-D436 PolarHBondContact OD1-N 2.82Å; N433-D436 PolarHBondContact OD1-OD1 2.84Å; N433-F437 WeakPolarHBondContact O-CB 3.49Å; N433-F437 PolarHBondContact O-N 2.73Å
434	T	98.6	Very high	98.4	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-56	-45.2	-177	-50.5	0	0	0	0	112.6	M58 I62 T364 S365 T366 L438	M58-T434 HydrophobicContact CE-CG2 4.01Å; I62-T434 HydrophobicContact CD1-CG2 3.99Å; I62-T434 HydrophobicContact CG1-CG2 3.82Å; T364-T434 VanDerWaalsContact C-OG1 3.28Å; T364-T434 PolarHBondContact O-N 3.36Å; T364-T434 PolarHBondContact O-OG1 3.42Å; T364-T434 PolarHBondContact OG1-OG1 3.37Å; S365-T434 PolarHBondContact N-OG1 3.23Å; T366-T434 PolarHBondContact N-OG1 3.25Å; T434-L438 HydrophobicContact CG2-CD1 4.11Å; T434-L438 WeakPolarHBondContact O-CB 3.31Å; T434-L438 WeakPolarHBondContact O-CG 3.46Å; T434-L438 PolarHBondContact O-N 3.45Å; T434-L438 VanDerWaalsContact O-N 3.1Å
435	T	98.1	Very high	98.4	Very high	79 Å²	79	45.7 Å²	45.7	49%	0.485	24%	0.238	S	C	.	.	H	α-helix	trans	-70.2	-50	-177.4	-55.6	0	0	0	0	111.2	N433 F437 L438 D439	N433-T435 VanDerWaalsContact C-N 3.33Å; N433-T435 PolarHBondContact O-N 2.78Å; N433-T435 WeakPolarHBondContact OD1-CA 3.41Å; N433-T435 WeakPolarHBondContact OD1-CB 3.44Å; N433-T435 PolarHBondContact OD1-N 2.9Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 2.69Å; T435-L438 WeakPolarHBondContact O-CB 3.31Å; T435-L438 PolarHBondContact O-N 3.36Å; T435-L438 VanDerWaalsContact O-N 3.11Å; T435-D439 PolarHBondContact O-N 2.81Å
436	D	98.6	Very high	98.4	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-37.3	-179.2	-63.5	4.8	0	0	0	111.3	L432 N433 T440	L432-D436 HydrophobicContact CB-CB 4.18Å; L432-D436 HydrophobicContact CD2-CB 4.49Å; N433-D436 PolarHBondContact ND2-OD1 2.75Å; N433-D436 PolarHBondContact ND2-OD2 3.31Å; N433-D436 PolarHBondContact O-N 2.96Å; N433-D436 PolarHBondContact OD1-N 2.82Å; N433-D436 PolarHBondContact OD1-OD1 2.84Å; D436-T440 WeakPolarHBondContact O-CB 3.22Å; D436-T440 PolarHBondContact O-N 2.99Å; D436-T440 PolarHBondContact O-OG1 2.93Å
437	F	98.8	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-45.2	175	-174.3	-109.9	0	0	0	111.8	P368 I369 T405 V406 A410 T412 L432 N433 T435 D439 T440 I441	P368-F437 VanDerWaalsContact CD-CD1 3.46Å; P368-F437 HydrophobicContact CG-CD1 3.57Å; P368-F437 HydrophobicContact CG-CE1 3.68Å; I369-F437 HydrophobicContact CD1-CE1 4.24Å; I369-F437 HydrophobicContact CD1-CZ 4.05Å; I369-F437 HydrophobicContact CG1-CE1 4.05Å; I369-F437 HydrophobicContact CG1-CZ 4.3Å; T405-F437 HydrophobicContact CG2-CE2 3.88Å; T405-F437 HydrophobicContact CG2-CZ 4.46Å; V406-F437 HydrophobicContact CG2-CZ 4.22Å; A410-F437 VanDerWaalsContact O-CE2 3.25Å; A410-F437 WeakPolarHBondContact O-CE2 3.31Å; T412-F437 HydrophobicContact CG2-CB 3.97Å; T412-F437 HydrophobicContact CG2-CD1 3.65Å; T412-F437 HydrophobicContact CG2-CD2 