A0A3Q0KJC3_SCHMA Loading...

Pitrilysin

Substrate recognition and binding subunit of the essential mitochondrial processing protease (MPP), which cleaves the mitochondrial sequence off newly imported precursors proteins.

AlphaFold DB (A0A5K4EIB7), UniProt , Accession A0A3Q0KJC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 520 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34.6	Very low	32.7	Very low	248 Å²	248	173.2 Å²	173.2	100%	1.222	89%	0.886	S	S	*	*				0	56.2	0	-77.4	-179.6	159.2	0	0	112.4
2	R	26.2	Very low	32.5	Very low	248 Å²	248	177.3 Å²	177.3	94%	0.936	88%	0.882	S	S	*	*			trans	-156	91.3	171.9	-77.6	-170	176.7	179.1	-1.5	109.5
3	S	29.5	Very low	32.4	Very low	115 Å²	115	180.9 Å²	180.9	80%	0.804	88%	0.882	S	S	*	*			trans	-172.1	26.1	161	60.2	0	0	0	0	114.6
4	A	32	Very low	32.5	Very low	110 Å²	110	182.6 Å²	182.6	91%	0.909	88%	0.883	S	S	*	*			trans	-98.5	24	179.1	0	0	0	0	0	114.2
5	S	34.5	Very low	32.6	Very low	114 Å²	114	175.7 Å²	175.7	80%	0.797	86%	0.861	S	S	*	*	S	Bend	trans	-110.3	-0.5	-177.5	56.2	0	0	0	0	115.5
6	C	32.9	Very low	32.6	Very low	112 Å²	112	172.6 Å²	172.6	76%	0.757	86%	0.862	S	S	*	*	S	Bend	trans	-92.5	-12.2	-176.3	-118.1	0	0	0	0	115.6
7	L	33.9	Very low	32.6	Very low	173 Å²	173	168.9 Å²	168.9	91%	0.906	86%	0.856	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	0.2	-175.2	-80.9	160.2	0	0	0	115.5
8	R	34.6	Very low	33	Very low	232 Å²	232	165 Å²	165	88%	0.875	84%	0.837	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	0.8	-179.2	-83.7	-172.9	-177.8	-174.2	1.6	115.8
9	R	34	Very low	33.2	Very low	231 Å²	231	166.6 Å²	166.6	87%	0.872	84%	0.841	S	S	*	*	S	Bend	trans	-103.7	-8.5	-175.9	-93.5	-176.7	179.2	-177.8	-0.3	116.7
10	Y	33.6	Very low	33.6	Very low	229 Å²	229	170.1 Å²	170.1	90%	0.898	84%	0.843	S	S	*	*	S	Bend	trans	-99.8	6.9	-178.2	-87	-83.9	0	0	0	116
11	A	33.8	Very low	34.4	Very low	93 Å²	93	165.2 Å²	165.2	77%	0.769	83%	0.826	S	S	*	*	S	Bend	trans	-102.8	22.5	-178.8	0	0	0	0	0	115
12	R	29.9	Very low	35.2	Very low	222 Å²	222	163 Å²	163	84%	0.838	81%	0.813	S	S	*	*			trans	-120.6	21.3	-174.4	-77.2	-167.2	-167.5	172	3.4	116.6
13	Y	32.1	Very low	36.7	Very low	225 Å²	225	156.3 Å²	156.3	88%	0.882	80%	0.795	S	S	*	*	S	Bend	trans	-124.7	37	175.2	-85.4	-80.1	0	0	0	114
14	F	33	Very low	38.3	Very low	205 Å²	205	154.7 Å²	154.7	90%	0.899	78%	0.777	S	S	*	*	S	Bend	trans	-132	122.6	163.4	-87.7	-85.7	0	0	0	110.3
15	S	35.1	Very low	40	Very low	79 Å²	79	156.5 Å²	156.5	55%	0.552	77%	0.77	S	S	*	*			trans	65.4	91.9	168.8	-173	0	0	0	0	117
16	S	31.8	Very low	41.8	Very low	126 Å²	126	156.6 Å²	156.6	88%	0.881	77%	0.766	S	S	*	*	S	Bend	trans	-96.5	69.7	158.8	58.9	0	0	0	0	110.1
17	S	32.4	Very low	43.4	Very low	109 Å²	109	159.2 Å²	159.2	76%	0.762	76%	0.764	S	S	*	*			trans	179.5	59.7	156.6	59.8	0	0	0	0	111.3
18	I	39.7	Very low	45	Very low	99 Å²	99	153.5 Å²	153.5	51%	0.508	74%	0.737	S	S	.	*			trans	-135	115.5	162.2	-59.8	177.4	0	0	0	106.6	R20	I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 3.28Å
19	Q	37.4	Very low	46.7	Very low	196 Å²	196	144.9 Å²	144.9	92%	0.916	71%	0.712	S	S	*	*			trans	-57.2	98	161.3	-86.7	179	-33.8	0	0	107	S21	Q19-S21 PolarHBondContact O-N 3.39Å
20	R	41.5	Very low	48.5	Very low	235 Å²	235	142.4 Å²	142.4	89%	0.887	72%	0.715	S	S	*	*			trans	-63.9	100.2	168.5	-83.1	-177.4	174.8	176.4	-1.4	107.4	I18 Q22	I18-R20 VanDerWaalsContact C-N 3.28Å; I18-R20 PolarHBondContact O-N 3.28Å; R20-Q22 PolarHBondContact O-N 3.39Å
21	S	49.4	Very low	50.3	Low	68 Å²	68	140.9 Å²	140.9	48%	0.476	71%	0.713	S	S	.	*			trans	-54.9	131	156.5	50.4	0	0	0	0	107.9	Q19 L23	Q19-S21 PolarHBondContact O-N 3.39Å; S21-L23 PolarHBondContact O-N 2.79Å
22	Q	51.3	Low	51.9	Low	202 Å²	202	141.8 Å²	141.8	94%	0.944	71%	0.705	S	S	*	*			trans	-69.9	66.7	175.9	-73.2	178.6	-31.3	0	0	110.4	R20	R20-Q22 PolarHBondContact O-N 3.39Å
23	L	57.9	Low	53.4	Low	108 Å²	108	137.1 Å²	137.1	57%	0.565	70%	0.701	S	S	*	*			trans	-94.8	111.2	170.5	-86	152.1	0	0	0	108.7	S21 I25 V28	S21-L23 PolarHBondContact O-N 2.79Å; L23-I25 PolarHBondContact O-N 3.16Å; L23-V28 HydrophobicContact CD2-CG2 4.37Å
24	D	64.2	Low	54.9	Low	80 Å²	80	131.4 Å²	131.4	43%	0.428	69%	0.685	S	S	.	*			trans	-62.4	114.2	165.6	-177.8	-10.9	0	0	0	108	T26 K27	D24-T26 PolarHBondContact O-N 3.24Å; D24-T26 PolarHBondContact OD1-N 2.96Å; D24-T26 VanDerWaalsContact OD1-N 3.11Å; D24-T26 PolarHBondContact OD1-OG1 2.92Å; D24-T26 PolarHBondContact OD2-OG1 2.85Å; D24-K27 HydrophobicContact CB-CB 4.39Å; D24-K27 HydrophobicContact CB-CD 4.43Å; D24-K27 HydrophobicContact CB-CG 4.3Å; D24-K27 PolarHBondContact O-N 2.61Å
25	I	66.7	Low	56	Low	148 Å²	148	129 Å²	129	76%	0.759	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-58.9	-21.3	-175.3	-163.8	161.8	0	0	0	112.4	L23 K27	L23-I25 PolarHBondContact O-N 3.16Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.08Å
26	T	71.8	Confident	57	Low	116 Å²	116	130.7 Å²	130.7	71%	0.712	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-79.3	-8.1	176.2	68.3	0	0	0	0	113.7	D24	D24-T26 PolarHBondContact O-N 3.24Å; D24-T26 PolarHBondContact OD1-N 2.96Å; D24-T26 VanDerWaalsContact OD1-N 3.11Å; D24-T26 PolarHBondContact OD1-OG1 2.92Å; D24-T26 PolarHBondContact OD2-OG1 2.85Å
27	K	68	Low	57.9	Low	167 Å²	167	128.1 Å²	128.1	73%	0.726	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-115.5	7.4	-179.1	-63	-170.2	179.6	-178.1	0	113.7	D24 I25 S29	D24-K27 HydrophobicContact CB-CB 4.39Å; D24-K27 HydrophobicContact CB-CD 4.43Å; D24-K27 HydrophobicContact CB-CG 4.3Å; D24-K27 PolarHBondContact O-N 2.61Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.08Å; K27-S29 PolarHBondContact O-N 3.32Å
28	V	66.7	Low	58.6	Low	54 Å²	54	132.2 Å²	132.2	33%	0.327	68%	0.678	S	S	.	*			trans	-78	120.2	175.2	-176.4	0	0	0	0	108.6	L23 L30 I34	L23-V28 HydrophobicContact CD2-CG2 4.37Å; V28-L30 PolarHBondContact O-N 3.02Å; V28-I34 HydrophobicContact CG1-CD1 3.94Å; V28-I34 HydrophobicContact CG1-CG1 4.2Å
29	S	70	Confident	59	Low	51 Å²	51	131 Å²	131	36%	0.357	68%	0.679	S	S	.	*			trans	-59.2	126.2	174.6	174.2	0	0	0	0	110.3	K27 K31 D32	K27-S29 PolarHBondContact O-N 3.32Å; S29-K31 PolarHBondContact O-N 3.15Å; S29-K31 PolarHBondContact OG-N 3.4Å; S29-D32 WeakPolarHBondContact CB-OD2 3.41Å; S29-D32 VanDerWaalsContact OG-CG 3.32Å; S29-D32 PolarHBondContact OG-N 3.14Å; S29-D32 PolarHBondContact OG-OD2 3.43Å
30	L	71.6	Confident	59.4	Low	179 Å²	179	129 Å²	129	94%	0.937	67%	0.674	S	S	*	*	S	Bend	trans	-74.8	-6.9	175.5	-66.4	174.5	0	0	0	113	V28	V28-L30 PolarHBondContact O-N 3.02Å
31	K	72.2	Confident	59.9	Low	196 Å²	196	124.2 Å²	124.2	85%	0.852	66%	0.662	S	S	*	*	S	Bend	trans	-100.8	-25	-179.3	-68.8	-174	177.2	-177.8	0	113	S29	S29-K31 PolarHBondContact O-N 3.15Å; S29-K31 PolarHBondContact OG-N 3.4Å
32	D	67.9	Low	60	Low	113 Å²	113	125.6 Å²	125.6	60%	0.604	67%	0.671	S	S	*	*	S	Bend	trans	-88	130.1	-176.5	-59.7	-46.1	0	0	0	110.1	S29 I34	S29-D32 WeakPolarHBondContact CB-OD2 3.41Å; S29-D32 VanDerWaalsContact OG-CG 3.32Å; S29-D32 PolarHBondContact OG-N 3.14Å; S29-D32 PolarHBondContact OG-OD2 3.43Å; D32-I34 PolarHBondContact O-N 2.69Å; D32-I34 VanDerWaalsContact O-N 3.11Å
33	V	61.7	Low	60.4	Low	123 Å²	123	125.4 Å²	125.4	75%	0.745	67%	0.667	S	S	*	*			trans	-60.8	117.2	177.2	-179.9	0	0	0	0	108.3	N35	V33-N35 PolarHBondContact O-N 3.48Å
34	I	62.5	Low	60.7	Low	105 Å²	105	126.4 Å²	126.4	54%	0.538	68%	0.678	S	S	.	*			trans	-66.7	97.3	174.3	-59	176	0	0	0	107.4	V28 D32 Q36	V28-I34 HydrophobicContact CG1-CD1 3.94Å; V28-I34 HydrophobicContact CG1-CG1 4.2Å; D32-I34 PolarHBondContact O-N 2.69Å; D32-I34 VanDerWaalsContact O-N 3.11Å; I34-Q36 HydrophobicContact CG2-CB 3.87Å; I34-Q36 HydrophobicContact CG2-CG 3.89Å; I34-Q36 PolarHBondContact O-N 3.13Å
35	N	57	Low	61.2	Low	155 Å²	155	126.6 Å²	126.6	83%	0.829	68%	0.675	S	S	*	*			trans	-73.2	29.7	173.6	-85.9	-20.7	0	0	0	112.9	V33 G37	V33-N35 PolarHBondContact O-N 3.48Å; N35-G37 PolarHBondContact O-N 2.76Å
36	Q	56.2	Low	61.6	Low	115 Å²	115	124.8 Å²	124.8	54%	0.537	67%	0.671	S	S	.	*	S	Bend	trans	-81.5	101.6	160.3	-66.1	-171.9	7.8	0	0	104.9	I34 F38	I34-Q36 HydrophobicContact CG2-CB 3.87Å; I34-Q36 HydrophobicContact CG2-CG 3.89Å; I34-Q36 PolarHBondContact O-N 3.13Å; Q36-F38 PolarHBondContact O-N 3.05Å
37	G	49.6	Very low	62.1	Low	72 Å²	72	123.9 Å²	123.9	74%	0.742	66%	0.659	S	S	*	*			trans	-42.7	119.2	175.2	0	0	0	0	0	107.9	N35 S39	N35-G37 PolarHBondContact O-N 2.76Å; G37-S39 VanDerWaalsContact C-N 3.29Å; G37-S39 PolarHBondContact O-N 2.65Å
38	F	47.4	Very low	62.8	Low	195 Å²	195	117.6 Å²	117.6	86%	0.855	63%	0.633	S	S	*	*			trans	-48.5	103.2	-179.8	-81.5	-90.8	0	0	0	106.3	Q36 N40	Q36-F38 PolarHBondContact O-N 3.05Å; F38-N40 PolarHBondContact O-N 3.47Å
39	S	49.1	Very low	63.5	Low	74 Å²	74	123.9 Å²	123.9	52%	0.517	66%	0.656	S	S	.	*			trans	-60.1	110.4	175.1	53.1	0	0	0	0	104.5	G37 H41	G37-S39 VanDerWaalsContact C-N 3.29Å; G37-S39 PolarHBondContact O-N 2.65Å; S39-H41 WeakPolarHBondContact CB-CD2 3.25Å; S39-H41 PolarHBondContact O-N 3.25Å; S39-H41 PolarHBondContact OG-CD2 2.97Å; S39-H41 VanDerWaalsContact OG-CD2 3.25Å
40	N	45.7	Very low	64.5	Low	154 Å²	154	128.4 Å²	128.4	82%	0.824	67%	0.672	S	S	*	*			trans	-67.3	62.2	174.8	-83.4	-19.5	0	0	0	108.5	F38 S42	F38-N40 PolarHBondContact O-N 3.47Å; N40-S42 VanDerWaalsContact C-N 3.29Å
41	H	51.4	Low	65.6	Low	134 Å²	134	120.8 Å²	120.8	62%	0.62	63%	0.633	S	S	*	*			trans	-88.6	-1.7	174.7	-72.9	-39.4	0	0	0	111.8	S39 K43	S39-H41 WeakPolarHBondContact CB-CD2 3.25Å; S39-H41 PolarHBondContact O-N 3.25Å; S39-H41 PolarHBondContact OG-CD2 2.97Å; S39-H41 VanDerWaalsContact OG-CD2 3.25Å; H41-K43 PolarHBondContact O-N 3.17Å; H41-K43 VanDerWaalsContact O-N 3.11Å
42	S	51.9	Low	66.8	Low	97 Å²	97	115.6 Å²	115.6	68%	0.678	61%	0.61	S	S	*	*	S	Bend	trans	-69.9	102.2	158.7	-179.5	0	0	0	0	107.2	N40 T44	N40-S42 VanDerWaalsContact C-N 3.29Å; S42-T44 PolarHBondContact O-N 3.5Å; S42-T44 VanDerWaalsContact O-N 3.1Å
43	K	58.5	Low	68.3	Low	198 Å²	198	113.1 Å²	113.1	86%	0.861	60%	0.596	S	S	*	*			trans	-55.6	118.2	156.1	-79.6	-176.2	176.3	-178	0	105.3	H41 F45	H41-K43 PolarHBondContact O-N 3.17Å; H41-K43 VanDerWaalsContact O-N 3.11Å; K43-F45 PolarHBondContact O-N 3.42Å
44	T	65	Low	70	Confident	128 Å²	128	109.5 Å²	109.5	79%	0.785	57%	0.574	S	S	*	*			trans	-53.2	105.1	174	-45.1	0	0	0	0	107.5	S42 T46	S42-T44 PolarHBondContact O-N 3.5Å; S42-T44 VanDerWaalsContact O-N 3.1Å; T44-T46 PolarHBondContact O-N 3.03Å
45	F	73.5	Confident	71.6	Confident	85 Å²	85	110.5 Å²	110.5	37%	0.373	57%	0.571	S	S	.	*			trans	-77.3	116.1	174.8	176.8	-96.3	0	0	0	106.8	K43 E47 K67 L68	K43-F45 PolarHBondContact O-N 3.42Å; F45-E47 HydrophobicContact CD1-CG 4.01Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.4Å; F45-E47 HydrophobicContact CZ-CG 4.37Å; F45-K67 VanDerWaalsContact CZ-C 3.44Å; F45-K67 WeakPolarHBondContact CZ-O 3.4Å; F45-L68 HydrophobicContact CB-CD1 4Å; F45-L68 HydrophobicContact CD1-CB 3.83Å; F45-L68 HydrophobicContact CD1-CD1 3.4Å; F45-L68 VanDerWaalsContact CD1-CD1 3.4Å; F45-L68 HydrophobicContact CD1-CG 4.2Å; F45-L68 HydrophobicContact CE1-CB 3.63Å; F45-L68 HydrophobicContact CE1-CD1 3.99Å; F45-L68 HydrophobicContact CE1-CG 4.43Å; F45-L68 HydrophobicContact CG-CD1 3.77Å
46	T	76.2	Confident	73.4	Confident	109 Å²	109	103.5 Å²	103.5	67%	0.669	53%	0.534	S	S	*	.			trans	-95.7	115.1	173.5	-51.9	0	0	0	0	107.1	T44	T44-T46 PolarHBondContact O-N 3.03Å
47	E	81.4	Confident	75	Confident	98 Å²	98	104.1 Å²	104.1	46%	0.458	55%	0.551	S	S	.	*			trans	-61.5	138.8	169.7	-80.6	-173.7	162.1	0	0	110.2	F45 K49 L68	F45-E47 HydrophobicContact CD1-CG 4.01Å; F45-E47 HydrophobicContact CE1-CB 4.34Å; F45-E47 HydrophobicContact CE1-CG 3.4Å; F45-E47 HydrophobicContact CZ-CG 4.37Å; E47-K49 PolarHBondContact O-N 2.91Å; E47-K49 VanDerWaalsContact O-N 3.14Å; E47-L68 HydrophobicContact CG-CB 4.4Å; E47-L68 WeakPolarHBondContact OE1-CB 3.39Å; E47-L68 PolarHBondContact OE1-N 2.88Å
48	D	82.9	Confident	76.7	Confident	34 Å²	34	102.5 Å²	102.5	18%	0.182	53%	0.525	C	S	.	.			trans	-67.5	113.9	172	-80.8	-21.8	0	0	0	107.7	E50 K52 Q65 N66	D48-E50 VanDerWaalsContact C-N 3.31Å; D48-K52 IonicContact OD1-NZ 3.09Å; D48-K52 PolarHBondContact OD1-NZ 3.49Å; D48-K52 IonicContact OD2-NZ 3.39Å; D48-K52 PolarHBondContact OD2-NZ 3.23Å; D48-Q65 HydrophobicContact CB-CG 4.29Å; D48-N66 HydrophobicContact CB-CB 4.26Å; D48-N66 PolarHBondContact N-O 2.83Å; D48-N66 VanDerWaalsContact OD2-CB 3.26Å; D48-N66 WeakPolarHBondContact OD2-CB 3.33Å; D48-N66 PolarHBondContact OD2-N 3.37Å
49	K	82.2	Confident	78.9	Confident	186 Å²	186	94 Å²	94	81%	0.809	49%	0.492	S	S	*	.	S	Bend	trans	-70.2	-32.1	174.6	-68.5	-171.4	176.3	-173.3	0	112.3	E47	E47-K49 PolarHBondContact O-N 2.91Å; E47-K49 VanDerWaalsContact O-N 3.14Å
50	E	90.5	Very high	81.1	Confident	147 Å²	147	90.5 Å²	90.5	69%	0.687	47%	0.468	S	S	*	.	S	Bend	trans	-115.1	142.6	-176.5	-66.8	179.8	178.7	0	0	110.4	D48 K52	D48-E50 VanDerWaalsContact C-N 3.31Å; E50-K52 PolarHBondContact O-N 3.3Å
51	T	95.9	Very high	83.5	Confident	19 Å²	19	83.9 Å²	83.9	12%	0.117	43%	0.431	C	S	.	.			trans	-72.1	124.8	173	-53.3	0	0	0	0	110.2	I53 A63 I435 K445 E447	T51-I53 HydrophobicContact CG2-CG1 4.34Å; T51-A63 HydrophobicContact CG2-CB 4.43Å; T51-I435 HydrophobicContact CG2-CD1 4.47Å; T51-I435 HydrophobicContact CG2-CG1 4.17Å; T51-I435 HydrophobicContact CG2-CG2 3.85Å; T51-K445 HydrophobicContact CG2-CB 4.28Å; T51-K445 HydrophobicContact CG2-CD 4.21Å; T51-K445 VanDerWaalsContact OG1-CD 3.27Å; T51-K445 WeakPolarHBondContact OG1-CD 3.43Å; T51-K445 VanDerWaalsContact OG1-CE 3.29Å; T51-K445 WeakPolarHBondContact OG1-CE 3.47Å; T51-E447 WeakPolarHBondContact CB-OE1 3.41Å; T51-E447 PolarHBondContact N-OE1 3.38Å; T51-E447 PolarHBondContact OG1-OE1 3.33Å
52	K	97.3	Very high	85.8	Confident	86 Å²	86	77.5 Å²	77.5	37%	0.374	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.3	174.8	-67.8	169.1	-175.1	149.1	0	109.9	D48 E50 A63 S64 H244	D48-K52 IonicContact OD1-NZ 3.09Å; D48-K52 PolarHBondContact OD1-NZ 3.49Å; D48-K52 IonicContact OD2-NZ 3.39Å; D48-K52 PolarHBondContact OD2-NZ 3.23Å; E50-K52 PolarHBondContact O-N 3.3Å; K52-A63 CarbonylContact O-C 3.54Å; K52-A63 VanDerWaalsContact O-CA 3.27Å; K52-A63 WeakPolarHBondContact O-CA 3.32Å; K52-S64 PolarHBondContact N-O 3.06Å; K52-S64 PolarHBondContact O-N 2.83Å; K52-H244 HydrophobicContact CB-CB 4.07Å; K52-H244 HydrophobicContact CD-CB 3.69Å; K52-H244 PolarHBondContact O-CE1 3.2Å; K52-H244 VanDerWaalsContact O-CE1 3.31Å
53	I	97.9	Very high	88	Confident	61 Å²	61	72.9 Å²	72.9	31%	0.313	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.1	-178.3	-54.4	169.5	0	0	0	109	T51 V62 A63 V439	T51-I53 HydrophobicContact CG2-CG1 4.34Å; I53-V62 CarbonylContact C-O 3.53Å; I53-V62 WeakPolarHBondContact CA-O 3.37Å; I53-A63 HydrophobicContact CG1-CB 4.14Å; I53-V439 HydrophobicContact CD1-CG2 3.65Å; I53-V439 HydrophobicContact CG1-CG2 4.18Å; I53-V439 HydrophobicContact CG2-CG1 4.26Å
54	T	97.7	Very high	89.8	Confident	48 Å²	48	63.4 Å²	63.4	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.5	173.3	-68.8	0	0	0	0	109.2	L56 V62 H244 V248	T54-L56 HydrophobicContact CG2-CD2 4.16Å; T54-V62 PolarHBondContact N-O 3.22Å; T54-V62 PolarHBondContact O-N 2.72Å; T54-H244 PolarHBondContact OG1-NE2 3.48Å; T54-V248 HydrophobicContact CG2-CG1 4.4Å; T54-V248 HydrophobicContact CG2-CG2 4.36Å
55	R	96.4	Very high	91.3	Very high	125 Å²	125	58.1 Å²	58.1	47%	0.472	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.1	169.4	-173.8	-178.8	-69.2	-88.5	11.8	108.9	G59 R61 D443	R55-G59 PolarHBondContact NH1-O 2.69Å; R55-R61 HydrophobicContact CG-CG 4.33Å; R55-D443 IonicContact CZ-OD1 2.64Å; R55-D443 IonicContact NH2-OD1 3.77Å; R55-D443 PolarHBondContact NH2-OD1 2.91Å; R55-D443 IonicContact NH2-OD2 3.6Å; R55-D443 PolarHBondContact NH2-OD2 2.94Å
56	L	94.7	Very high	92.3	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	28%	0.284	C	S	.	.			trans	-72.5	161.7	176.3	-56.7	-175.7	0	0	0	110.8	T54 N58 G59 L60 V62 V248 V251 E252	T54-L56 HydrophobicContact CG2-CD2 4.16Å; L56-N58 WeakPolarHBondContact CB-OD1 3.27Å; L56-N58 PolarHBondContact O-N 3.02Å; L56-N58 VanDerWaalsContact O-N 3.07Å; L56-G59 PolarHBondContact O-N 3.47Å; L56-L60 HydrophobicContact CD1-CB 4.32Å; L56-L60 HydrophobicContact CD1-CD2 4.16Å; L56-L60 HydrophobicContact CD1-CG 4.48Å; L56-L60 PolarHBondContact N-O 2.95Å; L56-V62 HydrophobicContact CD1-CG2 4.14Å; L56-V62 HydrophobicContact CG-CG2 4.21Å; L56-V248 HydrophobicContact CD2-CG1 4.22Å; L56-V251 HydrophobicContact CD1-CG1 3.96Å; L56-E252 HydrophobicContact CD1-CG 4.14Å; L56-E252 HydrophobicContact CD2-CG 3.79Å
57	S	89.4	Confident	93	Very high	127 Å²	127	52.3 Å²	52.3	89%	0.888	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.5	-177.1	56	0	0	0	0	114.3
58	N	86.8	Confident	93.4	Very high	39 Å²	39	52.6 Å²	52.6	21%	0.209	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	4.7	177.7	59.4	17.3	0	0	0	113.9	L56 L60 P232 T258	L56-N58 WeakPolarHBondContact CB-OD1 3.27Å; L56-N58 PolarHBondContact O-N 3.02Å; L56-N58 VanDerWaalsContact O-N 3.07Å; N58-L60 VanDerWaalsContact OD1-CB 3.28Å; N58-L60 WeakPolarHBondContact OD1-CB 3.39Å; N58-L60 PolarHBondContact OD1-N 3.36Å; N58-P232 WeakPolarHBondContact O-CB 3.17Å; N58-P232 VanDerWaalsContact O-CG 3.24Å; N58-P232 WeakPolarHBondContact O-CG 3.39Å; N58-T258 WeakPolarHBondContact ND2-CG2 3.22Å; N58-T258 PolarHBondContact ND2-OG1 2.9Å
59	G	91.7	Very high	93.7	Very high	16 Å²	16	53 Å²	53	17%	0.165	28%	0.278	C	S	.	.	S	Bend	trans	92.1	-14.3	179.4	0	0	0	0	0	115.3	R55 L56 R61	R55-G59 PolarHBondContact NH1-O 2.69Å; L56-G59 PolarHBondContact O-N 3.47Å; G59-R61 PolarHBondContact O-N 3.1Å
60	L	95.8	Very high	94.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.			trans	-62.3	133.8	176.3	-177.3	64.9	0	0	0	110.2	L56 N58 P232 M235 V237 V251 F255 T258	L56-L60 HydrophobicContact CD1-CB 4.32Å; L56-L60 HydrophobicContact CD1-CD2 4.16Å; L56-L60 HydrophobicContact CD1-CG 4.48Å; L56-L60 PolarHBondContact N-O 2.95Å; N58-L60 VanDerWaalsContact OD1-CB 3.28Å; N58-L60 WeakPolarHBondContact OD1-CB 3.39Å; N58-L60 PolarHBondContact OD1-N 3.36Å; L60-P232 WeakPolarHBondContact CA-O 3.44Å; L60-P232 HydrophobicContact CB-CB 4.1Å; L60-M235 HydrophobicContact CD1-CB 3.44Å; L60-M235 VanDerWaalsContact CD1-CB 3.44Å; L60-V237 HydrophobicContact CD1-CG2 4.28Å; L60-V237 HydrophobicContact CD2-CG2 4.16Å; L60-V237 HydrophobicContact CG-CG2 4.48Å; L60-V251 HydrophobicContact CD2-CG1 3.72Å; L60-F255 HydrophobicContact CD2-CB 3.79Å; L60-F255 HydrophobicContact CD2-CD1 4.01Å; L60-F255 HydrophobicContact CD2-CG 4.03Å; L60-T258 HydrophobicContact CD2-CG2 4.31Å
61	R	97.5	Very high	94.4	Very high	15 Å²	15	43.3 Å²	43.3	6%	0.057	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.6	179.2	-70.1	162.6	-77.2	172.4	2.8	109.9	R55 G59 E233 V236 V237 V439 L440 D443	R55-R61 HydrophobicContact CG-CG 4.33Å; G59-R61 PolarHBondContact O-N 3.1Å; R61-E233 PolarHBondContact NH2-O 3.41Å; R61-V236 HydrophobicContact CB-CG1 4.33Å; R61-V236 HydrophobicContact CB-CG2 4.06Å; R61-V236 CarbonylContact O-C 3.57Å; R61-V236 WeakPolarHBondContact O-CA 3.34Å; R61-V237 PolarHBondContact O-N 3.05Å; R61-V439 HydrophobicContact CB-CG1 4.31Å; R61-V439 PolarHBondContact NH1-O 2.85Å; R61-L440 PolarHBondContact NH1-O 3.27Å; R61-D443 WeakPolarHBondContact CD-OD1 3.36Å; R61-D443 IonicContact CZ-OD1 3.69Å; R61-D443 IonicContact NE-OD1 3.84Å; R61-D443 IonicContact NH1-OD1 2.69Å; R61-D443 PolarHBondContact NH1-OD1 3.45Å
62	V	98.1	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.8	174.5	-174.1	0	0	0	0	107.9	I53 T54 L56 V237 L247 V248 V251	I53-V62 CarbonylContact C-O 3.53Å; I53-V62 WeakPolarHBondContact CA-O 3.37Å; T54-V62 PolarHBondContact N-O 3.22Å; T54-V62 PolarHBondContact O-N 2.72Å; L56-V62 HydrophobicContact CD1-CG2 4.14Å; L56-V62 HydrophobicContact CG-CG2 4.21Å; V62-V237 CarbonylContact C-O 3.47Å; V62-V237 VanDerWaalsContact CA-O 3.29Å; V62-V237 WeakPolarHBondContact CA-O 3.16Å; V62-L247 HydrophobicContact CG1-CD2 3.81Å; V62-L247 HydrophobicContact CG1-CG 3.89Å; V62-V248 HydrophobicContact CB-CG2 4.16Å; V62-V248 HydrophobicContact CG1-CG2 3.92Å; V62-V251 HydrophobicContact CG1-CG2 4.25Å; V62-V251 HydrophobicContact CG2-CB 3.99Å; V62-V251 HydrophobicContact CG2-CG1 3.69Å; V62-V251 HydrophobicContact CG2-CG2 4.17Å
63	A	98.2	Very high	94.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.6	178.7	0	0	0	0	0	110.3	T51 K52 I53 V236 V237 A238 G239 I435 V439	T51-A63 HydrophobicContact CG2-CB 4.43Å; K52-A63 CarbonylContact O-C 3.54Å; K52-A63 VanDerWaalsContact O-CA 3.27Å; K52-A63 WeakPolarHBondContact O-CA 3.32Å; I53-A63 HydrophobicContact CG1-CB 4.14Å; A63-V236 HydrophobicContact CB-CG1 4.41Å; A63-V237 PolarHBondContact N-O 3.33Å; A63-A238 CarbonylContact O-C 3.56Å; A63-A238 WeakPolarHBondContact O-CA 3.32Å; A63-G239 PolarHBondContact O-N 3.5Å; A63-I435 HydrophobicContact CB-CG2 3.49Å; A63-I435 VanDerWaalsContact CB-CG2 3.49Å; A63-V439 HydrophobicContact CB-CG1 4.45Å; A63-V439 HydrophobicContact CB-CG2 3.98Å
64	S	97.7	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.3	173.1	71	0	0	0	0	114.6	K52 G239 H244	K52-S64 PolarHBondContact N-O 3.06Å; K52-S64 PolarHBondContact O-N 2.83Å; S64-G239 CarbonylContact C-O 3.05Å; S64-G239 WeakPolarHBondContact CA-O 3.38Å; S64-G239 VanDerWaalsContact CB-O 3.25Å; S64-G239 WeakPolarHBondContact CB-O 3.46Å; S64-H244 VanDerWaalsContact OG-CA 3.25Å; S64-H244 WeakPolarHBondContact OG-CA 3.38Å; S64-H244 WeakPolarHBondContact OG-CB 3.4Å; S64-H244 PolarHBondContact OG-ND1 3.08Å
65	Q	95.3	Very high	94.4	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.5	170.2	-170.5	176.4	57.9	0	0	109.7	D48 K67 G239 V240 G241 I435	D48-Q65 HydrophobicContact CB-CG 4.29Å; Q65-K67 PolarHBondContact O-N 3.29Å; Q65-G239 PolarHBondContact N-O 2.8Å; Q65-V240 WeakPolarHBondContact O-CA 3.03Å; Q65-G241 PolarHBondContact O-N 3.14Å; Q65-I435 HydrophobicContact CB-CD1 3.86Å
66	N	94.5	Very high	94.5	Very high	29 Å²	29	27.4 Å²	27.4	16%	0.155	17%	0.169	C	C	.	.			trans	-78.2	121.5	178.6	-160.1	8.3	0	0	0	110.7	D48 I242	D48-N66 HydrophobicContact CB-CB 4.26Å; D48-N66 PolarHBondContact N-O 2.83Å; D48-N66 VanDerWaalsContact OD2-CB 3.26Å; D48-N66 WeakPolarHBondContact OD2-CB 3.33Å; D48-N66 PolarHBondContact OD2-N 3.37Å; N66-I242 WeakPolarHBondContact CA-O 3.47Å; N66-I242 VanDerWaalsContact CB-O 3.29Å; N66-I242 WeakPolarHBondContact CB-O 3.23Å; N66-I242 PolarHBondContact OD1-N 2.97Å
67	K	91.5	Very high	94.7	Very high	43 Å²	43	27 Å²	27	19%	0.187	17%	0.167	C	C	.	.			trans	-123.3	156.1	-178.3	-71.3	-160	175.2	-166	0	111.1	F45 Q65 V240 L425 C431	F45-K67 VanDerWaalsContact CZ-C 3.44Å; F45-K67 WeakPolarHBondContact CZ-O 3.4Å; Q65-K67 PolarHBondContact O-N 3.29Å; K67-V240 HydrophobicContact CB-CG1 4.4Å; K67-V240 HydrophobicContact CD-CG1 3.88Å; K67-V240 HydrophobicContact CG-CG1 4.03Å; K67-L425 PolarHBondContact NZ-O 3.08Å; K67-L425 VanDerWaalsContact NZ-O 3.14Å; K67-C431 PolarHBondContact NZ-SG 3.42Å
68	L	88.7	Confident	95	Very high	105 Å²	105	20.9 Å²	20.9	55%	0.55	13%	0.125	S	C	.	.	S	Bend	trans	-65.7	139.8	-177.2	-175.5	70.7	0	0	0	110.8	F45 E47 R428	F45-L68 HydrophobicContact CB-CD1 4Å; F45-L68 HydrophobicContact CD1-CB 3.83Å; F45-L68 HydrophobicContact CD1-CD1 3.4Å; F45-L68 VanDerWaalsContact CD1-CD1 3.4Å; F45-L68 HydrophobicContact CD1-CG 4.2Å; F45-L68 HydrophobicContact CE1-CB 3.63Å; F45-L68 HydrophobicContact CE1-CD1 3.99Å; F45-L68 HydrophobicContact CE1-CG 4.43Å; F45-L68 HydrophobicContact CG-CD1 3.77Å; E47-L68 HydrophobicContact CG-CB 4.4Å; E47-L68 WeakPolarHBondContact OE1-CB 3.39Å; E47-L68 PolarHBondContact OE1-N 2.88Å; L68-R428 PolarHBondContact O-NH2 3.43Å
69	G	89.6	Confident	95.4	Very high	42 Å²	42	23.1 Å²	23.1	43%	0.433	13%	0.133	S	C	.	.	S	Bend	trans	128.1	176.5	173	0	0	0	0	0	113.3	N141	G69-N141 PolarHBondContact O-ND2 2.84Å
70	S	92.6	Very high	95.6	Very high	66 Å²	66	22.4 Å²	22.4	46%	0.462	13%	0.125	S	C	.	.	S	Bend	trans	-96.7	3.1	179.1	54.8	0	0	0	0	113.4	F140 N141	S70-F140 CarbonylContact O-C 3.56Å; S70-F140 VanDerWaalsContact O-CA 3.29Å; S70-F140 WeakPolarHBondContact O-CA 3.32Å; S70-N141 PolarHBondContact O-N 3.01Å; S70-N141 PolarHBondContact O-OD1 3.26Å
71	Q	94.6	Very high	95.5	Very high	63 Å²	63	22.4 Å²	22.4	29%	0.294	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.1	-175.6	-60.4	-63.5	-31.2	0	0	110.3	G139	Q71-G139 CarbonylContact C-O 3.52Å; Q71-G139 WeakPolarHBondContact CA-O 3.32Å; Q71-G139 VanDerWaalsContact OE1-CA 3.31Å; Q71-G139 PolarHBondContact OE1-O 3.36Å; Q71-G139 VanDerWaalsContact OE1-O 3.12Å
72	C	96.3	Very high	95.5	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	156.3	174.7	66.9	0	0	0	0	111.6	S138 G139 N141 V240 I242	C72-S138 VanDerWaalsContact O-CA 3.29Å; C72-S138 WeakPolarHBondContact O-CA 3.33Å; C72-G139 PolarHBondContact N-O 3.42Å; C72-G139 PolarHBondContact O-N 3.33Å; C72-G139 PolarHBondContact SG-O 3.04Å; C72-N141 HydrophobicContact CB-CB 4.13Å; C72-V240 CarbonylContact C-O 3.54Å; C72-V240 WeakPolarHBondContact CA-O 3.35Å; C72-V240 WeakPolarHBondContact CB-O 3.49Å; C72-I242 HydrophobicContact CB-CD1 3.79Å; C72-I242 HydrophobicContact CB-CG1 3.53Å
73	A	97.3	Very high	95.3	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.6	165.5	0	0	0	0	0	107.6	S138 G239 V240 R428 F432	A73-S138 WeakPolarHBondContact CB-OG 3.48Å; A73-G239 CarbonylContact O-C 3.39Å; A73-G239 VanDerWaalsContact O-CA 3.31Å; A73-G239 WeakPolarHBondContact O-CA 3.28Å; A73-V240 PolarHBondContact N-O 3.24Å; A73-V240 PolarHBondContact O-N 2.97Å; A73-R428 HydrophobicContact CB-CB 4.44Å; A73-F432 HydrophobicContact CB-CB 4.1Å
74	I	97.9	Very high	95.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.7	178.9	-50.9	162.7	0	0	0	107.1	A136 V137 M144 L147 L151 V237 A238 I242 L247	I74-A136 WeakPolarHBondContact O-CA 3.42Å; I74-V137 HydrophobicContact CB-CG2 4.09Å; I74-V137 PolarHBondContact N-O 3.14Å; I74-V137 PolarHBondContact O-N 3.29Å; I74-M144 HydrophobicContact CD1-CB 4.27Å; I74-M144 HydrophobicContact CD1-CG 3.7Å; I74-L147 HydrophobicContact CD1-CB 3.99Å; I74-L151 HydrophobicContact CB-CD1 3.94Å; I74-L151 HydrophobicContact CG2-CD1 3.52Å; I74-V237 HydrophobicContact CG2-CG1 4.31Å; I74-A238 WeakPolarHBondContact CA-O 3.41Å; I74-I242 HydrophobicContact CD1-CD1 3.76Å; I74-I242 HydrophobicContact CG1-CD1 3.31Å; I74-L247 HydrophobicContact CG2-CD1 4.25Å
75	G	98	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	169.8	170.2	0	0	0	0	0	113.1	Y135 V237 A238	G75-Y135 CarbonylContact C-O 3.55Å; G75-Y135 WeakPolarHBondContact CA-O 3.09Å; G75-V237 WeakPolarHBondContact O-CA 3.38Å; G75-A238 PolarHBondContact N-O 2.7Å; G75-A238 PolarHBondContact O-N 2.92Å
76	V	98.2	Very high	94.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.8	174	-169.6	0	0	0	0	107.4	I78 V134 Y135 L151 V155 M235 V236 V237 F255	V76-I78 HydrophobicContact CG1-CG1 4.02Å; V76-V134 WeakPolarHBondContact O-CA 3.36Å; V76-Y135 PolarHBondContact N-O 3.19Å; V76-Y135 PolarHBondContact O-N 3.46Å; V76-L151 HydrophobicContact CG2-CB 4.29Å; V76-V155 HydrophobicContact CB-CG2 4.05Å; V76-V155 HydrophobicContact CG1-CG1 4.4Å; V76-V155 HydrophobicContact CG1-CG2 4.34Å; V76-V155 HydrophobicContact CG2-CG2 4.02Å; V76-M235 HydrophobicContact CG1-CB 4.46Å; V76-M235 HydrophobicContact CG1-SD 4.32Å; V76-V236 WeakPolarHBondContact CA-O 3.47Å; V76-V237 HydrophobicContact CG2-CG2 4.24Å; V76-F255 HydrophobicContact CG2-CE1 3.91Å; V76-F255 HydrophobicContact CG2-CZ 3.56Å
77	I	98.1	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.3	167.5	-165.9	172.6	0	0	0	108.8	F132 I133 V134 M235 V236 A436 R437 L440	I77-F132 HydrophobicContact CD1-CB 4.02Å; I77-F132 HydrophobicContact CD1-CD2 3.76Å; I77-F132 HydrophobicContact CD1-CE2 4.32Å; I77-F132 HydrophobicContact CD1-CG 3.85Å; I77-F132 HydrophobicContact CG1-CB 3.91Å; I77-F132 HydrophobicContact CG1-CD2 4.04Å; I77-F132 HydrophobicContact CG1-CG 4.19Å; I77-I133 WeakPolarHBondContact CA-O 3.4Å; I77-V134 HydrophobicContact CB-CG2 4.27Å; I77-V134 HydrophobicContact CD1-CG2 4.02Å; I77-V134 HydrophobicContact CG1-CG2 3.8Å; I77-M235 WeakPolarHBondContact O-CA 3.47Å; I77-V236 HydrophobicContact CG2-CB 3.74Å; I77-V236 HydrophobicContact CG2-CG2 4.37Å; I77-V236 PolarHBondContact N-O 2.83Å; I77-V236 PolarHBondContact O-N 3.31Å; I77-A436 HydrophobicContact CB-CB 4.02Å; I77-A436 HydrophobicContact CD1-CB 4.27Å; I77-A436 HydrophobicContact CG2-CB 3.63Å; I77-R437 HydrophobicContact CD1-CB 4.41Å; I77-R437 HydrophobicContact CD1-CG 3.49Å; I77-R437 VanDerWaalsContact CD1-CG 3.49Å; I77-L440 HydrophobicContact CD1-CD2 3.96Å; I77-L440 HydrophobicContact CG1-CD2 3.94Å; I77-L440 HydrophobicContact CG2-CB 4.16Å; I77-L440 HydrophobicContact CG2-CD1 4.33Å; I77-L440 HydrophobicContact CG2-CD2 4.32Å
78	I	97	Very high	94.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	133.1	-175.4	-45.9	-179.1	0	0	0	107.9	V76 A80 F132 I133 Y135 V155 F230 N234 M235	V76-I78 HydrophobicContact CG1-CG1 4.02Å; I78-A80 HydrophobicContact CB-CB 4.41Å; I78-A80 HydrophobicContact CG2-CB 3.99Å; I78-A80 PolarHBondContact O-N 3.43Å; I78-F132 CarbonylContact O-C 3.57Å; I78-F132 WeakPolarHBondContact O-CA 3.38Å; I78-F132 WeakPolarHBondContact O-CB 3.48Å; I78-I133 PolarHBondContact N-O 3.22Å; I78-I133 PolarHBondContact O-N 3.2Å; I78-Y135 HydrophobicContact CD1-CD2 4.15Å; I78-Y135 HydrophobicContact CD1-CE2 3.89Å; I78-V155 HydrophobicContact CD1-CG1 3.88Å; I78-F230 HydrophobicContact CD1-CD1 3.75Å; I78-F230 HydrophobicContact CD1-CD2 4Å; I78-F230 HydrophobicContact CD1-CE1 3.6Å; I78-F230 HydrophobicContact CD1-CE2 3.86Å; I78-F230 HydrophobicContact CD1-CG 3.96Å; I78-F230 HydrophobicContact CD1-CZ 3.66Å; I78-F230 HydrophobicContact CG2-CD2 3.81Å; I78-F230 HydrophobicContact CG2-CE2 4.13Å; I78-F230 HydrophobicContact CG2-CG 4.37Å; I78-N234 WeakPolarHBondContact CA-O 3.41Å; I78-M235 HydrophobicContact CB-CG 4.37Å; I78-M235 HydrophobicContact CD1-SD 4.24Å; I78-M235 HydrophobicContact CG1-CG 4.01Å; I78-M235 HydrophobicContact CG1-SD 4.27Å; I78-M235 HydrophobicContact CG2-CG 4Å
79	K	95.1	Very high	95	Very high	86 Å²	86	23.5 Å²	23.5	37%	0.374	14%	0.142	S	C	.	.	S	Bend	trans	-71.6	73.9	172	-169.2	175.7	-179.4	178.9	0	110.4	Y84 N234 L440	K79-Y84 WeakPolarHBondContact CE-OH 3.48Å; K79-Y84 HydrophobicContact CG-CE1 4.41Å; K79-Y84 HydrophobicContact CG-CE2 4.2Å; K79-Y84 WeakPolarHBondContact CG-OH 3.33Å; K79-N234 HydrophobicContact CB-CB 4.1Å; K79-N234 PolarHBondContact N-O 3.5Å; K79-L440 HydrophobicContact CB-CD1 4.2Å; K79-L440 HydrophobicContact CB-CD2 4.35Å
80	A	95	Very high	95.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.			trans	-145.1	171	-176.2	0	0	0	0	0	109.7	I78 D131 F132 I133 F225 Q229 F230	I78-A80 HydrophobicContact CB-CB 4.41Å; I78-A80 HydrophobicContact CG2-CB 3.99Å; I78-A80 PolarHBondContact O-N 3.43Å; A80-D131 CarbonylContact O-C 3.59Å; A80-F132 CarbonylContact O-C 3.19Å; A80-F132 WeakPolarHBondContact O-CA 3.44Å; A80-F132 PolarHBondContact O-N 2.64Å; A80-I133 HydrophobicContact CB-CD1 3.8Å; A80-I133 HydrophobicContact CB-CG1 3.93Å; A80-I133 PolarHBondContact O-N 3.39Å; A80-F225 HydrophobicContact CB-CE1 4.3Å; A80-Q229 HydrophobicContact CB-CB 3.95Å; A80-Q229 HydrophobicContact CB-CG 4.4Å; A80-F230 HydrophobicContact CB-CE2 4.2Å
81	G	95.4	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	132.7	-179.8	-177.7	0	0	0	0	0	112.8	R83 Y84 S93 R130	G81-R83 PolarHBondContact O-N 3.31Å; G81-Y84 PolarHBondContact O-N 2.86Å; G81-S93 VanDerWaalsContact CA-OG 3.23Å; G81-S93 WeakPolarHBondContact CA-OG 3.39Å; G81-R130 CarbonylContact C-O 3.57Å
82	P	95.4	Very high	95.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-47.1	-37.1	-179.1	-30.2	34	0	0	0	114.3	Y84 E85 V128 A129 R130 L205	P82-Y84 PolarHBondContact O-N 3.47Å; P82-E85 WeakPolarHBondContact O-CB 3.04Å; P82-E85 PolarHBondContact O-N 2.96Å; P82-V128 HydrophobicContact CG-CG1 4.48Å; P82-A129 VanDerWaalsContact CD-O 3.23Å; P82-A129 WeakPolarHBondContact CD-O 3.34Å; P82-R130 WeakPolarHBondContact CD-O 3.46Å; P82-L205 HydrophobicContact CB-CB 4.45Å; P82-L205 WeakPolarHBondContact O-CB 3.12Å; P82-L205 WeakPolarHBondContact O-CD1 3.36Å
83	R	94.7	Very high	95.6	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.079	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-52.6	-31.4	177.2	177.6	178	174.2	140	8.3	113.6	G81 R130 D131 T202 L203 S279 D371	G81-R83 PolarHBondContact O-N 3.31Å; R83-R130 WeakPolarHBondContact CB-O 3.04Å; R83-R130 PolarHBondContact N-O 2.91Å; R83-D131 HydrophobicContact CB-CB 4.45Å; R83-T202 WeakPolarHBondContact CA-O 3.41Å; R83-L203 HydrophobicContact CB-CD2 4.46Å; R83-L203 HydrophobicContact CG-CD2 4.42Å; R83-S279 PolarHBondContact NH2-OG 2.81Å; R83-D371 IonicContact CZ-OD1 3.21Å; R83-D371 IonicContact CZ-OD2 3.55Å; R83-D371 IonicContact NH1-OD1 3.75Å; R83-D371 PolarHBondContact NH1-OD1 3.11Å; R83-D371 IonicContact NH1-OD2 3.92Å; R83-D371 IonicContact NH2-OD1 3.61Å; R83-D371 PolarHBondContact NH2-OD1 3.21Å; R83-D371 VanDerWaalsContact NH2-OD1 3.09Å; R83-D371 IonicContact NH2-OD2 3.9Å; R83-D371 PolarHBondContact NH2-OD2 3.17Å
84	Y	94	Very high	95.6	Very high	16 Å²	16	16.6 Å²	16.6	6%	0.063	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-101.8	10.8	-174.7	-50	-79.8	0	0	0	113	K79 G81 P82 D131	K79-Y84 WeakPolarHBondContact CE-OH 3.48Å; K79-Y84 HydrophobicContact CG-CE1 4.41Å; K79-Y84 HydrophobicContact CG-CE2 4.2Å; K79-Y84 WeakPolarHBondContact CG-OH 3.33Å; G81-Y84 PolarHBondContact O-N 2.86Å; P82-Y84 PolarHBondContact O-N 3.47Å; Y84-D131 HydrophobicContact CE2-CB 4.44Å; Y84-D131 WeakPolarHBondContact CE2-O 3.37Å; Y84-D131 PolarHBondContact OH-O 3.19Å
85	E	94.1	Very high	95.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	9%	0.094	C	C	.	.			trans	-89.5	2.7	-176.7	-66.3	-178.7	178.6	0	0	114.5	P82 N87 F88 S90 G91 T92 S93 L205 F225	P82-E85 WeakPolarHBondContact O-CB 3.04Å; P82-E85 PolarHBondContact O-N 2.96Å; E85-N87 PolarHBondContact O-N 3.36Å; E85-N87 VanDerWaalsContact O-N 3.1Å; E85-F88 CarbonylContact O-C 3.5Å; E85-F88 WeakPolarHBondContact O-CA 3.49Å; E85-F88 PolarHBondContact O-N 3.22Å; E85-S90 WeakPolarHBondContact OE2-CA 3.35Å; E85-G91 PolarHBondContact OE2-N 3.39Å; E85-T92 PolarHBondContact OE1-N 3.3Å; E85-S93 WeakPolarHBondContact OE1-CA 3.23Å; E85-S93 WeakPolarHBondContact OE1-CB 3.36Å; E85-S93 PolarHBondContact OE1-N 3.47Å; E85-S93 PolarHBondContact OE1-OG 3.01Å; E85-L205 HydrophobicContact CB-CD1 4.25Å; E85-F225 HydrophobicContact CG-CE2 3.76Å; E85-F225 HydrophobicContact CG-CZ 4.22Å
86	G	91.3	Very high	95.6	Very high	42 Å²	42	16.9 Å²	16.9	43%	0.433	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.8	-172.8	0	0	0	0	0	115.4	I275	G86-I275 VanDerWaalsContact C-CD1 3.46Å
87	N	91.7	Very high	95.5	Very high	89 Å²	89	18.9 Å²	18.9	48%	0.476	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	6.2	174	-71.7	-20.8	0	0	0	112.7	E85 P272 S273 I275	E85-N87 PolarHBondContact O-N 3.36Å; E85-N87 VanDerWaalsContact O-N 3.1Å; N87-P272 HydrophobicContact CB-CB 3.78Å; N87-S273 PolarHBondContact ND2-O 3.38Å; N87-I275 HydrophobicContact CB-CD1 4.2Å; N87-I275 HydrophobicContact CB-CG1 4.48Å; N87-I275 VanDerWaalsContact N-CD1 3.31Å; N87-I275 WeakPolarHBondContact ND2-CG1 3.42Å
88	F	93.7	Very high	95.4	Very high	24 Å²	24	20.7 Å²	20.7	11%	0.105	11%	0.113	C	C	.	.	S	Bend	trans	-122.5	170.9	-177.7	-61.2	-88.7	0	0	0	109.7	E85 S90 K224 F225 A228 P272	E85-F88 CarbonylContact O-C 3.5Å; E85-F88 WeakPolarHBondContact O-CA 3.49Å; E85-F88 PolarHBondContact O-N 3.22Å; F88-S90 PolarHBondContact O-N 3.46Å; F88-K224 HydrophobicContact CE1-CB 4.02Å; F88-F225 HydrophobicContact CB-CD2 4.21Å; F88-F225 HydrophobicContact CD1-CB 4.01Å; F88-F225 AromaticContact CD1-CD2 3.96Å; F88-F225 HydrophobicContact CD1-CD2 3.96Å; F88-F225 AromaticContact CD2-CD2 3.66Å; F88-F225 HydrophobicContact CD2-CD2 3.66Å; F88-F225 HydrophobicContact CD2-CE2 4.14Å; F88-F225 HydrophobicContact CE1-CB 4.05Å; F88-F225 HydrophobicContact CE1-CD2 4.24Å; F88-F225 AromaticContact CE2-CD2 3.96Å; F88-F225 HydrophobicContact CE2-CD2 3.96Å; F88-F225 AromaticContact CG-CD2 3.67Å; F88-F225 HydrophobicContact CG-CD2 3.67Å; F88-F225 HydrophobicContact CG-CE2 4.47Å; F88-F225 HydrophobicContact CZ-CD2 4.25Å; F88-A228 HydrophobicContact CE2-CB 4.47Å; F88-A228 HydrophobicContact CZ-CB 3.74Å; F88-P272 HydrophobicContact CE1-CG 4.02Å; F88-P272 HydrophobicContact CZ-CB 4.25Å; F88-P272 HydrophobicContact CZ-CG 4.12Å
89	V	94	Very high	95.4	Very high	38 Å²	38	21.4 Å²	21.4	23%	0.23	12%	0.117	C	C	.	.			trans	-73.7	120.7	174.5	-175.1	0	0	0	0	108.6	G91 T92 N213 K216 I217	V89-G91 PolarHBondContact O-N 2.84Å; V89-T92 PolarHBondContact O-N 2.9Å; V89-T92 PolarHBondContact O-OG1 3.34Å; V89-N213 HydrophobicContact CG1-CB 4.01Å; V89-K216 HydrophobicContact CG1-CB 4.12Å; V89-I217 HydrophobicContact CB-CG1 3.82Å; V89-I217 HydrophobicContact CG1-CD1 4.2Å; V89-I217 HydrophobicContact CG1-CG1 3.49Å; V89-I217 VanDerWaalsContact CG1-CG1 3.49Å
90	S	95.4	Very high	95.4	Very high	27 Å²	27	17.5 Å²	17.5	19%	0.189	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	131.5	-178.8	-49.2	0	0	0	0	111.5	E85 F88 P210 N213	E85-S90 WeakPolarHBondContact OE2-CA 3.35Å; F88-S90 PolarHBondContact O-N 3.46Å; S90-P210 WeakPolarHBondContact O-CD 3.4Å; S90-N213 PolarHBondContact O-ND2 2.99Å
91	G	96.2	Very high	95.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	108	-5.4	-171.8	0	0	0	0	0	114.4	E85 V89 S93 H94 Y95	E85-G91 PolarHBondContact OE2-N 3.39Å; V89-G91 PolarHBondContact O-N 2.84Å; G91-S93 VanDerWaalsContact C-N 3.3Å; G91-S93 PolarHBondContact O-N 3.35Å; G91-H94 WeakPolarHBondContact O-CB 3.46Å; G91-H94 PolarHBondContact O-N 2.93Å; G91-Y95 PolarHBondContact O-N 3.2Å
92	T	97.1	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-37.4	-178.1	-61.6	0	0	0	0	112.4	E85 V89 H94 Y95 L96 I222 F225	E85-T92 PolarHBondContact OE1-N 3.3Å; V89-T92 PolarHBondContact O-N 2.9Å; V89-T92 PolarHBondContact O-OG1 3.34Å; T92-H94 VanDerWaalsContact C-N 3.32Å; T92-H94 PolarHBondContact O-N 3.11Å; T92-Y95 WeakPolarHBondContact O-CB 3.3Å; T92-Y95 PolarHBondContact O-N 2.89Å; T92-L96 PolarHBondContact O-N 3.27Å; T92-I222 HydrophobicContact CG2-CG1 4.24Å; T92-F225 HydrophobicContact CG2-CB 3.64Å; T92-F225 HydrophobicContact CG2-CD1 4.26Å; T92-F225 HydrophobicContact CG2-CD2 4.3Å; T92-F225 HydrophobicContact CG2-CG 3.82Å
93	S	97.2	Very high	95.6	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-34.1	175.9	-51.4	0	0	0	0	111.7	G81 E85 G91 Y95 L96 E97	G81-S93 VanDerWaalsContact CA-OG 3.23Å; G81-S93 WeakPolarHBondContact CA-OG 3.39Å; E85-S93 WeakPolarHBondContact OE1-CA 3.23Å; E85-S93 WeakPolarHBondContact OE1-CB 3.36Å; E85-S93 PolarHBondContact OE1-N 3.47Å; E85-S93 PolarHBondContact OE1-OG 3.01Å; G91-S93 VanDerWaalsContact C-N 3.3Å; G91-S93 PolarHBondContact O-N 3.35Å; S93-Y95 VanDerWaalsContact C-N 3.31Å; S93-Y95 PolarHBondContact O-N 3.04Å; S93-L96 WeakPolarHBondContact O-CB 3.43Å; S93-L96 PolarHBondContact O-N 3.03Å; S93-L96 VanDerWaalsContact O-N 3.15Å; S93-E97 PolarHBondContact O-N 3.24Å
94	H	97.7	Very high	95.7	Very high	3 Å²	3	18 Å²	18	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-66.9	-35.1	175.5	-165.7	-157.7	0	0	0	111.4	G91 T92 E97 K98 E175 C209	G91-H94 WeakPolarHBondContact O-CB 3.46Å; G91-H94 PolarHBondContact O-N 2.93Å; T92-H94 VanDerWaalsContact C-N 3.32Å; T92-H94 PolarHBondContact O-N 3.11Å; H94-E97 IonicContact CD2-OE2 2.64Å; H94-E97 WeakPolarHBondContact O-CB 3.24Å; H94-E97 PolarHBondContact O-N 3.46Å; H94-K98 PolarHBondContact O-N 3.22Å; H94-E175 IonicContact CE1-OE2 2.62Å; H94-E175 IonicContact NE2-OE1 3.43Å; H94-E175 IonicContact NE2-OE2 3.87Å; H94-E175 PolarHBondContact NE2-OE2 3.25Å; H94-C209 HydrophobicContact CB-CB 4.3Å; H94-C209 PolarHBondContact ND1-N 3.37Å
95	Y	98	Very high	95.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-44.4	168.5	-87.5	-98.9	0	0	0	111.8	G91 T92 S93 E97 K98 L99 V165 A168 A169 I172 L214 I217 I222	G91-Y95 PolarHBondContact O-N 3.2Å; T92-Y95 WeakPolarHBondContact O-CB 3.3Å; T92-Y95 PolarHBondContact O-N 2.89Å; S93-Y95 VanDerWaalsContact C-N 3.31Å; S93-Y95 PolarHBondContact O-N 3.04Å; Y95-E97 VanDerWaalsContact C-N 3.28Å; Y95-E97 PolarHBondContact O-N 2.94Å; Y95-K98 PolarHBondContact O-N 3.13Å; Y95-K98 VanDerWaalsContact O-N 3.14Å; Y95-L99 WeakPolarHBondContact O-CB 3.32Å; Y95-L99 VanDerWaalsContact O-CG 3.27Å; Y95-L99 WeakPolarHBondContact O-CG 3.49Å; Y95-L99 PolarHBondContact O-N 3.1Å; Y95-V165 HydrophobicContact CD1-CG1 4.34Å; Y95-V165 HydrophobicContact CE1-CG1 4.16Å; Y95-A168 HydrophobicContact CD1-CB 3.87Å; Y95-A168 HydrophobicContact CE1-CB 4.22Å; Y95-A169 HydrophobicContact CE1-CB 3.87Å; Y95-A169 WeakPolarHBondContact OH-CA 3.48Å; Y95-A169 WeakPolarHBondContact OH-CB 3.14Å; Y95-I172 HydrophobicContact CD1-CD1 4.13Å; Y95-I172 HydrophobicContact CD2-CD1 3.52Å; Y95-I172 HydrophobicContact CE1-CD1 4.29Å; Y95-I172 HydrophobicContact CE2-CD1 3.72Å; Y95-I172 HydrophobicContact CG-CD1 3.76Å; Y95-L214 PolarHBondContact OH-O 3.12Å; Y95-I217 HydrophobicContact CD1-CG2 4.33Å; Y95-I217 HydrophobicContact CD2-CB 4.22Å; Y95-I217 HydrophobicContact CD2-CD1 3.61Å; Y95-I217 HydrophobicContact CD2-CG2 3.88Å; Y95-I217 HydrophobicContact CE1-CG2 4.49Å; Y95-I217 HydrophobicContact CE2-CB 3.91Å; Y95-I217 HydrophobicContact CE2-CD1 3.56Å; Y95-I217 HydrophobicContact CE2-CG1 4.3Å; Y95-I217 HydrophobicContact CE2-CG2 4.04Å; Y95-I217 HydrophobicContact CG-CG2 4.02Å; Y95-I222 HydrophobicContact CD1-CD1 4.05Å; Y95-I222 HydrophobicContact CG-CD1 4.29Å
96	L	97.4	Very high	95.8	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-33.6	177.1	-75.8	176.3	0	0	0	113.7	T92 S93 L99 G100 I133 I222 F225 V226 F230	T92-L96 PolarHBondContact O-N 3.27Å; S93-L96 WeakPolarHBondContact O-CB 3.43Å; S93-L96 PolarHBondContact O-N 3.03Å; S93-L96 VanDerWaalsContact O-N 3.15Å; L96-L99 PolarHBondContact O-N 3.46Å; L96-G100 PolarHBondContact O-N 2.78Å; L96-I133 HydrophobicContact CD1-CD1 4.29Å; L96-I222 HydrophobicContact CD2-CG2 3.57Å; L96-I222 HydrophobicContact CG-CG2 4.16Å; L96-F225 HydrophobicContact CD1-CD1 3.48Å; L96-F225 VanDerWaalsContact CD1-CD1 3.48Å; L96-F225 HydrophobicContact CD1-CE1 3.78Å; L96-V226 HydrophobicContact CD1-CG2 4.04Å; L96-V226 HydrophobicContact CD2-CG2 3.58Å; L96-V226 HydrophobicContact CG-CG2 4.45Å; L96-F230 HydrophobicContact CD1-CE2 4.35Å; L96-F230 HydrophobicContact CD1-CZ 4.23Å
97	E	97.4	Very high	96.1	Very high	41 Å²	41	24.8 Å²	24.8	19%	0.192	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-51.1	171.5	-165.9	-167	118.9	0	0	110.7	S93 H94 Y95 L99 G100 V128	S93-E97 PolarHBondContact O-N 3.24Å; H94-E97 IonicContact CD2-OE2 2.64Å; H94-E97 WeakPolarHBondContact O-CB 3.24Å; H94-E97 PolarHBondContact O-N 3.46Å; Y95-E97 VanDerWaalsContact C-N 3.28Å; Y95-E97 PolarHBondContact O-N 2.94Å; E97-L99 VanDerWaalsContact C-N 3.33Å; E97-L99 PolarHBondContact O-N 2.91Å; E97-G100 PolarHBondContact O-N 3Å; E97-V128 HydrophobicContact CB-CG2 3.66Å; E97-V128 HydrophobicContact CG-CG2 4.04Å
98	K	96.3	Very high	96.3	Very high	38 Å²	38	24.3 Å²	24.3	17%	0.165	14%	0.138	C	C	.	.	H	α-helix	trans	-69.9	-32.3	-178	-58.3	-40.3	179.5	-161.9	0	112.3	H94 Y95 G100 H102 A168 I172 E175	H94-K98 PolarHBondContact O-N 3.22Å; Y95-K98 PolarHBondContact O-N 3.13Å; Y95-K98 VanDerWaalsContact O-N 3.14Å; K98-G100 VanDerWaalsContact C-N 3.26Å; K98-G100 PolarHBondContact O-N 2.78Å; K98-H102 PolarHBondContact O-CE1 3.48Å; K98-H102 PolarHBondContact O-ND1 3.19Å; K98-A168 HydrophobicContact CB-CB 3.97Å; K98-I172 HydrophobicContact CG-CD1 4.13Å; K98-I172 HydrophobicContact CG-CG1 3.69Å; K98-E175 WeakPolarHBondContact CE-OE2 3.46Å; K98-E175 IonicContact NZ-OE1 2.98Å; K98-E175 IonicContact NZ-OE2 3.98Å; K98-E175 PolarHBondContact NZ-OE2 2.85Å
99	L	96.7	Very high	96.4	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.084	15%	0.15	C	C	.	.	H	α-helix	trans	-77.9	-8.5	176.3	-67.8	168	0	0	0	113.2	Y95 L96 E97 F101 H102 I160 E164 V165 A168 I222	Y95-L99 WeakPolarHBondContact O-CB 3.32Å; Y95-L99 VanDerWaalsContact O-CG 3.27Å; Y95-L99 WeakPolarHBondContact O-CG 3.49Å; Y95-L99 PolarHBondContact O-N 3.1Å; L96-L99 PolarHBondContact O-N 3.46Å; E97-L99 VanDerWaalsContact C-N 3.33Å; E97-L99 PolarHBondContact O-N 2.91Å; L99-F101 PolarHBondContact O-N 3.31Å; L99-H102 WeakPolarHBondContact O-CB 3.48Å; L99-H102 PolarHBondContact O-N 3.37Å; L99-H102 PolarHBondContact O-ND1 3.29Å; L99-I160 HydrophobicContact CD1-CG2 3.99Å; L99-E164 HydrophobicContact CD2-CB 3.76Å; L99-V165 HydrophobicContact CD1-CG2 4.4Å; L99-A168 HydrophobicContact CD2-CB 4.15Å; L99-A168 HydrophobicContact CG-CB 4.18Å; L99-I222 HydrophobicContact CD1-CD1 3.81Å; L99-I222 HydrophobicContact CD1-CG2 4.14Å
100	G	95.3	Very high	96.4	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	137.4	172.9	0	0	0	0	0	111.9	L96 E97 K98 H102 R110	L96-G100 PolarHBondContact O-N 2.78Å; E97-G100 PolarHBondContact O-N 3Å; K98-G100 VanDerWaalsContact C-N 3.26Å; K98-G100 PolarHBondContact O-N 2.78Å; G100-H102 VanDerWaalsContact C-N 3.34Å; G100-H102 PolarHBondContact O-N 2.86Å; G100-H102 PolarHBondContact O-ND1 3.44Å; G100-R110 PolarHBondContact O-NH1 3.5Å
101	F	96.4	Very high	96.5	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	38.5	176.1	-51.1	-78.1	0	0	0	114.3	L99 F113 F124 D125 C126 Y135 V137 L151 T154	L99-F101 PolarHBondContact O-N 3.31Å; F101-F113 HydrophobicContact CB-CD1 3.89Å; F101-F113 HydrophobicContact CB-CE1 3.85Å; F101-F113 HydrophobicContact CB-CE2 4.48Å; F101-F113 HydrophobicContact CB-CG 4.25Å; F101-F113 HydrophobicContact CB-CZ 4.17Å; F101-F113 HydrophobicContact CD1-CD1 4.27Å; F101-F113 AromaticContact CD1-CE1 3.37Å; F101-F113 HydrophobicContact CD1-CE1 3.37Å; F101-F113 HydrophobicContact CD1-CE2 4.22Å; F101-F113 AromaticContact CD1-CZ 3.36Å; F101-F113 HydrophobicContact CD1-CZ 3.36Å; F101-F113 HydrophobicContact CE1-CE1 4.26Å; F101-F113 HydrophobicContact CE1-CZ 4.18Å; F101-F113 HydrophobicContact CG-CE1 4.03Å; F101-F113 HydrophobicContact CG-CZ 4.24Å; F101-F124 HydrophobicContact CB-CD2 3.86Å; F101-F124 HydrophobicContact CB-CE2 3.72Å; F101-F124 HydrophobicContact CD1-CB 4.39Å; F101-F124 HydrophobicContact CD1-CD2 4.05Å; F101-F124 HydrophobicContact CD1-CG 4.43Å; F101-F124 AromaticContact CD2-CD2 3.44Å; F101-F124 HydrophobicContact CD2-CD2 3.44Å; F101-F124 VanDerWaalsContact CD2-CD2 3.44Å; F101-F124 HydrophobicContact CD2-CE2 4.02Å; F101-F124 HydrophobicContact CD2-CG 4.4Å; F101-F124 HydrophobicContact CE1-CB 4.06Å; F101-F124 HydrophobicContact CE1-CD2 4.43Å; F101-F124 HydrophobicContact CE2-CB 4.26Å; F101-F124 AromaticContact CE2-CD2 3.9Å; F101-F124 HydrophobicContact CE2-CD2 3.9Å; F101-F124 AromaticContact CG-CD2 3.5Å; F101-F124 HydrophobicContact CG-CD2 3.5Å; F101-F124 VanDerWaalsContact CG-CD2 3.5Å; F101-F124 AromaticContact CG-CE2 3.92Å; F101-F124 HydrophobicContact CG-CE2 3.92Å; F101-F124 HydrophobicContact CG-CG 4.3Å; F101-F124 HydrophobicContact CZ-CB 3.97Å; F101-F124 HydrophobicContact CZ-CD2 4.35Å; F101-D125 VanDerWaalsContact CE2-C 3.49Å; F101-D125 VanDerWaalsContact CE2-O 3.28Å; F101-D125 WeakPolarHBondContact CE2-O 3.25Å; F101-C126 HydrophobicContact CD2-CB 4.26Å; F101-C126 HydrophobicContact CE2-CB 3.9Å; F101-Y135 AromaticContact CE2-CD1 3.97Å; F101-Y135 HydrophobicContact CE2-CD1 3.97Å; F101-Y135 HydrophobicContact CZ-CD1 4.17Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CZ-CG1 4.47Å; F101-L151 HydrophobicContact CE1-CD2 4.35Å; F101-T154 HydrophobicContact CD1-CG2 3.88Å; F101-T154 VanDerWaalsContact CD1-OG1 3.24Å; F101-T154 WeakPolarHBondContact CD1-OG1 2.95Å; F101-T154 HydrophobicContact CE1-CG2 4.19Å; F101-T154 HydrophobicContact CG-CG2 4.16Å
102	H	96	Very high	96.5	Very high	25 Å²	25	35.4 Å²	35.4	12%	0.116	19%	0.189	C	C	.	.			trans	-100.3	-151.2	173.9	-85.7	81.3	0	0	0	111.7	K98 L99 G100 R110 E164	K98-H102 PolarHBondContact O-CE1 3.48Å; K98-H102 PolarHBondContact O-ND1 3.19Å; L99-H102 WeakPolarHBondContact O-CB 3.48Å; L99-H102 PolarHBondContact O-N 3.37Å; L99-H102 PolarHBondContact O-ND1 3.29Å; G100-H102 VanDerWaalsContact C-N 3.34Å; G100-H102 PolarHBondContact O-N 2.86Å; G100-H102 PolarHBondContact O-ND1 3.44Å; H102-R110 PolarHBondContact CE1-NH1 3.22Å; H102-R110 PolarHBondContact ND1-NH1 3.35Å; H102-E164 WeakPolarHBondContact CB-OE1 3.38Å; H102-E164 IonicContact CD2-OE1 3.89Å
103	S	96.9	Very high	96.4	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.028	19%	0.19	C	C	.	.			trans	-61.5	139.7	179.4	67.7	0	0	0	0	112.7	Y107 A108 K159 E164	S103-Y107 CarbonylContact C-O 3.6Å; S103-Y107 WeakPolarHBondContact CA-O 3.32Å; S103-A108 VanDerWaalsContact CB-O 3.23Å; S103-A108 WeakPolarHBondContact CB-O 3.13Å; S103-K159 PolarHBondContact O-N 3.12Å; S103-E164 WeakPolarHBondContact CB-OE1 3.46Å; S103-E164 PolarHBondContact N-OE1 3.37Å; S103-E164 PolarHBondContact OG-OE1 3.05Å; S103-E164 PolarHBondContact OG-OE2 2.88Å
104	S	96.6	Very high	96.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-137.5	-176.6	175.2	78.3	0	0	0	0	110.2	L106 Y107 E153 R157 K159	S104-L106 VanDerWaalsContact C-N 3.25Å; S104-L106 PolarHBondContact O-N 2.95Å; S104-L106 PolarHBondContact OG-N 2.91Å; S104-Y107 PolarHBondContact N-O 3.37Å; S104-Y107 WeakPolarHBondContact OG-CD2 3.13Å; S104-Y107 PolarHBondContact OG-N 3.18Å; S104-Y107 VanDerWaalsContact OG-N 3.08Å; S104-E153 VanDerWaalsContact CB-OE2 3.25Å; S104-E153 WeakPolarHBondContact CB-OE2 3.45Å; S104-E153 PolarHBondContact OG-OE2 3.39Å; S104-R157 CarbonylContact C-O 3.44Å; S104-R157 WeakPolarHBondContact CA-O 3.32Å; S104-R157 VanDerWaalsContact CB-O 3.31Å; S104-R157 WeakPolarHBondContact CB-O 3.23Å; S104-K159 WeakPolarHBondContact O-CD 3.27Å; S104-K159 WeakPolarHBondContact O-CE 3.49Å; S104-K159 PolarHBondContact O-NZ 2.87Å
105	D	94.9	Very high	96.4	Very high	88 Å²	88	44.4 Å²	44.4	47%	0.471	23%	0.231	S	C	.	.	S	Bend	trans	-57.6	-40.3	173.4	-71.3	-15.4	0	0	0	112	E153 R157	D105-E153 PolarHBondContact N-OE2 3.01Å; D105-R157 HydrophobicContact CB-CB 4.11Å; D105-R157 PolarHBondContact N-O 3.29Å; D105-R157 VanDerWaalsContact N-O 3.1Å; D105-R157 WeakPolarHBondContact OD2-CD 3.49Å
106	L	95.8	Very high	96.3	Very high	92 Å²	92	44.8 Å²	44.8	48%	0.482	24%	0.235	S	C	.	.	S	Bend	trans	-83.7	-34.5	178	-172.8	60.7	0	0	0	114.3	S104 E153	S104-L106 VanDerWaalsContact C-N 3.25Å; S104-L106 PolarHBondContact O-N 2.95Å; S104-L106 PolarHBondContact OG-N 2.91Å; L106-E153 HydrophobicContact CB-CG 3.94Å; L106-E153 WeakPolarHBondContact CB-OE2 3.42Å; L106-E153 HydrophobicContact CD2-CG 4.26Å; L106-E153 PolarHBondContact N-OE2 3.04Å
107	Y	97	Very high	96.2	Very high	21 Å²	21	44.5 Å²	44.5	8%	0.082	23%	0.234	C	C	.	.			trans	-106.6	124.2	-174	-61.6	-63.7	0	0	0	111	S103 S104 D109 S112 F113 A116 I150 E153	S103-Y107 CarbonylContact C-O 3.6Å; S103-Y107 WeakPolarHBondContact CA-O 3.32Å; S104-Y107 PolarHBondContact N-O 3.37Å; S104-Y107 WeakPolarHBondContact OG-CD2 3.13Å; S104-Y107 PolarHBondContact OG-N 3.18Å; S104-Y107 VanDerWaalsContact OG-N 3.08Å; Y107-D109 VanDerWaalsContact C-N 3.32Å; Y107-D109 PolarHBondContact O-N 3.18Å; Y107-S112 WeakPolarHBondContact CA-OG 3.24Å; Y107-S112 WeakPolarHBondContact CB-OG 3.41Å; Y107-F113 AromaticContact CD2-CD2 3.38Å; Y107-F113 HydrophobicContact CD2-CD2 3.38Å; Y107-F113 AromaticContact CD2-CE2 3.62Å; Y107-F113 HydrophobicContact CD2-CE2 3.62Å; Y107-F113 HydrophobicContact CD2-CG 4.32Å; Y107-F113 AromaticContact CE2-CD2 3.9Å; Y107-F113 HydrophobicContact CE2-CD2 3.9Å; Y107-F113 AromaticContact CE2-CE2 3.8Å; Y107-F113 HydrophobicContact CE2-CE2 3.8Å; Y107-F113 HydrophobicContact CG-CB 4.41Å; Y107-F113 AromaticContact CG-CD2 3.82Å; Y107-F113 HydrophobicContact CG-CD2 3.82Å; Y107-F113 HydrophobicContact CG-CE2 4.49Å; Y107-F113 HydrophobicContact CG-CG 4.46Å; Y107-A116 HydrophobicContact CD1-CB 4.46Å; Y107-A116 HydrophobicContact CE1-CB 3.5Å; Y107-I150 HydrophobicContact CE2-CG1 4.29Å; Y107-I150 VanDerWaalsContact OH-CG1 3.27Å; Y107-I150 WeakPolarHBondContact OH-CG1 3.48Å; Y107-E153 HydrophobicContact CD2-CB 4.23Å; Y107-E153 HydrophobicContact CD2-CG 4.4Å; Y107-E153 HydrophobicContact CE2-CB 4.15Å; Y107-E153 HydrophobicContact CE2-CG 4.12Å
108	A	96	Very high	96.2	Very high	79 Å²	79	48.2 Å²	48.2	65%	0.653	25%	0.251	S	S	*	.	S	Bend	trans	-66.9	-36.1	-177.5	0	0	0	0	0	112.3	S103 S112	S103-A108 VanDerWaalsContact CB-O 3.23Å; S103-A108 WeakPolarHBondContact CB-O 3.13Å; A108-S112 PolarHBondContact N-OG 3.38Å
109	D	95.8	Very high	96.2	Very high	67 Å²	67	51.6 Å²	51.6	36%	0.358	27%	0.271	S	S	.	.	S	Bend	trans	-158.7	179.7	-177.3	62.3	28.6	0	0	0	111.2	Y107 N111 S112 F113	Y107-D109 VanDerWaalsContact C-N 3.32Å; Y107-D109 PolarHBondContact O-N 3.18Å; D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 3.22Å; D109-N111 WeakPolarHBondContact OD1-CA 3.42Å; D109-N111 WeakPolarHBondContact OD1-CB 3.37Å; D109-N111 PolarHBondContact OD1-N 3.4Å; D109-S112 PolarHBondContact N-OG 3.2Å; D109-S112 PolarHBondContact O-N 3.1Å; D109-S112 PolarHBondContact O-OG 2.9Å; D109-S112 PolarHBondContact OD1-N 3.12Å; D109-F113 PolarHBondContact O-N 2.6Å
110	R	95	Very high	96	Very high	104 Å²	104	51 Å²	51	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-57.6	-33.1	175.7	-170.6	-176.6	-179.7	91.1	-2.2	113.7	G100 H102 F113 Q114	G100-R110 PolarHBondContact O-NH1 3.5Å; H102-R110 PolarHBondContact CE1-NH1 3.22Å; H102-R110 PolarHBondContact ND1-NH1 3.35Å; R110-F113 WeakPolarHBondContact O-CB 3.48Å; R110-F113 PolarHBondContact O-N 2.91Å; R110-Q114 WeakPolarHBondContact O-CB 3.22Å; R110-Q114 PolarHBondContact O-N 3.34Å
111	N	96.4	Very high	96	Very high	120 Å²	120	56.8 Å²	56.8	64%	0.642	30%	0.298	S	S	*	.	H	α-helix	trans	-70.4	-42.2	-178.7	-65.1	-37	0	0	0	110.8	D109 F113 Q114 E115	D109-N111 VanDerWaalsContact C-N 3.26Å; D109-N111 PolarHBondContact O-N 3.22Å; D109-N111 WeakPolarHBondContact OD1-CA 3.42Å; D109-N111 WeakPolarHBondContact OD1-CB 3.37Å; D109-N111 PolarHBondContact OD1-N 3.4Å; N111-F113 PolarHBondContact O-N 3.39Å; N111-Q114 WeakPolarHBondContact O-CB 3.27Å; N111-Q114 PolarHBondContact O-N 3.46Å; N111-E115 PolarHBondContact O-N 2.96Å
112	S	96.5	Very high	96	Very high	30 Å²	30	57.3 Å²	57.3	21%	0.21	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-33.5	174.7	69.7	0	0	0	0	112	Y107 A108 D109 A116	Y107-S112 WeakPolarHBondContact CA-OG 3.24Å; Y107-S112 WeakPolarHBondContact CB-OG 3.41Å; A108-S112 PolarHBondContact N-OG 3.38Å; D109-S112 PolarHBondContact N-OG 3.2Å; D109-S112 PolarHBondContact O-N 3.1Å; D109-S112 PolarHBondContact O-OG 2.9Å; D109-S112 PolarHBondContact OD1-N 3.12Å; S112-A116 PolarHBondContact O-N 3.36Å
113	F	96.1	Very high	96	Very high	1 Å²	1	62 Å²	62	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-50.1	172.4	-155.9	-71.2	0	0	0	111.8	F101 Y107 D109 R110 N111 E115 A116 M117 I150 T154	F101-F113 HydrophobicContact CB-CD1 3.89Å; F101-F113 HydrophobicContact CB-CE1 3.85Å; F101-F113 HydrophobicContact CB-CE2 4.48Å; F101-F113 HydrophobicContact CB-CG 4.25Å; F101-F113 HydrophobicContact CB-CZ 4.17Å; F101-F113 HydrophobicContact CD1-CD1 4.27Å; F101-F113 AromaticContact CD1-CE1 3.37Å; F101-F113 HydrophobicContact CD1-CE1 3.37Å; F101-F113 HydrophobicContact CD1-CE2 4.22Å; F101-F113 AromaticContact CD1-CZ 3.36Å; F101-F113 HydrophobicContact CD1-CZ 3.36Å; F101-F113 HydrophobicContact CE1-CE1 4.26Å; F101-F113 HydrophobicContact CE1-CZ 4.18Å; F101-F113 HydrophobicContact CG-CE1 4.03Å; F101-F113 HydrophobicContact CG-CZ 4.24Å; Y107-F113 AromaticContact CD2-CD2 3.38Å; Y107-F113 HydrophobicContact CD2-CD2 3.38Å; Y107-F113 AromaticContact CD2-CE2 3.62Å; Y107-F113 HydrophobicContact CD2-CE2 3.62Å; Y107-F113 HydrophobicContact CD2-CG 4.32Å; Y107-F113 AromaticContact CE2-CD2 3.9Å; Y107-F113 HydrophobicContact CE2-CD2 3.9Å; Y107-F113 AromaticContact CE2-CE2 3.8Å; Y107-F113 HydrophobicContact CE2-CE2 3.8Å; Y107-F113 HydrophobicContact CG-CB 4.41Å; Y107-F113 AromaticContact CG-CD2 3.82Å; Y107-F113 HydrophobicContact CG-CD2 3.82Å; Y107-F113 HydrophobicContact CG-CE2 4.49Å; Y107-F113 HydrophobicContact CG-CG 4.46Å; D109-F113 PolarHBondContact O-N 2.6Å; R110-F113 WeakPolarHBondContact O-CB 3.48Å; R110-F113 PolarHBondContact O-N 2.91Å; N111-F113 PolarHBondContact O-N 3.39Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.42Å; F113-A116 WeakPolarHBondContact O-CB 3.44Å; F113-A116 PolarHBondContact O-N 2.97Å; F113-A116 VanDerWaalsContact O-N 3.12Å; F113-M117 HydrophobicContact CD1-CG 3.93Å; F113-M117 HydrophobicContact CE1-CG 3.79Å; F113-M117 HydrophobicContact CE1-SD 4.33Å; F113-M117 PolarHBondContact O-N 2.94Å; F113-M117 VanDerWaalsContact O-N 3.1Å; F113-I150 HydrophobicContact CE1-CG2 3.5Å; F113-I150 HydrophobicContact CE2-CG2 4.27Å; F113-I150 HydrophobicContact CZ-CB 4.26Å; F113-I150 HydrophobicContact CZ-CG2 3.2Å; F113-T154 WeakPolarHBondContact CE2-OG1 3.2Å; F113-T154 WeakPolarHBondContact CZ-OG1 3.24Å
114	Q	96.4	Very high	96	Very high	68 Å²	68	63.9 Å²	63.9	32%	0.318	34%	0.335	S	S	.	.	H	α-helix	trans	-56.3	-45.8	177.7	-178.9	66.6	34.3	0	0	111.3	R110 N111 A116 M117 E118	R110-Q114 WeakPolarHBondContact O-CB 3.22Å; R110-Q114 PolarHBondContact O-N 3.34Å; N111-Q114 WeakPolarHBondContact O-CB 3.27Å; N111-Q114 PolarHBondContact O-N 3.46Å; Q114-A116 VanDerWaalsContact C-N 3.32Å; Q114-A116 PolarHBondContact O-N 3.34Å; Q114-M117 PolarHBondContact O-N 3.33Å; Q114-E118 PolarHBondContact NE2-OE1 2.82Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 3.3Å
115	E	96.8	Very high	95.9	Very high	123 Å²	123	67.6 Å²	67.6	58%	0.575	35%	0.354	S	S	*	.	H	α-helix	trans	-60	-41.3	176.8	-175	-176.1	176.4	0	0	111.7	N111 F113 M117 E118 N119	N111-E115 PolarHBondContact O-N 2.96Å; F113-E115 VanDerWaalsContact C-N 3.32Å; F113-E115 PolarHBondContact O-N 3.42Å; E115-M117 VanDerWaalsContact C-N 3.31Å; E115-M117 PolarHBondContact O-N 3.27Å; E115-E118 PolarHBondContact O-N 3.22Å; E115-N119 WeakPolarHBondContact O-CB 3.27Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 2.72Å; E115-N119 PolarHBondContact O-ND2 2.97Å
116	A	96.1	Very high	96	Very high	10 Å²	10	63.9 Å²	63.9	8%	0.083	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-36.8	178.1	0	0	0	0	0	112.7	Y107 S112 F113 Q114 C120 K146 I150	Y107-A116 HydrophobicContact CD1-CB 4.46Å; Y107-A116 HydrophobicContact CE1-CB 3.5Å; S112-A116 PolarHBondContact O-N 3.36Å; F113-A116 WeakPolarHBondContact O-CB 3.44Å; F113-A116 PolarHBondContact O-N 2.97Å; F113-A116 VanDerWaalsContact O-N 3.12Å; Q114-A116 VanDerWaalsContact C-N 3.32Å; Q114-A116 PolarHBondContact O-N 3.34Å; A116-C120 PolarHBondContact O-N 2.77Å; A116-K146 PolarHBondContact O-NZ 3.26Å; A116-K146 VanDerWaalsContact O-NZ 3.12Å; A116-I150 HydrophobicContact CB-CD1 4.38Å