4.44Å; T412-F437 HydrophobicContact CG2-CE1 4.28Å; T412-F437 HydrophobicContact CG2-CG 3.74Å; L432-F437 HydrophobicContact CB-CB 4.01Å; L432-F437 HydrophobicContact CD1-CB 4.49Å; L432-F437 HydrophobicContact CD1-CD2 4.33Å; N433-F437 WeakPolarHBondContact O-CB 3.49Å; N433-F437 PolarHBondContact O-N 2.73Å; T435-F437 VanDerWaalsContact C-N 3.26Å; T435-F437 PolarHBondContact O-N 2.69Å; F437-D439 PolarHBondContact O-N 3.47Å; F437-T440 WeakPolarHBondContact O-CB 3.3Å; F437-T440 PolarHBondContact O-N 3.03Å; F437-I441 HydrophobicContact CD1-CG1 4.45Å; F437-I441 HydrophobicContact CE1-CD1 4.35Å; F437-I441 HydrophobicContact CE1-CG1 4.08Å; F437-I441 HydrophobicContact CZ-CD1 4.02Å; F437-I441 HydrophobicContact CZ-CG1 4.14Å; F437-I441 WeakPolarHBondContact O-CG1 3.43Å; F437-I441 PolarHBondContact O-N 2.98Å
438	L	98.7	Very high	98.3	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-41	175.3	-81.6	170.3	0	0	0	112.5	I62 F65 I66 P368 I372 T434 T435 T440 I441 K442	I62-L438 HydrophobicContact CG1-CD1 4.45Å; F65-L438 HydrophobicContact CB-CD1 4.03Å; F65-L438 HydrophobicContact CD1-CB 3.84Å; F65-L438 HydrophobicContact CD1-CD1 4.05Å; F65-L438 HydrophobicContact CD1-CD2 3.78Å; F65-L438 HydrophobicContact CD1-CG 4.11Å; F65-L438 HydrophobicContact CD2-CB 4.35Å; F65-L438 HydrophobicContact CD2-CD1 4.35Å; F65-L438 HydrophobicContact CE1-CB 3.61Å; F65-L438 HydrophobicContact CE1-CD2 4.14Å; F65-L438 HydrophobicContact CE1-CG 4.35Å; F65-L438 HydrophobicContact CE2-CB 4.12Å; F65-L438 HydrophobicContact CG-CB 4.22Å; F65-L438 HydrophobicContact CG-CD1 3.89Å; F65-L438 HydrophobicContact CG-CD2 4.45Å; F65-L438 HydrophobicContact CG-CG 4.43Å; F65-L438 HydrophobicContact CZ-CB 3.76Å; I66-L438 HydrophobicContact CG1-CD2 4.49Å; P368-L438 HydrophobicContact CB-CD2 3.6Å; P368-L438 HydrophobicContact CB-CG 4.21Å; P368-L438 HydrophobicContact CG-CD2 3.67Å; P368-L438 HydrophobicContact CG-CG 4.06Å; I372-L438 HydrophobicContact CD1-CD2 4.48Å; T434-L438 HydrophobicContact CG2-CD1 4.11Å; T434-L438 WeakPolarHBondContact O-CB 3.31Å; T434-L438 WeakPolarHBondContact O-CG 3.46Å; T434-L438 PolarHBondContact O-N 3.45Å; T434-L438 VanDerWaalsContact O-N 3.1Å; T435-L438 WeakPolarHBondContact O-CB 3.31Å; T435-L438 PolarHBondContact O-N 3.36Å; T435-L438 VanDerWaalsContact O-N 3.11Å; L438-T440 VanDerWaalsContact C-N 3.32Å; L438-I441 PolarHBondContact O-N 3.43Å; L438-K442 PolarHBondContact O-N 2.92Å
439	D	98.7	Very high	98.2	Very high	67 Å²	67	42.9 Å²	42.9	36%	0.358	22%	0.222	S	C	.	.	H	α-helix	trans	-67.1	-34.1	175.1	-77.9	-31.8	0	0	0	112.3	F65 T435 F437 K442 S443	F65-D439 WeakPolarHBondContact CE2-OD1 3.49Å; F65-D439 WeakPolarHBondContact CZ-OD1 3.38Å; T435-D439 PolarHBondContact O-N 2.81Å; F437-D439 PolarHBondContact O-N 3.47Å; D439-K442 PolarHBondContact O-N 3.03Å; D439-S443 VanDerWaalsContact O-CB 3.32Å; D439-S443 WeakPolarHBondContact O-CB 3.39Å; D439-S443 PolarHBondContact O-N 3.17Å; D439-S443 PolarHBondContact O-OG 3.39Å