117	M	96.6	Very high	96	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-72.1	-43.6	176.6	-73.3	-60.7	-59.7	0	0	112.6	F113 Q114 E115 N119 C120 N121 S122 I123 F124 V137 L147 I150	F113-M117 HydrophobicContact CD1-CG 3.93Å; F113-M117 HydrophobicContact CE1-CG 3.79Å; F113-M117 HydrophobicContact CE1-SD 4.33Å; F113-M117 PolarHBondContact O-N 2.94Å; F113-M117 VanDerWaalsContact O-N 3.1Å; Q114-M117 PolarHBondContact O-N 3.33Å; E115-M117 VanDerWaalsContact C-N 3.31Å; E115-M117 PolarHBondContact O-N 3.27Å; M117-N119 VanDerWaalsContact C-N 3.33Å; M117-N119 PolarHBondContact O-N 2.68Å; M117-C120 CarbonylContact O-C 3.46Å; M117-C120 WeakPolarHBondContact O-CA 3.38Å; M117-C120 WeakPolarHBondContact O-CB 3.43Å; M117-C120 PolarHBondContact O-N 2.96Å; M117-N121 PolarHBondContact O-N 3.5Å; M117-S122 PolarHBondContact O-N 2.91Å; M117-S122 VanDerWaalsContact O-N 3.1Å; M117-I123 WeakPolarHBondContact CE-O 3.15Å; M117-F124 HydrophobicContact CB-CD1 3.89Å; M117-F124 HydrophobicContact CB-CE1 3.98Å; M117-F124 HydrophobicContact CE-CB 3.9Å; M117-F124 HydrophobicContact CE-CD1 3.86Å; M117-F124 HydrophobicContact CE-CG 4.34Å; M117-F124 HydrophobicContact CG-CD1 3.55Å; M117-F124 HydrophobicContact CG-CE1 3.89Å; M117-F124 HydrophobicContact CG-CG 4.39Å; M117-F124 HydrophobicContact SD-CD1 4.37Å; M117-V137 HydrophobicContact CE-CB 4.14Å; M117-V137 HydrophobicContact CE-CG1 4.06Å; M117-V137 HydrophobicContact SD-CG1 4.35Å; M117-L147 HydrophobicContact CE-CD2 4.07Å; M117-L147 HydrophobicContact SD-CD2 4.06Å; M117-I150 HydrophobicContact SD-CD1 3.72Å; M117-I150 HydrophobicContact SD-CG2 3.62Å
118	E	96.4	Very high	96	Very high	119 Å²	119	63.3 Å²	63.3	56%	0.556	33%	0.331	S	S	*	.	H	α-helix	trans	-62.8	-40	175.2	-74.4	-179.1	-170	0	0	111.8	Q114 E115 C120 N121	Q114-E118 PolarHBondContact NE2-OE1 2.82Å; Q114-E118 WeakPolarHBondContact O-CG 3.49Å; Q114-E118 PolarHBondContact O-N 3.3Å; E115-E118 PolarHBondContact O-N 3.22Å; E118-C120 PolarHBondContact O-N 3.17Å; E118-C120 VanDerWaalsContact O-N 3.13Å; E118-N121 PolarHBondContact O-N 3.49Å
119	N	95.7	Very high	96	Very high	110 Å²	110	60.7 Å²	60.7	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	173.3	-79.6	-43.6	0	0	0	113.3	E115 M117	E115-N119 WeakPolarHBondContact O-CB 3.27Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 2.72Å; E115-N119 PolarHBondContact O-ND2 2.97Å; M117-N119 VanDerWaalsContact C-N 3.33Å; M117-N119 PolarHBondContact O-N 2.68Å
120	C	94	Very high	95.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.8	173.3	-75.2	0	0	0	0	113.7	A116 M117 E118 S122 N143 K146 L147	A116-C120 PolarHBondContact O-N 2.77Å; M117-C120 CarbonylContact O-C 3.46Å; M117-C120 WeakPolarHBondContact O-CA 3.38Å; M117-C120 WeakPolarHBondContact O-CB 3.43Å; M117-C120 PolarHBondContact O-N 2.96Å; E118-C120 PolarHBondContact O-N 3.17Å; E118-C120 VanDerWaalsContact O-N 3.13Å; C120-S122 WeakPolarHBondContact CB-OG 3.38Å; C120-S122 PolarHBondContact O-N 3.05Å; C120-S122 PolarHBondContact O-OG 3.18Å; C120-N143 HydrophobicContact CB-CB 4.44Å; C120-N143 PolarHBondContact O-ND2 3.06Å; C120-K146 WeakPolarHBondContact SG-CD 3.31Å; C120-K146 VanDerWaalsContact SG-CE 3.57Å; C120-K146 PolarHBondContact SG-NZ 3.46Å; C120-L147 HydrophobicContact CB-CD2 4.37Å
121	N	95	Very high	95.9	Very high	125 Å²	125	54.2 Å²	54.2	67%	0.668	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	46.2	-165.6	-61.6	-73.6	0	0	0	111.5	M117 E118 F140	M117-N121 PolarHBondContact O-N 3.5Å; E118-N121 PolarHBondContact O-N 3.49Å; N121-F140 HydrophobicContact CB-CD2 4.31Å; N121-F140 HydrophobicContact CB-CE2 3.98Å
122	S	95.9	Very high	95.9	Very high	14 Å²	14	49.5 Å²	49.5	10%	0.098	26%	0.255	C	S	.	.			trans	-117.8	154.4	-174.1	-66	0	0	0	0	111.3	M117 C120 S138 G139 L147	M117-S122 PolarHBondContact O-N 2.91Å; M117-S122 VanDerWaalsContact O-N 3.1Å; C120-S122 WeakPolarHBondContact CB-OG 3.38Å; C120-S122 PolarHBondContact O-N 3.05Å; C120-S122 PolarHBondContact O-OG 3.18Å; S122-S138 CarbonylContact C-O 3.52Å; S122-S138 WeakPolarHBondContact CA-O 3.07Å; S122-S138 WeakPolarHBondContact CB-O 3.35Å; S122-G139 WeakPolarHBondContact OG-CA 3.41Å; S122-L147 WeakPolarHBondContact OG-CD2 3.33Å
123	I	96	Very high	96	Very high	124 Å²	124	48 Å²	48	64%	0.636	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	154.8	171.3	61.4	174.3	0	0	0	109.7	M117 V137 S138	M117-I123 WeakPolarHBondContact CE-O 3.15Å; I123-V137 CarbonylContact O-C 3.37Å; I123-V137 VanDerWaalsContact O-CA 3.27Å; I123-V137 WeakPolarHBondContact O-CA 3.46Å; I123-S138 PolarHBondContact N-O 3.33Å; I123-S138 PolarHBondContact O-N 3.46Å
124	F	96	Very high	96	Very high	43 Å²	43	48.3 Å²	48.3	19%	0.189	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154	174.2	59	-83.7	0	0	0	110.6	F101 M117 A136 V137	F101-F124 HydrophobicContact CB-CD2 3.86Å; F101-F124 HydrophobicContact CB-CE2 3.72Å; F101-F124 HydrophobicContact CD1-CB 4.39Å; F101-F124 HydrophobicContact CD1-CD2 4.05Å; F101-F124 HydrophobicContact CD1-CG 4.43Å; F101-F124 AromaticContact CD2-CD2 3.44Å; F101-F124 HydrophobicContact CD2-CD2 3.44Å; F101-F124 VanDerWaalsContact CD2-CD2 3.44Å; F101-F124 HydrophobicContact CD2-CE2 4.02Å; F101-F124 HydrophobicContact CD2-CG 4.4Å; F101-F124 HydrophobicContact CE1-CB 4.06Å; F101-F124 HydrophobicContact CE1-CD2 4.43Å; F101-F124 HydrophobicContact CE2-CB 4.26Å; F101-F124 AromaticContact CE2-CD2 3.9Å; F101-F124 HydrophobicContact CE2-CD2 3.9Å; F101-F124 AromaticContact CG-CD2 3.5Å; F101-F124 HydrophobicContact CG-CD2 3.5Å; F101-F124 VanDerWaalsContact CG-CD2 3.5Å; F101-F124 AromaticContact CG-CE2 3.92Å; F101-F124 HydrophobicContact CG-CE2 3.92Å; F101-F124 HydrophobicContact CG-CG 4.3Å; F101-F124 HydrophobicContact CZ-CB 3.97Å; F101-F124 HydrophobicContact CZ-CD2 4.35Å; M117-F124 HydrophobicContact CB-CD1 3.89Å; M117-F124 HydrophobicContact CB-CE1 3.98Å; M117-F124 HydrophobicContact CE-CB 3.9Å; M117-F124 HydrophobicContact CE-CD1 3.86Å; M117-F124 HydrophobicContact CE-CG 4.34Å; M117-F124 HydrophobicContact CG-CD1 3.55Å; M117-F124 HydrophobicContact CG-CE1 3.89Å; M117-F124 HydrophobicContact CG-CG 4.39Å; M117-F124 HydrophobicContact SD-CD1 4.37Å; F124-A136 CarbonylContact C-O 3.57Å; F124-A136 WeakPolarHBondContact CA-O 3.2Å; F124-V137 HydrophobicContact CB-CG1 3.93Å
125	D	95.3	Very high	96.1	Very high	79 Å²	79	45.4 Å²	45.4	42%	0.422	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	149.3	176.3	-166.8	20.8	0	0	0	111.4	F101 Q127 A136	F101-D125 VanDerWaalsContact CE2-C 3.49Å; F101-D125 VanDerWaalsContact CE2-O 3.28Å; F101-D125 WeakPolarHBondContact CE2-O 3.25Å; D125-Q127 WeakPolarHBondContact OD2-CG 3.45Å; D125-Q127 PolarHBondContact OD2-NE2 2.92Å; D125-A136 PolarHBondContact N-O 3.04Å; D125-A136 PolarHBondContact O-N 3.24Å
126	C	96.8	Very high	96.2	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.074	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.3	172.5	-177.6	0	0	0	0	109.1	F101 V134 Y135	F101-C126 HydrophobicContact CD2-CB 4.26Å; F101-C126 HydrophobicContact CE2-CB 3.9Å; C126-V134 CarbonylContact C-O 3.2Å; C126-V134 VanDerWaalsContact CA-O 3.28Å; C126-V134 WeakPolarHBondContact CA-O 3.49Å; C126-Y135 HydrophobicContact CB-CD1 3.97Å; C126-Y135 HydrophobicContact CB-CE1 4.08Å; C126-Y135 VanDerWaalsContact SG-CD1 3.57Å; C126-Y135 WeakPolarHBondContact SG-CE1 3.45Å
127	Q	96	Very high	96.2	Very high	94 Å²	94	40 Å²	40	44%	0.439	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.3	-178.4	-62	-177.9	-0.9	0	0	110.6	D125 I133 V134	D125-Q127 WeakPolarHBondContact OD2-CG 3.45Å; D125-Q127 PolarHBondContact OD2-NE2 2.92Å; Q127-I133 CarbonylContact O-C 3.59Å; Q127-I133 WeakPolarHBondContact O-CA 3.33Å; Q127-V134 PolarHBondContact N-O 3.46Å; Q127-V134 PolarHBondContact O-N 2.89Å
128	V	97	Very high	96.2	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.7	173.9	176.2	0	0	0	0	109	P82 E97 I133 K207	P82-V128 HydrophobicContact CG-CG1 4.48Å; E97-V128 HydrophobicContact CB-CG2 3.66Å; E97-V128 HydrophobicContact CG-CG2 4.04Å; V128-I133 HydrophobicContact CG1-CG1 4.37Å; V128-I133 HydrophobicContact CG2-CD1 4.26Å; V128-I133 HydrophobicContact CG2-CG1 4.03Å; V128-I133 HydrophobicContact CG2-CG2 4.07Å; V128-K207 WeakPolarHBondContact O-CE 3.38Å; V128-K207 PolarHBondContact O-NZ 3.23Å
129	A	95.5	Very high	96.2	Very high	25 Å²	25	36 Å²	36	21%	0.207	20%	0.195	C	C	.	.			trans	-90.4	179.1	162.8	0	0	0	0	0	109.7	P82 D131 F132	P82-A129 VanDerWaalsContact CD-O 3.23Å; P82-A129 WeakPolarHBondContact CD-O 3.34Å; A129-D131 VanDerWaalsContact C-N 3.34Å; A129-D131 PolarHBondContact O-N 2.62Å; A129-F132 WeakPolarHBondContact CA-O 3.27Å; A129-F132 HydrophobicContact CB-CD1 3.88Å; A129-F132 HydrophobicContact CB-CD2 3.74Å; A129-F132 HydrophobicContact CB-CE1 3.58Å; A129-F132 HydrophobicContact CB-CE2 3.47Å; A129-F132 VanDerWaalsContact CB-CE2 3.47Å; A129-F132 HydrophobicContact CB-CG 3.96Å; A129-F132 HydrophobicContact CB-CZ 3.39Å; A129-F132 WeakPolarHBondContact CB-O 3.5Å; A129-F132 PolarHBondContact N-O 2.87Å
130	R	95.2	Very high	96.2	Very high	18 Å²	18	34.3 Å²	34.3	7%	0.068	18%	0.183	C	C	.	.	S	Bend	trans	-65	-37.7	179.5	-79.4	179.5	160.1	64.9	13.5	112.7	G81 P82 R83 E191 H194 L203 Y369	G81-R130 CarbonylContact C-O 3.57Å; P82-R130 WeakPolarHBondContact CD-O 3.46Å; R83-R130 WeakPolarHBondContact CB-O 3.04Å; R83-R130 PolarHBondContact N-O 2.91Å; R130-E191 IonicContact CZ-OE2 2.64Å; R130-E191 IonicContact NH1-OE2 3.88Å; R130-E191 VanDerWaalsContact NH2-CD 3.31Å; R130-E191 IonicContact NH2-OE1 3.3Å; R130-E191 IonicContact NH2-OE2 3.05Å; R130-E191 PolarHBondContact NH2-OE2 2.78Å; R130-H194 VanDerWaalsContact NE-CG 3.3Å; R130-L203 HydrophobicContact CB-CD2 4.09Å; R130-L203 PolarHBondContact NE-O 2.93Å; R130-Y369 HydrophobicContact CB-CE1 4.3Å
131	D	94.5	Very high	96.3	Very high	17 Å²	17	36.9 Å²	36.9	9%	0.091	20%	0.197	C	C	.	.	S	Bend	trans	-123.3	1.5	-170.2	64.2	-29.6	0	0	0	114.3	A80 R83 Y84 A129	A80-D131 CarbonylContact O-C 3.59Å; R83-D131 HydrophobicContact CB-CB 4.45Å; Y84-D131 HydrophobicContact CE2-CB 4.44Å; Y84-D131 WeakPolarHBondContact CE2-O 3.37Å; Y84-D131 PolarHBondContact OH-O 3.19Å; A129-D131 VanDerWaalsContact C-N 3.34Å; A129-D131 PolarHBondContact O-N 2.62Å
132	F	96.1	Very high	96.3	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.088	20%	0.199	C	C	.	.			trans	-148	156.7	169.5	61.6	-96.9	0	0	0	113.2	I77 I78 A80 A129 V134 R437 L440	I77-F132 HydrophobicContact CD1-CB 4.02Å; I77-F132 HydrophobicContact CD1-CD2 3.76Å; I77-F132 HydrophobicContact CD1-CE2 4.32Å; I77-F132 HydrophobicContact CD1-CG 3.85Å; I77-F132 HydrophobicContact CG1-CB 3.91Å; I77-F132 HydrophobicContact CG1-CD2 4.04Å; I77-F132 HydrophobicContact CG1-CG 4.19Å; I78-F132 CarbonylContact O-C 3.57Å; I78-F132 WeakPolarHBondContact O-CA 3.38Å; I78-F132 WeakPolarHBondContact O-CB 3.48Å; A80-F132 CarbonylContact O-C 3.19Å; A80-F132 WeakPolarHBondContact O-CA 3.44Å; A80-F132 PolarHBondContact O-N 2.64Å; A129-F132 WeakPolarHBondContact CA-O 3.27Å; A129-F132 HydrophobicContact CB-CD1 3.88Å; A129-F132 HydrophobicContact CB-CD2 3.74Å; A129-F132 HydrophobicContact CB-CE1 3.58Å; A129-F132 HydrophobicContact CB-CE2 3.47Å; A129-F132 VanDerWaalsContact CB-CE2 3.47Å; A129-F132 HydrophobicContact CB-CG 3.96Å; A129-F132 HydrophobicContact CB-CZ 3.39Å; A129-F132 WeakPolarHBondContact CB-O 3.5Å; A129-F132 PolarHBondContact N-O 2.87Å; F132-V134 HydrophobicContact CD2-CG2 3.75Å; F132-V134 HydrophobicContact CE2-CG2 3.85Å; F132-R437 HydrophobicContact CE1-CG 4.37Å; F132-R437 HydrophobicContact CZ-CG 4.33Å; F132-L440 HydrophobicContact CB-CD2 4.13Å
133	I	97.8	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.1	168.4	-55.7	-178.2	0	0	0	108.1	I77 I78 A80 L96 Q127 V128 Y135	I77-I133 WeakPolarHBondContact CA-O 3.4Å; I78-I133 PolarHBondContact N-O 3.22Å; I78-I133 PolarHBondContact O-N 3.2Å; A80-I133 HydrophobicContact CB-CD1 3.8Å; A80-I133 HydrophobicContact CB-CG1 3.93Å; A80-I133 PolarHBondContact O-N 3.39Å; L96-I133 HydrophobicContact CD1-CD1 4.29Å; Q127-I133 CarbonylContact O-C 3.59Å; Q127-I133 WeakPolarHBondContact O-CA 3.33Å; V128-I133 HydrophobicContact CG1-CG1 4.37Å; V128-I133 HydrophobicContact CG2-CD1 4.26Å; V128-I133 HydrophobicContact CG2-CG1 4.03Å; V128-I133 HydrophobicContact CG2-CG2 4.07Å; I133-Y135 HydrophobicContact CG2-CD2 4.25Å; I133-Y135 HydrophobicContact CG2-CE2 3.62Å
134	V	97.9	Very high	96.4	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130	176.5	176.1	0	0	0	0	109.6	V76 I77 C126 Q127 F132 A136 F432	V76-V134 WeakPolarHBondContact O-CA 3.36Å; I77-V134 HydrophobicContact CB-CG2 4.27Å; I77-V134 HydrophobicContact CD1-CG2 4.02Å; I77-V134 HydrophobicContact CG1-CG2 3.8Å; C126-V134 CarbonylContact C-O 3.2Å; C126-V134 VanDerWaalsContact CA-O 3.28Å; C126-V134 WeakPolarHBondContact CA-O 3.49Å; Q127-V134 PolarHBondContact N-O 3.46Å; Q127-V134 PolarHBondContact O-N 2.89Å; F132-V134 HydrophobicContact CD2-CG2 3.75Å; F132-V134 HydrophobicContact CE2-CG2 3.85Å; V134-A136 HydrophobicContact CG1-CB 4Å; V134-F432 HydrophobicContact CG1-CE1 3.81Å; V134-F432 HydrophobicContact CG1-CZ 4.03Å
135	Y	98	Very high	96.5	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.5	161.9	-60.9	-86.1	0	0	0	107.5	G75 V76 I78 F101 C126 I133 L151 T154 V155 F230	G75-Y135 CarbonylContact C-O 3.55Å; G75-Y135 WeakPolarHBondContact CA-O 3.09Å; V76-Y135 PolarHBondContact N-O 3.19Å; V76-Y135 PolarHBondContact O-N 3.46Å; I78-Y135 HydrophobicContact CD1-CD2 4.15Å; I78-Y135 HydrophobicContact CD1-CE2 3.89Å; F101-Y135 AromaticContact CE2-CD1 3.97Å; F101-Y135 HydrophobicContact CE2-CD1 3.97Å; F101-Y135 HydrophobicContact CZ-CD1 4.17Å; C126-Y135 HydrophobicContact CB-CD1 3.97Å; C126-Y135 HydrophobicContact CB-CE1 4.08Å; C126-Y135 VanDerWaalsContact SG-CD1 3.57Å; C126-Y135 WeakPolarHBondContact SG-CE1 3.45Å; I133-Y135 HydrophobicContact CG2-CD2 4.25Å; I133-Y135 HydrophobicContact CG2-CE2 3.62Å; Y135-L151 WeakPolarHBondContact O-CD2 3.46Å; Y135-T154 HydrophobicContact CD1-CG2 3.69Å; Y135-T154 HydrophobicContact CE1-CG2 3.93Å; Y135-T154 HydrophobicContact CG-CG2 4.38Å; Y135-V155 HydrophobicContact CD2-CG2 3.73Å; Y135-V155 HydrophobicContact CE2-CG2 4.33Å; Y135-V155 HydrophobicContact CG-CG2 4.1Å; Y135-F230 HydrophobicContact CE2-CE1 4.27Å; Y135-F230 HydrophobicContact CE2-CZ 4.19Å
136	A	97.8	Very high	96.6	Very high	20 Å²	20	33.8 Å²	33.8	17%	0.165	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	147.4	-175.4	0	0	0	0	0	111.7	I74 F124 D125 V134 F432	I74-A136 WeakPolarHBondContact O-CA 3.42Å; F124-A136 CarbonylContact C-O 3.57Å; F124-A136 WeakPolarHBondContact CA-O 3.2Å; D125-A136 PolarHBondContact N-O 3.04Å; D125-A136 PolarHBondContact O-N 3.24Å; V134-A136 HydrophobicContact CG1-CB 4Å; A136-F432 HydrophobicContact CB-CE1 3.9Å; A136-F432 HydrophobicContact CB-CZ 4.37Å
137	V	97.4	Very high	96.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.3	172.1	-58.5	0	0	0	0	109.5	I74 F101 M117 I123 F124 L147 I150 L151	I74-V137 HydrophobicContact CB-CG2 4.09Å; I74-V137 PolarHBondContact N-O 3.14Å; I74-V137 PolarHBondContact O-N 3.29Å; F101-V137 HydrophobicContact CE1-CG1 4.11Å; F101-V137 HydrophobicContact CZ-CG1 4.47Å; M117-V137 HydrophobicContact CE-CB 4.14Å; M117-V137 HydrophobicContact CE-CG1 4.06Å; M117-V137 HydrophobicContact SD-CG1 4.35Å; I123-V137 CarbonylContact O-C 3.37Å; I123-V137 VanDerWaalsContact O-CA 3.27Å; I123-V137 WeakPolarHBondContact O-CA 3.46Å; F124-V137 HydrophobicContact CB-CG1 3.93Å; V137-L147 HydrophobicContact CB-CD2 4.32Å; V137-L147 HydrophobicContact CG2-CB 3.81Å; V137-L147 HydrophobicContact CG2-CD2 4.21Å; V137-L147 HydrophobicContact CG2-CG 4.4Å; V137-I150 HydrophobicContact CG1-CG2 4.32Å; V137-L151 HydrophobicContact CG1-CD2 3.92Å; V137-L151 HydrophobicContact CG1-CG 4.05Å; V137-L151 HydrophobicContact CG2-CD1 3.77Å; V137-L151 HydrophobicContact CG2-CD2 4.41Å; V137-L151 HydrophobicContact CG2-CG 3.92Å
138	S	96.4	Very high	96.7	Very high	30 Å²	30	28.8 Å²	28.8	21%	0.21	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.8	176	-67	0	0	0	0	110.8	C72 A73 S122 I123	C72-S138 VanDerWaalsContact O-CA 3.29Å; C72-S138 WeakPolarHBondContact O-CA 3.33Å; A73-S138 WeakPolarHBondContact CB-OG 3.48Å; S122-S138 CarbonylContact C-O 3.52Å; S122-S138 WeakPolarHBondContact CA-O 3.07Å; S122-S138 WeakPolarHBondContact CB-O 3.35Å; I123-S138 PolarHBondContact N-O 3.33Å; I123-S138 PolarHBondContact O-N 3.46Å
139	G	96.1	Very high	96.7	Very high	3 Å²	3	31 Å²	31	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-163	179.3	0	0	0	0	0	112.2	Q71 C72 S122 N141	Q71-G139 CarbonylContact C-O 3.52Å; Q71-G139 WeakPolarHBondContact CA-O 3.32Å; Q71-G139 VanDerWaalsContact OE1-CA 3.31Å; Q71-G139 PolarHBondContact OE1-O 3.36Å; Q71-G139 VanDerWaalsContact OE1-O 3.12Å; C72-G139 PolarHBondContact N-O 3.42Å; C72-G139 PolarHBondContact O-N 3.33Å; C72-G139 PolarHBondContact SG-O 3.04Å; S122-G139 WeakPolarHBondContact OG-CA 3.41Å; G139-N141 PolarHBondContact O-N 3.49Å
140	F	96.8	Very high	96.8	Very high	76 Å²	76	29.9 Å²	29.9	33%	0.333	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.9	-174.9	-69.7	-82.5	0	0	0	112.5	S70 N121 T142 N143	S70-F140 CarbonylContact O-C 3.56Å; S70-F140 VanDerWaalsContact O-CA 3.29Å; S70-F140 WeakPolarHBondContact O-CA 3.32Å; N121-F140 HydrophobicContact CB-CD2 4.31Å; N121-F140 HydrophobicContact CB-CE2 3.98Å; F140-T142 PolarHBondContact O-N 3.41Å; F140-N143 WeakPolarHBondContact O-CA 3.39Å; F140-N143 WeakPolarHBondContact O-CB 3.37Å; F140-N143 PolarHBondContact O-N 2.76Å
141	N	95.1	Very high	96.9	Very high	56 Å²	56	29 Å²	29	30%	0.299	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-63.4	-23.4	178.6	64.1	5.5	0	0	0	113.1	G69 S70 C72 G139 N143 M144	G69-N141 PolarHBondContact O-ND2 2.84Å; S70-N141 PolarHBondContact O-N 3.01Å; S70-N141 PolarHBondContact O-OD1 3.26Å; C72-N141 HydrophobicContact CB-CB 4.13Å; G139-N141 PolarHBondContact O-N 3.49Å; N141-N143 PolarHBondContact O-N 3.29Å; N141-M144 WeakPolarHBondContact O-CB 3.46Å; N141-M144 PolarHBondContact O-N 2.89Å; N141-M144 VanDerWaalsContact O-N 3.1Å
142	T	95.9	Very high	97	Very high	116 Å²	116	28.3 Å²	28.3	71%	0.712	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-63.6	-22.8	170.8	56.6	0	0	0	0	112.9	F140	F140-T142 PolarHBondContact O-N 3.41Å
143	N	97	Very high	97	Very high	43 Å²	43	28 Å²	28	23%	0.23	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-94.9	6.5	177	-66.9	-26.5	0	0	0	112.6	C120 F140 N141 D145 K146 L147	C120-N143 HydrophobicContact CB-CB 4.44Å; C120-N143 PolarHBondContact O-ND2 3.06Å; F140-N143 WeakPolarHBondContact O-CA 3.39Å; F140-N143 WeakPolarHBondContact O-CB 3.37Å; F140-N143 PolarHBondContact O-N 2.76Å; N141-N143 PolarHBondContact O-N 3.29Å; N143-D145 VanDerWaalsContact C-N 3.28Å; N143-D145 PolarHBondContact O-N 3.13Å; N143-K146 PolarHBondContact O-N 3.39Å; N143-L147 HydrophobicContact CB-CD1 4.28Å; N143-L147 HydrophobicContact CB-CG 4.27Å; N143-L147 WeakPolarHBondContact O-CG 3.31Å; N143-L147 PolarHBondContact O-N 3.37Å
144	M	96.7	Very high	96.9	Very high	20 Å²	20	28.6 Å²	28.6	10%	0.099	15%	0.154	C	C	.	.	H	α-helix	trans	-50.9	-44.6	-174.6	173.7	-85.8	-68.7	0	0	113.4	I74 N141 K146 L147 T148 I242 A246 L247	I74-M144 HydrophobicContact CD1-CB 4.27Å; I74-M144 HydrophobicContact CD1-CG 3.7Å; N141-M144 WeakPolarHBondContact O-CB 3.46Å; N141-M144 PolarHBondContact O-N 2.89Å; N141-M144 VanDerWaalsContact O-N 3.1Å; M144-K146 PolarHBondContact O-N 2.82Å; M144-L147 PolarHBondContact O-N 2.97Å; M144-T148 WeakPolarHBondContact O-CB 3.47Å; M144-T148 PolarHBondContact O-N 3.45Å; M144-T148 PolarHBondContact O-OG1 3.46Å; M144-I242 HydrophobicContact CB-CG2 4.22Å; M144-I242 HydrophobicContact CE-CG2 4.11Å; M144-I242 HydrophobicContact CG-CD1 4.06Å; M144-I242 HydrophobicContact CG-CG2 3.64Å; M144-A246 HydrophobicContact CE-CB 3.61Å; M144-A246 WeakPolarHBondContact CE-O 3.19Å; M144-L247 HydrophobicContact SD-CD1 4.34Å
145	D	97.6	Very high	96.9	Very high	63 Å²	63	28.4 Å²	28.4	34%	0.337	15%	0.153	S	C	.	.	H	α-helix	trans	-63.3	-43.1	-178.6	-171.5	71.9	0	0	0	111.6	N143 T148 H149 S250 K253 Y254	N143-D145 VanDerWaalsContact C-N 3.28Å; N143-D145 PolarHBondContact O-N 3.13Å; D145-T148 PolarHBondContact O-N 2.93Å; D145-H149 PolarHBondContact O-N 3.36Å; D145-S250 WeakPolarHBondContact CA-OG 3.18Å; D145-S250 PolarHBondContact OD1-OG 2.95Å; D145-K253 IonicContact OD2-NZ 3.79Å; D145-Y254 VanDerWaalsContact O-CE2 3.23Å; D145-Y254 WeakPolarHBondContact O-CE2 2.88Å; D145-Y254 VanDerWaalsContact OD1-CE2 3.32Å; D145-Y254 WeakPolarHBondContact OD1-CE2 3.24Å; D145-Y254 PolarHBondContact OD2-OH 3.04Å
146	K	97.1	Very high	96.7	Very high	78 Å²	78	28.1 Å²	28.1	34%	0.339	15%	0.152	S	C	.	.	H	α-helix	trans	-67.8	-39.4	176.9	-176.4	171.8	168.7	-151.7	0	111.7	A116 C120 N143 M144 T148 H149 I150	A116-K146 PolarHBondContact O-NZ 3.26Å; A116-K146 VanDerWaalsContact O-NZ 3.12Å; C120-K146 WeakPolarHBondContact SG-CD 3.31Å; C120-K146 VanDerWaalsContact SG-CE 3.57Å; C120-K146 PolarHBondContact SG-NZ 3.46Å; N143-K146 PolarHBondContact O-N 3.39Å; M144-K146 PolarHBondContact O-N 2.82Å; K146-T148 VanDerWaalsContact C-N 3.35Å; K146-H149 WeakPolarHBondContact O-CB 2.95Å; K146-H149 PolarHBondContact O-N 2.96Å; K146-I150 HydrophobicContact CG-CD1 4.14Å; K146-I150 WeakPolarHBondContact O-CB 3.03Å; K146-I150 VanDerWaalsContact O-CG1 3.27Å; K146-I150 WeakPolarHBondContact O-CG1 3.39Å; K146-I150 PolarHBondContact O-N 3.47Å
147	L	97.6	Very high	96.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-37.4	176.9	-68.9	176	0	0	0	112.2	I74 M117 C120 S122 V137 N143 M144 I150 L151	I74-L147 HydrophobicContact CD1-CB 3.99Å; M117-L147 HydrophobicContact CE-CD2 4.07Å; M117-L147 HydrophobicContact SD-CD2 4.06Å; C120-L147 HydrophobicContact CB-CD2 4.37Å; S122-L147 WeakPolarHBondContact OG-CD2 3.33Å; V137-L147 HydrophobicContact CB-CD2 4.32Å; V137-L147 HydrophobicContact CG2-CB 3.81Å; V137-L147 HydrophobicContact CG2-CD2 4.21Å; V137-L147 HydrophobicContact CG2-CG 4.4Å; N143-L147 HydrophobicContact CB-CD1 4.28Å; N143-L147 HydrophobicContact CB-CG 4.27Å; N143-L147 WeakPolarHBondContact O-CG 3.31Å; N143-L147 PolarHBondContact O-N 3.37Å; M144-L147 PolarHBondContact O-N 2.97Å; L147-I150 WeakPolarHBondContact O-CB 3.27Å; L147-I150 PolarHBondContact O-N 3.2Å; L147-L151 PolarHBondContact O-N 3.37Å
148	T	97.8	Very high	96.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.5	-39.8	174.6	-54.9	0	0	0	0	111.3	M144 D145 K146 L151 S152 S250 V251 Y254 F255	M144-T148 WeakPolarHBondContact O-CB 3.47Å; M144-T148 PolarHBondContact O-N 3.45Å; M144-T148 PolarHBondContact O-OG1 3.46Å; D145-T148 PolarHBondContact O-N 2.93Å; K146-T148 VanDerWaalsContact C-N 3.35Å; T148-L151 PolarHBondContact O-N 3.17Å; T148-S152 PolarHBondContact O-N 3.2Å; T148-S250 WeakPolarHBondContact CB-OG 2.95Å; T148-V251 HydrophobicContact CG2-CG2 3.98Å; T148-Y254 HydrophobicContact CG2-CD2 4.29Å; T148-F255 HydrophobicContact CG2-CE2 4.24Å
149	H	96.9	Very high	96.5	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.245	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-42.6	173.5	-168.5	-167.6	0	0	0	112.5	D145 K146 L151 S152 E153 Y254	D145-H149 PolarHBondContact O-N 3.36Å; K146-H149 WeakPolarHBondContact O-CB 2.95Å; K146-H149 PolarHBondContact O-N 2.96Å; H149-L151 VanDerWaalsContact C-N 3.3Å; H149-L151 PolarHBondContact O-N 3.23Å; H149-S152 PolarHBondContact O-N 3.03Å; H149-S152 PolarHBondContact O-OG 3.4Å; H149-E153 WeakPolarHBondContact O-CG 3.37Å; H149-E153 PolarHBondContact O-N 3.06Å; H149-Y254 HydrophobicContact CB-CD1 3.86Å; H149-Y254 HydrophobicContact CB-CD2 3.83Å; H149-Y254 HydrophobicContact CB-CE1 3.73Å; H149-Y254 HydrophobicContact CB-CE2 3.69Å; H149-Y254 HydrophobicContact CB-CG 3.92Å; H149-Y254 AromaticContact CD2-CD1 3.28Å; H149-Y254 WeakPolarHBondContact CD2-CD1 3.3Å; H149-Y254 AromaticContact CD2-CE1 3.55Å; H149-Y254 AromaticContact CD2-CG 3.94Å; H149-Y254 AromaticContact CE1-CE1 3.91Å; H149-Y254 AromaticContact CG-CD1 3.53Å; H149-Y254 AromaticContact CG-CE1 3.36Å; H149-Y254 AromaticContact CG-CZ 3.77Å; H149-Y254 AromaticContact ND1-CE1 3.61Å; H149-Y254 AromaticContact NE2-CD1 3.83Å; H149-Y254 AromaticContact NE2-CE1 3.87Å
150	I	96.9	Very high	96.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.2	-41.9	176	-80	173.8	0	0	0	111.3	Y107 F113 A116 M117 V137 K146 L147 E153 T154	Y107-I150 HydrophobicContact CE2-CG1 4.29Å; Y107-I150 VanDerWaalsContact OH-CG1 3.27Å; Y107-I150 WeakPolarHBondContact OH-CG1 3.48Å; F113-I150 HydrophobicContact CE1-CG2 3.5Å; F113-I150 HydrophobicContact CE2-CG2 4.27Å; F113-I150 HydrophobicContact CZ-CB 4.26Å; F113-I150 HydrophobicContact CZ-CG2 3.2Å; A116-I150 HydrophobicContact CB-CD1 4.38Å; M117-I150 HydrophobicContact SD-CD1 3.72Å; M117-I150 HydrophobicContact SD-CG2 3.62Å; V137-I150 HydrophobicContact CG1-CG2 4.32Å; K146-I150 HydrophobicContact CG-CD1 4.14Å; K146-I150 WeakPolarHBondContact O-CB 3.03Å; K146-I150 VanDerWaalsContact O-CG1 3.27Å; K146-I150 WeakPolarHBondContact O-CG1 3.39Å; K146-I150 PolarHBondContact O-N 3.47Å; L147-I150 WeakPolarHBondContact O-CB 3.27Å; L147-I150 PolarHBondContact O-N 3.2Å; I150-E153 PolarHBondContact O-N 3.36Å; I150-T154 PolarHBondContact O-N 2.95Å; I150-T154 PolarHBondContact O-OG1 2.6Å
151	L	97.4	Very high	96.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-43	174.5	-77.9	170.7	0	0	0	112.3	I74 V76 F101 Y135 V137 L147 T148 H149 E153 T154 V155 F255	I74-L151 HydrophobicContact CB-CD1 3.94Å; I74-L151 HydrophobicContact CG2-CD1 3.52Å; V76-L151 HydrophobicContact CG2-CB 4.29Å; F101-L151 HydrophobicContact CE1-CD2 4.35Å; Y135-L151 WeakPolarHBondContact O-CD2 3.46Å; V137-L151 HydrophobicContact CG1-CD2 3.92Å; V137-L151 HydrophobicContact CG1-CG 4.05Å; V137-L151 HydrophobicContact CG2-CD1 3.77Å; V137-L151 HydrophobicContact CG2-CD2 4.41Å; V137-L151 HydrophobicContact CG2-CG 3.92Å; L147-L151 PolarHBondContact O-N 3.37Å; T148-L151 PolarHBondContact O-N 3.17Å; H149-L151 VanDerWaalsContact C-N 3.3Å; H149-L151 PolarHBondContact O-N 3.23Å; L151-E153 VanDerWaalsContact C-N 3.28Å; L151-E153 PolarHBondContact O-N 3.46Å; L151-T154 PolarHBondContact O-N 2.99Å; L151-V155 WeakPolarHBondContact O-CG2 3.42Å; L151-V155 PolarHBondContact O-N 2.84Å; L151-F255 HydrophobicContact CB-CZ 4.38Å
152	S	96.8	Very high	96.6	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-36.8	178.1	69.4	0	0	0	0	111.9	T148 H149 T154 V155 L156 Y254	T148-S152 PolarHBondContact O-N 3.2Å; H149-S152 PolarHBondContact O-N 3.03Å; H149-S152 PolarHBondContact O-OG 3.4Å; S152-T154 VanDerWaalsContact C-N 3.35Å; S152-V155 PolarHBondContact O-N 2.89Å; S152-L156 WeakPolarHBondContact O-CA 3.22Å; S152-L156 WeakPolarHBondContact O-CB 3.28Å; S152-L156 PolarHBondContact O-N 3.19Å; S152-Y254 WeakPolarHBondContact OG-CB 3.37Å
153	E	96.5	Very high	96.6	Very high	13 Å²	13	33.2 Å²	33.2	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-43.9	176.2	-77.4	-61.3	111.4	0	0	111.7	S104 D105 L106 Y107 H149 I150 L151 R157 A158	S104-E153 VanDerWaalsContact CB-OE2 3.25Å; S104-E153 WeakPolarHBondContact CB-OE2 3.45Å; S104-E153 PolarHBondContact OG-OE2 3.39Å; D105-E153 PolarHBondContact N-OE2 3.01Å; L106-E153 HydrophobicContact CB-CG 3.94Å; L106-E153 WeakPolarHBondContact CB-OE2 3.42Å; L106-E153 HydrophobicContact CD2-CG 4.26Å; L106-E153 PolarHBondContact N-OE2 3.04Å; Y107-E153 HydrophobicContact CD2-CB 4.23Å; Y107-E153 HydrophobicContact CD2-CG 4.4Å; Y107-E153 HydrophobicContact CE2-CB 4.15Å; Y107-E153 HydrophobicContact CE2-CG 4.12Å; H149-E153 WeakPolarHBondContact O-CG 3.37Å; H149-E153 PolarHBondContact O-N 3.06Å; I150-E153 PolarHBondContact O-N 3.36Å; L151-E153 VanDerWaalsContact C-N 3.28Å; L151-E153 PolarHBondContact O-N 3.46Å; E153-R157 CarbonylContact O-C 3.53Å; E153-R157 WeakPolarHBondContact O-CA 3.4Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 WeakPolarHBondContact OE1-CG 3.14Å; E153-A158 PolarHBondContact O-N 3.46Å
154	T	95.8	Very high	96.6	Very high	12 Å²	12	32 Å²	32	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-68.3	-42.1	179.5	-57.9	0	0	0	0	112.3	F101 F113 Y135 I150 L151 S152	F101-T154 HydrophobicContact CD1-CG2 3.88Å; F101-T154 VanDerWaalsContact CD1-OG1 3.24Å; F101-T154 WeakPolarHBondContact CD1-OG1 2.95Å; F101-T154 HydrophobicContact CE1-CG2 4.19Å; F101-T154 HydrophobicContact CG-CG2 4.16Å; F113-T154 WeakPolarHBondContact CE2-OG1 3.2Å; F113-T154 WeakPolarHBondContact CZ-OG1 3.24Å; Y135-T154 HydrophobicContact CD1-CG2 3.69Å; Y135-T154 HydrophobicContact CE1-CG2 3.93Å; Y135-T154 HydrophobicContact CG-CG2 4.38Å; I150-T154 PolarHBondContact O-N 2.95Å; I150-T154 PolarHBondContact O-OG1 2.6Å; L151-T154 PolarHBondContact O-N 2.99Å; S152-T154 VanDerWaalsContact C-N 3.35Å
155	V	96.3	Very high	96.7	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	15%	0.153	C	C	.	.	H	α-helix	trans	-84.9	-38	-173.1	176.3	0	0	0	0	112.5	V76 I78 Y135 L151 S152 F230 M235	V76-V155 HydrophobicContact CB-CG2 4.05Å; V76-V155 HydrophobicContact CG1-CG1 4.4Å; V76-V155 HydrophobicContact CG1-CG2 4.34Å; V76-V155 HydrophobicContact CG2-CG2 4.02Å; I78-V155 HydrophobicContact CD1-CG1 3.88Å; Y135-V155 HydrophobicContact CD2-CG2 3.73Å; Y135-V155 HydrophobicContact CE2-CG2 4.33Å; Y135-V155 HydrophobicContact CG-CG2 4.1Å; L151-V155 WeakPolarHBondContact O-CG2 3.42Å; L151-V155 PolarHBondContact O-N 2.84Å; S152-V155 PolarHBondContact O-N 2.89Å; V155-F230 HydrophobicContact CG1-CD1 4.15Å; V155-M235 HydrophobicContact CG1-SD 3.82Å
156	L	95.7	Very high	96.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-112.4	-18.9	-171.2	-57.9	-177.6	0	0	0	114.3	S152 M235 F255 T258 P260 N261	S152-L156 WeakPolarHBondContact O-CA 3.22Å; S152-L156 WeakPolarHBondContact O-CB 3.28Å; S152-L156 PolarHBondContact O-N 3.19Å; L156-M235 HydrophobicContact CD2-CE 4.22Å; L156-F255 HydrophobicContact CD1-CB 4.13Å; L156-F255 HydrophobicContact CD1-CD1 3.65Å; L156-F255 HydrophobicContact CD1-CE1 4.32Å; L156-F255 HydrophobicContact CD1-CG 4.11Å; L156-F255 HydrophobicContact CG-CD1 4.18Å; L156-F255 HydrophobicContact CG-CE1 4.41Å; L156-T258 VanDerWaalsContact CD2-O 3.31Å; L156-T258 WeakPolarHBondContact CD2-O 3.34Å; L156-P260 HydrophobicContact CD2-CG 4.07Å; L156-P260 CarbonylContact O-C 3.52Å; L156-P260 VanDerWaalsContact O-CA 3.22Å; L156-P260 WeakPolarHBondContact O-CA 3.45Å; L156-N261 PolarHBondContact O-N 3.38Å; L156-N261 PolarHBondContact O-OD1 2.97Å
157	R	95.9	Very high	96.7	Very high	46 Å²	46	34.9 Å²	34.9	17%	0.174	17%	0.17	C	C	.	.			trans	-124.7	21.2	-172.8	-54.1	-62.2	-164	-101.5	-14	113.3	S104 D105 E153 K159 P257 V259 N261	S104-R157 CarbonylContact C-O 3.44Å; S104-R157 WeakPolarHBondContact CA-O 3.32Å; S104-R157 VanDerWaalsContact CB-O 3.31Å; S104-R157 WeakPolarHBondContact CB-O 3.23Å; D105-R157 HydrophobicContact CB-CB 4.11Å; D105-R157 PolarHBondContact N-O 3.29Å; D105-R157 VanDerWaalsContact N-O 3.1Å; D105-R157 WeakPolarHBondContact OD2-CD 3.49Å; E153-R157 CarbonylContact O-C 3.53Å; E153-R157 WeakPolarHBondContact O-CA 3.4Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 WeakPolarHBondContact OE1-CG 3.14Å; R157-K159 PolarHBondContact O-N 3.13Å; R157-P257 PolarHBondContact NH1-O 3.25Å; R157-P257 VanDerWaalsContact NH1-O 3.1Å; R157-V259 PolarHBondContact NH1-O 3.01Å; R157-N261 WeakPolarHBondContact CA-ND2 3.26Å; R157-N261 PolarHBondContact O-ND2 3.5Å; R157-N261 VanDerWaalsContact O-ND2 3.13Å
158	A	95.8	Very high	96.6	Very high	24 Å²	24	35.1 Å²	35.1	20%	0.198	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-61.8	133.6	176.2	0	0	0	0	0	110.8	E153 I160 N261 V262	E153-A158 PolarHBondContact O-N 3.46Å; A158-I160 HydrophobicContact CB-CG1 4Å; A158-N261 PolarHBondContact O-ND2 3.1Å; A158-N261 PolarHBondContact O-OD1 3.49Å; A158-V262 WeakPolarHBondContact O-CG1 3.32Å
159	K	95.3	Very high	96.6	Very high	81 Å²	81	36 Å²	36	35%	0.352	18%	0.18	S	C	.	.			trans	-84.4	-29.1	177.3	-75	172.7	174	151.6	0	112.9	S103 S104 R157 T161 R219	S103-K159 PolarHBondContact O-N 3.12Å; S104-K159 WeakPolarHBondContact O-CD 3.27Å; S104-K159 WeakPolarHBondContact O-CE 3.49Å; S104-K159 PolarHBondContact O-NZ 2.87Å; R157-K159 PolarHBondContact O-N 3.13Å; K159-T161 HydrophobicContact CB-CG2 4.49Å; K159-R219 PolarHBondContact O-NH2 3.01Å
160	I	96.3	Very high	96.6	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.036	20%	0.199	C	C	.	.			trans	46.3	75.9	-177.8	-51.1	-179	0	0	0	110.2	L99 A158 E164 V165 R219 I222 V226 V262	L99-I160 HydrophobicContact CD1-CG2 3.99Å; A158-I160 HydrophobicContact CB-CG1 4Å; I160-E164 WeakPolarHBondContact CA-OE2 3.46Å; I160-V165 HydrophobicContact CG2-CG2 3.79Å; I160-R219 HydrophobicContact CG2-CG 4.31Å; I160-R219 WeakPolarHBondContact O-CD 3.46Å; I160-R219 PolarHBondContact O-NE 3.42Å; I160-R219 PolarHBondContact O-NH2 3.2Å; I160-I222 HydrophobicContact CD1-CG2 3.88Å; I160-I222 HydrophobicContact CG2-CG2 4.33Å; I160-V226 HydrophobicContact CD1-CG2 4.41Å; I160-V262 HydrophobicContact CD1-CG1 4.21Å
161	T	96.3	Very high	96.6	Very high	42 Å²	42	43.4 Å²	43.4	26%	0.258	22%	0.219	S	C	.	.			trans	-77.4	161.5	-178.2	87.3	0	0	0	0	112.1	K159 E163 E164 V165	K159-T161 HydrophobicContact CB-CG2 4.49Å; T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 VanDerWaalsContact CB-OE2 3.25Å; T161-E163 WeakPolarHBondContact CB-OE2 3.47Å; T161-E163 PolarHBondContact O-N 3.44Å; T161-E163 PolarHBondContact OG1-N 3.1Å; T161-E163 PolarHBondContact OG1-OE2 2.59Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 2.71Å; T161-E164 WeakPolarHBondContact OG1-CG 3.44Å; T161-E164 PolarHBondContact OG1-N 3.36Å; T161-V165 WeakPolarHBondContact O-CG2 3.47Å; T161-V165 PolarHBondContact O-N 3.47Å
162	Q	96.9	Very high	96.6	Very high	81 Å²	81	43.4 Å²	43.4	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-61.3	-38.6	176.8	-178.1	56.6	38.9	0	0	111.2	E164 V165 E166	Q162-E164 VanDerWaalsContact C-N 3.35Å; Q162-E164 PolarHBondContact O-N 3.04Å; Q162-V165 PolarHBondContact O-N 3.42Å; Q162-E166 PolarHBondContact NE2-OE1 3.05Å; Q162-E166 WeakPolarHBondContact O-CG 3.07Å; Q162-E166 PolarHBondContact O-N 3.15Å
163	E	96.8	Very high	96.7	Very high	127 Å²	127	45.1 Å²	45.1	59%	0.593	23%	0.231	S	C	*	.	H	α-helix	trans	-64.3	-38.7	176.9	-57.5	75.5	-164.8	0	0	111.9	T161 E166 M167	T161-E163 VanDerWaalsContact C-N 3.25Å; T161-E163 VanDerWaalsContact CB-OE2 3.25Å; T161-E163 WeakPolarHBondContact CB-OE2 3.47Å; T161-E163 PolarHBondContact O-N 3.44Å; T161-E163 PolarHBondContact OG1-N 3.1Å; T161-E163 PolarHBondContact OG1-OE2 2.59Å; E163-E166 PolarHBondContact O-N 3.48Å; E163-M167 WeakPolarHBondContact O-CB 3.46Å; E163-M167 PolarHBondContact O-N 3.31Å
164	E	97.2	Very high	96.7	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-40.1	175.6	-70	176.8	151.4	0	0	111.7	L99 H102 S103 I160 T161 Q162 E166 M167 A168	L99-E164 HydrophobicContact CD2-CB 3.76Å; H102-E164 WeakPolarHBondContact CB-OE1 3.38Å; H102-E164 IonicContact CD2-OE1 3.89Å; S103-E164 WeakPolarHBondContact CB-OE1 3.46Å; S103-E164 PolarHBondContact N-OE1 3.37Å; S103-E164 PolarHBondContact OG-OE1 3.05Å; S103-E164 PolarHBondContact OG-OE2 2.88Å; I160-E164 WeakPolarHBondContact CA-OE2 3.46Å; T161-E164 PolarHBondContact N-OE2 3.2Å; T161-E164 PolarHBondContact O-N 2.71Å; T161-E164 WeakPolarHBondContact OG1-CG 3.44Å; T161-E164 PolarHBondContact OG1-N 3.36Å; Q162-E164 VanDerWaalsContact C-N 3.35Å; Q162-E164 PolarHBondContact O-N 3.04Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E164-M167 PolarHBondContact O-N 3.26Å; E164-A168 WeakPolarHBondContact O-CB 3.41Å; E164-A168 PolarHBondContact O-N 2.84Å
165	V	97.6	Very high	96.7	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-42.3	175.5	175.8	0	0	0	0	110.9	Y95 L99 I160 T161 Q162 M167 A168 A169 R219 I222	Y95-V165 HydrophobicContact CD1-CG1 4.34Å; Y95-V165 HydrophobicContact CE1-CG1 4.16Å; L99-V165 HydrophobicContact CD1-CG2 4.4Å; I160-V165 HydrophobicContact CG2-CG2 3.79Å; T161-V165 WeakPolarHBondContact O-CG2 3.47Å; T161-V165 PolarHBondContact O-N 3.47Å; Q162-V165 PolarHBondContact O-N 3.42Å; V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 3.04Å; V165-A168 PolarHBondContact O-N 3.41Å; V165-A169 PolarHBondContact O-N 2.96Å; V165-R219 HydrophobicContact CG2-CB 4.2Å; V165-I222 HydrophobicContact CG1-CD1 4Å; V165-I222 HydrophobicContact CG2-CD1 3.8Å
166	E	97.3	Very high	96.6	Very high	96 Å²	96	53.5 Å²	53.5	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-64.8	-36.5	175.2	-71.7	172.5	-162.5	0	0	112.6	Q162 E163 E164 A169 K170	Q162-E166 PolarHBondContact NE2-OE1 3.05Å; Q162-E166 WeakPolarHBondContact O-CG 3.07Å; Q162-E166 PolarHBondContact O-N 3.15Å; E163-E166 PolarHBondContact O-N 3.48Å; E164-E166 VanDerWaalsContact C-N 3.35Å; E166-A169 PolarHBondContact O-N 3.21Å; E166-K170 WeakPolarHBondContact O-CG 3.39Å; E166-K170 PolarHBondContact O-N 2.8Å
167	M	96.5	Very high	96.6	Very high	120 Å²	120	57.7 Å²	57.7	59%	0.591	29%	0.287	S	S	*	.	H	α-helix	trans	-68.4	-41.9	174.9	-167.3	176.6	-59.4	0	0	111.6	E163 E164 V165 A169 K170 S171	E163-M167 WeakPolarHBondContact O-CB 3.46Å; E163-M167 PolarHBondContact O-N 3.31Å; E164-M167 PolarHBondContact O-N 3.26Å; V165-M167 VanDerWaalsContact C-N 3.33Å; V165-M167 PolarHBondContact O-N 3.04Å; M167-A169 VanDerWaalsContact C-N 3.35Å; M167-A169 PolarHBondContact O-N 3.09Å; M167-K170 PolarHBondContact O-N 2.62Å; M167-S171 PolarHBondContact O-N 3.14Å
168	A	97	Very high	96.4	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	30%	0.295	C	S	.	.	H	α-helix	trans	-59.9	-44.5	173.6	0	0	0	0	0	111.1	Y95 K98 L99 E164 V165 K170 S171 I172	Y95-A168 HydrophobicContact CD1-CB 3.87Å; Y95-A168 HydrophobicContact CE1-CB 4.22Å; K98-A168 HydrophobicContact CB-CB 3.97Å; L99-A168 HydrophobicContact CD2-CB 4.15Å; L99-A168 HydrophobicContact CG-CB 4.18Å; E164-A168 WeakPolarHBondContact O-CB 3.41Å; E164-A168 PolarHBondContact O-N 2.84Å; V165-A168 PolarHBondContact O-N 3.41Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 3.44Å; A168-S171 WeakPolarHBondContact O-CB 3.44Å; A168-S171 PolarHBondContact O-N 2.82Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.45Å; A168-I172 PolarHBondContact O-N 3.48Å
169	A	97.5	Very high	96.1	Very high	20 Å²	20	57.6 Å²	57.6	17%	0.165	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-44.8	176.2	0	0	0	0	0	112.3	Y95 V165 E166 M167 S173	Y95-A169 HydrophobicContact CE1-CB 3.87Å; Y95-A169 WeakPolarHBondContact OH-CA 3.48Å; Y95-A169 WeakPolarHBondContact OH-CB 3.14Å; V165-A169 PolarHBondContact O-N 2.96Å; E166-A169 PolarHBondContact O-N 3.21Å; M167-A169 VanDerWaalsContact C-N 3.35Å; M167-A169 PolarHBondContact O-N 3.09Å; A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 2.69Å
170	K	97.3	Very high	95.8	Very high	149 Å²	149	57.1 Å²	57.1	65%	0.648	29%	0.291	S	S	*	.	H	α-helix	trans	-64.5	-44.1	176.5	-70.5	171	-173.5	169	0	112	E166 M167 A168 S173 F174	E166-K170 WeakPolarHBondContact O-CG 3.39Å; E166-K170 PolarHBondContact O-N 2.8Å; M167-K170 PolarHBondContact O-N 2.62Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 3.44Å; K170-S173 PolarHBondContact O-N 2.91Å; K170-F174 PolarHBondContact O-N 3.05Å
171	S	96.9	Very high	95.4	Very high	59 Å²	59	65 Å²	65	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-46.4	177.6	-172.6	0	0	0	0	111.4	M167 A168 F174 E175	M167-S171 PolarHBondContact O-N 3.14Å; A168-S171 WeakPolarHBondContact O-CB 3.44Å; A168-S171 PolarHBondContact O-N 2.82Å; S171-F174 PolarHBondContact O-N 3.33Å; S171-E175 PolarHBondContact O-N 2.82Å
172	I	97.8	Very high	95	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-43.3	176.3	-65.9	168.1	0	0	0	110.7	Y95 K98 A168 F174 E175 L176 C209 L214	Y95-I172 HydrophobicContact CD1-CD1 4.13Å; Y95-I172 HydrophobicContact CD2-CD1 3.52Å; Y95-I172 HydrophobicContact CE1-CD1 4.29Å; Y95-I172 HydrophobicContact CE2-CD1 3.72Å; Y95-I172 HydrophobicContact CG-CD1 3.76Å; K98-I172 HydrophobicContact CG-CD1 4.13Å; K98-I172 HydrophobicContact CG-CG1 3.69Å; A168-I172 VanDerWaalsContact O-CG1 3.27Å; A168-I172 WeakPolarHBondContact O-CG1 3.45Å; A168-I172 PolarHBondContact O-N 3.48Å; I172-F174 VanDerWaalsContact C-N 3.3Å; I172-F174 PolarHBondContact O-N 3.39Å; I172-E175 PolarHBondContact O-N 3.39Å; I172-L176 HydrophobicContact CG2-CD1 3.9Å; I172-L176 HydrophobicContact CG2-CG 4.17Å; I172-L176 VanDerWaalsContact O-CG 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 2.81Å; I172-C209 HydrophobicContact CG2-CB 4.01Å; I172-L214 HydrophobicContact CB-CD2 4.09Å; I172-L214 HydrophobicContact CG2-CD2 3.59Å
173	S	97.6	Very high	94.7	Very high	39 Å²	39	63.5 Å²	63.5	27%	0.273	32%	0.32	S	S	.	.	H	α-helix	trans	-57.2	-45.6	176.7	-169.1	0	0	0	0	111.5	A169 K170 L176 E177	A169-S173 WeakPolarHBondContact O-CB 3.43Å; A169-S173 PolarHBondContact O-N 2.69Å; K170-S173 PolarHBondContact O-N 2.91Å; S173-L176 PolarHBondContact O-N 2.9Å; S173-E177 WeakPolarHBondContact O-CG 2.97Å; S173-E177 PolarHBondContact O-N 3.13Å
174	F	97	Very high	94.3	Very high	139 Å²	139	60 Å²	60	61%	0.61	31%	0.308	S	S	*	.	H	α-helix	trans	-63.2	-41.8	177.1	-179.8	-96.5	0	0	0	112.2	K170 S171 I172 E177 A178	K170-F174 PolarHBondContact O-N 3.05Å; S171-F174 PolarHBondContact O-N 3.33Å; I172-F174 VanDerWaalsContact C-N 3.3Å; I172-F174 PolarHBondContact O-N 3.39Å; F174-E177 PolarHBondContact O-N 2.82Å; F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 2.87Å
175	E	95.6	Very high	94	Very high	48 Å²	48	60.6 Å²	60.6	22%	0.224	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-44.2	175.9	-179.4	175.4	-177	0	0	112	H94 K98 S171 I172 E177 A178 L179	H94-E175 IonicContact CE1-OE2 2.62Å; H94-E175 IonicContact NE2-OE1 3.43Å; H94-E175 IonicContact NE2-OE2 3.87Å; H94-E175 PolarHBondContact NE2-OE2 3.25Å; K98-E175 WeakPolarHBondContact CE-OE2 3.46Å; K98-E175 IonicContact NZ-OE1 2.98Å; K98-E175 IonicContact NZ-OE2 3.98Å; K98-E175 PolarHBondContact NZ-OE2 2.85Å; S171-E175 PolarHBondContact O-N 2.82Å; I172-E175 PolarHBondContact O-N 3.39Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 2.92Å; E175-A178 WeakPolarHBondContact O-CB 3.24Å; E175-A178 PolarHBondContact O-N 3.29Å; E175-A178 VanDerWaalsContact O-N 3.13Å; E175-L179 HydrophobicContact CG-CD1 4.22Å; E175-L179 HydrophobicContact CG-CG 4.46Å; E175-L179 WeakPolarHBondContact O-CG 3.24Å; E175-L179 PolarHBondContact O-N 2.9Å
176	L	95	Very high	93.7	Very high	17 Å²	17	65.7 Å²	65.7	9%	0.089	34%	0.337	C	S	.	.	H	α-helix	trans	-63	-40.2	176.9	-67.5	172.9	0	0	0	111.6	I172 S173 A178 L179 E180 C209 K211 L214	I172-L176 HydrophobicContact CG2-CD1 3.9Å; I172-L176 HydrophobicContact CG2-CG 4.17Å; I172-L176 VanDerWaalsContact O-CG 3.27Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 2.81Å; S173-L176 PolarHBondContact O-N 2.9Å; L176-A178 VanDerWaalsContact C-N 3.33Å; L176-L179 HydrophobicContact CD2-CD1 4.47Å; L176-L179 PolarHBondContact O-N 2.74Å; L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 WeakPolarHBondContact O-CG 3.31Å; L176-E180 PolarHBondContact O-N 3.11Å; L176-C209 WeakPolarHBondContact CD1-O 3.05Å; L176-K211 HydrophobicContact CD1-CG 3.99Å; L176-L214 HydrophobicContact CD1-CD1 4.16Å; L176-L214 HydrophobicContact CD1-CD2 4.32Å; L176-L214 HydrophobicContact CD1-CG 4.48Å
177	E	94.4	Very high	93.6	Very high	88 Å²	88	63.7 Å²	63.7	41%	0.411	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-37.5	172.8	-74.1	174.4	-155.6	0	0	112.2	S173 F174 E175 E180 R181	S173-E177 WeakPolarHBondContact O-CG 2.97Å; S173-E177 PolarHBondContact O-N 3.13Å; F174-E177 PolarHBondContact O-N 2.82Å; E175-E177 VanDerWaalsContact C-N 3.33Å; E175-E177 PolarHBondContact O-N 2.92Å; E177-E180 PolarHBondContact O-N 2.85Å; E177-R181 WeakPolarHBondContact O-CB 3.23Å; E177-R181 PolarHBondContact O-N 3.42Å
178	A	92	Very high	93.5	Very high	42 Å²	42	59.1 Å²	59.1	35%	0.347	31%	0.31	S	S	.	.	H	α-helix	trans	-68.2	-43.4	175.9	0	0	0	0	0	111.8	F174 E175 L176 E180 R181 S182	F174-A178 WeakPolarHBondContact O-CB 3.44Å; F174-A178 PolarHBondContact O-N 2.87Å; E175-A178 WeakPolarHBondContact O-CB 3.24Å; E175-A178 PolarHBondContact O-N 3.29Å; E175-A178 VanDerWaalsContact O-N 3.13Å; L176-A178 VanDerWaalsContact C-N 3.33Å; A178-E180 PolarHBondContact O-N 3.45Å; A178-R181 CarbonylContact O-C 3.59Å; A178-R181 PolarHBondContact O-N 3.18Å; A178-R181 VanDerWaalsContact O-N 3.14Å; A178-S182 PolarHBondContact O-N 2.84Å
179	L	90.4	Very high	93.4	Very high	27 Å²	27	58.9 Å²	58.9	14%	0.141	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-35.2	173.2	-72.8	171.8	0	0	0	111.5	E175 L176 P183 P184 Y208	E175-L179 HydrophobicContact CG-CD1 4.22Å; E175-L179 HydrophobicContact CG-CG 4.46Å; E175-L179 WeakPolarHBondContact O-CG 3.24Å; E175-L179 PolarHBondContact O-N 2.9Å; L176-L179 HydrophobicContact CD2-CD1 4.47Å; L176-L179 PolarHBondContact O-N 2.74Å; L179-P183 WeakPolarHBondContact O-CA 3.45Å; L179-P183 VanDerWaalsContact O-CB 3.28Å; L179-P183 WeakPolarHBondContact O-CB 3.35Å; L179-P183 VanDerWaalsContact O-N 3.14Å; L179-P184 HydrophobicContact CD2-CG 3.83Å; L179-Y208 HydrophobicContact CD1-CD1 3.76Å; L179-Y208 HydrophobicContact CD1-CE1 3.61Å; L179-Y208 HydrophobicContact CD1-CE2 4.45Å; L179-Y208 HydrophobicContact CD1-CG 4.24Å
180	E	88.7	Confident	93.4	Very high	71 Å²	71	59.2 Å²	59.2	33%	0.332	31%	0.307	S	S	.	.	H	α-helix	trans	-70.1	-44.9	171.3	-77.8	179.5	172.9	0	0	112	L176 E177 A178 S182 K211 R290 Y295	L176-E180 WeakPolarHBondContact O-CB 3.36Å; L176-E180 WeakPolarHBondContact O-CG 3.31Å; L176-E180 PolarHBondContact O-N 3.11Å; E177-E180 PolarHBondContact O-N 2.85Å; A178-E180 PolarHBondContact O-N 3.45Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.05Å; E180-K211 WeakPolarHBondContact OE1-CE 3.47Å; E180-K211 IonicContact OE1-NZ 2.76Å; E180-K211 PolarHBondContact OE1-NZ 2.89Å; E180-K211 IonicContact OE2-NZ 3.69Å; E180-K211 PolarHBondContact OE2-NZ 3.08Å; E180-R290 VanDerWaalsContact CA-NH2 3.26Å; E180-R290 VanDerWaalsContact CB-NH2 3.31Å; E180-R290 PolarHBondContact O-NE 3.02Å; E180-R290 PolarHBondContact O-NH2 2.95Å; E180-Y295 PolarHBondContact O-OH 2.77Å; E180-Y295 VanDerWaalsContact O-OH 3.09Å
181	R	87.4	Confident	93.3	Very high	173 Å²	173	53.1 Å²	53.1	65%	0.653	28%	0.281	S	S	*	.	H	α-helix	trans	-70.3	-24.8	-179	-170.3	-176.2	-63.6	153.5	4.2	113.2	E177 A178 Y295	E177-R181 WeakPolarHBondContact O-CB 3.23Å; E177-R181 PolarHBondContact O-N 3.42Å; A178-R181 CarbonylContact O-C 3.59Å; A178-R181 PolarHBondContact O-N 3.18Å; A178-R181 VanDerWaalsContact O-N 3.14Å; R181-Y295 VanDerWaalsContact C-CE1 3.5Å; R181-Y295 WeakPolarHBondContact O-CD1 3.41Å; R181-Y295 WeakPolarHBondContact O-CE1 3.29Å
182	S	88.3	Confident	93.3	Very high	81 Å²	81	50.9 Å²	50.9	57%	0.566	26%	0.264	S	S	*	.	S	Bend	trans	-153.1	75.2	179.9	-178.9	0	0	0	0	109.2	A178 E180 P184	A178-S182 PolarHBondContact O-N 2.84Å; E180-S182 VanDerWaalsContact C-N 3.3Å; E180-S182 PolarHBondContact O-N 3.05Å; S182-P184 VanDerWaalsContact O-CD 3.28Å; S182-P184 WeakPolarHBondContact O-CD 3.07Å
183	P	89.5	Confident	93.3	Very high	10 Å²	10	51 Å²	51	7%	0.065	26%	0.264	C	S	.	.			trans	-66.4	118.4	-173.2	24.1	-31.6	0	0	0	110.7	L179 V185 I188 L292 Y295 F481	L179-P183 WeakPolarHBondContact O-CA 3.45Å; L179-P183 VanDerWaalsContact O-CB 3.28Å; L179-P183 WeakPolarHBondContact O-CB 3.35Å; L179-P183 VanDerWaalsContact O-N 3.14Å; P183-V185 PolarHBondContact O-N 3.47Å; P183-I188 HydrophobicContact CB-CG1 4.07Å; P183-L292 HydrophobicContact CG-CD2 3.85Å; P183-Y295 HydrophobicContact CG-CD2 4.31Å; P183-Y295 HydrophobicContact CG-CE2 4.32Å; P183-F481 HydrophobicContact CB-CE1 4.16Å; P183-F481 HydrophobicContact CB-CZ 3.68Å; P183-F481 HydrophobicContact CG-CE1 4.25Å; P183-F481 HydrophobicContact CG-CZ 3.69Å
184	P	90	Very high	93.3	Very high	52 Å²	52	49.1 Å²	49.1	34%	0.338	25%	0.251	S	S	.	.			trans	-69.4	117.6	170.7	30.8	-33.6	0	0	0	108.2	L179 S182 E186 P187 I188	L179-P184 HydrophobicContact CD2-CG 3.83Å; S182-P184 VanDerWaalsContact O-CD 3.28Å; S182-P184 WeakPolarHBondContact O-CD 3.07Å; P184-E186 PolarHBondContact O-N 3.4Å; P184-P187 HydrophobicContact CB-CG 3.98Å; P184-P187 HydrophobicContact CG-CB 4.18Å; P184-P187 HydrophobicContact CG-CG 3.91Å; P184-P187 WeakPolarHBondContact O-CD 3.48Å; P184-I188 VanDerWaalsContact O-CG1 3.28Å; P184-I188 WeakPolarHBondContact O-CG1 3.46Å; P184-I188 PolarHBondContact O-N 3.01Å
185	V	90.7	Very high	93.2	Very high	32 Å²	32	43.9 Å²	43.9	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-56.5	-50.4	-170.2	174.8	0	0	0	0	111.9	P183 I188 M189 H304	P183-V185 PolarHBondContact O-N 3.47Å; V185-I188 PolarHBondContact O-N 3.27Å; V185-M189 HydrophobicContact CG1-CG 3.98Å; V185-M189 WeakPolarHBondContact O-CB 3.28Å; V185-M189 VanDerWaalsContact O-CG 3.23Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 3.03Å; V185-H304 HydrophobicContact CG1-CB 4.33Å; V185-H304 VanDerWaalsContact CG1-ND1 3.33Å; V185-H304 WeakPolarHBondContact CG1-ND1 3.28Å; V185-H304 VanDerWaalsContact CG2-CE1 3.47Å; V185-H304 WeakPolarHBondContact CG2-CE1 3.36Å; V185-H304 WeakPolarHBondContact CG2-NE2 3.5Å
186	E	91.5	Very high	93.3	Very high	111 Å²	111	41.9 Å²	41.9	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-61.2	-54.7	-175.2	-72.3	178.6	176.3	0	0	112.9	P184 I188 M189 N190 Q363	P184-E186 PolarHBondContact O-N 3.4Å; E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 2.9Å; E186-M189 PolarHBondContact O-N 3.4Å; E186-N190 WeakPolarHBondContact O-CB 3.47Å; E186-N190 PolarHBondContact O-N 3.31Å; E186-Q363 PolarHBondContact OE1-NE2 2.88Å; E186-Q363 PolarHBondContact OE1-OE1 3.1Å
187	P	93.5	Very high	93.4	Very high	55 Å²	55	41.1 Å²	41.1	36%	0.357	22%	0.219	S	C	.	.	H	α-helix	trans	-55.9	-40.9	174.7	-26.9	33.4	0	0	0	114.1	P184 N190 E191	P184-P187 HydrophobicContact CB-CG 3.98Å; P184-P187 HydrophobicContact CG-CB 4.18Å; P184-P187 HydrophobicContact CG-CG 3.91Å; P184-P187 WeakPolarHBondContact O-CD 3.48Å; P187-N190 PolarHBondContact O-N 3.05Å; P187-E191 WeakPolarHBondContact O-CB 3.34Å; P187-E191 PolarHBondContact O-N 2.87Å
188	I	94.7	Very high	93.5	Very high	24 Å²	24	37 Å²	37	12%	0.123	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-46.1	179.7	-66.1	-64.6	0	0	0	110.8	P183 P184 V185 E186 N190 E191 L192 F481	P183-I188 HydrophobicContact CB-CG1 4.07Å; P184-I188 VanDerWaalsContact O-CG1 3.28Å; P184-I188 WeakPolarHBondContact O-CG1 3.46Å; P184-I188 PolarHBondContact O-N 3.01Å; V185-I188 PolarHBondContact O-N 3.27Å; E186-I188 VanDerWaalsContact C-N 3.31Å; E186-I188 PolarHBondContact O-N 2.9Å; I188-N190 VanDerWaalsContact C-N 3.27Å; I188-N190 PolarHBondContact O-N 3.32Å; I188-E191 WeakPolarHBondContact O-CB 3.46Å; I188-E191 PolarHBondContact O-N 3.29Å; I188-L192 HydrophobicContact CG2-CD1 4.12Å; I188-L192 HydrophobicContact CG2-CG 4.29Å; I188-L192 VanDerWaalsContact O-CG 3.29Å; I188-L192 WeakPolarHBondContact O-CG 2.81Å; I188-L192 PolarHBondContact O-N 3.13Å; I188-F481 HydrophobicContact CB-CE1 4.44Å; I188-F481 HydrophobicContact CG2-CD1 4.02Å; I188-F481 HydrophobicContact CG2-CD2 4.15Å; I188-F481 HydrophobicContact CG2-CE1 3.97Å; I188-F481 HydrophobicContact CG2-CE2 4.09Å; I188-F481 HydrophobicContact CG2-CG 4.13Å; I188-F481 HydrophobicContact CG2-CZ 4Å
189	M	96.6	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.1	-41.9	177.3	-72.4	-58.1	-64.5	0	0	111.3	V185 E186 E191 L192 L193 H304 I378 V479 F481	V185-M189 HydrophobicContact CG1-CG 3.98Å; V185-M189 WeakPolarHBondContact O-CB 3.28Å; V185-M189 VanDerWaalsContact O-CG 3.23Å; V185-M189 WeakPolarHBondContact O-CG 3.41Å; V185-M189 PolarHBondContact O-N 3.03Å; E186-M189 PolarHBondContact O-N 3.4Å; M189-E191 PolarHBondContact O-N 3.21Å; M189-L192 PolarHBondContact O-N 3.06Å; M189-L193 WeakPolarHBondContact O-CB 3.28Å; M189-L193 WeakPolarHBondContact O-CD1 3.43Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.39Å; M189-L193 PolarHBondContact O-N 3.49Å; M189-H304 HydrophobicContact CE-CB 4.22Å; M189-H304 HydrophobicContact CG-CB 4.2Å; M189-H304 HydrophobicContact SD-CB 3.64Å; M189-I378 HydrophobicContact CB-CD1 4.08Å; M189-I378 HydrophobicContact CB-CG2 4.34Å; M189-I378 HydrophobicContact CE-CG2 4.19Å; M189-I378 HydrophobicContact CG-CG2 4.21Å; M189-V479 HydrophobicContact CE-CG2 3.54Å; M189-F481 HydrophobicContact SD-CB 3.51Å; M189-F481 VanDerWaalsContact SD-CB 3.51Å; M189-F481 HydrophobicContact SD-CD1 4.35Å; M189-F481 HydrophobicContact SD-CG 4.35Å
190	N	95.5	Very high	93.5	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.144	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-43.1	177	-159.7	-55.4	0	0	0	111.8	E186 P187 I188 L193 H194 E365 H367	E186-N190 WeakPolarHBondContact O-CB 3.47Å; E186-N190 PolarHBondContact O-N 3.31Å; P187-N190 PolarHBondContact O-N 3.05Å; I188-N190 VanDerWaalsContact C-N 3.27Å; I188-N190 PolarHBondContact O-N 3.32Å; N190-L193 PolarHBondContact O-N 2.93Å; N190-H194 PolarHBondContact O-N 2.83Å; N190-H194 VanDerWaalsContact O-N 3.14Å; N190-H194 PolarHBondContact O-ND1 3.47Å; N190-H194 PolarHBondContact OD1-CE1 2.86Å; N190-H194 PolarHBondContact OD1-ND1 2.93Å; N190-E365 PolarHBondContact ND2-OE2 3.1Å; N190-H367 PolarHBondContact ND2-CE1 2.9Å; N190-H367 PolarHBondContact ND2-NE2 3.04Å
191	E	96.1	Very high	93.5	Very high	20 Å²	20	45.9 Å²	45.9	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-51.7	173.5	-173.1	66.5	-166.7	0	0	111.8	R130 P187 I188 M189 L193 H194 V195 P206 K207 Y208	R130-E191 IonicContact CZ-OE2 2.64Å; R130-E191 IonicContact NH1-OE2 3.88Å; R130-E191 VanDerWaalsContact NH2-CD 3.31Å; R130-E191 IonicContact NH2-OE1 3.3Å; R130-E191 IonicContact NH2-OE2 3.05Å; R130-E191 PolarHBondContact NH2-OE2 2.78Å; P187-E191 WeakPolarHBondContact O-CB 3.34Å; P187-E191 PolarHBondContact O-N 2.87Å; I188-E191 WeakPolarHBondContact O-CB 3.46Å; I188-E191 PolarHBondContact O-N 3.29Å; M189-E191 PolarHBondContact O-N 3.21Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 3.07Å; E191-H194 PolarHBondContact O-N 2.64Å; E191-V195 WeakPolarHBondContact O-CG2 3.27Å; E191-V195 PolarHBondContact O-N 2.88Å; E191-P206 WeakPolarHBondContact OE1-CA 3.36Å; E191-P206 WeakPolarHBondContact OE1-CB 3.43Å; E191-K207 PolarHBondContact OE1-N 2.82Å; E191-K207 VanDerWaalsContact OE2-CB 3.26Å; E191-K207 WeakPolarHBondContact OE2-CB 2.72Å; E191-Y208 HydrophobicContact CG-CD2 4.46Å
192	L	97	Very high	93.8	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.068	21%	0.207	C	C	.	.	H	α-helix	trans	-61.9	-41.1	-178.7	-65.3	-177.7	0	0	0	111.9	I188 M189 H194 V195 A196 Y286 L288 V479 F481	I188-L192 HydrophobicContact CG2-CD1 4.12Å; I188-L192 HydrophobicContact CG2-CG 4.29Å; I188-L192 VanDerWaalsContact O-CG 3.29Å; I188-L192 WeakPolarHBondContact O-CG 2.81Å; I188-L192 PolarHBondContact O-N 3.13Å; M189-L192 PolarHBondContact O-N 3.06Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3Å; L192-V195 PolarHBondContact O-N 2.82Å; L192-A196 VanDerWaalsContact O-CB 3.24Å; L192-A196 WeakPolarHBondContact O-CB 3.21Å; L192-A196 PolarHBondContact O-N 2.91Å; L192-Y286 HydrophobicContact CD2-CD1 3.67Å; L192-Y286 HydrophobicContact CD2-CE1 3.54Å; L192-L288 HydrophobicContact CD1-CB 3.87Å; L192-L288 HydrophobicContact CD1-CD2 4.18Å; L192-L288 HydrophobicContact CD2-CB 4.36Å; L192-L288 HydrophobicContact CD2-CD2 4.2Å; L192-V479 HydrophobicContact CB-CB 4.26Å; L192-V479 HydrophobicContact CB-CG1 4.32Å; L192-V479 HydrophobicContact CB-CG2 4.31Å; L192-F481 HydrophobicContact CD1-CB 3.92Å; L192-F481 HydrophobicContact CD1-CD2 4.45Å; L192-F481 HydrophobicContact CD1-CG 4.37Å
193	L	98	Very high	94.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-60.3	-44.1	177.1	-80.5	159.1	0	0	0	111.5	M189 N190 E191 A197 L374 T376 I378 T477 V479	M189-L193 WeakPolarHBondContact O-CB 3.28Å; M189-L193 WeakPolarHBondContact O-CD1 3.43Å; M189-L193 VanDerWaalsContact O-CG 3.26Å; M189-L193 WeakPolarHBondContact O-CG 3.39Å; M189-L193 PolarHBondContact O-N 3.49Å; N190-L193 PolarHBondContact O-N 2.93Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 3.07Å; L193-A197 WeakPolarHBondContact O-CB 3.34Å; L193-A197 PolarHBondContact O-N 3Å; L193-L374 HydrophobicContact CB-CD2 4.15Å; L193-T376 HydrophobicContact CD1-CG2 3.94Å; L193-T376 HydrophobicContact CD2-CG2 4.13Å; L193-T376 HydrophobicContact CG-CG2 4.45Å; L193-I378 HydrophobicContact CD1-CD1 3.61Å; L193-I378 HydrophobicContact CD1-CG1 3.83Å; L193-T477 HydrophobicContact CD2-CG2 4.28Å; L193-V479 HydrophobicContact CD1-CG2 4.49Å; L193-V479 HydrophobicContact CD2-CG1 4.26Å; L193-V479 HydrophobicContact CD2-CG2 3.75Å; L193-V479 HydrophobicContact CG-CG1 4.46Å; L193-V479 HydrophobicContact CG-CG2 3.65Å
194	H	97.6	Very high	94.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.5	-46.6	177.8	-78.5	88.6	0	0	0	112.8	R130 N190 E191 L192 A196 A197 Y198 G204 Y369	R130-H194 VanDerWaalsContact NE-CG 3.3Å; N190-H194 PolarHBondContact O-N 2.83Å; N190-H194 VanDerWaalsContact O-N 3.14Å; N190-H194 PolarHBondContact O-ND1 3.47Å; N190-H194 PolarHBondContact OD1-CE1 2.86Å; N190-H194 PolarHBondContact OD1-ND1 2.93Å; E191-H194 PolarHBondContact O-N 2.64Å; L192-H194 VanDerWaalsContact C-N 3.35Å; L192-H194 PolarHBondContact O-N 3Å; H194-A196 VanDerWaalsContact C-N 3.27Å; H194-A196 PolarHBondContact O-N 2.86Å; H194-A197 PolarHBondContact O-N 3.47Å; H194-Y198 PolarHBondContact O-N 2.85Å; H194-G204 WeakPolarHBondContact O-CA 3.05Å; H194-Y369 AromaticContact NE2-CE2 3.59Å; H194-Y369 AromaticContact NE2-CZ 3.62Å; H194-Y369 PolarHBondContact NE2-OH 2.82Å
195	V	95.9	Very high	94.7	Very high	29 Å²	29	31.5 Å²	31.5	18%	0.176	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-42.2	176.6	170.9	0	0	0	0	110.5	E191 L192 K199	E191-V195 WeakPolarHBondContact O-CG2 3.27Å; E191-V195 PolarHBondContact O-N 2.88Å; L192-V195 PolarHBondContact O-N 2.82Å; V195-K199 WeakPolarHBondContact O-CA 3.4Å; V195-K199 PolarHBondContact O-N 3.31Å
196	A	97.1	Very high	94.8	Very high	7 Å²	7	31.4 Å²	31.4	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-45.9	178.2	0	0	0	0	0	111.9	L192 H194 G283 T477 V479	L192-A196 VanDerWaalsContact O-CB 3.24Å; L192-A196 WeakPolarHBondContact O-CB 3.21Å; L192-A196 PolarHBondContact O-N 2.91Å; H194-A196 VanDerWaalsContact C-N 3.27Å; H194-A196 PolarHBondContact O-N 2.86Å; A196-G283 CarbonylContact O-C 3.47Å; A196-T477 HydrophobicContact CB-CG2 3.5Å; A196-V479 HydrophobicContact CB-CG1 3.6Å
197	A	97.5	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.1	-43.5	-174.4	0	0	0	0	0	113.6	L193 H194 Y281 T282 G283 L374 T477	L193-A197 WeakPolarHBondContact O-CB 3.34Å; L193-A197 PolarHBondContact O-N 3Å; H194-A197 PolarHBondContact O-N 3.47Å; A197-Y281 HydrophobicContact CB-CD2 3.92Å; A197-Y281 HydrophobicContact CB-CE2 3.62Å; A197-T282 PolarHBondContact O-N 3.21Å; A197-T282 PolarHBondContact O-OG1 2.78Å; A197-G283 PolarHBondContact O-N 2.75Å; A197-L374 HydrophobicContact CB-CD1 3.98Å; A197-T477 HydrophobicContact CB-CG2 4.22Å