440	T	98.7	Very high	97.9	Very high	36 Å²	36	40.1 Å²	40.1	22%	0.221	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-47.3	171.8	-58.8	0	0	0	0	110.5	T405 A410 D436 F437 L438 K442 S443 N444	T405-T440 HydrophobicContact CG2-CG2 3.78Å; A410-T440 HydrophobicContact CB-CG2 4.07Å; D436-T440 WeakPolarHBondContact O-CB 3.22Å; D436-T440 PolarHBondContact O-N 2.99Å; D436-T440 PolarHBondContact O-OG1 2.93Å; F437-T440 WeakPolarHBondContact O-CB 3.3Å; F437-T440 PolarHBondContact O-N 3.03Å; L438-T440 VanDerWaalsContact C-N 3.32Å; T440-K442 PolarHBondContact O-N 3.31Å; T440-S443 PolarHBondContact O-N 2.87Å; T440-N444 WeakPolarHBondContact O-CB 3.44Å; T440-N444 PolarHBondContact O-N 3.44Å; T440-N444 PolarHBondContact O-OD1 3.06Å; T440-N444 VanDerWaalsContact O-OD1 3.13Å
441	I	98.7	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-47.4	175.6	-65.1	-72.4	0	0	0	110.8	L70 I372 L398 V401 C402 T405 F437 L438 S443 N444 L445	L70-I441 HydrophobicContact CD1-CG2 4.03Å; L70-I441 HydrophobicContact CD2-CG2 4.27Å; I372-I441 HydrophobicContact CD1-CG2 4.2Å; L398-I441 HydrophobicContact CD1-CG2 4.28Å; V401-I441 HydrophobicContact CG1-CG2 4.39Å; C402-I441 HydrophobicContact CB-CD1 4.37Å; T405-I441 HydrophobicContact CG2-CD1 3.78Å; T405-I441 HydrophobicContact CG2-CG1 4.49Å; F437-I441 HydrophobicContact CD1-CG1 4.45Å; F437-I441 HydrophobicContact CE1-CD1 4.35Å; F437-I441 HydrophobicContact CE1-CG1 4.08Å; F437-I441 HydrophobicContact CZ-CD1 4.02Å; F437-I441 HydrophobicContact CZ-CG1 4.14Å; F437-I441 WeakPolarHBondContact O-CG1 3.43Å; F437-I441 PolarHBondContact O-N 2.98Å; L438-I441 PolarHBondContact O-N 3.43Å; I441-S443 PolarHBondContact O-N 3.45Å; I441-N444 PolarHBondContact O-N 2.85Å; I441-L445 WeakPolarHBondContact O-CB 3.35Å; I441-L445 PolarHBondContact O-N 3.2Å
442	K	98.6	Very high	96.2	Very high	56 Å²	56	55.5 Å²	55.5	24%	0.243	29%	0.29	C	S	.	.	H	α-helix	trans	-56.4	-50.5	176.8	-174	-166.3	178.4	-64.5	0	111.4	F65 K69 L70 L438 D439 T440 N444 L445 D446	F65-K442 HydrophobicContact CE1-CB 4.4Å; F65-K442 HydrophobicContact CZ-CB 4.3Å; F65-K442 HydrophobicContact CZ-CD 4.46Å; K69-K442 HydrophobicContact CB-CD 4.13Å; L70-K442 HydrophobicContact CD2-CB 3.66Å; L70-K442 HydrophobicContact CD2-CG 4.05Å; L438-K442 PolarHBondContact O-N 2.92Å; D439-K442 PolarHBondContact O-N 3.03Å; T440-K442 PolarHBondContact O-N 3.31Å; K442-N444 VanDerWaalsContact C-N 3.28Å; K442-N444 PolarHBondContact O-N 2.82Å; K442-L445 PolarHBondContact O-N 2.96Å; K442-D446 IonicContact NZ-OD1 2.86Å; K442-D446 IonicContact NZ-OD2 3.68Å; K442-D446 PolarHBondContact NZ-OD2 3.22Å; K442-D446 PolarHBondContact O-N 2.8Å