198	Y	96.2	Very high	95.1	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-110.8	-1.4	-172.7	-63.1	-80.6	0	0	0	113.4	H194 N201 L203 G204 E280 Y281 T372 G373	H194-Y198 PolarHBondContact O-N 2.85Å; Y198-N201 PolarHBondContact O-N 3.43Å; Y198-L203 HydrophobicContact CD1-CB 4.29Å; Y198-L203 HydrophobicContact CD1-CD1 4.47Å; Y198-L203 HydrophobicContact CD2-CB 3.71Å; Y198-L203 HydrophobicContact CD2-CD1 4.48Å; Y198-L203 HydrophobicContact CE1-CD1 4.03Å; Y198-L203 HydrophobicContact CE2-CB 4.05Å; Y198-L203 HydrophobicContact CE2-CD1 4.04Å; Y198-L203 HydrophobicContact CG-CB 3.85Å; Y198-G204 VanDerWaalsContact CB-N 3.32Å; Y198-E280 WeakPolarHBondContact CD1-O 3.31Å; Y198-Y281 HydrophobicContact CE1-CD2 4.24Å; Y198-Y281 HydrophobicContact CE2-CD2 4.47Å; Y198-T372 HydrophobicContact CE1-CG2 3.78Å; Y198-T372 WeakPolarHBondContact OH-CG2 3.49Å; Y198-T372 PolarHBondContact OH-OG1 3.34Å; Y198-G373 PolarHBondContact OH-O 2.83Å
199	K	93.1	Very high	95.2	Very high	118 Å²	118	27.4 Å²	27.4	51%	0.513	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-147.1	179.8	-63.6	175	179.3	168.2	0	111.6	V195 N201 G204 T282	V195-K199 WeakPolarHBondContact O-CA 3.4Å; V195-K199 PolarHBondContact O-N 3.31Å; K199-N201 PolarHBondContact O-N 3.49Å; K199-G204 CarbonylContact O-C 2.96Å; K199-G204 WeakPolarHBondContact O-CA 3.39Å; K199-G204 VanDerWaalsContact O-O 3.11Å; K199-T282 HydrophobicContact CD-CG2 4.27Å; K199-T282 WeakPolarHBondContact CD-OG1 3.5Å; K199-T282 WeakPolarHBondContact CE-OG1 3.2Å; K199-T282 WeakPolarHBondContact CG-OG1 3.14Å
200	N	89.1	Confident	95.1	Very high	145 Å²	145	28.6 Å²	28.6	78%	0.775	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	37.7	-179	-57.9	-33.5	0	0	0	112
201	N	89.4	Confident	95.1	Very high	64 Å²	64	31.8 Å²	31.8	34%	0.342	16%	0.159	S	C	.	.	S	Bend	trans	-138.3	147.9	-177.8	-165	20.6	0	0	0	111.5	Y198 K199 L203 G204	Y198-N201 PolarHBondContact O-N 3.43Å; K199-N201 PolarHBondContact O-N 3.49Å; N201-L203 PolarHBondContact O-N 3Å; N201-G204 PolarHBondContact O-N 3.06Å
202	T	92.2	Very high	95	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	36.8	-107.2	179.3	68.3	0	0	0	0	113.5	R83 G204 L205 S279	R83-T202 WeakPolarHBondContact CA-O 3.41Å; T202-G204 VanDerWaalsContact C-N 3.25Å; T202-G204 PolarHBondContact O-N 3.49Å; T202-L205 WeakPolarHBondContact O-CB 3.1Å; T202-L205 WeakPolarHBondContact O-CG 3.47Å; T202-L205 PolarHBondContact O-N 2.95Å; T202-S279 WeakPolarHBondContact OG1-CA 3.48Å; T202-S279 VanDerWaalsContact OG1-CB 3.31Å; T202-S279 WeakPolarHBondContact OG1-CB 3.49Å; T202-S279 PolarHBondContact OG1-OG 2.82Å; T202-S279 VanDerWaalsContact OG1-OG 3.13Å
203	L	95.4	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-71.8	-15.3	-174.5	-65.9	171.2	0	0	0	114.2	R83 R130 Y198 N201 Y369 T372	R83-L203 HydrophobicContact CB-CD2 4.46Å; R83-L203 HydrophobicContact CG-CD2 4.42Å; R130-L203 HydrophobicContact CB-CD2 4.09Å; R130-L203 PolarHBondContact NE-O 2.93Å; Y198-L203 HydrophobicContact CD1-CB 4.29Å; Y198-L203 HydrophobicContact CD1-CD1 4.47Å; Y198-L203 HydrophobicContact CD2-CB 3.71Å; Y198-L203 HydrophobicContact CD2-CD1 4.48Å; Y198-L203 HydrophobicContact CE1-CD1 4.03Å; Y198-L203 HydrophobicContact CE2-CB 4.05Å; Y198-L203 HydrophobicContact CE2-CD1 4.04Å; Y198-L203 HydrophobicContact CG-CB 3.85Å; N201-L203 PolarHBondContact O-N 3Å; L203-Y369 HydrophobicContact CD1-CD1 4.39Å; L203-Y369 HydrophobicContact CD1-CD2 3.34Å; L203-Y369 HydrophobicContact CD1-CE2 3.76Å; L203-Y369 HydrophobicContact CD1-CG 3.7Å; L203-Y369 HydrophobicContact CD2-CD1 3.71Å; L203-Y369 HydrophobicContact CD2-CD2 4.1Å; L203-Y369 HydrophobicContact CD2-CE1 3.78Å; L203-Y369 HydrophobicContact CD2-CE2 4.15Å; L203-Y369 HydrophobicContact CD2-CG 3.88Å; L203-Y369 HydrophobicContact CG-CD2 4.35Å; L203-Y369 HydrophobicContact CG-CE2 4.5Å; L203-Y369 HydrophobicContact CG-CG 4.46Å; L203-T372 HydrophobicContact CD1-CG2 3.4Å; L203-T372 VanDerWaalsContact CD1-CG2 3.4Å
204	G	95.5	Very high	94.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.01	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-88.7	-5.9	175.6	0	0	0	0	0	113.2	H194 Y198 K199 N201 T202	H194-G204 WeakPolarHBondContact O-CA 3.05Å; Y198-G204 VanDerWaalsContact CB-N 3.32Å; K199-G204 CarbonylContact O-C 2.96Å; K199-G204 WeakPolarHBondContact O-CA 3.39Å; K199-G204 VanDerWaalsContact O-O 3.11Å; N201-G204 PolarHBondContact O-N 3.06Å; T202-G204 VanDerWaalsContact C-N 3.25Å; T202-G204 PolarHBondContact O-N 3.49Å
205	L	95.3	Very high	94.5	Very high	11 Å²	11	45.9 Å²	45.9	6%	0.058	23%	0.23	C	C	.	.	S	Bend	trans	-62.1	137.8	166.2	-65.8	174.3	0	0	0	109.8	P82 E85 T202	P82-L205 HydrophobicContact CB-CB 4.45Å; P82-L205 WeakPolarHBondContact O-CB 3.12Å; P82-L205 WeakPolarHBondContact O-CD1 3.36Å; E85-L205 HydrophobicContact CB-CD1 4.25Å; T202-L205 WeakPolarHBondContact O-CB 3.1Å; T202-L205 WeakPolarHBondContact O-CG 3.47Å; T202-L205 PolarHBondContact O-N 2.95Å
206	P	94.8	Very high	94.5	Very high	29 Å²	29	50.1 Å²	50.1	19%	0.188	25%	0.246	C	C	.	.			trans	-71.3	138.1	-167.1	28.3	-35	0	0	0	111.4	E191 P210	E191-P206 WeakPolarHBondContact OE1-CA 3.36Å; E191-P206 WeakPolarHBondContact OE1-CB 3.43Å; P206-P210 HydrophobicContact CG-CG 3.72Å
207	K	94.7	Very high	94.5	Very high	66 Å²	66	50.2 Å²	50.2	29%	0.287	25%	0.246	S	C	.	.	S	Bend	trans	-67.4	-43.5	174.5	-177.2	-175.4	172.3	176.6	0	110.8	V128 E191	V128-K207 WeakPolarHBondContact O-CE 3.38Å; V128-K207 PolarHBondContact O-NZ 3.23Å; E191-K207 PolarHBondContact OE1-N 2.82Å; E191-K207 VanDerWaalsContact OE2-CB 3.26Å; E191-K207 WeakPolarHBondContact OE2-CB 2.72Å
208	Y	95.1	Very high	94.4	Very high	40 Å²	40	53.2 Å²	53.2	16%	0.157	26%	0.262	C	S	.	.	S	Bend	trans	-87.6	135.8	179.1	-59	-74.7	0	0	0	110.2	L179 E191 P210	L179-Y208 HydrophobicContact CD1-CD1 3.76Å; L179-Y208 HydrophobicContact CD1-CE1 3.61Å; L179-Y208 HydrophobicContact CD1-CE2 4.45Å; L179-Y208 HydrophobicContact CD1-CG 4.24Å; E191-Y208 HydrophobicContact CG-CD2 4.46Å; Y208-P210 VanDerWaalsContact O-CD 3.32Å; Y208-P210 WeakPolarHBondContact O-CD 3.38Å
209	C	96.6	Very high	94.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.007	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-54.4	121.9	175.1	-179.3	0	0	0	0	110.8	H94 I172 L176 K211	H94-C209 HydrophobicContact CB-CB 4.3Å; H94-C209 PolarHBondContact ND1-N 3.37Å; I172-C209 HydrophobicContact CG2-CB 4.01Å; L176-C209 WeakPolarHBondContact CD1-O 3.05Å; C209-K211 PolarHBondContact O-N 3.44Å
210	P	95.4	Very high	94.6	Very high	25 Å²	25	55.8 Å²	55.8	16%	0.162	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-59.2	138	173.1	-23.6	34.5	0	0	0	110.8	S90 P206 Y208 Q212 N213 L214	S90-P210 WeakPolarHBondContact O-CD 3.4Å; P206-P210 HydrophobicContact CG-CG 3.72Å; Y208-P210 VanDerWaalsContact O-CD 3.32Å; Y208-P210 WeakPolarHBondContact O-CD 3.38Å; P210-Q212 HydrophobicContact CB-CG 4.4Å; P210-Q212 PolarHBondContact O-N 3.21Å; P210-N213 HydrophobicContact CB-CB 4.42Å; P210-N213 WeakPolarHBondContact O-CA 3.28Å; P210-N213 WeakPolarHBondContact O-CB 3.4Å; P210-N213 PolarHBondContact O-N 2.77Å; P210-L214 PolarHBondContact O-N 2.86Å
211	K	94.2	Very high	94.9	Very high	94 Å²	94	50.4 Å²	50.4	41%	0.409	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-54	-40.1	-177.7	-76.3	-174.9	165.3	-172.1	0	113.1	L176 E180 C209 N213 L214	L176-K211 HydrophobicContact CD1-CG 3.99Å; E180-K211 WeakPolarHBondContact OE1-CE 3.47Å; E180-K211 IonicContact OE1-NZ 2.76Å; E180-K211 PolarHBondContact OE1-NZ 2.89Å; E180-K211 IonicContact OE2-NZ 3.69Å; E180-K211 PolarHBondContact OE2-NZ 3.08Å; C209-K211 PolarHBondContact O-N 3.44Å; K211-N213 PolarHBondContact O-N 2.97Å; K211-L214 WeakPolarHBondContact O-CB 3.11Å; K211-L214 PolarHBondContact O-N 2.58Å
212	Q	94.7	Very high	95.2	Very high	131 Å²	131	47.3 Å²	47.3	61%	0.612	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-66.2	-15.5	178	65.8	-86.1	14.4	0	0	114.2	P210 K216	P210-Q212 HydrophobicContact CB-CG 4.4Å; P210-Q212 PolarHBondContact O-N 3.21Å; Q212-K216 VanDerWaalsContact O-CE 3.32Å; Q212-K216 WeakPolarHBondContact O-CE 3.41Å
213	N	96.3	Very high	95.4	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.102	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-98.1	-10.2	179.7	-70.7	-2.3	0	0	0	112.9	V89 S90 P210 K211 N215 K216 I217	V89-N213 HydrophobicContact CG1-CB 4.01Å; S90-N213 PolarHBondContact O-ND2 2.99Å; P210-N213 HydrophobicContact CB-CB 4.42Å; P210-N213 WeakPolarHBondContact O-CA 3.28Å; P210-N213 WeakPolarHBondContact O-CB 3.4Å; P210-N213 PolarHBondContact O-N 2.77Å; K211-N213 PolarHBondContact O-N 2.97Å; N213-N215 VanDerWaalsContact C-N 3.25Å; N213-N215 PolarHBondContact O-N 2.79Å; N213-K216 PolarHBondContact O-N 3.11Å; N213-K216 PolarHBondContact OD1-NZ 3.44Å; N213-I217 PolarHBondContact O-N 3.38Å; N213-I217 VanDerWaalsContact O-N 3.17Å
214	L	94.4	Very high	95.4	Very high	19 Å²	19	49 Å²	49	10%	0.099	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-45.4	179.9	-74.8	171.4	0	0	0	112.1	Y95 I172 L176 P210 K211 K216	Y95-L214 PolarHBondContact OH-O 3.12Å; I172-L214 HydrophobicContact CB-CD2 4.09Å; I172-L214 HydrophobicContact CG2-CD2 3.59Å; L176-L214 HydrophobicContact CD1-CD1 4.16Å; L176-L214 HydrophobicContact CD1-CD2 4.32Å; L176-L214 HydrophobicContact CD1-CG 4.48Å; P210-L214 PolarHBondContact O-N 2.86Å; K211-L214 WeakPolarHBondContact O-CB 3.11Å; K211-L214 PolarHBondContact O-N 2.58Å; L214-K216 VanDerWaalsContact C-N 3.34Å
215	N	91.9	Very high	95.4	Very high	160 Å²	160	49 Å²	49	86%	0.856	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	0.3	-179.4	-59.4	-33.7	0	0	0	113.8	N213	N213-N215 VanDerWaalsContact C-N 3.25Å; N213-N215 PolarHBondContact O-N 2.79Å
216	K	96	Very high	95.4	Very high	118 Å²	118	48.8 Å²	48.8	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-34.1	178.9	-64.1	-175.9	-172.7	167.5	0	112.1	V89 Q212 N213 L214 N218	V89-K216 HydrophobicContact CG1-CB 4.12Å; Q212-K216 VanDerWaalsContact O-CE 3.32Å; Q212-K216 WeakPolarHBondContact O-CE 3.41Å; N213-K216 PolarHBondContact O-N 3.11Å; N213-K216 PolarHBondContact OD1-NZ 3.44Å; L214-K216 VanDerWaalsContact C-N 3.34Å; K216-N218 PolarHBondContact O-N 3.26Å
217	I	96.6	Very high	95.3	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.046	23%	0.227	C	C	.	.			trans	-73.2	117.8	178.6	-62.6	168.4	0	0	0	108.3	V89 Y95 N213 I222	V89-I217 HydrophobicContact CB-CG1 3.82Å; V89-I217 HydrophobicContact CG1-CD1 4.2Å; V89-I217 HydrophobicContact CG1-CG1 3.49Å; V89-I217 VanDerWaalsContact CG1-CG1 3.49Å; Y95-I217 HydrophobicContact CD1-CG2 4.33Å; Y95-I217 HydrophobicContact CD2-CB 4.22Å; Y95-I217 HydrophobicContact CD2-CD1 3.61Å; Y95-I217 HydrophobicContact CD2-CG2 3.88Å; Y95-I217 HydrophobicContact CE1-CG2 4.49Å; Y95-I217 HydrophobicContact CE2-CB 3.91Å; Y95-I217 HydrophobicContact CE2-CD1 3.56Å; Y95-I217 HydrophobicContact CE2-CG1 4.3Å; Y95-I217 HydrophobicContact CE2-CG2 4.04Å; Y95-I217 HydrophobicContact CG-CG2 4.02Å; N213-I217 PolarHBondContact O-N 3.38Å; N213-I217 VanDerWaalsContact O-N 3.17Å; I217-I222 HydrophobicContact CG2-CD1 4.06Å; I217-I222 HydrophobicContact CG2-CG1 3.87Å
218	N	95.8	Very high	95.2	Very high	64 Å²	64	44.7 Å²	44.7	34%	0.342	22%	0.215	S	C	.	.			trans	-116.9	176.4	174.8	66.1	61.4	0	0	0	111.4	K216 E220 D221 I222	K216-N218 PolarHBondContact O-N 3.26Å; N218-E220 VanDerWaalsContact C-N 3.28Å; N218-E220 PolarHBondContact O-N 2.84Å; N218-E220 WeakPolarHBondContact OD1-CA 3.08Å; N218-E220 VanDerWaalsContact OD1-CB 3.27Å; N218-E220 WeakPolarHBondContact OD1-CB 3.39Å; N218-E220 PolarHBondContact OD1-N 3.49Å; N218-D221 PolarHBondContact N-OD2 2.86Å; N218-D221 PolarHBondContact ND2-OD2 3.28Å; N218-D221 PolarHBondContact O-N 2.97Å; N218-D221 PolarHBondContact OD1-N 2.89Å; N218-D221 VanDerWaalsContact OD1-N 3.15Å; N218-D221 PolarHBondContact OD1-OD2 3.3Å; N218-I222 WeakPolarHBondContact O-CG1 3.27Å; N218-I222 PolarHBondContact O-N 3.03Å
219	R	96.8	Very high	95.1	Very high	57 Å²	57	43 Å²	43	22%	0.215	21%	0.208	C	C	.	.	H	α-helix	trans	-55.9	-40.2	179.8	-175.9	-176.9	179.8	-80.7	-15.8	113	K159 I160 V165 I222 I223 E265	K159-R219 PolarHBondContact O-NH2 3.01Å; I160-R219 HydrophobicContact CG2-CG 4.31Å; I160-R219 WeakPolarHBondContact O-CD 3.46Å; I160-R219 PolarHBondContact O-NE 3.42Å; I160-R219 PolarHBondContact O-NH2 3.2Å; V165-R219 HydrophobicContact CG2-CB 4.2Å; R219-I222 PolarHBondContact O-N 2.77Å; R219-I223 HydrophobicContact CG-CD1 3.91Å; R219-I223 VanDerWaalsContact CZ-CD1 3.5Å; R219-I223 VanDerWaalsContact NH1-CD1 3.25Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.26Å; R219-I223 PolarHBondContact O-N 3.12Å; R219-E265 IonicContact CZ-OE1 3.34Å; R219-E265 IonicContact CZ-OE2 2.71Å; R219-E265 IonicContact NH1-OE1 2.69Å; R219-E265 IonicContact NH1-OE2 3.54Å; R219-E265 PolarHBondContact NH1-OE2 3.29Å; R219-E265 VanDerWaalsContact NH2-CD 3.34Å; R219-E265 IonicContact NH2-OE1 3.14Å; R219-E265 PolarHBondContact NH2-OE1 3.27Å; R219-E265 IonicContact NH2-OE2 2.96Å; R219-E265 PolarHBondContact NH2-OE2 2.98Å; R219-E265 VanDerWaalsContact NH2-OE2 3.14Å
220	E	95.9	Very high	95	Very high	116 Å²	116	43.2 Å²	43.2	54%	0.542	21%	0.209	S	C	.	.	H	α-helix	trans	-66.3	-38.7	-179.5	-57.1	-173.7	170.7	0	0	111.7	N218 I222 I223 K224 A267	N218-E220 VanDerWaalsContact C-N 3.28Å; N218-E220 PolarHBondContact O-N 2.84Å; N218-E220 WeakPolarHBondContact OD1-CA 3.08Å; N218-E220 VanDerWaalsContact OD1-CB 3.27Å; N218-E220 WeakPolarHBondContact OD1-CB 3.39Å; N218-E220 PolarHBondContact OD1-N 3.49Å; E220-I222 VanDerWaalsContact C-N 3.33Å; E220-I222 PolarHBondContact O-N 3.33Å; E220-I223 PolarHBondContact O-N 2.68Å; E220-K224 WeakPolarHBondContact O-CB 2.89Å; E220-K224 VanDerWaalsContact O-CG 3.3Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.39Å; E220-A267 HydrophobicContact CB-CB 3.96Å; E220-A267 HydrophobicContact CG-CB 4.13Å
221	D	95.3	Very high	94.9	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.171	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-43.2	176.9	-59.4	-46.9	0	0	0	111.6	N218 K224 F225	N218-D221 PolarHBondContact N-OD2 2.86Å; N218-D221 PolarHBondContact ND2-OD2 3.28Å; N218-D221 PolarHBondContact O-N 2.97Å; N218-D221 PolarHBondContact OD1-N 2.89Å; N218-D221 VanDerWaalsContact OD1-N 3.15Å; N218-D221 PolarHBondContact OD1-OD2 3.3Å; D221-K224 PolarHBondContact O-N 2.97Å; D221-F225 PolarHBondContact O-N 3.13Å
222	I	96.7	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.4	-45	178.8	-60.9	167	0	0	0	110	T92 Y95 L96 L99 I160 V165 I217 N218 R219 E220 K224 F225 V226	T92-I222 HydrophobicContact CG2-CG1 4.24Å; Y95-I222 HydrophobicContact CD1-CD1 4.05Å; Y95-I222 HydrophobicContact CG-CD1 4.29Å; L96-I222 HydrophobicContact CD2-CG2 3.57Å; L96-I222 HydrophobicContact CG-CG2 4.16Å; L99-I222 HydrophobicContact CD1-CD1 3.81Å; L99-I222 HydrophobicContact CD1-CG2 4.14Å; I160-I222 HydrophobicContact CD1-CG2 3.88Å; I160-I222 HydrophobicContact CG2-CG2 4.33Å; V165-I222 HydrophobicContact CG1-CD1 4Å; V165-I222 HydrophobicContact CG2-CD1 3.8Å; I217-I222 HydrophobicContact CG2-CD1 4.06Å; I217-I222 HydrophobicContact CG2-CG1 3.87Å; N218-I222 WeakPolarHBondContact O-CG1 3.27Å; N218-I222 PolarHBondContact O-N 3.03Å; R219-I222 PolarHBondContact O-N 2.77Å; E220-I222 VanDerWaalsContact C-N 3.33Å; E220-I222 PolarHBondContact O-N 3.33Å; I222-K224 VanDerWaalsContact C-N 3.35Å; I222-K224 PolarHBondContact O-N 2.98Å; I222-F225 PolarHBondContact O-N 3.25Å; I222-V226 WeakPolarHBondContact O-CG2 3.49Å; I222-V226 PolarHBondContact O-N 2.77Å
223	I	96	Very high	94.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.9	-45.4	176.2	-72.5	166.8	0	0	0	111.1	R219 E220 F225 V226 A227 V262 E265 A267 A268	R219-I223 HydrophobicContact CG-CD1 3.91Å; R219-I223 VanDerWaalsContact CZ-CD1 3.5Å; R219-I223 VanDerWaalsContact NH1-CD1 3.25Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.26Å; R219-I223 PolarHBondContact O-N 3.12Å; E220-I223 PolarHBondContact O-N 2.68Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 3.09Å; I223-V226 PolarHBondContact O-N 3.06Å; I223-A227 VanDerWaalsContact O-CB 3.24Å; I223-A227 WeakPolarHBondContact O-CB 3.23Å; I223-A227 PolarHBondContact O-N 2.89Å; I223-V262 HydrophobicContact CG1-CB 4.19Å; I223-V262 HydrophobicContact CG1-CG1 4.3Å; I223-V262 HydrophobicContact CG2-CB 4.12Å; I223-V262 WeakPolarHBondContact CG2-O 3.48Å; I223-E265 WeakPolarHBondContact CD1-OE2 3.46Å; I223-E265 HydrophobicContact CG2-CB 4.42Å; I223-A267 HydrophobicContact CB-CB 4.37Å; I223-A267 HydrophobicContact CG2-CB 3.96Å; I223-A268 HydrophobicContact CG2-CB 4.13Å
224	K	95.4	Very high	94.6	Very high	38 Å²	38	41.5 Å²	41.5	17%	0.165	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-42.4	177	-75	176.9	-179.1	-164.9	0	111.1	F88 E220 D221 I222 A228 A267 D270	F88-K224 HydrophobicContact CE1-CB 4.02Å; E220-K224 WeakPolarHBondContact O-CB 2.89Å; E220-K224 VanDerWaalsContact O-CG 3.3Å; E220-K224 WeakPolarHBondContact O-CG 3.17Å; E220-K224 PolarHBondContact O-N 3.39Å; D221-K224 PolarHBondContact O-N 2.97Å; I222-K224 VanDerWaalsContact C-N 3.35Å; I222-K224 PolarHBondContact O-N 2.98Å; K224-A228 WeakPolarHBondContact O-CB 3.41Å; K224-A228 PolarHBondContact O-N 3.47Å; K224-A267 WeakPolarHBondContact CE-O 3.37Å; K224-A267 VanDerWaalsContact CG-O 3.24Å; K224-A267 WeakPolarHBondContact CG-O 3.36Å; K224-D270 WeakPolarHBondContact CE-O 3.47Å; K224-D270 IonicContact NZ-OD2 2.99Å; K224-D270 PolarHBondContact NZ-OD2 3.28Å
225	F	95.3	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-46	178.6	-171.6	-91.7	0	0	0	112.5	A80 E85 F88 T92 L96 D221 I222 I223 A227 A228 Q229	A80-F225 HydrophobicContact CB-CE1 4.3Å; E85-F225 HydrophobicContact CG-CE2 3.76Å; E85-F225 HydrophobicContact CG-CZ 4.22Å; F88-F225 HydrophobicContact CB-CD2 4.21Å; F88-F225 HydrophobicContact CD1-CB 4.01Å; F88-F225 AromaticContact CD1-CD2 3.96Å; F88-F225 HydrophobicContact CD1-CD2 3.96Å; F88-F225 AromaticContact CD2-CD2 3.66Å; F88-F225 HydrophobicContact CD2-CD2 3.66Å; F88-F225 HydrophobicContact CD2-CE2 4.14Å; F88-F225 HydrophobicContact CE1-CB 4.05Å; F88-F225 HydrophobicContact CE1-CD2 4.24Å; F88-F225 AromaticContact CE2-CD2 3.96Å; F88-F225 HydrophobicContact CE2-CD2 3.96Å; F88-F225 AromaticContact CG-CD2 3.67Å; F88-F225 HydrophobicContact CG-CD2 3.67Å; F88-F225 HydrophobicContact CG-CE2 4.47Å; F88-F225 HydrophobicContact CZ-CD2 4.25Å; T92-F225 HydrophobicContact CG2-CB 3.64Å; T92-F225 HydrophobicContact CG2-CD1 4.26Å; T92-F225 HydrophobicContact CG2-CD2 4.3Å; T92-F225 HydrophobicContact CG2-CG 3.82Å; L96-F225 HydrophobicContact CD1-CD1 3.48Å; L96-F225 VanDerWaalsContact CD1-CD1 3.48Å; L96-F225 HydrophobicContact CD1-CE1 3.78Å; D221-F225 PolarHBondContact O-N 3.13Å; I222-F225 PolarHBondContact O-N 3.25Å; I223-F225 VanDerWaalsContact C-N 3.28Å; I223-F225 PolarHBondContact O-N 3.09Å; F225-A227 PolarHBondContact O-N 3.3Å; F225-A228 WeakPolarHBondContact O-CB 3.35Å; F225-A228 PolarHBondContact O-N 2.94Å; F225-Q229 HydrophobicContact CD1-CG 4.24Å; F225-Q229 HydrophobicContact CD2-CG 4.36Å; F225-Q229 HydrophobicContact CE1-CG 3.98Å; F225-Q229 HydrophobicContact CE2-CG 4.07Å; F225-Q229 HydrophobicContact CG-CG 4.46Å; F225-Q229 HydrophobicContact CZ-CG 3.89Å; F225-Q229 WeakPolarHBondContact O-CG 3.41Å; F225-Q229 PolarHBondContact O-N 3.06Å
226	V	95.2	Very high	95	Very high	7 Å²	7	33 Å²	33	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-47.8	175.7	173.8	0	0	0	0	110.4	L96 I160 I222 I223 A228 Q229 F230 P260 V262	L96-V226 HydrophobicContact CD1-CG2 4.04Å; L96-V226 HydrophobicContact CD2-CG2 3.58Å; L96-V226 HydrophobicContact CG-CG2 4.45Å; I160-V226 HydrophobicContact CD1-CG2 4.41Å; I222-V226 WeakPolarHBondContact O-CG2 3.49Å; I222-V226 PolarHBondContact O-N 2.77Å; I223-V226 PolarHBondContact O-N 3.06Å; V226-A228 PolarHBondContact O-N 2.92Å; V226-Q229 PolarHBondContact O-N 3.46Å; V226-F230 HydrophobicContact CG1-CB 4.11Å; V226-F230 HydrophobicContact CG1-CD1 3.69Å; V226-F230 HydrophobicContact CG1-CD2 4.48Å; V226-F230 HydrophobicContact CG1-CE1 4.19Å; V226-F230 HydrophobicContact CG1-CG 3.86Å; V226-F230 HydrophobicContact CG2-CE1 4.43Å; V226-F230 HydrophobicContact CG2-CZ 4.42Å; V226-F230 WeakPolarHBondContact O-CB 3.46Å; V226-F230 PolarHBondContact O-N 2.96Å; V226-P260 HydrophobicContact CG1-CB 4.19Å; V226-P260 HydrophobicContact CG1-CG 4.38Å; V226-V262 HydrophobicContact CB-CG2 3.94Å; V226-V262 HydrophobicContact CG1-CG2 3.43Å; V226-V262 VanDerWaalsContact CG1-CG2 3.43Å
227	A	93.6	Very high	95.1	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.033	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-32.6	178.5	0	0	0	0	0	112.6	I223 F225 K231 A268 V271	I223-A227 VanDerWaalsContact O-CB 3.24Å; I223-A227 WeakPolarHBondContact O-CB 3.23Å; I223-A227 PolarHBondContact O-N 2.89Å; F225-A227 PolarHBondContact O-N 3.3Å; A227-K231 WeakPolarHBondContact O-CE 3.42Å; A227-K231 PolarHBondContact O-NZ 2.63Å; A227-A268 HydrophobicContact CB-CB 3.62Å; A227-V271 HydrophobicContact CB-CG2 3.81Å
228	A	92.9	Very high	95.2	Very high	5 Å²	5	27 Å²	27	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-72.1	-48.5	175.6	0	0	0	0	0	112.7	F88 K224 F225 V226 V271	F88-A228 HydrophobicContact CE2-CB 4.47Å; F88-A228 HydrophobicContact CZ-CB 3.74Å; K224-A228 WeakPolarHBondContact O-CB 3.41Å; K224-A228 PolarHBondContact O-N 3.47Å; F225-A228 WeakPolarHBondContact O-CB 3.35Å; F225-A228 PolarHBondContact O-N 2.94Å; V226-A228 PolarHBondContact O-N 2.92Å; A228-V271 HydrophobicContact CB-CG1 3.42Å; A228-V271 VanDerWaalsContact CB-CG1 3.42Å
229	Q	93.1	Very high	95.3	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.019	11%	0.113	C	C	.	.	H	α-helix	trans	-97.1	-32.5	-164.3	-58.4	-56.6	-20.5	0	0	114.2	A80 F225 V226 K231 N234	A80-Q229 HydrophobicContact CB-CB 3.95Å; A80-Q229 HydrophobicContact CB-CG 4.4Å; F225-Q229 HydrophobicContact CD1-CG 4.24Å; F225-Q229 HydrophobicContact CD2-CG 4.36Å; F225-Q229 HydrophobicContact CE1-CG 3.98Å; F225-Q229 HydrophobicContact CE2-CG 4.07Å; F225-Q229 HydrophobicContact CG-CG 4.46Å; F225-Q229 HydrophobicContact CZ-CG 3.89Å; F225-Q229 WeakPolarHBondContact O-CG 3.41Å; F225-Q229 PolarHBondContact O-N 3.06Å; V226-Q229 PolarHBondContact O-N 3.46Å; Q229-K231 PolarHBondContact O-N 2.98Å; Q229-N234 PolarHBondContact O-ND2 2.82Å
230	F	94.2	Very high	95.3	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.022	10%	0.103	C	C	.	.			trans	-84.5	59.7	-171.7	-70.4	-154.4	0	0	0	110.3	I78 A80 L96 Y135 V155 V226 P260	I78-F230 HydrophobicContact CD1-CD1 3.75Å; I78-F230 HydrophobicContact CD1-CD2 4Å; I78-F230 HydrophobicContact CD1-CE1 3.6Å; I78-F230 HydrophobicContact CD1-CE2 3.86Å; I78-F230 HydrophobicContact CD1-CG 3.96Å; I78-F230 HydrophobicContact CD1-CZ 3.66Å; I78-F230 HydrophobicContact CG2-CD2 3.81Å; I78-F230 HydrophobicContact CG2-CE2 4.13Å; I78-F230 HydrophobicContact CG2-CG 4.37Å; A80-F230 HydrophobicContact CB-CE2 4.2Å; L96-F230 HydrophobicContact CD1-CE2 4.35Å; L96-F230 HydrophobicContact CD1-CZ 4.23Å; Y135-F230 HydrophobicContact CE2-CE1 4.27Å; Y135-F230 HydrophobicContact CE2-CZ 4.19Å; V155-F230 HydrophobicContact CG1-CD1 4.15Å; V226-F230 HydrophobicContact CG1-CB 4.11Å; V226-F230 HydrophobicContact CG1-CD1 3.69Å; V226-F230 HydrophobicContact CG1-CD2 4.48Å; V226-F230 HydrophobicContact CG1-CE1 4.19Å; V226-F230 HydrophobicContact CG1-CG 3.86Å; V226-F230 HydrophobicContact CG2-CE1 4.43Å; V226-F230 HydrophobicContact CG2-CZ 4.42Å; V226-F230 WeakPolarHBondContact O-CB 3.46Å; V226-F230 PolarHBondContact O-N 2.96Å; F230-P260 HydrophobicContact CB-CG 3.84Å
231	K	92.4	Very high	95.3	Very high	75 Å²	75	15.7 Å²	15.7	33%	0.326	8%	0.078	S	C	.	.			trans	-96.1	143.3	175.8	-56.2	-56.2	-167.1	-166.1	0	110.3	A227 Q229 E233 N234 M235	A227-K231 WeakPolarHBondContact O-CE 3.42Å; A227-K231 PolarHBondContact O-NZ 2.63Å; Q229-K231 PolarHBondContact O-N 2.98Å; K231-E233 VanDerWaalsContact CB-CD 3.48Å; K231-E233 HydrophobicContact CB-CG 4.2Å; K231-E233 WeakPolarHBondContact CB-OE2 3.43Å; K231-E233 PolarHBondContact O-N 3.28Å; K231-N234 WeakPolarHBondContact O-CA 3.18Å; K231-N234 WeakPolarHBondContact O-CB 3.45Å; K231-N234 PolarHBondContact O-N 2.89Å; K231-M235 WeakPolarHBondContact O-CG 3.28Å; K231-M235 PolarHBondContact O-N 2.95Å
232	P	93.7	Very high	95.3	Very high	18 Å²	18	14.6 Å²	14.6	12%	0.117	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-57	-36.2	-175.5	21.9	-32.4	0	0	0	113.5	N58 L60 N234 M235 T258	N58-P232 WeakPolarHBondContact O-CB 3.17Å; N58-P232 VanDerWaalsContact O-CG 3.24Å; N58-P232 WeakPolarHBondContact O-CG 3.39Å; L60-P232 WeakPolarHBondContact CA-O 3.44Å; L60-P232 HydrophobicContact CB-CB 4.1Å; P232-N234 PolarHBondContact O-N 3.48Å; P232-M235 HydrophobicContact CB-CE 4.49Å; P232-M235 PolarHBondContact O-N 2.89Å; P232-M235 VanDerWaalsContact O-N 3.13Å; P232-T258 HydrophobicContact CB-CG2 4.12Å
233	E	92	Very high	95.2	Very high	99 Å²	99	18.4 Å²	18.4	46%	0.463	9%	0.089	S	C	.	.	G	3₁₀ helix	trans	-62.4	-26.8	174.4	61.2	-89.4	-152.4	0	0	113.6	R61 K231 M235	R61-E233 PolarHBondContact NH2-O 3.41Å; K231-E233 VanDerWaalsContact CB-CD 3.48Å; K231-E233 HydrophobicContact CB-CG 4.2Å; K231-E233 WeakPolarHBondContact CB-OE2 3.43Å; K231-E233 PolarHBondContact O-N 3.28Å; E233-M235 VanDerWaalsContact C-N 3.34Å
234	N	93.8	Very high	95.3	Very high	42 Å²	42	18.8 Å²	18.8	23%	0.225	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-91.3	6	178.1	-72	-17.8	0	0	0	113.1	I78 K79 Q229 K231 P232 L440	I78-N234 WeakPolarHBondContact CA-O 3.41Å; K79-N234 HydrophobicContact CB-CB 4.1Å; K79-N234 PolarHBondContact N-O 3.5Å; Q229-N234 PolarHBondContact O-ND2 2.82Å; K231-N234 WeakPolarHBondContact O-CA 3.18Å; K231-N234 WeakPolarHBondContact O-CB 3.45Å; K231-N234 PolarHBondContact O-N 2.89Å; P232-N234 PolarHBondContact O-N 3.48Å; N234-L440 WeakPolarHBondContact O-CD1 3.39Å
235	M	96.7	Very high	95.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146	-175	-67.6	-169.9	-76.4	0	0	112.2	L60 V76 I77 I78 V155 L156 K231 P232 E233	L60-M235 HydrophobicContact CD1-CB 3.44Å; L60-M235 VanDerWaalsContact CD1-CB 3.44Å; V76-M235 HydrophobicContact CG1-CB 4.46Å; V76-M235 HydrophobicContact CG1-SD 4.32Å; I77-M235 WeakPolarHBondContact O-CA 3.47Å; I78-M235 HydrophobicContact CB-CG 4.37Å; I78-M235 HydrophobicContact CD1-SD 4.24Å; I78-M235 HydrophobicContact CG1-CG 4.01Å; I78-M235 HydrophobicContact CG1-SD 4.27Å; I78-M235 HydrophobicContact CG2-CG 4Å; V155-M235 HydrophobicContact CG1-SD 3.82Å; L156-M235 HydrophobicContact CD2-CE 4.22Å; K231-M235 WeakPolarHBondContact O-CG 3.28Å; K231-M235 PolarHBondContact O-N 2.95Å; P232-M235 HydrophobicContact CB-CE 4.49Å; P232-M235 PolarHBondContact O-N 2.89Å; P232-M235 VanDerWaalsContact O-N 3.13Å; E233-M235 VanDerWaalsContact C-N 3.34Å
236	V	98	Very high	95.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.8	166.7	-178.9	0	0	0	0	108.2	R61 A63 V76 I77 V439 L440	R61-V236 HydrophobicContact CB-CG1 4.33Å; R61-V236 HydrophobicContact CB-CG2 4.06Å; R61-V236 CarbonylContact O-C 3.57Å; R61-V236 WeakPolarHBondContact O-CA 3.34Å; A63-V236 HydrophobicContact CB-CG1 4.41Å; V76-V236 WeakPolarHBondContact CA-O 3.47Å; I77-V236 HydrophobicContact CG2-CB 3.74Å; I77-V236 HydrophobicContact CG2-CG2 4.37Å; I77-V236 PolarHBondContact N-O 2.83Å; I77-V236 PolarHBondContact O-N 3.31Å; V236-V439 HydrophobicContact CG1-CB 4.13Å; V236-V439 HydrophobicContact CG1-CG1 3.82Å; V236-V439 HydrophobicContact CG2-CB 4.42Å; V236-V439 HydrophobicContact CG2-CG1 3.95Å; V236-L440 HydrophobicContact CG2-CB 4.04Å; V236-L440 HydrophobicContact CG2-CD1 3.97Å
237	V	98.2	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.9	164.5	-173	0	0	0	0	107.7	L60 R61 V62 A63 I74 G75 V76 V251 F255	L60-V237 HydrophobicContact CD1-CG2 4.28Å; L60-V237 HydrophobicContact CD2-CG2 4.16Å; L60-V237 HydrophobicContact CG-CG2 4.48Å; R61-V237 PolarHBondContact O-N 3.05Å; V62-V237 CarbonylContact C-O 3.47Å; V62-V237 VanDerWaalsContact CA-O 3.29Å; V62-V237 WeakPolarHBondContact CA-O 3.16Å; A63-V237 PolarHBondContact N-O 3.33Å; I74-V237 HydrophobicContact CG2-CG1 4.31Å; G75-V237 WeakPolarHBondContact O-CA 3.38Å; V76-V237 HydrophobicContact CG2-CG2 4.24Å; V237-V251 HydrophobicContact CB-CG2 4.08Å; V237-V251 HydrophobicContact CG1-CG2 3.73Å; V237-V251 HydrophobicContact CG2-CG1 4.1Å; V237-V251 HydrophobicContact CG2-CG2 4.28Å; V237-F255 HydrophobicContact CG2-CD1 4.47Å; V237-F255 HydrophobicContact CG2-CE1 4.22Å; V237-F255 HydrophobicContact CG2-CE2 4.32Å; V237-F255 HydrophobicContact CG2-CZ 4.15Å
238	A	98.3	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.4	178	0	0	0	0	0	111.4	A63 I74 G75 F432 I435 A436	A63-A238 CarbonylContact O-C 3.56Å; A63-A238 WeakPolarHBondContact O-CA 3.32Å; I74-A238 WeakPolarHBondContact CA-O 3.41Å; G75-A238 PolarHBondContact N-O 2.7Å; G75-A238 PolarHBondContact O-N 2.92Å; A238-F432 HydrophobicContact CB-CD2 3.73Å; A238-F432 HydrophobicContact CB-CE2 3.71Å; A238-F432 WeakPolarHBondContact O-CD2 3.16Å; A238-F432 WeakPolarHBondContact O-CE2 3.1Å; A238-I435 HydrophobicContact CB-CB 4.44Å; A238-I435 HydrophobicContact CB-CG2 3.93Å; A238-A436 HydrophobicContact CB-CB 3.84Å
239	G	97.6	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.1	179.5	0	0	0	0	0	114	A63 S64 Q65 A73	A63-G239 PolarHBondContact O-N 3.5Å; S64-G239 CarbonylContact C-O 3.05Å; S64-G239 WeakPolarHBondContact CA-O 3.38Å; S64-G239 VanDerWaalsContact CB-O 3.25Å; S64-G239 WeakPolarHBondContact CB-O 3.46Å; Q65-G239 PolarHBondContact N-O 2.8Å; A73-G239 CarbonylContact O-C 3.39Å; A73-G239 VanDerWaalsContact O-CA 3.31Å; A73-G239 WeakPolarHBondContact O-CA 3.28Å
240	V	97.2	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.2	176.3	-179.9	0	0	0	0	110.3	Q65 K67 C72 A73 R428 C431 F432 I435	Q65-V240 WeakPolarHBondContact O-CA 3.03Å; K67-V240 HydrophobicContact CB-CG1 4.4Å; K67-V240 HydrophobicContact CD-CG1 3.88Å; K67-V240 HydrophobicContact CG-CG1 4.03Å; C72-V240 CarbonylContact C-O 3.54Å; C72-V240 WeakPolarHBondContact CA-O 3.35Å; C72-V240 WeakPolarHBondContact CB-O 3.49Å; A73-V240 PolarHBondContact N-O 3.24Å; A73-V240 PolarHBondContact O-N 2.97Å; V240-R428 HydrophobicContact CG1-CB 4.34Å; V240-R428 HydrophobicContact CG1-CG 4.08Å; V240-C431 HydrophobicContact CG1-CB 4.13Å; V240-C431 HydrophobicContact CG2-CB 3.88Å; V240-F432 HydrophobicContact CG2-CB 4.01Å; V240-I435 HydrophobicContact CG2-CD1 3.47Å; V240-I435 VanDerWaalsContact CG2-CD1 3.47Å
241	G	95.6	Very high	96.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	82.5	28.5	-176.8	0	0	0	0	0	113.4	Q65	Q65-G241 PolarHBondContact O-N 3.14Å
242	I	95.1	Very high	96.6	Very high	9 Å²	9	29.9 Å²	29.9	5%	0.046	15%	0.151	C	C	.	.	S	Bend	trans	-145.3	147.6	-172.3	-25.3	176	0	0	0	109.9	N66 C72 I74 M144 L247	N66-I242 WeakPolarHBondContact CA-O 3.47Å; N66-I242 VanDerWaalsContact CB-O 3.29Å; N66-I242 WeakPolarHBondContact CB-O 3.23Å; N66-I242 PolarHBondContact OD1-N 2.97Å; C72-I242 HydrophobicContact CB-CD1 3.79Å; C72-I242 HydrophobicContact CB-CG1 3.53Å; I74-I242 HydrophobicContact CD1-CD1 3.76Å; I74-I242 HydrophobicContact CG1-CD1 3.31Å; M144-I242 HydrophobicContact CB-CG2 4.22Å; M144-I242 HydrophobicContact CE-CG2 4.11Å; M144-I242 HydrophobicContact CG-CD1 4.06Å; M144-I242 HydrophobicContact CG-CG2 3.64Å; I242-L247 HydrophobicContact CD1-CD1 4.49Å
243	E	95.1	Very high	96.7	Very high	79 Å²	79	35 Å²	35	37%	0.369	17%	0.171	S	C	.	.			trans	-72.7	136.7	172.5	-163.3	-83.2	119.4	0	0	110.7	D245 A246 L247	E243-D245 WeakPolarHBondContact OE1-CB 3.43Å; E243-D245 PolarHBondContact OE1-N 2.89Å; E243-A246 HydrophobicContact CB-CB 4.28Å; E243-A246 PolarHBondContact O-N 2.8Å; E243-A246 WeakPolarHBondContact OE2-CB 3.45Å; E243-A246 PolarHBondContact OE2-N 2.83Å; E243-L247 PolarHBondContact O-N 2.83Å; E243-L247 VanDerWaalsContact O-N 3.11Å
244	H	97.4	Very high	96.8	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.037	16%	0.155	C	C	.	.	H	α-helix	trans	-66	-47	-170	-173.5	70.4	0	0	0	112.6	K52 T54 S64 A246 L247 V248	K52-H244 HydrophobicContact CB-CB 4.07Å; K52-H244 HydrophobicContact CD-CB 3.69Å; K52-H244 PolarHBondContact O-CE1 3.2Å; K52-H244 VanDerWaalsContact O-CE1 3.31Å; T54-H244 PolarHBondContact OG1-NE2 3.48Å; S64-H244 VanDerWaalsContact OG-CA 3.25Å; S64-H244 WeakPolarHBondContact OG-CA 3.38Å; S64-H244 WeakPolarHBondContact OG-CB 3.4Å; S64-H244 PolarHBondContact OG-ND1 3.08Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 3.21Å; H244-L247 PolarHBondContact O-N 2.91Å; H244-L247 VanDerWaalsContact O-N 3.12Å; H244-V248 WeakPolarHBondContact O-CG2 3.42Å; H244-V248 PolarHBondContact O-N 2.84Å
245	D	97.5	Very high	96.9	Very high	93 Å²	93	29.9 Å²	29.9	50%	0.497	15%	0.145	S	C	.	.	H	α-helix	trans	-66.6	-36.2	-176.5	-64.3	-13.5	0	0	0	110.6	E243 K249	E243-D245 WeakPolarHBondContact OE1-CB 3.43Å; E243-D245 PolarHBondContact OE1-N 2.89Å; D245-K249 WeakPolarHBondContact O-CB 3.29Å; D245-K249 WeakPolarHBondContact O-CD 3.29Å; D245-K249 VanDerWaalsContact O-CG 3.23Å; D245-K249 WeakPolarHBondContact O-CG 3.42Å; D245-K249 PolarHBondContact O-N 3.34Å
246	A	97.2	Very high	96.4	Very high	32 Å²	32	33.5 Å²	33.5	26%	0.264	16%	0.163	S	C	.	.	H	α-helix	trans	-61.7	-44	172.4	0	0	0	0	0	112.2	M144 E243 H244 S250	M144-A246 HydrophobicContact CE-CB 3.61Å; M144-A246 WeakPolarHBondContact CE-O 3.19Å; E243-A246 HydrophobicContact CB-CB 4.28Å; E243-A246 PolarHBondContact O-N 2.8Å; E243-A246 WeakPolarHBondContact OE2-CB 3.45Å; E243-A246 PolarHBondContact OE2-N 2.83Å; H244-A246 VanDerWaalsContact C-N 3.28Å; H244-A246 PolarHBondContact O-N 3.21Å; A246-S250 PolarHBondContact O-N 3.31Å; A246-S250 VanDerWaalsContact O-N 3.13Å
247	L	98.1	Very high	95.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65.4	-47.3	176.4	-177.8	64.6	0	0	0	111.2	V62 I74 M144 I242 E243 H244 K249 S250 V251	V62-L247 HydrophobicContact CG1-CD2 3.81Å; V62-L247 HydrophobicContact CG1-CG 3.89Å; I74-L247 HydrophobicContact CG2-CD1 4.25Å; M144-L247 HydrophobicContact SD-CD1 4.34Å; I242-L247 HydrophobicContact CD1-CD1 4.49Å; E243-L247 PolarHBondContact O-N 2.83Å; E243-L247 VanDerWaalsContact O-N 3.11Å; H244-L247 PolarHBondContact O-N 2.91Å; H244-L247 VanDerWaalsContact O-N 3.12Å; L247-K249 VanDerWaalsContact C-N 3.33Å; L247-K249 PolarHBondContact O-N 3.19Å; L247-S250 PolarHBondContact O-N 3.48Å; L247-S250 VanDerWaalsContact O-N 3.11Å; L247-V251 HydrophobicContact CD1-CG2 4.15Å; L247-V251 HydrophobicContact CG-CG2 4.25Å; L247-V251 WeakPolarHBondContact O-CG2 3.38Å; L247-V251 PolarHBondContact O-N 2.91Å
248	V	98.1	Very high	94.9	Very high	15 Å²	15	37.6 Å²	37.6	9%	0.091	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-48.3	177.8	170.3	0	0	0	0	110.7	T54 L56 V62 H244 S250 V251 E252	T54-V248 HydrophobicContact CG2-CG1 4.4Å; T54-V248 HydrophobicContact CG2-CG2 4.36Å; L56-V248 HydrophobicContact CD2-CG1 4.22Å; V62-V248 HydrophobicContact CB-CG2 4.16Å; V62-V248 HydrophobicContact CG1-CG2 3.92Å; H244-V248 WeakPolarHBondContact O-CG2 3.42Å; H244-V248 PolarHBondContact O-N 2.84Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.3Å; V248-V251 PolarHBondContact O-N 3.37Å; V248-E252 HydrophobicContact CG1-CG 4.34Å; V248-E252 WeakPolarHBondContact O-CB 3.43Å; V248-E252 WeakPolarHBondContact O-CG 3.43Å; V248-E252 PolarHBondContact O-N 2.85Å
249	K	97.4	Very high	94.3	Very high	138 Å²	138	40.3 Å²	40.3	60%	0.6	21%	0.206	S	C	*	.	H	α-helix	trans	-59.5	-41.1	177.2	-74.3	167.7	-172.6	166	0	112.8	D245 L247 K253	D245-K249 WeakPolarHBondContact O-CB 3.29Å; D245-K249 WeakPolarHBondContact O-CD 3.29Å; D245-K249 VanDerWaalsContact O-CG 3.23Å; D245-K249 WeakPolarHBondContact O-CG 3.42Å; D245-K249 PolarHBondContact O-N 3.34Å; L247-K249 VanDerWaalsContact C-N 3.33Å; L247-K249 PolarHBondContact O-N 3.19Å; K249-K253 WeakPolarHBondContact O-CB 3.11Å; K249-K253 PolarHBondContact O-N 2.79Å
250	S	97.5	Very high	93.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-69.3	-40.8	178.7	-160.3	0	0	0	0	111.4	D145 T148 A246 L247 V248 K253 Y254	D145-S250 WeakPolarHBondContact CA-OG 3.18Å; D145-S250 PolarHBondContact OD1-OG 2.95Å; T148-S250 WeakPolarHBondContact CB-OG 2.95Å; A246-S250 PolarHBondContact O-N 3.31Å; A246-S250 VanDerWaalsContact O-N 3.13Å; L247-S250 PolarHBondContact O-N 3.48Å; L247-S250 VanDerWaalsContact O-N 3.11Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 PolarHBondContact O-N 3.3Å; S250-K253 WeakPolarHBondContact O-CB 3.35Å; S250-K253 PolarHBondContact O-N 3.31Å; S250-Y254 WeakPolarHBondContact O-CD2 3.31Å; S250-Y254 PolarHBondContact O-N 3.38Å; S250-Y254 WeakPolarHBondContact OG-CE2 3.41Å
251	V	97.6	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-45.7	175	176.3	0	0	0	0	111.1	L56 L60 V62 T148 V237 L247 V248 K253 Y254 F255	L56-V251 HydrophobicContact CD1-CG1 3.96Å; L60-V251 HydrophobicContact CD2-CG1 3.72Å; V62-V251 HydrophobicContact CG1-CG2 4.25Å; V62-V251 HydrophobicContact CG2-CB 3.99Å; V62-V251 HydrophobicContact CG2-CG1 3.69Å; V62-V251 HydrophobicContact CG2-CG2 4.17Å; T148-V251 HydrophobicContact CG2-CG2 3.98Å; V237-V251 HydrophobicContact CB-CG2 4.08Å; V237-V251 HydrophobicContact CG1-CG2 3.73Å; V237-V251 HydrophobicContact CG2-CG1 4.1Å; V237-V251 HydrophobicContact CG2-CG2 4.28Å; L247-V251 HydrophobicContact CD1-CG2 4.15Å; L247-V251 HydrophobicContact CG-CG2 4.25Å; L247-V251 WeakPolarHBondContact O-CG2 3.38Å; L247-V251 PolarHBondContact O-N 2.91Å; V248-V251 PolarHBondContact O-N 3.37Å; V251-K253 PolarHBondContact O-N 3.16Å; V251-Y254 PolarHBondContact O-N 3.3Å; V251-F255 HydrophobicContact CB-CD2 4.46Å; V251-F255 HydrophobicContact CG1-CB 3.99Å; V251-F255 HydrophobicContact CG1-CD2 3.9Å; V251-F255 HydrophobicContact CG1-CG 4.07Å; V251-F255 WeakPolarHBondContact O-CA 3.15Å; V251-F255 VanDerWaalsContact O-CB 3.31Å; V251-F255 WeakPolarHBondContact O-CB 3.31Å; V251-F255 PolarHBondContact O-N 3.33Å
252	E	96.1	Very high	93.1	Very high	92 Å²	92	42 Å²	42	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-58.5	-38.2	175.2	-75	-176.8	142.7	0	0	111.9	L56 V248 I256	L56-E252 HydrophobicContact CD1-CG 4.14Å; L56-E252 HydrophobicContact CD2-CG 3.79Å; V248-E252 HydrophobicContact CG1-CG 4.34Å; V248-E252 WeakPolarHBondContact O-CB 3.43Å; V248-E252 WeakPolarHBondContact O-CG 3.43Å; V248-E252 PolarHBondContact O-N 2.85Å; E252-I256 HydrophobicContact CB-CD1 4.35Å; E252-I256 HydrophobicContact CG-CD1 4.37Å; E252-I256 VanDerWaalsContact O-CB 3.3Å; E252-I256 WeakPolarHBondContact O-CB 3.29Å; E252-I256 WeakPolarHBondContact O-CG1 3.35Å
253	K	95.5	Very high	92.8	Very high	126 Å²	126	42.8 Å²	42.8	55%	0.548	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-41.2	178.7	-178.1	-177.2	176	-167.5	0	113.2	D145 K249 S250 V251	D145-K253 IonicContact OD2-NZ 3.79Å; K249-K253 WeakPolarHBondContact O-CB 3.11Å; K249-K253 PolarHBondContact O-N 2.79Å; S250-K253 WeakPolarHBondContact O-CB 3.35Å; S250-K253 PolarHBondContact O-N 3.31Å; V251-K253 PolarHBondContact O-N 3.16Å
254	Y	95.8	Very high	92.5	Very high	33 Å²	33	47 Å²	47	13%	0.129	24%	0.235	C	C	.	.	H	α-helix	trans	-107.1	-29.7	-168	-64	-57.2	0	0	0	114.6	D145 T148 H149 S152 S250 V251	D145-Y254 VanDerWaalsContact O-CE2 3.23Å; D145-Y254 WeakPolarHBondContact O-CE2 2.88Å; D145-Y254 VanDerWaalsContact OD1-CE2 3.32Å; D145-Y254 WeakPolarHBondContact OD1-CE2 3.24Å; D145-Y254 PolarHBondContact OD2-OH 3.04Å; T148-Y254 HydrophobicContact CG2-CD2 4.29Å; H149-Y254 HydrophobicContact CB-CD1 3.86Å; H149-Y254 HydrophobicContact CB-CD2 3.83Å; H149-Y254 HydrophobicContact CB-CE1 3.73Å; H149-Y254 HydrophobicContact CB-CE2 3.69Å; H149-Y254 HydrophobicContact CB-CG 3.92Å; H149-Y254 AromaticContact CD2-CD1 3.28Å; H149-Y254 WeakPolarHBondContact CD2-CD1 3.3Å; H149-Y254 AromaticContact CD2-CE1 3.55Å; H149-Y254 AromaticContact CD2-CG 3.94Å; H149-Y254 AromaticContact CE1-CE1 3.91Å; H149-Y254 AromaticContact CG-CD1 3.53Å; H149-Y254 AromaticContact CG-CE1 3.36Å; H149-Y254 AromaticContact CG-CZ 3.77Å; H149-Y254 AromaticContact ND1-CE1 3.61Å; H149-Y254 AromaticContact NE2-CD1 3.83Å; H149-Y254 AromaticContact NE2-CE1 3.87Å; S152-Y254 WeakPolarHBondContact OG-CB 3.37Å; S250-Y254 WeakPolarHBondContact O-CD2 3.31Å; S250-Y254 PolarHBondContact O-N 3.38Å; S250-Y254 WeakPolarHBondContact OG-CE2 3.41Å; V251-Y254 PolarHBondContact O-N 3.3Å
255	F	94.5	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-87.4	-9.9	176.3	-76.3	-103.7	0	0	0	112.6	L60 V76 T148 L151 L156 V237 V251 P257 T258	L60-F255 HydrophobicContact CD2-CB 3.79Å; L60-F255 HydrophobicContact CD2-CD1 4.01Å; L60-F255 HydrophobicContact CD2-CG 4.03Å; V76-F255 HydrophobicContact CG2-CE1 3.91Å; V76-F255 HydrophobicContact CG2-CZ 3.56Å; T148-F255 HydrophobicContact CG2-CE2 4.24Å; L151-F255 HydrophobicContact CB-CZ 4.38Å; L156-F255 HydrophobicContact CD1-CB 4.13Å; L156-F255 HydrophobicContact CD1-CD1 3.65Å; L156-F255 HydrophobicContact CD1-CE1 4.32Å; L156-F255 HydrophobicContact CD1-CG 4.11Å; L156-F255 HydrophobicContact CG-CD1 4.18Å; L156-F255 HydrophobicContact CG-CE1 4.41Å; V237-F255 HydrophobicContact CG2-CD1 4.47Å; V237-F255 HydrophobicContact CG2-CE1 4.22Å; V237-F255 HydrophobicContact CG2-CE2 4.32Å; V237-F255 HydrophobicContact CG2-CZ 4.15Å; V251-F255 HydrophobicContact CB-CD2 4.46Å; V251-F255 HydrophobicContact CG1-CB 3.99Å; V251-F255 HydrophobicContact CG1-CD2 3.9Å; V251-F255 HydrophobicContact CG1-CG 4.07Å; V251-F255 WeakPolarHBondContact O-CA 3.15Å; V251-F255 VanDerWaalsContact O-CB 3.31Å; V251-F255 WeakPolarHBondContact O-CB 3.31Å; V251-F255 PolarHBondContact O-N 3.33Å; F255-P257 CarbonylContact O-C 3.55Å; F255-P257 VanDerWaalsContact O-O 3.12Å; F255-T258 HydrophobicContact CB-CG2 4.36Å; F255-T258 WeakPolarHBondContact O-CA 3.26Å; F255-T258 WeakPolarHBondContact O-CG2 3.2Å; F255-T258 PolarHBondContact O-N 3.43Å
256	I	87.2	Confident	91.9	Very high	75 Å²	75	53.9 Å²	53.9	39%	0.385	26%	0.261	S	S	.	.	S	Bend	trans	-104.5	114	174	-54.5	-178.8	0	0	0	108.3	E252	E252-I256 HydrophobicContact CB-CD1 4.35Å; E252-I256 HydrophobicContact CG-CD1 4.37Å; E252-I256 VanDerWaalsContact O-CB 3.3Å; E252-I256 WeakPolarHBondContact O-CB 3.29Å; E252-I256 WeakPolarHBondContact O-CG1 3.35Å
257	P	83.1	Confident	91.6	Very high	72 Å²	72	53 Å²	53	47%	0.468	25%	0.254	S	S	.	.	S	Bend	cis	-78.2	136.2	11.3	28.7	-33.5	0	0	0	114.4	R157 F255 V259	R157-P257 PolarHBondContact NH1-O 3.25Å; R157-P257 VanDerWaalsContact NH1-O 3.1Å; F255-P257 CarbonylContact O-C 3.55Å; F255-P257 VanDerWaalsContact O-O 3.12Å; P257-V259 PolarHBondContact O-N 3.01Å
258	T	81.4	Confident	91.1	Very high	15 Å²	15	53.8 Å²	53.8	9%	0.092	26%	0.26	C	S	.	.			trans	-82.2	-6.7	-172.3	34	0	0	0	0	115.6	N58 L60 L156 P232 F255 P260	N58-T258 WeakPolarHBondContact ND2-CG2 3.22Å; N58-T258 PolarHBondContact ND2-OG1 2.9Å; L60-T258 HydrophobicContact CD2-CG2 4.31Å; L156-T258 VanDerWaalsContact CD2-O 3.31Å; L156-T258 WeakPolarHBondContact CD2-O 3.34Å; P232-T258 HydrophobicContact CB-CG2 4.12Å; F255-T258 HydrophobicContact CB-CG2 4.36Å; F255-T258 WeakPolarHBondContact O-CA 3.26Å; F255-T258 WeakPolarHBondContact O-CG2 3.2Å; F255-T258 PolarHBondContact O-N 3.43Å; T258-P260 WeakPolarHBondContact O-CD 3.43Å
259	V	84.7	Confident	90.6	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.339	29%	0.289	S	S	.	.	S	Bend	trans	-81.5	126.6	-179.6	179.9	0	0	0	0	108.4	R157 P257 Y264	R157-V259 PolarHBondContact NH1-O 3.01Å; P257-V259 PolarHBondContact O-N 3.01Å; V259-Y264 HydrophobicContact CG1-CE1 4.45Å; V259-Y264 HydrophobicContact CG1-CE2 4.19Å
260	P	86.8	Confident	90.1	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.019	29%	0.289	C	S	.	.			trans	-58.3	139.5	174.2	-23.5	32.1	0	0	0	111.5	L156 V226 F230 T258 V262 S263	L156-P260 HydrophobicContact CD2-CG 4.07Å; L156-P260 CarbonylContact O-C 3.52Å; L156-P260 VanDerWaalsContact O-CA 3.22Å; L156-P260 WeakPolarHBondContact O-CA 3.45Å; V226-P260 HydrophobicContact CG1-CB 4.19Å; V226-P260 HydrophobicContact CG1-CG 4.38Å; F230-P260 HydrophobicContact CB-CG 3.84Å; T258-P260 WeakPolarHBondContact O-CD 3.43Å; P260-V262 HydrophobicContact CB-CG2 3.93Å; P260-V262 PolarHBondContact O-N 2.79Å; P260-S263 WeakPolarHBondContact O-CB 3.31Å; P260-S263 PolarHBondContact O-N 3.46Å; P260-S263 PolarHBondContact O-OG 3.31Å
261	N	90.2	Very high	89.6	Confident	32 Å²	32	58.6 Å²	58.6	17%	0.171	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-55	-38.3	179	64	-20.5	0	0	0	112.4	L156 R157 A158 S263 Y264	L156-N261 PolarHBondContact O-N 3.38Å; L156-N261 PolarHBondContact O-OD1 2.97Å; R157-N261 WeakPolarHBondContact CA-ND2 3.26Å; R157-N261 PolarHBondContact O-ND2 3.5Å; R157-N261 VanDerWaalsContact O-ND2 3.13Å; A158-N261 PolarHBondContact O-ND2 3.1Å; A158-N261 PolarHBondContact O-OD1 3.49Å; N261-S263 PolarHBondContact O-N 3.24Å; N261-S263 VanDerWaalsContact O-N 3.11Å; N261-Y264 WeakPolarHBondContact O-CD2 3.24Å; N261-Y264 PolarHBondContact O-N 3.48Å
262	V	89.7	Confident	89	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.006	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-60.7	-21.1	176	-61.5	0	0	0	0	113.2	A158 I160 I223 V226 P260 Y264 E265 A268	A158-V262 WeakPolarHBondContact O-CG1 3.32Å; I160-V262 HydrophobicContact CD1-CG1 4.21Å; I223-V262 HydrophobicContact CG1-CB 4.19Å; I223-V262 HydrophobicContact CG1-CG1 4.3Å; I223-V262 HydrophobicContact CG2-CB 4.12Å; I223-V262 WeakPolarHBondContact CG2-O 3.48Å; V226-V262 HydrophobicContact CB-CG2 3.94Å; V226-V262 HydrophobicContact CG1-CG2 3.43Å; V226-V262 VanDerWaalsContact CG1-CG2 3.43Å; P260-V262 HydrophobicContact CB-CG2 3.93Å; P260-V262 PolarHBondContact O-N 2.79Å; V262-Y264 PolarHBondContact O-N 2.88Å; V262-E265 WeakPolarHBondContact O-CB 3.29Å; V262-E265 PolarHBondContact O-N 3.02Å; V262-E265 VanDerWaalsContact O-N 3.13Å; V262-A268 WeakPolarHBondContact O-CB 3.11Å
263	S	88.8	Confident	88.2	Confident	27 Å²	27	60.5 Å²	60.5	19%	0.189	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-69.4	-15.9	176.8	-49.7	0	0	0	0	112.9	P260 N261 A268	P260-S263 WeakPolarHBondContact O-CB 3.31Å; P260-S263 PolarHBondContact O-N 3.46Å; P260-S263 PolarHBondContact O-OG 3.31Å; N261-S263 PolarHBondContact O-N 3.24Å; N261-S263 VanDerWaalsContact O-N 3.11Å; S263-A268 WeakPolarHBondContact O-CB 3.1Å
264	Y	89.2	Confident	87.2	Confident	166 Å²	166	57.8 Å²	57.8	65%	0.651	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-89.5	-7	175	-57.2	-68.2	0	0	0	112.7	V259 N261 V262	V259-Y264 HydrophobicContact CG1-CE1 4.45Å; V259-Y264 HydrophobicContact CG1-CE2 4.19Å; N261-Y264 WeakPolarHBondContact O-CD2 3.24Å; N261-Y264 PolarHBondContact O-N 3.48Å; V262-Y264 PolarHBondContact O-N 2.88Å
265	E	91.8	Very high	86.3	Confident	58 Å²	58	57.6 Å²	57.6	27%	0.271	32%	0.32	S	S	.	.	S	Bend	trans	-74.3	152.8	177.1	-65.2	-164.6	-138.5	0	0	111.8	R219 I223 V262 A267 A268	R219-E265 IonicContact CZ-OE1 3.34Å; R219-E265 IonicContact CZ-OE2 2.71Å; R219-E265 IonicContact NH1-OE1 2.69Å; R219-E265 IonicContact NH1-OE2 3.54Å; R219-E265 PolarHBondContact NH1-OE2 3.29Å; R219-E265 VanDerWaalsContact NH2-CD 3.34Å; R219-E265 IonicContact NH2-OE1 3.14Å; R219-E265 PolarHBondContact NH2-OE1 3.27Å; R219-E265 IonicContact NH2-OE2 2.96Å; R219-E265 PolarHBondContact NH2-OE2 2.98Å; R219-E265 VanDerWaalsContact NH2-OE2 3.14Å; I223-E265 WeakPolarHBondContact CD1-OE2 3.46Å; I223-E265 HydrophobicContact CG2-CB 4.42Å; V262-E265 WeakPolarHBondContact O-CB 3.29Å; V262-E265 PolarHBondContact O-N 3.02Å; V262-E265 VanDerWaalsContact O-N 3.13Å; E265-A267 PolarHBondContact O-N 2.85Å; E265-A267 VanDerWaalsContact O-N 3.16Å; E265-A268 WeakPolarHBondContact O-CB 3.27Å; E265-A268 PolarHBondContact O-N 2.83Å
266	K	90.3	Very high	85.4	Confident	189 Å²	189	63.9 Å²	63.9	82%	0.822	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-54.6	-38.7	-179.9	-173	-177.9	177.5	-172.4	0	112.1	A268 S269	K266-A268 PolarHBondContact O-N 2.68Å; K266-S269 WeakPolarHBondContact O-CB 3.47Å; K266-S269 PolarHBondContact O-N 3.19Å; K266-S269 VanDerWaalsContact O-N 3.08Å; K266-S269 PolarHBondContact O-OG 3.24Å
267	A	89.3	Confident	85	Confident	14 Å²	14	63.7 Å²	63.7	12%	0.116	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-59.8	-30.5	179.1	0	0	0	0	0	113.1	E220 I223 K224 E265 S269	E220-A267 HydrophobicContact CB-CB 3.96Å; E220-A267 HydrophobicContact CG-CB 4.13Å; I223-A267 HydrophobicContact CB-CB 4.37Å; I223-A267 HydrophobicContact CG2-CB 3.96Å; K224-A267 WeakPolarHBondContact CE-O 3.37Å; K224-A267 VanDerWaalsContact CG-O 3.24Å; K224-A267 WeakPolarHBondContact CG-O 3.36Å; E265-A267 PolarHBondContact O-N 2.85Å; E265-A267 VanDerWaalsContact O-N 3.16Å; A267-S269 PolarHBondContact O-N 3.41Å
268	A	89	Confident	85.3	Confident	15 Å²	15	65.2 Å²	65.2	12%	0.124	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-77.8	-1.1	178.7	0	0	0	0	0	114.1	I223 A227 V262 S263 E265 K266 V271	I223-A268 HydrophobicContact CG2-CB 4.13Å; A227-A268 HydrophobicContact CB-CB 3.62Å; V262-A268 WeakPolarHBondContact O-CB 3.11Å; S263-A268 WeakPolarHBondContact O-CB 3.1Å; E265-A268 WeakPolarHBondContact O-CB 3.27Å; E265-A268 PolarHBondContact O-N 2.83Å; K266-A268 PolarHBondContact O-N 2.68Å; A268-V271 HydrophobicContact CB-CG2 4.44Å; A268-V271 WeakPolarHBondContact O-CG2 3.33Å
269	S	87.8	Confident	85.8	Confident	100 Å²	100	64.9 Å²	64.9	70%	0.699	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-80	-22.4	175.2	64.1	0	0	0	0	113.6	K266 A267	K266-S269 WeakPolarHBondContact O-CB 3.47Å; K266-S269 PolarHBondContact O-N 3.19Å; K266-S269 VanDerWaalsContact O-N 3.08Å; K266-S269 PolarHBondContact O-OG 3.24Å; A267-S269 PolarHBondContact O-N 3.41Å
270	D	86.6	Confident	86.2	Confident	112 Å²	112	68.3 Å²	68.3	60%	0.599	38%	0.379	S	S	*	.	S	Bend	trans	-117.1	59	-178.8	-177.7	40.5	0	0	0	110.1	K224	K224-D270 WeakPolarHBondContact CE-O 3.47Å; K224-D270 IonicContact NZ-OD2 2.99Å; K224-D270 PolarHBondContact NZ-OD2 3.28Å
271	V	86.8	Confident	86.6	Confident	44 Å²	44	69.3 Å²	69.3	27%	0.267	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-86.6	123.1	-178.3	173.5	0	0	0	0	109.3	A227 A228 A268	A227-V271 HydrophobicContact CB-CG2 3.81Å; A228-V271 HydrophobicContact CB-CG1 3.42Å; A228-V271 VanDerWaalsContact CB-CG1 3.42Å; A268-V271 HydrophobicContact CB-CG2 4.44Å; A268-V271 WeakPolarHBondContact O-CG2 3.33Å
272	P	84.4	Confident	86.8	Confident	40 Å²	40	69.4 Å²	69.4	26%	0.26	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-57.1	143.9	172.9	-22.1	32.3	0	0	0	111	N87 F88	N87-P272 HydrophobicContact CB-CB 3.78Å; F88-P272 HydrophobicContact CE1-CG 4.02Å; F88-P272 HydrophobicContact CZ-CB 4.25Å; F88-P272 HydrophobicContact CZ-CG 4.12Å
273	S	80	Confident	87.1	Confident	93 Å²	93	69.4 Å²	69.4	65%	0.65	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-57.9	137.3	175.9	-58.7	0	0	0	0	110.7	N87 I275	N87-S273 PolarHBondContact ND2-O 3.38Å; S273-I275 PolarHBondContact O-N 2.69Å
274	P	74.5	Confident	87.5	Confident	68 Å²	68	68.8 Å²	68.8	44%	0.442	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.5	178.5	-19	29.7	0	0	0	110.5	T276	P274-T276 PolarHBondContact O-N 3.21Å
275	I	76.3	Confident	87.8	Confident	30 Å²	30	64.8 Å²	64.8	15%	0.154	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-75.9	117.1	173.5	-66.8	175.4	0	0	0	108.5	G86 N87 S273 T277	G86-I275 VanDerWaalsContact C-CD1 3.46Å; N87-I275 HydrophobicContact CB-CD1 4.2Å; N87-I275 HydrophobicContact CB-CG1 4.48Å; N87-I275 VanDerWaalsContact N-CD1 3.31Å; N87-I275 WeakPolarHBondContact ND2-CG1 3.42Å; S273-I275 PolarHBondContact O-N 2.69Å; I275-T277 HydrophobicContact CG2-CG2 4.06Å; I275-T277 WeakPolarHBondContact CG2-OG1 3.42Å
276	T	75.1	Confident	88.1	Confident	132 Å²	132	66.6 Å²	66.6	81%	0.81	37%	0.372	S	S	*	.			trans	-108.6	13.8	175.5	54.6	0	0	0	0	112.2	P274	P274-T276 PolarHBondContact O-N 3.21Å
277	T	80	Confident	88.3	Confident	71 Å²	71	61.9 Å²	61.9	44%	0.436	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-64.7	138.1	-177.2	55.3	0	0	0	0	111.3	I275	I275-T277 HydrophobicContact CG2-CG2 4.06Å; I275-T277 WeakPolarHBondContact CG2-OG1 3.42Å
278	V	89.1	Confident	88.6	Confident	103 Å²	103	63.9 Å²	63.9	62%	0.624	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-63.5	142.8	168.8	-177.6	0	0	0	0	108.6	E280 D371	V278-E280 PolarHBondContact O-N 3.42Å; V278-D371 WeakPolarHBondContact CA-OD2 3.36Å; V278-D371 HydrophobicContact CG1-CB 4.2Å
279	S	92.1	Very high	88.9	Confident	8 Å²	8	69.9 Å²	69.9	6%	0.056	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-69.5	128.8	176.1	-56.3	0	0	0	0	110	R83 T202 D371	R83-S279 PolarHBondContact NH2-OG 2.81Å; T202-S279 WeakPolarHBondContact OG1-CA 3.48Å; T202-S279 VanDerWaalsContact OG1-CB 3.31Å; T202-S279 WeakPolarHBondContact OG1-CB 3.49Å; T202-S279 PolarHBondContact OG1-OG 2.82Å; T202-S279 VanDerWaalsContact OG1-OG 3.13Å; S279-D371 PolarHBondContact N-OD2 2.97Å; S279-D371 PolarHBondContact OG-OD2 2.71Å
280	E	92.1	Very high	89	Confident	129 Å²	129	68.1 Å²	68.1	60%	0.603	36%	0.364	S	S	*	.			trans	-105.2	109.4	177.5	-171.9	-178.3	173.2	0	0	109.2	Y198 V278 T282	Y198-E280 WeakPolarHBondContact CD1-O 3.31Å; V278-E280 PolarHBondContact O-N 3.42Å; E280-T282 HydrophobicContact CG-CG2 4.38Å
281	Y	95.4	Very high	89.1	Confident	23 Å²	23	66.7 Å²	66.7	9%	0.09	36%	0.356	C	S	.	.			trans	-74	126.5	171.9	178.8	-86.7	0	0	0	109.9	A197 Y198 G308 F309 E310 L374 C474 K475 T477	A197-Y281 HydrophobicContact CB-CD2 3.92Å; A197-Y281 HydrophobicContact CB-CE2 3.62Å; Y198-Y281 HydrophobicContact CE1-CD2 4.24Å; Y198-Y281 HydrophobicContact CE2-CD2 4.47Å; Y281-G308 PolarHBondContact OH-O 2.96Å; Y281-F309 WeakPolarHBondContact OH-CA 3.14Å; Y281-E310 WeakPolarHBondContact CB-OE1 3.22Å; Y281-E310 HydrophobicContact CD1-CB 3.63Å; Y281-E310 HydrophobicContact CD1-CG 4.28Å; Y281-E310 HydrophobicContact CD2-CB 3.8Å; Y281-E310 HydrophobicContact CD2-CG 4.15Å; Y281-E310 HydrophobicContact CE1-CB 3.94Å; Y281-E310 HydrophobicContact CE2-CB 4.11Å; Y281-E310 HydrophobicContact CG-CB 3.54Å; Y281-E310 HydrophobicContact CG-CG 3.81Å; Y281-L374 HydrophobicContact CD2-CD1 4.47Å; Y281-L374 HydrophobicContact CE2-CD1 3.81Å; Y281-C474 HydrophobicContact CE1-CB 4.34Å; Y281-K475 WeakPolarHBondContact CE1-O 3.27Å; Y281-K475 VanDerWaalsContact CZ-O 3.3Å; Y281-K475 PolarHBondContact OH-O 2.99Å; Y281-T477 PolarHBondContact OH-N 3.33Å; Y281-T477 PolarHBondContact OH-OG1 3.08Å
282	T	95.7	Very high	89.2	Confident	35 Å²	35	64.6 Å²	64.6	22%	0.215	34%	0.343	C	S	.	.			trans	-111.4	-8.7	-176.4	67.7	0	0	0	0	113.8	A197 K199 E280	A197-T282 PolarHBondContact O-N 3.21Å; A197-T282 PolarHBondContact O-OG1 2.78Å; K199-T282 HydrophobicContact CD-CG2 4.27Å; K199-T282 WeakPolarHBondContact CD-OG1 3.5Å; K199-T282 WeakPolarHBondContact CE-OG1 3.2Å; K199-T282 WeakPolarHBondContact CG-OG1 3.14Å; E280-T282 HydrophobicContact CG-CG2 4.38Å
283	G	95.3	Very high	89.1	Confident	1 Å²	1	65 Å²	65	1%	0.01	35%	0.347	C	S	.	.			trans	62.6	-174	-159.7	0	0	0	0	0	110.7	A196 A197 T477	A196-G283 CarbonylContact O-C 3.47Å; A197-G283 PolarHBondContact O-N 2.75Å; G283-T477 WeakPolarHBondContact CA-OG1 3.25Å
284	G	96.4	Very high	88.7	Confident	14 Å²	14	67.8 Å²	67.8	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	176.6	175.5	0	0	0	0	0	115.8	P476 T477 L478	G284-P476 PolarHBondContact N-O 2.86Å; G284-T477 CarbonylContact O-C 3.58Å; G284-T477 VanDerWaalsContact O-CA 3.29Å; G284-T477 WeakPolarHBondContact O-CA 3.08Å; G284-L478 PolarHBondContact O-N 3.17Å
285	Y	96.8	Very high	88.5	Confident	81 Å²	81	67.8 Å²	67.8	32%	0.318	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.4	176.9	-173.9	-112.1	0	0	0	109.6	K287 L478 L487 P488 L490	Y285-K287 HydrophobicContact CE1-CD 3.74Å; Y285-K287 HydrophobicContact CE1-CG 3.98Å; Y285-K287 WeakPolarHBondContact OH-CE 3.36Å; Y285-K287 PolarHBondContact OH-NZ 3.2Å; Y285-L478 VanDerWaalsContact CA-O 3.28Å; Y285-L478 WeakPolarHBondContact CA-O 3.47Å; Y285-L478 HydrophobicContact CD2-CB 4.03Å; Y285-L478 HydrophobicContact CD2-CD2 3.98Å; Y285-L478 HydrophobicContact CD2-CG 4.03Å; Y285-L478 WeakPolarHBondContact CD2-O 3.22Å; Y285-L478 HydrophobicContact CE2-CB 4.49Å; Y285-L478 HydrophobicContact CE2-CD2 3.65Å; Y285-L478 HydrophobicContact CE2-CG 3.99Å; Y285-L487 HydrophobicContact CE2-CD2 3.84Å; Y285-L487 HydrophobicContact CE2-CG 4.49Å; Y285-P488 WeakPolarHBondContact CE2-O 3.39Å; Y285-P488 PolarHBondContact OH-O 3.25Å; Y285-L490 HydrophobicContact CD2-CB 3.93Å; Y285-L490 HydrophobicContact CG-CB 4.15Å
286	Y	96.5	Very high	88	Confident	97 Å²	97	69.2 Å²	69.2	38%	0.38	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.7	177.2	-160.5	-90.6	0	0	0	111.8	L192 L288 L478 V479 G480	L192-Y286 HydrophobicContact CD2-CD1 3.67Å; L192-Y286 HydrophobicContact CD2-CE1 3.54Å; Y286-L288 HydrophobicContact CE1-CB 4.21Å; Y286-L478 PolarHBondContact N-O 2.87Å; Y286-V479 CarbonylContact O-C 3.09Å; Y286-V479 WeakPolarHBondContact O-CA 3.25Å; Y286-G480 PolarHBondContact O-N 2.9Å
287	K	95.7	Very high	87.4	Confident	90 Å²	90	66.6 Å²	66.6	39%	0.391	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	120.8	178.5	-81.7	176.1	151.6	162.3	0	108.6	Y285 V484 L487	Y285-K287 HydrophobicContact CE1-CD 3.74Å; Y285-K287 HydrophobicContact CE1-CG 3.98Å; Y285-K287 WeakPolarHBondContact OH-CE 3.36Å; Y285-K287 PolarHBondContact OH-NZ 3.2Å; K287-V484 HydrophobicContact CB-CG2 4.16Å; K287-V484 HydrophobicContact CD-CG2 4.37Å; K287-V484 HydrophobicContact CG-CG2 4.17Å; K287-L487 HydrophobicContact CD-CD2 4.3Å; K287-L487 HydrophobicContact CG-CD2 3.69Å; K287-L487 PolarHBondContact NZ-O 3.26Å
288	L	95.1	Very high	87	Confident	56 Å²	56	69.9 Å²	69.9	29%	0.293	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	93.8	169.3	-176.8	60.2	0	0	0	109.2	L192 Y286 R290 G480 F481 G482	L192-L288 HydrophobicContact CD1-CB 3.87Å; L192-L288 HydrophobicContact CD1-CD2 4.18Å; L192-L288 HydrophobicContact CD2-CB 4.36Å; L192-L288 HydrophobicContact CD2-CD2 4.2Å; Y286-L288 HydrophobicContact CE1-CB 4.21Å; L288-R290 PolarHBondContact O-N 2.85Å; L288-G480 PolarHBondContact N-O 3.29Å; L288-F481 HydrophobicContact CB-CD2 4.02Å; L288-F481 HydrophobicContact CD2-CD2 3.75Å; L288-F481 HydrophobicContact CD2-CE2 3.81Å; L288-F481 HydrophobicContact CG-CD2 3.91Å; L288-F481 HydrophobicContact CG-CE2 4.19Å; L288-F481 WeakPolarHBondContact O-CA 3.48Å; L288-G482 PolarHBondContact O-N 3.21Å
289	E	94.5	Very high	86.3	Confident	141 Å²	141	69.4 Å²	69.4	66%	0.659	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	126.7	178.1	-168.3	165.4	-174.6	0	0	110.9	G482 V484	E289-G482 VanDerWaalsContact CA-O 3.27Å; E289-G482 WeakPolarHBondContact CA-O 3.38Å; E289-V484 HydrophobicContact CB-CG2 4.07Å; E289-V484 HydrophobicContact CG-CG2 4.38Å
290	R	90.7	Very high	85.9	Confident	62 Å²	62	71.8 Å²	71.8	23%	0.234	37%	0.369	C	S	.	.			trans	-153.7	137.5	-179.9	-162.8	174.2	-171.1	113.2	23.2	110.4	E180 L288 L292 Y295 F481 G482 R483	E180-R290 VanDerWaalsContact CA-NH2 3.26Å; E180-R290 VanDerWaalsContact CB-NH2 3.31Å; E180-R290 PolarHBondContact O-NE 3.02Å; E180-R290 PolarHBondContact O-NH2 2.95Å; L288-R290 PolarHBondContact O-N 2.85Å; R290-L292 HydrophobicContact CB-CD2 4.16Å; R290-L292 HydrophobicContact CG-CD2 3.93Å; R290-L292 PolarHBondContact O-N 2.86Å; R290-Y295 PolarHBondContact NH2-OH 3.45Å; R290-F481 HydrophobicContact CB-CE2 4.1Å; R290-G482 PolarHBondContact N-O 3.3Å; R290-G482 CarbonylContact O-C 3.58Å; R290-G482 WeakPolarHBondContact O-CA 3.16Å; R290-R483 PolarHBondContact O-N 2.88Å