443	S	98.6	Very high	96.1	Very high	53 Å²	53	56.4 Å²	56.4	37%	0.371	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-37.6	-179.7	-60.8	0	0	0	0	111.8	D439 T440 I441 R447	D439-S443 VanDerWaalsContact O-CB 3.32Å; D439-S443 WeakPolarHBondContact O-CB 3.39Å; D439-S443 PolarHBondContact O-N 3.17Å; D439-S443 PolarHBondContact O-OG 3.39Å; T440-S443 PolarHBondContact O-N 2.87Å; I441-S443 PolarHBondContact O-N 3.45Å; S443-R447 VanDerWaalsContact C-NH1 3.29Å; S443-R447 WeakPolarHBondContact O-CG 3.27Å; S443-R447 PolarHBondContact O-N 2.83Å; S443-R447 PolarHBondContact O-NH1 2.95Å
444	N	98.6	Very high	96	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.15	30%	0.301	C	S	.	.	H	α-helix	trans	-70.5	-39.8	177.9	-65.5	-0.9	0	0	0	111.2	V401 T405 T440 I441 K442 R447 A448	V401-N444 HydrophobicContact CG1-CB 3.66Å; T405-N444 PolarHBondContact OG1-ND2 3.43Å; T440-N444 WeakPolarHBondContact O-CB 3.44Å; T440-N444 PolarHBondContact O-N 3.44Å; T440-N444 PolarHBondContact O-OD1 3.06Å; T440-N444 VanDerWaalsContact O-OD1 3.13Å; I441-N444 PolarHBondContact O-N 2.85Å; K442-N444 VanDerWaalsContact C-N 3.28Å; K442-N444 PolarHBondContact O-N 2.82Å; N444-R447 PolarHBondContact O-N 2.91Å; N444-R447 VanDerWaalsContact OD1-CZ 3.24Å; N444-R447 PolarHBondContact OD1-NH1 2.99Å; N444-R447 PolarHBondContact OD1-NH2 3.39Å; N444-A448 WeakPolarHBondContact O-CB 3.47Å; N444-A448 PolarHBondContact O-N 2.85Å
445	L	98.4	Very high	95.8	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-48.3	174.5	-179.2	65.6	0	0	0	111.6	L70 F394 T397 L398 V401 I441 K442 R447 A448 L449	L70-L445 HydrophobicContact CB-CD2 4.43Å; L70-L445 HydrophobicContact CD2-CD2 4.34Å; F394-L445 HydrophobicContact CE2-CD2 4.49Å; T397-L445 HydrophobicContact CG2-CD1 4.49Å; L398-L445 HydrophobicContact CB-CD1 4.26Å; L398-L445 HydrophobicContact CD1-CD1 4.15Å; L398-L445 HydrophobicContact CD1-CD2 4.04Å; V401-L445 HydrophobicContact CG1-CB 4.41Å; V401-L445 HydrophobicContact CG2-CD1 4.46Å; I441-L445 WeakPolarHBondContact O-CB 3.35Å; I441-L445 PolarHBondContact O-N 3.2Å; K442-L445 PolarHBondContact O-N 2.96Å; L445-R447 PolarHBondContact O-N 3.35Å; L445-A448 PolarHBondContact O-N 2.86Å; L445-L449 HydrophobicContact CD1-CD1 3.89Å; L445-L449 HydrophobicContact CD1-CG 4.03Å; L445-L449 HydrophobicContact CD2-CD1 4.49Å; L445-L449 HydrophobicContact CG-CD1 3.91Å; L445-L449 HydrophobicContact CG-CG 4.36Å; L445-L449 WeakPolarHBondContact O-CG 3.1Å; L445-L449 PolarHBondContact O-N 3.07Å
446	D	97.4	Very high	95.7	Very high	62 Å²	62	59.6 Å²	59.6	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-56.9	-40.5	177.7	-74.2	-30.2	0	0	0	111.2	H74 K442 G450	H74-D446 IonicContact CE1-OD1 2.74Å; H74-D446 PolarHBondContact CE1-OD1 3.4Å; H74-D446 IonicContact NE2-OD1 2.87Å; K442-D446 IonicContact NZ-OD1 2.86Å; K442-D446 IonicContact NZ-OD2 3.68Å; K442-D446 PolarHBondContact NZ-OD2 3.22Å; K442-D446 PolarHBondContact O-N 2.8Å; D446-G450 PolarHBondContact O-N 2.78Å