291	D	88	Confident	85.8	Confident	82 Å²	82	67 Å²	67	44%	0.439	35%	0.347	S	S	.	.			trans	-76.2	116.3	166.8	-179.1	-6.8	0	0	0	108.5	S293 Y295	D291-S293 WeakPolarHBondContact OD1-CB 3.38Å; D291-S293 PolarHBondContact OD1-N 2.87Å; D291-S293 PolarHBondContact OD1-OG 2.87Å; D291-S293 PolarHBondContact OD2-OG 3.02Å; D291-Y295 VanDerWaalsContact O-CE2 3.32Å; D291-Y295 WeakPolarHBondContact O-CE2 3.13Å
292	L	88.4	Confident	85.7	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.005	35%	0.345	C	S	.	.			trans	-104.4	2.4	-179.2	-59.7	-179.7	0	0	0	112.5	P183 R290 Q294 Y295 E301 F481	P183-L292 HydrophobicContact CG-CD2 3.85Å; R290-L292 HydrophobicContact CB-CD2 4.16Å; R290-L292 HydrophobicContact CG-CD2 3.93Å; R290-L292 PolarHBondContact O-N 2.86Å; L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 3.42Å; L292-Y295 HydrophobicContact CB-CD2 4.19Å; L292-Y295 HydrophobicContact CD2-CD2 3.66Å; L292-Y295 HydrophobicContact CD2-CE2 3.72Å; L292-Y295 PolarHBondContact O-N 3.32Å; L292-E301 HydrophobicContact CB-CG 4.27Å; L292-E301 PolarHBondContact N-OE1 3.33Å; L292-E301 VanDerWaalsContact N-OE1 3.08Å; L292-F481 HydrophobicContact CD1-CD1 4.37Å; L292-F481 HydrophobicContact CD1-CE1 4.02Å; L292-F481 HydrophobicContact CD1-CZ 4.29Å; L292-F481 HydrophobicContact CD2-CE1 4.34Å; L292-F481 HydrophobicContact CD2-CE2 4.48Å; L292-F481 HydrophobicContact CD2-CZ 3.89Å
293	S	82.6	Confident	85.7	Confident	48 Å²	48	65 Å²	65	34%	0.336	34%	0.335	S	S	.	.	H	α-helix	trans	-60.9	-34.9	-175.3	65.7	0	0	0	0	113.3	D291 Y295	D291-S293 WeakPolarHBondContact OD1-CB 3.38Å; D291-S293 PolarHBondContact OD1-N 2.87Å; D291-S293 PolarHBondContact OD1-OG 2.87Å; D291-S293 PolarHBondContact OD2-OG 3.02Å; S293-Y295 VanDerWaalsContact C-N 3.32Å; S293-Y295 PolarHBondContact O-N 3.2Å
294	Q	73.2	Confident	85.8	Confident	152 Å²	152	65.2 Å²	65.2	71%	0.71	34%	0.336	S	S	*	.	H	α-helix	trans	-74.1	-22.2	-176.4	-60.8	-176.8	14	0	0	113.3	L292	L292-Q294 VanDerWaalsContact C-N 3.28Å; L292-Q294 PolarHBondContact O-N 3.42Å
295	Y	69.4	Low	85.9	Confident	67 Å²	67	64.5 Å²	64.5	26%	0.263	33%	0.329	S	S	.	.	H	α-helix	trans	-88.7	-26	-170.7	-51.6	-47.8	0	0	0	113.2	E180 R181 P183 R290 D291 L292 S293	E180-Y295 PolarHBondContact O-OH 2.77Å; E180-Y295 VanDerWaalsContact O-OH 3.09Å; R181-Y295 VanDerWaalsContact C-CE1 3.5Å; R181-Y295 WeakPolarHBondContact O-CD1 3.41Å; R181-Y295 WeakPolarHBondContact O-CE1 3.29Å; P183-Y295 HydrophobicContact CG-CD2 4.31Å; P183-Y295 HydrophobicContact CG-CE2 4.32Å; R290-Y295 PolarHBondContact NH2-OH 3.45Å; D291-Y295 VanDerWaalsContact O-CE2 3.32Å; D291-Y295 WeakPolarHBondContact O-CE2 3.13Å; L292-Y295 HydrophobicContact CB-CD2 4.19Å; L292-Y295 HydrophobicContact CD2-CD2 3.66Å; L292-Y295 HydrophobicContact CD2-CE2 3.72Å; L292-Y295 PolarHBondContact O-N 3.32Å; S293-Y295 VanDerWaalsContact C-N 3.32Å; S293-Y295 PolarHBondContact O-N 3.2Å
296	H	65.7	Low	86	Confident	61 Å²	61	60.7 Å²	60.7	28%	0.282	31%	0.314	S	S	.	.	H	α-helix	trans	-105.8	-5.8	-174.4	-70.8	-61.2	0	0	0	113.3	M299	H296-M299 CarbonylContact C-O 3.09Å; H296-M299 HydrophobicContact CB-CB 4.1Å; H296-M299 VanDerWaalsContact O-CA 3.28Å; H296-M299 WeakPolarHBondContact O-CA 3.28Å; H296-M299 WeakPolarHBondContact O-CB 3.48Å; H296-M299 PolarHBondContact O-N 3.04Å
297	A	63.1	Low	86	Confident	77 Å²	77	56 Å²	56	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	125.9	-177.6	0	0	0	0	0	112.2
298	P	71.4	Confident	86.1	Confident	139 Å²	139	51.8 Å²	51.8	90%	0.903	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.8	3.2	14.7	36.5	-37	0	0	0	116
299	M	74.4	Confident	86.2	Confident	93 Å²	93	49.2 Å²	49.2	46%	0.458	26%	0.263	S	S	.	.	S	Bend	trans	-65.9	146.9	174.1	-61	-179.3	61.8	0	0	111.2	H296 Y302	H296-M299 CarbonylContact C-O 3.09Å; H296-M299 HydrophobicContact CB-CB 4.1Å; H296-M299 VanDerWaalsContact O-CA 3.28Å; H296-M299 WeakPolarHBondContact O-CA 3.28Å; H296-M299 WeakPolarHBondContact O-CB 3.48Å; H296-M299 PolarHBondContact O-N 3.04Å; M299-Y302 HydrophobicContact CE-CE2 4.35Å
300	P	83.1	Confident	86.3	Confident	59 Å²	59	45.2 Å²	45.2	38%	0.383	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-63.8	152.9	179.7	26.8	-35.3	0	0	0	112.2	Y302 F382	P300-Y302 HydrophobicContact CG-CE1 4.19Å; P300-Y302 HydrophobicContact CG-CE2 4.11Å; P300-Y302 WeakPolarHBondContact CG-OH 3.34Å; P300-Y302 WeakPolarHBondContact O-CD2 3.41Å; P300-Y302 PolarHBondContact O-N 3.38Å; P300-F382 HydrophobicContact CB-CD1 4.21Å; P300-F382 HydrophobicContact CB-CE1 3.64Å; P300-F382 HydrophobicContact CG-CE1 3.71Å
301	E	90.4	Very high	86.6	Confident	28 Å²	28	42.7 Å²	42.7	13%	0.131	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-65.6	129.4	172.9	-175.1	-178.6	-154.3	0	0	110.3	L292 P383 R483	L292-E301 HydrophobicContact CB-CG 4.27Å; L292-E301 PolarHBondContact N-OE1 3.33Å; L292-E301 VanDerWaalsContact N-OE1 3.08Å; E301-P383 HydrophobicContact CG-CG 4.25Å; E301-P383 VanDerWaalsContact O-CD 3.29Å; E301-P383 WeakPolarHBondContact O-CD 3.28Å; E301-R483 WeakPolarHBondContact OE1-CD 3.35Å; E301-R483 WeakPolarHBondContact OE1-CG 3.22Å; E301-R483 WeakPolarHBondContact OE2-CD 3.3Å; E301-R483 IonicContact OE2-NH1 3.69Å; E301-R483 PolarHBondContact OE2-NH1 3.39Å; E301-R483 VanDerWaalsContact OE2-NH1 3.16Å
302	Y	93.3	Very high	86.9	Confident	16 Å²	16	38.9 Å²	38.9	6%	0.063	22%	0.217	C	C	.	.			trans	-114	151.6	172.4	-64	-60.8	0	0	0	110.3	M299 P300 N360 S381 F382	M299-Y302 HydrophobicContact CE-CE2 4.35Å; P300-Y302 HydrophobicContact CG-CE1 4.19Å; P300-Y302 HydrophobicContact CG-CE2 4.11Å; P300-Y302 WeakPolarHBondContact CG-OH 3.34Å; P300-Y302 WeakPolarHBondContact O-CD2 3.41Å; P300-Y302 PolarHBondContact O-N 3.38Å; Y302-N360 HydrophobicContact CD1-CB 3.87Å; Y302-N360 HydrophobicContact CD2-CB 4.24Å; Y302-N360 HydrophobicContact CE1-CB 3.58Å; Y302-N360 HydrophobicContact CE2-CB 3.97Å; Y302-N360 VanDerWaalsContact CE2-CG 3.48Å; Y302-N360 HydrophobicContact CG-CB 4.18Å; Y302-S381 CarbonylContact C-O 3.01Å; Y302-S381 WeakPolarHBondContact CA-O 3.36Å; Y302-F382 HydrophobicContact CD1-CD1 4.09Å; Y302-F382 HydrophobicContact CD1-CE1 4.36Å; Y302-F382 AromaticContact CE1-CD1 3.81Å; Y302-F382 HydrophobicContact CE1-CD1 3.81Å; Y302-F382 AromaticContact CE1-CE1 3.64Å; Y302-F382 HydrophobicContact CE1-CE1 3.64Å; Y302-F382 HydrophobicContact CE1-CG 4.49Å; Y302-F382 HydrophobicContact CE1-CZ 4.19Å
303	A	95.8	Very high	87.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	153.6	165.3	0	0	0	0	0	109	S380 S381 P383 L386 R483	A303-S380 WeakPolarHBondContact O-CA 3.44Å; A303-S381 PolarHBondContact N-O 3.34Å; A303-S381 PolarHBondContact O-N 3.24Å; A303-P383 HydrophobicContact CB-CB 4.33Å; A303-P383 HydrophobicContact CB-CG 4.14Å; A303-L386 HydrophobicContact CB-CD1 3.71Å; A303-L386 HydrophobicContact CB-CD2 4.21Å; A303-R483 VanDerWaalsContact CB-O 3.26Å; A303-R483 WeakPolarHBondContact CB-O 3.41Å
304	H	97.4	Very high	87.6	Confident	5 Å²	5	39.8 Å²	39.8	2%	0.023	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144	-166.9	-48.5	-78.4	0	0	0	110.5	V185 M189 G379 S380 G480 F481	V185-H304 HydrophobicContact CG1-CB 4.33Å; V185-H304 VanDerWaalsContact CG1-ND1 3.33Å; V185-H304 WeakPolarHBondContact CG1-ND1 3.28Å; V185-H304 VanDerWaalsContact CG2-CE1 3.47Å; V185-H304 WeakPolarHBondContact CG2-CE1 3.36Å; V185-H304 WeakPolarHBondContact CG2-NE2 3.5Å; M189-H304 HydrophobicContact CE-CB 4.22Å; M189-H304 HydrophobicContact CG-CB 4.2Å; M189-H304 HydrophobicContact SD-CB 3.64Å; H304-G379 CarbonylContact C-O 3.52Å; H304-G379 WeakPolarHBondContact CA-O 3.39Å; H304-S380 VanDerWaalsContact ND1-CB 3.33Å; H304-S380 WeakPolarHBondContact ND1-CB 3.5Å; H304-S380 PolarHBondContact ND1-OG 3.39Å; H304-G480 CarbonylContact O-C 3.51Å; H304-G480 VanDerWaalsContact O-CA 3.29Å; H304-G480 WeakPolarHBondContact O-CA 3.16Å; H304-F481 HydrophobicContact CB-CB 4.28Å; H304-F481 AromaticContact CD2-CD1 3.58Å; H304-F481 PolarHBondContact N-O 3.33Å; H304-F481 PolarHBondContact O-N 3.32Å
305	V	98.2	Very high	88.4	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.7	179.2	173.2	0	0	0	0	108.7	I307 I378 G379 L386 L389 V390 L393 L478 V479 L487	V305-I307 HydrophobicContact CG1-CG1 4.22Å; V305-I378 CarbonylContact O-C 3.54Å; V305-I378 VanDerWaalsContact O-CA 3.27Å; V305-I378 WeakPolarHBondContact O-CA 3.28Å; V305-G379 PolarHBondContact N-O 2.86Å; V305-G379 PolarHBondContact O-N 2.86Å; V305-L386 HydrophobicContact CG2-CD1 3.39Å; V305-L386 HydrophobicContact CG2-CD2 4.23Å; V305-L386 HydrophobicContact CG2-CG 3.56Å; V305-L389 HydrophobicContact CB-CD2 4.11Å; V305-L389 HydrophobicContact CG2-CD2 4.04Å; V305-V390 HydrophobicContact CB-CG2 4.48Å; V305-V390 HydrophobicContact CG1-CG2 3.61Å; V305-V390 HydrophobicContact CG2-CG2 4.1Å; V305-L393 HydrophobicContact CG1-CD1 4.33Å; V305-L478 HydrophobicContact CG1-CD1 3.82Å; V305-V479 WeakPolarHBondContact CA-O 3.36Å; V305-L487 HydrophobicContact CG1-CD1 4.38Å; V305-L487 HydrophobicContact CG2-CD1 3.64Å
306	G	98.1	Very high	89.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.5	168.2	0	0	0	0	0	110	L478 V479	G306-L478 WeakPolarHBondContact O-CA 3.35Å; G306-V479 PolarHBondContact N-O 3.37Å; G306-V479 PolarHBondContact O-N 2.87Å
307	I	98.1	Very high	90.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.8	170.3	-52.5	179.1	0	0	0	107.3	V305 F309 T376 V377 V390 L393 V394 T477 L478	V305-I307 HydrophobicContact CG1-CG1 4.22Å; I307-F309 HydrophobicContact CG2-CE2 3.87Å; I307-F309 HydrophobicContact CG2-CZ 3.83Å; I307-T376 CarbonylContact O-C 3.43Å; I307-T376 WeakPolarHBondContact O-CA 3.41Å; I307-V377 PolarHBondContact N-O 3.41Å; I307-V377 PolarHBondContact O-N 3.06Å; I307-V390 HydrophobicContact CD1-CG1 4.26Å; I307-L393 HydrophobicContact CD1-CB 3.89Å; I307-L393 HydrophobicContact CD1-CD1 4.29Å; I307-V394 HydrophobicContact CD1-CG2 3.6Å; I307-T477 CarbonylContact C-O 3.58Å; I307-T477 VanDerWaalsContact CA-O 3.32Å; I307-T477 WeakPolarHBondContact CA-O 3.37Å; I307-L478 HydrophobicContact CG1-CD1 4.03Å
308	G	97.6	Very high	92.4	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	-124.1	152.2	-176.5	0	0	0	0	0	113.3	Y281 F375 T477	Y281-G308 PolarHBondContact OH-O 2.96Å; G308-F375 CarbonylContact C-O 3.48Å; G308-F375 VanDerWaalsContact CA-O 3.3Å; G308-F375 WeakPolarHBondContact CA-O 3.29Å; G308-T477 PolarHBondContact N-O 2.66Å; G308-T477 PolarHBondContact O-N 3.3Å
309	F	97.5	Very high	93.6	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.8	173.7	-53.4	-87.8	0	0	0	109.8	Y281 I307 S311 F375 L397 M470 I471 P476 L497	Y281-F309 WeakPolarHBondContact OH-CA 3.14Å; I307-F309 HydrophobicContact CG2-CE2 3.87Å; I307-F309 HydrophobicContact CG2-CZ 3.83Å; F309-S311 PolarHBondContact O-N 3Å; F309-F375 PolarHBondContact N-O 3.17Å; F309-F375 PolarHBondContact O-N 2.91Å; F309-L397 HydrophobicContact CE2-CD1 3.75Å; F309-L397 HydrophobicContact CZ-CD1 4.07Å; F309-M470 HydrophobicContact CB-CB 3.82Å; F309-M470 HydrophobicContact CB-CG 4.42Å; F309-M470 VanDerWaalsContact CD1-O 3.29Å; F309-M470 WeakPolarHBondContact CD1-O 3.43Å; F309-M470 HydrophobicContact CG-CB 4.24Å; F309-I471 HydrophobicContact CD1-CG1 4.46Å; F309-I471 HydrophobicContact CE1-CB 4.47Å; F309-I471 HydrophobicContact CE1-CG1 4.03Å; F309-I471 HydrophobicContact CE2-CG1 4.43Å; F309-I471 HydrophobicContact CZ-CD1 4.22Å; F309-I471 HydrophobicContact CZ-CG1 4.02Å; F309-P476 HydrophobicContact CD1-CB 4.34Å; F309-P476 HydrophobicContact CE1-CB 3.89Å; F309-L497 HydrophobicContact CE1-CD1 4.05Å; F309-L497 HydrophobicContact CE1-CD2 4.39Å; F309-L497 HydrophobicContact CZ-CD1 4.12Å; F309-L497 HydrophobicContact CZ-CD2 3.96Å
310	E	97	Very high	94.8	Very high	57 Å²	57	27.8 Å²	27.8	27%	0.266	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	124.4	168.1	-164.6	174.4	-157.1	0	0	109.2	Y281 T372 M470 C474	Y281-E310 WeakPolarHBondContact CB-OE1 3.22Å; Y281-E310 HydrophobicContact CD1-CB 3.63Å; Y281-E310 HydrophobicContact CD1-CG 4.28Å; Y281-E310 HydrophobicContact CD2-CB 3.8Å; Y281-E310 HydrophobicContact CD2-CG 4.15Å; Y281-E310 HydrophobicContact CE1-CB 3.94Å; Y281-E310 HydrophobicContact CE2-CB 4.11Å; Y281-E310 HydrophobicContact CG-CB 3.54Å; Y281-E310 HydrophobicContact CG-CG 3.81Å; E310-T372 PolarHBondContact OE1-OG1 2.76Å; E310-T372 VanDerWaalsContact OE1-OG1 3.07Å; E310-M470 WeakPolarHBondContact O-CG 3.04Å; E310-C474 HydrophobicContact CB-CB 4.17Å
311	S	95.5	Very high	95.5	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.063	14%	0.137	C	C	.	.			trans	-99.7	-121.5	178.3	-176	0	0	0	0	109	F309 N366 G373	F309-S311 PolarHBondContact O-N 3Å; S311-N366 PolarHBondContact OG-OD1 2.99Å; S311-G373 PolarHBondContact N-O 3.19Å
312	C	94.1	Very high	95.8	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.02	13%	0.131	C	C	.	.			trans	-148.1	158.9	-177.8	48.4	0	0	0	0	112	D316 T372 G373	C312-D316 HydrophobicContact CB-CB 3.55Å; C312-D316 WeakPolarHBondContact CB-OD2 3.4Å; C312-T372 CarbonylContact O-C 3.47Å; C312-G373 WeakPolarHBondContact O-CA 3.36Å
313	S	94.6	Very high	96.1	Very high	14 Å²	14	24.3 Å²	24.3	10%	0.098	14%	0.137	C	C	.	.			trans	-66.8	160	169.7	67.7	0	0	0	0	110.8	T315 D316 Y369 A370 T372	S313-T315 PolarHBondContact O-N 3.1Å; S313-T315 VanDerWaalsContact O-N 3.15Å; S313-T315 PolarHBondContact OG-N 3.29Å; S313-T315 PolarHBondContact OG-OG1 2.86Å; S313-D316 VanDerWaalsContact O-CB 3.29Å; S313-D316 WeakPolarHBondContact O-CB 3.21Å; S313-D316 PolarHBondContact O-N 3.5Å; S313-D316 VanDerWaalsContact O-N 3.11Å; S313-D316 PolarHBondContact OG-N 2.86Å; S313-Y369 WeakPolarHBondContact CA-O 3.3Å; S313-Y369 WeakPolarHBondContact CB-O 3.32Å; S313-A370 VanDerWaalsContact CB-O 3.3Å; S313-A370 WeakPolarHBondContact CB-O 3.49Å; S313-T372 WeakPolarHBondContact CA-O 3.29Å
314	Y	91.3	Very high	96.2	Very high	53 Å²	53	24.3 Å²	24.3	21%	0.208	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-3.7	171.5	47.4	-111.7	0	0	0	114	A368 Y369 A370 T441	Y314-A368 HydrophobicContact CD1-CB 4.29Å; Y314-Y369 VanDerWaalsContact CD1-O 3.31Å; Y314-Y369 WeakPolarHBondContact CD1-O 3.3Å; Y314-Y369 WeakPolarHBondContact CE1-O 3.5Å; Y314-Y369 PolarHBondContact N-O 2.8Å; Y314-A370 WeakPolarHBondContact OH-CA 3.09Å; Y314-A370 VanDerWaalsContact OH-CB 3.23Å; Y314-A370 WeakPolarHBondContact OH-CB 3.4Å; Y314-A370 PolarHBondContact OH-N 2.78Å; Y314-T441 HydrophobicContact CE2-CG2 3.38Å; Y314-T441 WeakPolarHBondContact OH-CB 3.19Å; Y314-T441 WeakPolarHBondContact OH-CG2 3.12Å; Y314-T441 PolarHBondContact OH-OG1 3.41Å
315	T	90.5	Very high	96.2	Very high	94 Å²	94	24.1 Å²	24.1	58%	0.577	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-9.8	171.8	53.6	0	0	0	0	113.1	S313	S313-T315 PolarHBondContact O-N 3.1Å; S313-T315 VanDerWaalsContact O-N 3.15Å; S313-T315 PolarHBondContact OG-N 3.29Å; S313-T315 PolarHBondContact OG-OG1 2.86Å
316	D	93.8	Very high	96.2	Very high	42 Å²	42	27.2 Å²	27.2	23%	0.225	15%	0.15	C	C	.	.	S	Bend	trans	-71.3	139.3	178.4	-171.1	-54.9	0	0	0	110.7	C312 S313 Q318 F319 R469	C312-D316 HydrophobicContact CB-CB 3.55Å; C312-D316 WeakPolarHBondContact CB-OD2 3.4Å; S313-D316 VanDerWaalsContact O-CB 3.29Å; S313-D316 WeakPolarHBondContact O-CB 3.21Å; S313-D316 PolarHBondContact O-N 3.5Å; S313-D316 VanDerWaalsContact O-N 3.11Å; S313-D316 PolarHBondContact OG-N 2.86Å; D316-Q318 PolarHBondContact O-N 2.88Å; D316-Q318 VanDerWaalsContact O-N 3.16Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.31Å; D316-Q318 PolarHBondContact OD1-N 3.5Å; D316-F319 WeakPolarHBondContact O-CB 3.33Å; D316-F319 PolarHBondContact O-N 2.95Å; D316-R469 IonicContact OD2-NH1 2.63Å; D316-R469 PolarHBondContact OD2-NH1 3.23Å
317	P	93.7	Very high	96.1	Very high	124 Å²	124	27.8 Å²	27.8	81%	0.805	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-30.7	173.6	-26.9	35.3	0	0	0	114.8	F319	P317-F319 VanDerWaalsContact C-N 3.33Å
318	Q	95.7	Very high	96.1	Very high	25 Å²	25	28 Å²	28	12%	0.117	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.8	178.9	-59.3	-169	-66.5	0	0	113.7	D316 V320 S321 A322 L466	D316-Q318 PolarHBondContact O-N 2.88Å; D316-Q318 VanDerWaalsContact O-N 3.16Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.31Å; D316-Q318 PolarHBondContact OD1-N 3.5Å; Q318-V320 VanDerWaalsContact C-N 3.31Å; Q318-V320 PolarHBondContact O-N 2.98Å; Q318-S321 WeakPolarHBondContact O-CA 3.3Å; Q318-S321 VanDerWaalsContact O-CB 3.26Å; Q318-S321 WeakPolarHBondContact O-CB 3.23Å; Q318-S321 PolarHBondContact O-N 2.97Å; Q318-A322 PolarHBondContact O-N 3.47Å; Q318-L466 HydrophobicContact CB-CD1 4.37Å
319	F	96.6	Very high	96.1	Very high	40 Å²	40	28.1 Å²	28.1	18%	0.175	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-46.1	178.8	171.4	-119.6	0	0	0	112.5	D316 P317 S321 A322 C323 A368 W451	D316-F319 WeakPolarHBondContact O-CB 3.33Å; D316-F319 PolarHBondContact O-N 2.95Å; P317-F319 VanDerWaalsContact C-N 3.33Å; F319-S321 VanDerWaalsContact C-N 3.3Å; F319-S321 PolarHBondContact O-N 3.01Å; F319-A322 WeakPolarHBondContact O-CB 3.42Å; F319-A322 PolarHBondContact O-N 2.92Å; F319-A322 VanDerWaalsContact O-N 3.14Å; F319-C323 PolarHBondContact O-N 2.83Å; F319-C323 VanDerWaalsContact O-N 3.12Å; F319-A368 HydrophobicContact CD2-CB 3.99Å; F319-A368 HydrophobicContact CE2-CB 3.56Å; F319-W451 HydrophobicContact CD1-CH2 4.48Å; F319-W451 HydrophobicContact CD1-CZ3 4.17Å; F319-W451 HydrophobicContact CE1-CH2 4.41Å; F319-W451 HydrophobicContact CE1-CZ3 4.26Å
320	V	97.8	Very high	96	Very high	13 Å²	13	28.7 Å²	28.7	8%	0.079	16%	0.163	C	C	.	.	H	α-helix	trans	-67.6	-35.2	179.8	-176.7	0	0	0	0	110.7	Q318 A322 C323 V324 W451 Q454 I455 I458	Q318-V320 VanDerWaalsContact C-N 3.31Å; Q318-V320 PolarHBondContact O-N 2.98Å; V320-A322 VanDerWaalsContact C-N 3.31Å; V320-A322 PolarHBondContact O-N 2.91Å; V320-C323 PolarHBondContact O-N 2.79Å; V320-V324 WeakPolarHBondContact O-CG2 3.41Å; V320-V324 PolarHBondContact O-N 2.79Å; V320-W451 HydrophobicContact CG2-CE3 4.13Å; V320-W451 HydrophobicContact CG2-CZ3 4.06Å; V320-Q454 HydrophobicContact CB-CB 4.46Å; V320-Q454 HydrophobicContact CG1-CB 4.15Å; V320-Q454 HydrophobicContact CG2-CB 3.91Å; V320-I455 HydrophobicContact CG1-CB 4.36Å; V320-I455 HydrophobicContact CG1-CG1 3.71Å; V320-I458 HydrophobicContact CB-CD1 4.15Å; V320-I458 HydrophobicContact CB-CG1 4.47Å; V320-I458 HydrophobicContact CG1-CD1 4.05Å; V320-I458 HydrophobicContact CG1-CG1 3.85Å
321	S	98.1	Very high	95.8	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	16%	0.156	C	C	.	.	H	α-helix	trans	-59.5	-41	171.6	-50.1	0	0	0	0	111.5	Q318 F319 V324 L325 I458 L463	Q318-S321 WeakPolarHBondContact O-CA 3.3Å; Q318-S321 VanDerWaalsContact O-CB 3.26Å; Q318-S321 WeakPolarHBondContact O-CB 3.23Å; Q318-S321 PolarHBondContact O-N 2.97Å; F319-S321 VanDerWaalsContact C-N 3.3Å; F319-S321 PolarHBondContact O-N 3.01Å; S321-V324 PolarHBondContact O-N 3.48Å; S321-L325 VanDerWaalsContact O-CB 3.27Å; S321-L325 WeakPolarHBondContact O-CB 3.01Å; S321-L325 PolarHBondContact O-N 2.97Å; S321-I458 WeakPolarHBondContact OG-CD1 3.15Å; S321-L463 WeakPolarHBondContact O-CD2 3.16Å
322	A	98	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-39.5	176.6	0	0	0	0	0	112.5	Q318 F319 V320 L325 H326 L466	Q318-A322 PolarHBondContact O-N 3.47Å; F319-A322 WeakPolarHBondContact O-CB 3.42Å; F319-A322 PolarHBondContact O-N 2.92Å; F319-A322 VanDerWaalsContact O-N 3.14Å; V320-A322 VanDerWaalsContact C-N 3.31Å; V320-A322 PolarHBondContact O-N 2.91Å; A322-L325 PolarHBondContact O-N 3.41Å; A322-H326 WeakPolarHBondContact O-CB 3.35Å; A322-H326 PolarHBondContact O-N 3.05Å; A322-L466 VanDerWaalsContact CA-CD2 3.41Å; A322-L466 HydrophobicContact CB-CD2 3.71Å; A322-L466 VanDerWaalsContact N-CD2 3.35Å
323	C	98.1	Very high	95.6	Very high	26 Å²	26	28.1 Å²	28.1	18%	0.176	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-40.8	175	-67	0	0	0	0	112.6	F319 V320 H326 S327 L417	F319-C323 PolarHBondContact O-N 2.83Å; F319-C323 VanDerWaalsContact O-N 3.12Å; V320-C323 PolarHBondContact O-N 2.79Å; C323-H326 PolarHBondContact O-N 3.39Å; C323-S327 PolarHBondContact O-N 3.12Å; C323-S327 PolarHBondContact O-OG 3.36Å; C323-L417 HydrophobicContact CB-CD1 4.36Å; C323-L417 HydrophobicContact CB-CD2 3.75Å
324	V	98.4	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.5	-40.8	175.3	173.9	0	0	0	0	110.6	V320 S321 S327 L328 L410 A413 K414 L417 I455 I458 L463	V320-V324 WeakPolarHBondContact O-CG2 3.41Å; V320-V324 PolarHBondContact O-N 2.79Å; S321-V324 PolarHBondContact O-N 3.48Å; V324-S327 CarbonylContact O-C 3.54Å; V324-S327 PolarHBondContact O-N 2.95Å; V324-S327 VanDerWaalsContact O-N 3.15Å; V324-L328 WeakPolarHBondContact O-CB 3.29Å; V324-L328 PolarHBondContact O-N 2.92Å; V324-L410 HydrophobicContact CG1-CD1 3.92Å; V324-A413 HydrophobicContact CG1-CB 4.45Å; V324-K414 HydrophobicContact CG1-CG 4.26Å; V324-K414 HydrophobicContact CG2-CG 4.45Å; V324-L417 HydrophobicContact CG2-CD2 3.69Å; V324-I455 HydrophobicContact CG2-CG2 4.08Å; V324-I458 HydrophobicContact CB-CG2 4.26Å; V324-I458 HydrophobicContact CG1-CG2 4.17Å; V324-I458 HydrophobicContact CG2-CB 4.31Å; V324-I458 HydrophobicContact CG2-CG1 4Å; V324-I458 HydrophobicContact CG2-CG2 4.34Å; V324-L463 HydrophobicContact CB-CD2 4.22Å; V324-L463 HydrophobicContact CG1-CD1 4.21Å; V324-L463 HydrophobicContact CG1-CD2 4.12Å
325	L	98	Very high	94.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-44.8	175.6	178.2	61.6	0	0	0	111.9	S321 A322 S327 L328 L329 F375 T400 L463 L466 L467 M470	S321-L325 VanDerWaalsContact O-CB 3.27Å; S321-L325 WeakPolarHBondContact O-CB 3.01Å; S321-L325 PolarHBondContact O-N 2.97Å; A322-L325 PolarHBondContact O-N 3.41Å; L325-S327 VanDerWaalsContact C-N 3.31Å; L325-S327 PolarHBondContact O-N 3.02Å; L325-L328 PolarHBondContact O-N 2.98Å; L325-L329 HydrophobicContact CD1-CD1 4.17Å; L325-L329 HydrophobicContact CD1-CG 4.15Å; L325-L329 HydrophobicContact CG-CD1 4.36Å; L325-L329 PolarHBondContact O-N 3.45Å; L325-F375 HydrophobicContact CB-CE2 4.29Å; L325-F375 HydrophobicContact CB-CZ 4.5Å; L325-F375 HydrophobicContact CD2-CD2 4.47Å; L325-F375 HydrophobicContact CD2-CE1 4.36Å; L325-F375 HydrophobicContact CD2-CE2 3.96Å; L325-F375 HydrophobicContact CD2-CZ 3.92Å; L325-F375 HydrophobicContact CG-CE2 3.97Å; L325-F375 HydrophobicContact CG-CZ 3.77Å; L325-T400 HydrophobicContact CD1-CG2 4.4Å; L325-L463 HydrophobicContact CB-CD2 4.2Å; L325-L466 HydrophobicContact CD2-CD2 4.12Å; L325-L467 HydrophobicContact CD1-CD1 3.77Å; L325-L467 HydrophobicContact CD1-CD2 4.17Å; L325-L467 HydrophobicContact CD1-CG 4Å; L325-L467 HydrophobicContact CD2-CD1 4.43Å; L325-L467 HydrophobicContact CD2-CD2 3.7Å; L325-L467 HydrophobicContact CD2-CG 3.72Å; L325-M470 HydrophobicContact CD2-CE 3.57Å
326	H	97.4	Very high	93.9	Very high	65 Å²	65	32.7 Å²	32.7	30%	0.301	20%	0.198	S	C	.	.	H	α-helix	trans	-55.5	-48.2	172.2	168.2	-161.9	0	0	0	110.4	A322 C323 L328 L329 G330 A364 N366 F375	A322-H326 WeakPolarHBondContact O-CB 3.35Å; A322-H326 PolarHBondContact O-N 3.05Å; C323-H326 PolarHBondContact O-N 3.39Å; H326-L328 VanDerWaalsContact C-N 3.33Å; H326-L328 PolarHBondContact O-N 2.92Å; H326-L329 PolarHBondContact O-N 3.03Å; H326-G330 WeakPolarHBondContact O-CA 3.33Å; H326-G330 PolarHBondContact O-N 2.88Å; H326-A364 PolarHBondContact CD2-O 3.07Å; H326-A364 PolarHBondContact NE2-O 3.36Å; H326-A364 VanDerWaalsContact NE2-O 3.11Å; H326-N366 HydrophobicContact CB-CB 4.1Å; H326-F375 HydrophobicContact CB-CE2 3.94Å; H326-F375 HydrophobicContact CB-CZ 4.43Å
327	S	97.3	Very high	92.9	Very high	12 Å²	12	36 Å²	36	8%	0.084	23%	0.231	C	C	.	.	H	α-helix	trans	-65.7	-33	179.4	-56.7	0	0	0	0	113.4	C323 V324 L325	C323-S327 PolarHBondContact O-N 3.12Å; C323-S327 PolarHBondContact O-OG 3.36Å; V324-S327 CarbonylContact O-C 3.54Å; V324-S327 PolarHBondContact O-N 2.95Å; V324-S327 VanDerWaalsContact O-N 3.15Å; L325-S327 VanDerWaalsContact C-N 3.31Å; L325-S327 PolarHBondContact O-N 3.02Å
328	L	97.8	Very high	92.1	Very high	6 Å²	6	32 Å²	32	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-49.5	177.7	179	73.6	0	0	0	111.9	V324 L325 H326 R347 I405 E409 A413 L463	V324-L328 WeakPolarHBondContact O-CB 3.29Å; V324-L328 PolarHBondContact O-N 2.92Å; L325-L328 PolarHBondContact O-N 2.98Å; H326-L328 VanDerWaalsContact C-N 3.33Å; H326-L328 PolarHBondContact O-N 2.92Å; L328-R347 PolarHBondContact O-N 3.25Å; L328-R347 VanDerWaalsContact O-N 3.11Å; L328-I405 HydrophobicContact CD1-CG2 4.03Å; L328-I405 HydrophobicContact CD2-CD1 3.79Å; L328-I405 HydrophobicContact CD2-CG1 4.31Å; L328-I405 HydrophobicContact CD2-CG2 4.02Å; L328-E409 HydrophobicContact CD1-CB 3.97Å; L328-A413 HydrophobicContact CB-CB 3.84Å; L328-A413 HydrophobicContact CD1-CB 4.08Å; L328-L463 HydrophobicContact CD2-CD1 3.95Å
329	L	97.7	Very high	91.5	Very high	1 Å²	1	33 Å²	33	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-67	-44.7	177.1	-72.1	-178.5	0	0	0	110.6	L325 H326 G331 T346 R347 L348 A364 F375 V377 L397 T400	L325-L329 HydrophobicContact CD1-CD1 4.17Å; L325-L329 HydrophobicContact CD1-CG 4.15Å; L325-L329 HydrophobicContact CG-CD1 4.36Å; L325-L329 PolarHBondContact O-N 3.45Å; H326-L329 PolarHBondContact O-N 3.03Å; L329-G331 PolarHBondContact O-N 2.88Å; L329-T346 WeakPolarHBondContact O-CB 3.38Å; L329-T346 PolarHBondContact O-OG1 3.35Å; L329-R347 HydrophobicContact CD2-CB 4.2Å; L329-R347 PolarHBondContact O-N 2.69Å; L329-L348 HydrophobicContact CB-CD1 4.04Å; L329-L348 HydrophobicContact CB-CG 4.14Å; L329-L348 VanDerWaalsContact O-CB 3.28Å; L329-L348 WeakPolarHBondContact O-CB 3.3Å; L329-L348 WeakPolarHBondContact O-CG 3.23Å; L329-L348 PolarHBondContact O-N 3.16Å; L329-A364 HydrophobicContact CB-CB 3.65Å; L329-A364 HydrophobicContact CD1-CB 4.16Å; L329-F375 HydrophobicContact CD1-CE1 3.8Å; L329-F375 HydrophobicContact CD1-CZ 3.86Å; L329-V377 HydrophobicContact CD1-CG2 4.41Å; L329-L397 HydrophobicContact CD1-CD2 4.32Å; L329-T400 HydrophobicContact CD2-CG2 4.03Å
330	G	95.6	Very high	90.9	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	26%	0.264	C	S	.	.			trans	51.6	-120.7	174.1	0	0	0	0	0	112.5	H326 L348 Q363 A364	H326-G330 WeakPolarHBondContact O-CA 3.33Å; H326-G330 PolarHBondContact O-N 2.88Å; G330-L348 WeakPolarHBondContact O-CD1 3.29Å; G330-Q363 WeakPolarHBondContact O-CA 3.46Å; G330-A364 PolarHBondContact O-N 2.98Å
331	G	92.9	Very high	90.1	Very high	12 Å²	12	40.4 Å²	40.4	12%	0.124	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	112.9	-148.5	177.6	0	0	0	0	0	114.2	L329 T346 A362	L329-G331 PolarHBondContact O-N 2.88Å; G331-T346 PolarHBondContact N-OG1 3.25Å; G331-A362 CarbonylContact C-O 3.55Å; G331-A362 WeakPolarHBondContact CA-O 3.34Å
332	G	92.6	Very high	89.6	Confident	18 Å²	18	43.2 Å²	43.2	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.9	-160.8	179.2	0	0	0	0	0	112.9	L353 S361 A362	G332-L353 WeakPolarHBondContact O-CD1 3.39Å; G332-S361 VanDerWaalsContact O-CA 3.26Å; G332-S361 WeakPolarHBondContact O-CA 3.45Å; G332-S361 WeakPolarHBondContact O-CB 3.26Å; G332-A362 PolarHBondContact N-O 2.85Å; G332-A362 PolarHBondContact O-N 2.89Å
333	G	91.6	Very high	89.1	Confident	26 Å²	26	43.6 Å²	43.6	27%	0.268	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	143.5	174	0	0	0	0	0	112.9	F335 S336 N360	G333-F335 PolarHBondContact O-N 2.95Å; G333-S336 WeakPolarHBondContact O-CB 3.36Å; G333-S336 PolarHBondContact O-N 3.03Å; G333-S336 VanDerWaalsContact O-N 3.1Å; G333-N360 WeakPolarHBondContact CA-O 3.47Å
334	S	85.8	Confident	88.6	Confident	46 Å²	46	45.8 Å²	45.8	32%	0.322	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.1	177.1	-63	0	0	0	0	112.9	V359 N360	S334-V359 PolarHBondContact OG-O 3Å; S334-N360 WeakPolarHBondContact CB-O 3.38Å; S334-N360 PolarHBondContact N-O 3.25Å; S334-N360 PolarHBondContact OG-O 2.8Å
335	F	81.2	Confident	88.4	Confident	155 Å²	155	53.4 Å²	53.4	68%	0.68	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	19.3	179	-66.3	-77.6	0	0	0	114.1	G333 A337	G333-F335 PolarHBondContact O-N 2.95Å; F335-A337 PolarHBondContact O-N 3.11Å
336	S	74.5	Confident	88.3	Confident	56 Å²	56	53.6 Å²	53.6	39%	0.392	35%	0.351	S	S	.	.			trans	-61.9	105.2	177.1	-179.6	0	0	0	0	110.2	G333 G338 K342	G333-S336 WeakPolarHBondContact O-CB 3.36Å; G333-S336 PolarHBondContact O-N 3.03Å; G333-S336 VanDerWaalsContact O-N 3.1Å; S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 3.46Å; S336-G338 VanDerWaalsContact O-N 3.11Å; S336-K342 PolarHBondContact O-NZ 2.86Å; S336-K342 WeakPolarHBondContact OG-CD 3.5Å
337	A	72.1	Confident	88.2	Confident	111 Å²	111	50.7 Å²	50.7	92%	0.917	34%	0.337	S	S	*	.			trans	-83.2	81.4	173.2	0	0	0	0	0	108.8	F335	F335-A337 PolarHBondContact O-N 3.11Å
338	G	77.8	Confident	88.2	Confident	41 Å²	41	50.2 Å²	50.2	42%	0.423	33%	0.333	S	S	.	.			trans	-147.9	154.2	179.6	0	0	0	0	0	110.6	S336 K342	S336-G338 VanDerWaalsContact C-N 3.34Å; S336-G338 PolarHBondContact O-N 3.46Å; S336-G338 VanDerWaalsContact O-N 3.11Å; G338-K342 PolarHBondContact O-NZ 2.82Å
339	G	82	Confident	88.1	Confident	47 Å²	47	50.9 Å²	50.9	49%	0.485	34%	0.336	S	S	.	.			trans	-72.3	-177.7	179.4	0	0	0	0	0	114