447	R	97.7	Very high	95.5	Very high	132 Å²	132	59.7 Å²	59.7	50%	0.498	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-38.3	175.2	-70.8	-167.5	-49.5	-88.6	14.7	112.9	S443 N444 L445 R451	S443-R447 VanDerWaalsContact C-NH1 3.29Å; S443-R447 WeakPolarHBondContact O-CG 3.27Å; S443-R447 PolarHBondContact O-N 2.83Å; S443-R447 PolarHBondContact O-NH1 2.95Å; N444-R447 PolarHBondContact O-N 2.91Å; N444-R447 VanDerWaalsContact OD1-CZ 3.24Å; N444-R447 PolarHBondContact OD1-NH1 2.99Å; N444-R447 PolarHBondContact OD1-NH2 3.39Å; L445-R447 PolarHBondContact O-N 3.35Å; R447-R451 VanDerWaalsContact O-CG 3.3Å; R447-R451 WeakPolarHBondContact O-CG 3.15Å; R447-R451 PolarHBondContact O-N 2.83Å
448	A	97.1	Very high	95.3	Very high	28 Å²	28	63.7 Å²	63.7	23%	0.231	33%	0.327	C	S	.	.	H	α-helix	trans	-66.3	-45.2	178.2	0	0	0	0	0	111.3	T397 V401 N444 L445 R451	T397-A448 HydrophobicContact CG2-CB 4.08Å; V401-A448 HydrophobicContact CG2-CB 3.94Å; N444-A448 WeakPolarHBondContact O-CB 3.47Å; N444-A448 PolarHBondContact O-N 2.85Å; L445-A448 PolarHBondContact O-N 2.86Å; A448-R451 PolarHBondContact O-N 2.89Å
449	L	94.9	Very high	95	Very high	37 Å²	37	67.9 Å²	67.9	19%	0.194	35%	0.348	C	S	.	.	H	α-helix	trans	-74.7	-28	179.1	-63.8	177.6	0	0	0	113.1	H74 F394 T397 L445 R451 Q452	H74-L449 HydrophobicContact CB-CD1 4.18Å; H74-L449 WeakPolarHBondContact ND1-CD1 3.27Å; F394-L449 HydrophobicContact CD2-CD1 4.2Å; F394-L449 HydrophobicContact CD2-CD2 4.35Å; F394-L449 HydrophobicContact CE2-CD1 4.03Å; T397-L449 HydrophobicContact CG2-CD2 4.26Å; L445-L449 HydrophobicContact CD1-CD1 3.89Å; L445-L449 HydrophobicContact CD1-CG 4.03Å; L445-L449 HydrophobicContact CD2-CD1 4.49Å; L445-L449 HydrophobicContact CG-CD1 3.91Å; L445-L449 HydrophobicContact CG-CG 4.36Å; L445-L449 WeakPolarHBondContact O-CG 3.1Å; L445-L449 PolarHBondContact O-N 3.07Å; L449-R451 VanDerWaalsContact C-N 3.26Å; L449-R451 PolarHBondContact O-N 3.35Å; L449-Q452 PolarHBondContact O-N 2.83Å
450	G	91.8	Very high	94.8	Very high	65 Å²	65	67.9 Å²	67.9	67%	0.67	35%	0.348	S	S	*	.	H	α-helix	trans	-74.4	-13.3	174.2	0	0	0	0	0	114.5	D446	D446-G450 PolarHBondContact O-N 2.78Å
451	R	87.2	Confident	94.4	Very high	215 Å²	215	70.6 Å²	70.6	81%	0.811	36%	0.358	S	S	*	.			trans	-94.4	-15.5	174.3	-72.3	174	-179.2	-177.3	0.4	113.2	R447 A448 L449	R447-R451 VanDerWaalsContact O-CG 3.3Å; R447-R451 WeakPolarHBondContact O-CG 3.15Å; R447-R451 PolarHBondContact O-N 2.83Å; A448-R451 PolarHBondContact O-N 2.89Å; L449-R451 VanDerWaalsContact C-N 3.26Å; L449-R451 PolarHBondContact O-N 3.35Å
452	Q	74.3	Confident	94.1	Very high	171 Å²	171	77 Å²	77	80%	0.799	39%	0.391	S	S	*	.			trans	-81.8	0	171.5	-69.1	-178.1	7.8	0	0	109.7	T397 L449	T397-Q452 PolarHBondContact OG1-NE2 3Å; L449-Q452 PolarHBondContact O-N 2.83Å

Retrieved 452 of 452 residues in 1643.3 ms (Link to these results)

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