340	P	84.4	Confident	88	Confident	136 Å²	136	53.1 Å²	53.1	88%	0.883	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	145.6	170.9	-23.4	33.7	0	0	0	112
341	G	81.9	Confident	88	Confident	72 Å²	72	53.7 Å²	53.7	74%	0.742	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.7	-15.9	179.5	0	0	0	0	0	115	G343	G341-G343 PolarHBondContact O-N 2.64Å; G341-G343 VanDerWaalsContact O-N 3.12Å
342	K	85.6	Confident	88.2	Confident	63 Å²	63	53.1 Å²	53.1	27%	0.274	34%	0.341	S	S	.	.	S	Bend	trans	-76.9	12.8	179.9	72.3	-176.2	-170.6	-158.4	0	116.3	S336 G338 M344	S336-K342 PolarHBondContact O-NZ 2.86Å; S336-K342 WeakPolarHBondContact OG-CD 3.5Å; G338-K342 PolarHBondContact O-NZ 2.82Å; K342-M344 HydrophobicContact CD-CG 4.28Å; K342-M344 VanDerWaalsContact CE-CG 3.42Å; K342-M344 VanDerWaalsContact CE-SD 3.51Å; K342-M344 HydrophobicContact CG-CG 3.79Å; K342-M344 HydrophobicContact CG-SD 4.44Å
343	G	88.1	Confident	88.3	Confident	8 Å²	8	52.9 Å²	52.9	8%	0.082	34%	0.335	C	S	.	.	S	Bend	trans	87.9	23.7	-179.9	0	0	0	0	0	116.6	G341 Y345 T346	G341-G343 PolarHBondContact O-N 2.64Å; G341-G343 VanDerWaalsContact O-N 3.12Å; G343-Y345 PolarHBondContact O-N 3Å; G343-Y345 VanDerWaalsContact O-N 3.12Å; G343-T346 WeakPolarHBondContact O-CB 3.22Å; G343-T346 VanDerWaalsContact O-CG2 3.22Å; G343-T346 WeakPolarHBondContact O-CG2 3.4Å; G343-T346 PolarHBondContact O-N 3.44Å; G343-T346 VanDerWaalsContact O-N 3.11Å; G343-T346 PolarHBondContact O-OG1 2.83Å
344	M	88.8	Confident	88.4	Confident	72 Å²	72	56.4 Å²	56.4	36%	0.355	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-16	-179.7	-62.6	179.8	71.8	0	0	115.3	K342 Y349 L350	K342-M344 HydrophobicContact CD-CG 4.28Å; K342-M344 VanDerWaalsContact CE-CG 3.42Å; K342-M344 VanDerWaalsContact CE-SD 3.51Å; K342-M344 HydrophobicContact CG-CG 3.79Å; K342-M344 HydrophobicContact CG-SD 4.44Å; M344-Y349 HydrophobicContact CB-CD1 4.24Å; M344-Y349 HydrophobicContact CB-CE1 4.14Å; M344-Y349 HydrophobicContact CE-CE1 4.17Å; M344-Y349 HydrophobicContact CG-CE1 4.28Å; M344-Y349 HydrophobicContact CG-CE2 4.15Å; M344-Y349 WeakPolarHBondContact O-CD1 3.32Å; M344-L350 WeakPolarHBondContact O-CD2 3.23Å
345	Y	92.9	Very high	88.8	Confident	159 Å²	159	60.5 Å²	60.5	62%	0.624	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	16.2	178.1	-71.5	-90.2	0	0	0	112.5	G343 L350 R412	G343-Y345 PolarHBondContact O-N 3Å; G343-Y345 VanDerWaalsContact O-N 3.12Å; Y345-L350 HydrophobicContact CD1-CD1 4.47Å; Y345-L350 HydrophobicContact CD1-CD2 4.5Å; Y345-R412 PolarHBondContact O-NE 3.5Å; Y345-R412 PolarHBondContact O-NH2 2.93Å
346	T	95.9	Very high	89.5	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.031	34%	0.338	C	S	.	.	S	Bend	trans	-81.8	158.3	175.2	59.2	0	0	0	0	110.1	L329 G331 G343 L348 Y349 L350	L329-T346 WeakPolarHBondContact O-CB 3.38Å; L329-T346 PolarHBondContact O-OG1 3.35Å; G331-T346 PolarHBondContact N-OG1 3.25Å; G343-T346 WeakPolarHBondContact O-CB 3.22Å; G343-T346 VanDerWaalsContact O-CG2 3.22Å; G343-T346 WeakPolarHBondContact O-CG2 3.4Å; G343-T346 PolarHBondContact O-N 3.44Å; G343-T346 VanDerWaalsContact O-N 3.11Å; G343-T346 PolarHBondContact O-OG1 2.83Å; T346-L348 PolarHBondContact O-N 2.79Å; T346-Y349 PolarHBondContact O-N 3.41Å; T346-Y349 VanDerWaalsContact O-N 3.14Å; T346-L350 PolarHBondContact O-N 3.42Å
347	R	96.5	Very high	90.4	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-62.3	-45.1	-171.5	-76.1	-170.1	172.4	-167.5	-6.6	113	L328 L329 Y349 L350 N351 E396 T400 S404 E409	L328-R347 PolarHBondContact O-N 3.25Å; L328-R347 VanDerWaalsContact O-N 3.11Å; L329-R347 HydrophobicContact CD2-CB 4.2Å; L329-R347 PolarHBondContact O-N 2.69Å; R347-Y349 VanDerWaalsContact C-N 3.25Å; R347-Y349 PolarHBondContact O-N 3.29Å; R347-L350 PolarHBondContact O-N 3.07Å; R347-N351 VanDerWaalsContact O-CB 3.27Å; R347-N351 WeakPolarHBondContact O-CB 3.35Å; R347-N351 PolarHBondContact O-N 2.96Å; R347-E396 WeakPolarHBondContact CB-OE1 3.41Å; R347-T400 VanDerWaalsContact NH1-CA 3.28Å; R347-T400 PolarHBondContact NH1-OG1 3.03Å; R347-S404 PolarHBondContact NH2-O 3.47Å; R347-E409 IonicContact CZ-OE2 3.52Å; R347-E409 IonicContact NE-OE1 2.82Å; R347-E409 IonicContact NE-OE2 2.92Å; R347-E409 PolarHBondContact NE-OE2 3.18Å; R347-E409 IonicContact NH2-OE2 3.9Å; R347-E409 PolarHBondContact NH2-OE2 2.9Å
348	L	97.1	Very high	91.4	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	31%	0.314	C	S	.	.	I	π-helix	trans	-62.6	-35.4	176.9	-64.6	174.8	0	0	0	111.2	L329 G330 T346 I352 L353 A362 Q363 A364 V377 E396	L329-L348 HydrophobicContact CB-CD1 4.04Å; L329-L348 HydrophobicContact CB-CG 4.14Å; L329-L348 VanDerWaalsContact O-CB 3.28Å; L329-L348 WeakPolarHBondContact O-CB 3.3Å; L329-L348 WeakPolarHBondContact O-CG 3.23Å; L329-L348 PolarHBondContact O-N 3.16Å; G330-L348 WeakPolarHBondContact O-CD1 3.29Å; T346-L348 PolarHBondContact O-N 2.79Å; L348-I352 HydrophobicContact CD2-CD1 3.44Å; L348-I352 VanDerWaalsContact CD2-CD1 3.44Å; L348-I352 HydrophobicContact CD2-CG1 4.31Å; L348-I352 WeakPolarHBondContact O-CA 3.33Å; L348-I352 WeakPolarHBondContact O-CB 3.33Å; L348-I352 PolarHBondContact O-N 3.24Å; L348-I352 VanDerWaalsContact O-N 3.07Å; L348-L353 PolarHBondContact O-N 2.79Å; L348-A362 HydrophobicContact CB-CB 4.39Å; L348-Q363 VanDerWaalsContact CD1-C 3.48Å; L348-A364 HydrophobicContact CD1-CB 3.93Å; L348-A364 VanDerWaalsContact CD1-N 3.33Å; L348-V377 HydrophobicContact CD1-CG1 3.97Å; L348-V377 HydrophobicContact CD2-CG1 4.03Å; L348-E396 HydrophobicContact CD2-CG 3.92Å
349	Y	95.4	Very high	92.2	Very high	19 Å²	19	54 Å²	54	8%	0.075	30%	0.295	C	S	.	.	I	π-helix	trans	-68	-51	176.6	-156.7	-72.1	0	0	0	111.9	M344 T346 R347 L353 N354	M344-Y349 HydrophobicContact CB-CD1 4.24Å; M344-Y349 HydrophobicContact CB-CE1 4.14Å; M344-Y349 HydrophobicContact CE-CE1 4.17Å; M344-Y349 HydrophobicContact CG-CE1 4.28Å; M344-Y349 HydrophobicContact CG-CE2 4.15Å; M344-Y349 WeakPolarHBondContact O-CD1 3.32Å; T346-Y349 PolarHBondContact O-N 3.41Å; T346-Y349 VanDerWaalsContact O-N 3.14Å; R347-Y349 VanDerWaalsContact C-N 3.25Å; R347-Y349 PolarHBondContact O-N 3.29Å; Y349-L353 HydrophobicContact CD2-CD1 3.7Å; Y349-L353 HydrophobicContact CE2-CD1 4.01Å; Y349-L353 HydrophobicContact CG-CD1 4.13Å; Y349-L353 WeakPolarHBondContact O-CB 3.32Å; Y349-L353 PolarHBondContact O-N 3.11Å; Y349-N354 WeakPolarHBondContact CE1-OD1 3.38Å; Y349-N354 PolarHBondContact O-N 3.15Å
350	L	94.9	Very high	92.8	Very high	49 Å²	49	53 Å²	53	26%	0.257	28%	0.279	S	S	.	.	I	π-helix	trans	-72.3	-42	-175.2	-67.4	179.8	0	0	0	113.2	M344 Y345 T346 R347	M344-L350 WeakPolarHBondContact O-CD2 3.23Å; Y345-L350 HydrophobicContact CD1-CD1 4.47Å; Y345-L350 HydrophobicContact CD1-CD2 4.5Å; T346-L350 PolarHBondContact O-N 3.42Å; R347-L350 PolarHBondContact O-N 3.07Å
351	N	95.9	Very high	93.3	Very high	26 Å²	26	47.5 Å²	47.5	14%	0.139	24%	0.243	C	C	.	.	I	π-helix	trans	-89.8	-25.5	-174	-68.6	-28.4	0	0	0	113	R347 K355 E396	R347-N351 VanDerWaalsContact O-CB 3.27Å; R347-N351 WeakPolarHBondContact O-CB 3.35Å; R347-N351 PolarHBondContact O-N 2.96Å; N351-K355 WeakPolarHBondContact O-CD 3.38Å; N351-K355 PolarHBondContact OD1-NZ 2.82Å; N351-E396 WeakPolarHBondContact CB-OE2 3.5Å; N351-E396 PolarHBondContact ND2-OE1 3.3Å; N351-E396 PolarHBondContact ND2-OE2 2.86Å; N351-E396 VanDerWaalsContact ND2-OE2 3.16Å
352	I	96.8	Very high	94.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.208	C	C	.	.	I	π-helix	trans	-106.5	-66.2	-179.5	-49.4	-171.4	0	0	0	110.8	L348 N354 K355 H356 V359 A362 T392 L393 E396	L348-I352 HydrophobicContact CD2-CD1 3.44Å; L348-I352 VanDerWaalsContact CD2-CD1 3.44Å; L348-I352 HydrophobicContact CD2-CG1 4.31Å; L348-I352 WeakPolarHBondContact O-CA 3.33Å; L348-I352 WeakPolarHBondContact O-CB 3.33Å; L348-I352 PolarHBondContact O-N 3.24Å; L348-I352 VanDerWaalsContact O-N 3.07Å; I352-N354 PolarHBondContact O-N 2.86Å; I352-K355 PolarHBondContact O-N 2.75Å; I352-H356 WeakPolarHBondContact O-CB 3.21Å; I352-H356 PolarHBondContact O-N 2.85Å; I352-V359 HydrophobicContact CG2-CB 4.23Å; I352-V359 HydrophobicContact CG2-CG1 3.93Å; I352-V359 HydrophobicContact CG2-CG2 3.98Å; I352-A362 HydrophobicContact CB-CB 4.33Å; I352-A362 HydrophobicContact CD1-CB 4.32Å; I352-A362 HydrophobicContact CG2-CB 4.06Å; I352-T392 HydrophobicContact CB-CG2 4.45Å; I352-T392 HydrophobicContact CD1-CG2 4.14Å; I352-T392 HydrophobicContact CG1-CG2 4.05Å; I352-T392 HydrophobicContact CG2-CG2 3.9Å; I352-L393 HydrophobicContact CD1-CD2 3.64Å; I352-E396 HydrophobicContact CD1-CB 4.01Å; I352-E396 HydrophobicContact CD1-CG 4.23Å; I352-E396 HydrophobicContact CG1-CB 4.41Å; I352-E396 HydrophobicContact CG1-CG 4.41Å
353	L	95.6	Very high	94.6	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.063	20%	0.202	C	C	.	.	I	π-helix	trans	-64.3	-41.6	-170.6	-56.6	-179.9	0	0	0	112.8	G332 L348 Y349 V359 A362	G332-L353 WeakPolarHBondContact O-CD1 3.39Å; L348-L353 PolarHBondContact O-N 2.79Å; Y349-L353 HydrophobicContact CD2-CD1 3.7Å; Y349-L353 HydrophobicContact CE2-CD1 4.01Å; Y349-L353 HydrophobicContact CG-CD1 4.13Å; Y349-L353 WeakPolarHBondContact O-CB 3.32Å; Y349-L353 PolarHBondContact O-N 3.11Å; L353-V359 HydrophobicContact CD2-CB 4.38Å; L353-V359 HydrophobicContact CD2-CG1 3.78Å; L353-A362 HydrophobicContact CD2-CB 3.99Å; L353-A362 HydrophobicContact CG-CB 4.45Å
354	N	93.5	Very high	95	Very high	101 Å²	101	42.4 Å²	42.4	54%	0.54	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.2	178.6	-74.6	-9.9	0	0	0	113.7	Y349 I352	Y349-N354 WeakPolarHBondContact CE1-OD1 3.38Å; Y349-N354 PolarHBondContact O-N 3.15Å; I352-N354 PolarHBondContact O-N 2.86Å
355	K	94.7	Very high	95.4	Very high	132 Å²	132	40.2 Å²	40.2	57%	0.574	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-23.6	-175.1	-64	-176.5	-172.8	161.1	0	113.1	N351 I352	N351-K355 WeakPolarHBondContact O-CD 3.38Å; N351-K355 PolarHBondContact OD1-NZ 2.82Å; I352-K355 PolarHBondContact O-N 2.75Å
356	H	94.9	Very high	95.6	Very high	44 Å²	44	33.9 Å²	33.9	20%	0.204	17%	0.166	C	C	.	.			trans	-124.4	85.3	-172.6	-58.1	-51.7	0	0	0	110.9	I352 W358 V359 T392	I352-H356 WeakPolarHBondContact O-CB 3.21Å; I352-H356 PolarHBondContact O-N 2.85Å; H356-W358 HydrophobicContact CB-CD2 4.39Å; H356-W358 HydrophobicContact CB-CZ2 3.9Å; H356-W358 AromaticContact CG-CZ2 3.9Å; H356-W358 AromaticContact ND1-NE1 3.96Å; H356-W358 PolarHBondContact O-N 3.36Å; H356-V359 HydrophobicContact CB-CB 4.44Å; H356-V359 HydrophobicContact CB-CG2 3.72Å; H356-V359 WeakPolarHBondContact O-CB 3.42Å; H356-V359 PolarHBondContact O-N 3.19Å; H356-T392 VanDerWaalsContact CD2-CG2 3.43Å; H356-T392 WeakPolarHBondContact CD2-CG2 3.26Å
357	H	92.7	Very high	95.6	Very high	168 Å²	168	35.6 Å²	35.6	78%	0.778	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-14	-179.5	71	82.1	0	0	0	115.2
358	W	93.5	Very high	95.6	Very high	10 Å²	10	36.3 Å²	36.3	4%	0.038	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-5.7	177.2	52.5	-94.6	0	0	0	113.1	H356 S381 F382 Y385 R388 L389	H356-W358 HydrophobicContact CB-CD2 4.39Å; H356-W358 HydrophobicContact CB-CZ2 3.9Å; H356-W358 AromaticContact CG-CZ2 3.9Å; H356-W358 AromaticContact ND1-NE1 3.96Å; H356-W358 PolarHBondContact O-N 3.36Å; W358-S381 WeakPolarHBondContact O-CB 3.27Å; W358-F382 HydrophobicContact CB-CD2 4.11Å; W358-F382 HydrophobicContact CB-CE2 4.22Å; W358-Y385 HydrophobicContact CB-CD2 4.07Å; W358-Y385 HydrophobicContact CB-CE2 4.2Å; W358-Y385 HydrophobicContact CB-CG 4.49Å; W358-Y385 HydrophobicContact CD2-CD1 4.37Å; W358-Y385 HydrophobicContact CD2-CG 4.18Å; W358-Y385 HydrophobicContact CE3-CG 4.01Å; W358-Y385 HydrophobicContact CG-CD2 4.43Å; W358-Y385 HydrophobicContact CG-CG 4.39Å; W358-R388 HydrophobicContact CH2-CB 3.97Å; W358-R388 HydrophobicContact CH2-CG 3.83Å; W358-R388 HydrophobicContact CZ2-CB 4.41Å; W358-R388 HydrophobicContact CZ2-CG 3.83Å; W358-R388 HydrophobicContact CZ3-CB 4.38Å; W358-L389 HydrophobicContact CZ3-CB 4Å; W358-L389 HydrophobicContact CZ3-CD1 4.37Å
359	V	95.8	Very high	95.5	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.3	172.4	-176.1	0	0	0	0	109	S334 I352 L353 H356 S361 A362 L389	S334-V359 PolarHBondContact OG-O 3Å; I352-V359 HydrophobicContact CG2-CB 4.23Å; I352-V359 HydrophobicContact CG2-CG1 3.93Å; I352-V359 HydrophobicContact CG2-CG2 3.98Å; L353-V359 HydrophobicContact CD2-CB 4.38Å; L353-V359 HydrophobicContact CD2-CG1 3.78Å; H356-V359 HydrophobicContact CB-CB 4.44Å; H356-V359 HydrophobicContact CB-CG2 3.72Å; H356-V359 WeakPolarHBondContact O-CB 3.42Å; H356-V359 PolarHBondContact O-N 3.19Å; V359-S361 VanDerWaalsContact CG1-O 3.27Å; V359-S361 WeakPolarHBondContact CG1-O 3.47Å; V359-A362 HydrophobicContact CG1-CB 4.42Å; V359-L389 HydrophobicContact CG1-CD1 4.08Å; V359-L389 HydrophobicContact CG2-CD1 4.05Å
360	N	94.3	Very high	95.3	Very high	28 Å²	28	37.7 Å²	37.7	15%	0.15	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-38.4	178.7	-179.6	55.6	0	0	0	112.5	Y302 G333 S334 S380	Y302-N360 HydrophobicContact CD1-CB 3.87Å; Y302-N360 HydrophobicContact CD2-CB 4.24Å; Y302-N360 HydrophobicContact CE1-CB 3.58Å; Y302-N360 HydrophobicContact CE2-CB 3.97Å; Y302-N360 VanDerWaalsContact CE2-CG 3.48Å; Y302-N360 HydrophobicContact CG-CB 4.18Å; G333-N360 WeakPolarHBondContact CA-O 3.47Å; S334-N360 WeakPolarHBondContact CB-O 3.38Å; S334-N360 PolarHBondContact N-O 3.25Å; S334-N360 PolarHBondContact OG-O 2.8Å; N360-S380 PolarHBondContact N-O 2.83Å
361	S	95.4	Very high	95.2	Very high	20 Å²	20	37.7 Å²	37.7	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	154.1	174.4	68.3	0	0	0	0	111.2	G332 V359 G379 S380	G332-S361 VanDerWaalsContact O-CA 3.26Å; G332-S361 WeakPolarHBondContact O-CA 3.45Å; G332-S361 WeakPolarHBondContact O-CB 3.26Å; V359-S361 VanDerWaalsContact CG1-O 3.27Å; V359-S361 WeakPolarHBondContact CG1-O 3.47Å; S361-G379 CarbonylContact O-C 3.59Å; S361-G379 WeakPolarHBondContact O-CA 3.46Å; S361-S380 PolarHBondContact N-O 3.21Å; S361-S380 PolarHBondContact O-N 2.92Å; S361-S380 WeakPolarHBondContact OG-CB 3.27Å; S361-S380 PolarHBondContact OG-OG 3.29Å
362	A	97.1	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	122.5	171.9	0	0	0	0	0	107	G331 G332 L348 I352 L353 V359 I378 L393	G331-A362 CarbonylContact C-O 3.55Å; G331-A362 WeakPolarHBondContact CA-O 3.34Å; G332-A362 PolarHBondContact N-O 2.85Å; G332-A362 PolarHBondContact O-N 2.89Å; L348-A362 HydrophobicContact CB-CB 4.39Å; I352-A362 HydrophobicContact CB-CB 4.33Å; I352-A362 HydrophobicContact CD1-CB 4.32Å; I352-A362 HydrophobicContact CG2-CB 4.06Å; L353-A362 HydrophobicContact CD2-CB 3.99Å; L353-A362 HydrophobicContact CG-CB 4.45Å; V359-A362 HydrophobicContact CG1-CB 4.42Å; A362-I378 CarbonylContact C-O 3.6Å; A362-I378 VanDerWaalsContact CA-O 3.27Å; A362-I378 WeakPolarHBondContact CA-O 3.42Å; A362-L393 HydrophobicContact CB-CD2 4.37Å
363	Q	96.2	Very high	95.1	Very high	33 Å²	33	36.5 Å²	36.5	15%	0.154	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	147.6	-179.1	70.3	-168.6	4.9	0	0	112.1	E186 G330 L348 E365 V377 I378	E186-Q363 PolarHBondContact OE1-NE2 2.88Å; E186-Q363 PolarHBondContact OE1-OE1 3.1Å; G330-Q363 WeakPolarHBondContact O-CA 3.46Å; L348-Q363 VanDerWaalsContact CD1-C 3.48Å; Q363-E365 HydrophobicContact CG-CG 4.5Å; Q363-E365 PolarHBondContact NE2-OE1 2.78Å; Q363-V377 CarbonylContact O-C 3.46Å; Q363-V377 WeakPolarHBondContact O-CA 3.43Å; Q363-I378 HydrophobicContact CG-CB 4.41Å; Q363-I378 PolarHBondContact N-O 2.9Å; Q363-I378 PolarHBondContact O-N 2.64Å
364	A	97.5	Very high	95.2	Very high	3 Å²	3	35.9 Å²	35.9	3%	0.025	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.1	169.2	0	0	0	0	0	110	H326 L329 G330 L348 F375 T376 V377	H326-A364 PolarHBondContact CD2-O 3.07Å; H326-A364 PolarHBondContact NE2-O 3.36Å; H326-A364 VanDerWaalsContact NE2-O 3.11Å; L329-A364 HydrophobicContact CB-CB 3.65Å; L329-A364 HydrophobicContact CD1-CB 4.16Å; G330-A364 PolarHBondContact O-N 2.98Å; L348-A364 HydrophobicContact CD1-CB 3.93Å; L348-A364 VanDerWaalsContact CD1-N 3.33Å; A364-F375 HydrophobicContact CB-CE1 4.23Å; A364-F375 HydrophobicContact CB-CZ 3.97Å; A364-T376 CarbonylContact C-O 3.58Å; A364-T376 VanDerWaalsContact CA-O 3.28Å; A364-T376 WeakPolarHBondContact CA-O 3.2Å; A364-V377 HydrophobicContact CB-CG2 4.48Å
365	E	96.9	Very high	95.4	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.1	174.3	-59.1	-178.3	-172.7	0	0	109.6	N190 Q363 H367 F375 T376 I378	N190-E365 PolarHBondContact ND2-OE2 3.1Å; Q363-E365 HydrophobicContact CG-CG 4.5Å; Q363-E365 PolarHBondContact NE2-OE1 2.78Å; E365-H367 IonicContact OE2-CE1 2.77Å; E365-H367 IonicContact OE2-NE2 3.46Å; E365-H367 PolarHBondContact OE2-NE2 3.38Å; E365-F375 CarbonylContact O-C 3.49Å; E365-F375 WeakPolarHBondContact O-CA 3.43Å; E365-T376 PolarHBondContact N-O 2.85Å; E365-T376 PolarHBondContact O-N 2.79Å; E365-I378 WeakPolarHBondContact OE1-CD1 3.38Å
366	N	97	Very high	95.6	Very high	27 Å²	27	24.9 Å²	24.9	14%	0.144	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.9	175.4	-179.8	43.7	0	0	0	109.7	S311 H326 F375	S311-N366 PolarHBondContact OG-OD1 2.99Å; H326-N366 HydrophobicContact CB-CB 4.1Å; N366-F375 HydrophobicContact CB-CD2 3.96Å; N366-F375 HydrophobicContact CB-CE2 4.23Å
367	H	96.6	Very high	95.7	Very high	41 Å²	41	22.8 Å²	22.8	19%	0.19	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.9	173.9	-58.4	-68.5	0	0	0	108.5	N190 E365 Y369 G373 L374	N190-H367 PolarHBondContact ND2-CE1 2.9Å; N190-H367 PolarHBondContact ND2-NE2 3.04Å; E365-H367 IonicContact OE2-CE1 2.77Å; E365-H367 IonicContact OE2-NE2 3.46Å; E365-H367 PolarHBondContact OE2-NE2 3.38Å; H367-Y369 HydrophobicContact CB-CE2 4.08Å; H367-G373 CarbonylContact O-C 3.56Å; H367-G373 WeakPolarHBondContact O-CA 3.5Å; H367-L374 HydrophobicContact CB-CB 4.25Å; H367-L374 PolarHBondContact N-O 3.34Å; H367-L374 PolarHBondContact O-N 3.45Å
368	A	95.6	Very high	96	Very high	19 Å²	19	15 Å²	15	16%	0.157	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.5	-179.5	0	0	0	0	0	110.7	Y314 F319	Y314-A368 HydrophobicContact CD1-CB 4.29Å; F319-A368 HydrophobicContact CD2-CB 3.99Å; F319-A368 HydrophobicContact CE2-CB 3.56Å
369	Y	95.1	Very high	96.2	Very high	20 Å²	20	14.5 Å²	14.5	8%	0.078	8%	0.082	C	C	.	.			trans	-118.7	179.9	-180	-58.5	-73.4	0	0	0	110.6	R130 H194 L203 S313 Y314 H367 D371 T372	R130-Y369 HydrophobicContact CB-CE1 4.3Å; H194-Y369 AromaticContact NE2-CE2 3.59Å; H194-Y369 AromaticContact NE2-CZ 3.62Å; H194-Y369 PolarHBondContact NE2-OH 2.82Å; L203-Y369 HydrophobicContact CD1-CD1 4.39Å; L203-Y369 HydrophobicContact CD1-CD2 3.34Å; L203-Y369 HydrophobicContact CD1-CE2 3.76Å; L203-Y369 HydrophobicContact CD1-CG 3.7Å; L203-Y369 HydrophobicContact CD2-CD1 3.71Å; L203-Y369 HydrophobicContact CD2-CD2 4.1Å; L203-Y369 HydrophobicContact CD2-CE1 3.78Å; L203-Y369 HydrophobicContact CD2-CE2 4.15Å; L203-Y369 HydrophobicContact CD2-CG 3.88Å; L203-Y369 HydrophobicContact CG-CD2 4.35Å; L203-Y369 HydrophobicContact CG-CE2 4.5Å; L203-Y369 HydrophobicContact CG-CG 4.46Å; S313-Y369 WeakPolarHBondContact CA-O 3.3Å; S313-Y369 WeakPolarHBondContact CB-O 3.32Å; Y314-Y369 VanDerWaalsContact CD1-O 3.31Å; Y314-Y369 WeakPolarHBondContact CD1-O 3.3Å; Y314-Y369 WeakPolarHBondContact CE1-O 3.5Å; Y314-Y369 PolarHBondContact N-O 2.8Å; H367-Y369 HydrophobicContact CB-CE2 4.08Å; Y369-D371 PolarHBondContact O-N 3.09Å; Y369-T372 CarbonylContact C-O 3.47Å; Y369-T372 WeakPolarHBondContact CA-O 3.27Å; Y369-T372 WeakPolarHBondContact CB-O 3.05Å; Y369-T372 HydrophobicContact CD2-CG2 4.36Å; Y369-T372 PolarHBondContact N-O 2.85Å
370	A	91.4	Very high	96.2	Very high	30 Å²	30	14.6 Å²	14.6	25%	0.248	8%	0.082	C	C	.	.	S	Bend	trans	-60.1	-32.3	-177.6	0	0	0	0	0	113.9	S313 Y314 T441	S313-A370 VanDerWaalsContact CB-O 3.3Å; S313-A370 WeakPolarHBondContact CB-O 3.49Å; Y314-A370 WeakPolarHBondContact OH-CA 3.09Å; Y314-A370 VanDerWaalsContact OH-CB 3.23Å; Y314-A370 WeakPolarHBondContact OH-CB 3.4Å; Y314-A370 PolarHBondContact OH-N 2.78Å; A370-T441 HydrophobicContact CB-CG2 4.31Å
371	D	92.2	Very high	96.3	Very high	48 Å²	48	13.2 Å²	13.2	26%	0.257	8%	0.075	S	C	.	.	S	Bend	trans	-132.8	-7.3	-166.5	60.8	-28.3	0	0	0	114.2	R83 V278 S279 Y369	R83-D371 IonicContact CZ-OD1 3.21Å; R83-D371 IonicContact CZ-OD2 3.55Å; R83-D371 IonicContact NH1-OD1 3.75Å; R83-D371 PolarHBondContact NH1-OD1 3.11Å; R83-D371 IonicContact NH1-OD2 3.92Å; R83-D371 IonicContact NH2-OD1 3.61Å; R83-D371 PolarHBondContact NH2-OD1 3.21Å; R83-D371 VanDerWaalsContact NH2-OD1 3.09Å; R83-D371 IonicContact NH2-OD2 3.9Å; R83-D371 PolarHBondContact NH2-OD2 3.17Å; V278-D371 WeakPolarHBondContact CA-OD2 3.36Å; V278-D371 HydrophobicContact CG1-CB 4.2Å; S279-D371 PolarHBondContact N-OD2 2.97Å; S279-D371 PolarHBondContact OG-OD2 2.71Å; Y369-D371 PolarHBondContact O-N 3.09Å
372	T	95.4	Very high	96.2	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.081	C	C	.	.			trans	-158.2	-179.8	178.6	-170.9	0	0	0	0	110	Y198 L203 E310 C312 S313 Y369	Y198-T372 HydrophobicContact CE1-CG2 3.78Å; Y198-T372 WeakPolarHBondContact OH-CG2 3.49Å; Y198-T372 PolarHBondContact OH-OG1 3.34Å; L203-T372 HydrophobicContact CD1-CG2 3.4Å; L203-T372 VanDerWaalsContact CD1-CG2 3.4Å; E310-T372 PolarHBondContact OE1-OG1 2.76Å; E310-T372 VanDerWaalsContact OE1-OG1 3.07Å; C312-T372 CarbonylContact O-C 3.47Å; S313-T372 WeakPolarHBondContact CA-O 3.29Å; Y369-T372 CarbonylContact C-O 3.47Å; Y369-T372 WeakPolarHBondContact CA-O 3.27Å; Y369-T372 WeakPolarHBondContact CB-O 3.05Å; Y369-T372 HydrophobicContact CD2-CG2 4.36Å; Y369-T372 PolarHBondContact N-O 2.85Å
373	G	96.1	Very high	96.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	167.4	172.2	0	0	0	0	0	111.7	Y198 S311 C312 H367	Y198-G373 PolarHBondContact OH-O 2.83Å; S311-G373 PolarHBondContact N-O 3.19Å; C312-G373 WeakPolarHBondContact O-CA 3.36Å; H367-G373 CarbonylContact O-C 3.56Å; H367-G373 WeakPolarHBondContact O-CA 3.5Å
374	L	97.5	Very high	96.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	109.6	178.2	-176.6	67.4	0	0	0	108.8	L193 A197 Y281 H367 T376	L193-L374 HydrophobicContact CB-CD2 4.15Å; A197-L374 HydrophobicContact CB-CD1 3.98Å; Y281-L374 HydrophobicContact CD2-CD1 4.47Å; Y281-L374 HydrophobicContact CE2-CD1 3.81Å; H367-L374 HydrophobicContact CB-CB 4.25Å; H367-L374 PolarHBondContact N-O 3.34Å; H367-L374 PolarHBondContact O-N 3.45Å; L374-T376 HydrophobicContact CD1-CG2 4.17Å; L374-T376 HydrophobicContact CD2-CG2 3.97Å; L374-T376 HydrophobicContact CG-CG2 3.58Å
375	F	98.1	Very high	96	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.2	172.9	-167.1	-83.3	0	0	0	108.6	G308 F309 L325 H326 L329 A364 E365 N366 V377 M470	G308-F375 CarbonylContact C-O 3.48Å; G308-F375 VanDerWaalsContact CA-O 3.3Å; G308-F375 WeakPolarHBondContact CA-O 3.29Å; F309-F375 PolarHBondContact N-O 3.17Å; F309-F375 PolarHBondContact O-N 2.91Å; L325-F375 HydrophobicContact CB-CE2 4.29Å; L325-F375 HydrophobicContact CB-CZ 4.5Å; L325-F375 HydrophobicContact CD2-CD2 4.47Å; L325-F375 HydrophobicContact CD2-CE1 4.36Å; L325-F375 HydrophobicContact CD2-CE2 3.96Å; L325-F375 HydrophobicContact CD2-CZ 3.92Å; L325-F375 HydrophobicContact CG-CE2 3.97Å; L325-F375 HydrophobicContact CG-CZ 3.77Å; H326-F375 HydrophobicContact CB-CE2 3.94Å; H326-F375 HydrophobicContact CB-CZ 4.43Å; L329-F375 HydrophobicContact CD1-CE1 3.8Å; L329-F375 HydrophobicContact CD1-CZ 3.86Å; A364-F375 HydrophobicContact CB-CE1 4.23Å; A364-F375 HydrophobicContact CB-CZ 3.97Å; E365-F375 CarbonylContact O-C 3.49Å; E365-F375 WeakPolarHBondContact O-CA 3.43Å; N366-F375 HydrophobicContact CB-CD2 3.96Å; N366-F375 HydrophobicContact CB-CE2 4.23Å; F375-V377 HydrophobicContact CE1-CG2 4.3Å; F375-M470 HydrophobicContact CB-CE 4.35Å; F375-M470 HydrophobicContact CB-SD 3.67Å; F375-M470 HydrophobicContact CD1-CE 4.28Å; F375-M470 HydrophobicContact CG-CE 4.17Å; F375-M470 HydrophobicContact CG-SD 4.12Å
376	T	98	Very high	96	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.1	-173.9	73.2	0	0	0	0	111.9	L193 I307 A364 E365 L374	L193-T376 HydrophobicContact CD1-CG2 3.94Å; L193-T376 HydrophobicContact CD2-CG2 4.13Å; L193-T376 HydrophobicContact CG-CG2 4.45Å; I307-T376 CarbonylContact O-C 3.43Å; I307-T376 WeakPolarHBondContact O-CA 3.41Å; A364-T376 CarbonylContact C-O 3.58Å; A364-T376 VanDerWaalsContact CA-O 3.28Å; A364-T376 WeakPolarHBondContact CA-O 3.2Å; E365-T376 PolarHBondContact N-O 2.85Å; E365-T376 PolarHBondContact O-N 2.79Å; L374-T376 HydrophobicContact CD1-CG2 4.17Å; L374-T376 HydrophobicContact CD2-CG2 3.97Å; L374-T376 HydrophobicContact CG-CG2 3.58Å
377	V	98	Very high	95.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	117.8	166.1	-177	0	0	0	0	107.6	I307 L329 L348 Q363 A364 F375 L393 L397	I307-V377 PolarHBondContact N-O 3.41Å; I307-V377 PolarHBondContact O-N 3.06Å; L329-V377 HydrophobicContact CD1-CG2 4.41Å; L348-V377 HydrophobicContact CD1-CG1 3.97Å; L348-V377 HydrophobicContact CD2-CG1 4.03Å; Q363-V377 CarbonylContact O-C 3.46Å; Q363-V377 WeakPolarHBondContact O-CA 3.43Å; A364-V377 HydrophobicContact CB-CG2 4.48Å; F375-V377 HydrophobicContact CE1-CG2 4.3Å; V377-L393 HydrophobicContact CG1-CD1 4.37Å; V377-L393 HydrophobicContact CG1-CD2 3.77Å; V377-L393 HydrophobicContact CG1-CG 4.44Å; V377-L397 HydrophobicContact CG2-CD2 3.95Å; V377-L397 HydrophobicContact CG2-CG 4.46Å
378	I	98	Very high	95.9	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.3	-176.8	-59	173.9	0	0	0	108.5	M189 L193 V305 A362 Q363 E365	M189-I378 HydrophobicContact CB-CD1 4.08Å; M189-I378 HydrophobicContact CB-CG2 4.34Å; M189-I378 HydrophobicContact CE-CG2 4.19Å; M189-I378 HydrophobicContact CG-CG2 4.21Å; L193-I378 HydrophobicContact CD1-CD1 3.61Å; L193-I378 HydrophobicContact CD1-CG1 3.83Å; V305-I378 CarbonylContact O-C 3.54Å; V305-I378 VanDerWaalsContact O-CA 3.27Å; V305-I378 WeakPolarHBondContact O-CA 3.28Å; A362-I378 CarbonylContact C-O 3.6Å; A362-I378 VanDerWaalsContact CA-O 3.27Å; A362-I378 WeakPolarHBondContact CA-O 3.42Å; Q363-I378 HydrophobicContact CG-CB 4.41Å; Q363-I378 PolarHBondContact N-O 2.9Å; Q363-I378 PolarHBondContact O-N 2.64Å; E365-I378 WeakPolarHBondContact OE1-CD1 3.38Å
379	G	97.3	Very high	96.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.5	175.2	0	0	0	0	0	112.8	H304 V305 S361	H304-G379 CarbonylContact C-O 3.52Å; H304-G379 WeakPolarHBondContact CA-O 3.39Å; V305-G379 PolarHBondContact N-O 2.86Å; V305-G379 PolarHBondContact O-N 2.86Å; S361-G379 CarbonylContact O-C 3.59Å; S361-G379 WeakPolarHBondContact O-CA 3.46Å
380	S	96.7	Very high	96.2	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.028	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.5	176.9	-45.3	0	0	0	0	110.1	A303 H304 N360 S361	A303-S380 WeakPolarHBondContact O-CA 3.44Å; H304-S380 VanDerWaalsContact ND1-CB 3.33Å; H304-S380 WeakPolarHBondContact ND1-CB 3.5Å; H304-S380 PolarHBondContact ND1-OG 3.39Å; N360-S380 PolarHBondContact N-O 2.83Å; S361-S380 PolarHBondContact N-O 3.21Å; S361-S380 PolarHBondContact O-N 2.92Å; S361-S380 WeakPolarHBondContact OG-CB 3.27Å; S361-S380 PolarHBondContact OG-OG 3.29Å
381	S	95.8	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	174.7	176.9	68	0	0	0	0	110.7	Y302 A303 W358	Y302-S381 CarbonylContact C-O 3.01Å; Y302-S381 WeakPolarHBondContact CA-O 3.36Å; A303-S381 PolarHBondContact N-O 3.34Å; A303-S381 PolarHBondContact O-N 3.24Å; W358-S381 WeakPolarHBondContact O-CB 3.27Å
382	F	94.5	Very high	96.6	Very high	60 Å²	60	25.2 Å²	25.2	26%	0.263	12%	0.117	S	C	.	.			trans	-60.7	143.7	170.3	-53.6	-69.5	0	0	0	110.1	P300 Y302 W358 T384 Y385	P300-F382 HydrophobicContact CB-CD1 4.21Å; P300-F382 HydrophobicContact CB-CE1 3.64Å; P300-F382 HydrophobicContact CG-CE1 3.71Å; Y302-F382 HydrophobicContact CD1-CD1 4.09Å; Y302-F382 HydrophobicContact CD1-CE1 4.36Å; Y302-F382 AromaticContact CE1-CD1 3.81Å; Y302-F382 HydrophobicContact CE1-CD1 3.81Å; Y302-F382 AromaticContact CE1-CE1 3.64Å; Y302-F382 HydrophobicContact CE1-CE1 3.64Å; Y302-F382 HydrophobicContact CE1-CG 4.49Å; Y302-F382 HydrophobicContact CE1-CZ 4.19Å; W358-F382 HydrophobicContact CB-CD2 4.11Å; W358-F382 HydrophobicContact CB-CE2 4.22Å; F382-T384 PolarHBondContact O-N 3.01Å; F382-Y385 HydrophobicContact CB-CD2 4.15Å; F382-Y385 HydrophobicContact CD2-CD2 4.11Å; F382-Y385 HydrophobicContact CD2-CE2 4.34Å; F382-Y385 PolarHBondContact O-N 3.28Å
383	P	94.7	Very high	96.7	Very high	10 Å²	10	25.1 Å²	25.1	7%	0.065	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-50.6	-34.6	-178.1	-30.8	35.1	0	0	0	114.8	E301 A303 Y385 L386 R483	E301-P383 HydrophobicContact CG-CG 4.25Å; E301-P383 VanDerWaalsContact O-CD 3.29Å; E301-P383 WeakPolarHBondContact O-CD 3.28Å; A303-P383 HydrophobicContact CB-CB 4.33Å; A303-P383 HydrophobicContact CB-CG 4.14Å; P383-Y385 PolarHBondContact O-N 3.18Å; P383-L386 PolarHBondContact O-N 3.2Å; P383-R483 HydrophobicContact CB-CB 3.73Å; P383-R483 HydrophobicContact CG-CB 3.89Å
384	T	95.2	Very high	96.7	Very high	93 Å²	93	25.1 Å²	25.1	57%	0.571	12%	0.117	S	C	*	.	G	3₁₀ helix	trans	-69	-14.4	-179.6	51.9	0	0	0	0	114.8	F382	F382-T384 PolarHBondContact O-N 3.01Å
385	Y	96	Very high	96.6	Very high	85 Å²	85	27.5 Å²	27.5	33%	0.333	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-111.2	13.5	-179.7	-69.1	-73.8	0	0	0	113.1	W358 F382 P383 D387 R388 L389	W358-Y385 HydrophobicContact CB-CD2 4.07Å; W358-Y385 HydrophobicContact CB-CE2 4.2Å; W358-Y385 HydrophobicContact CB-CG 4.49Å; W358-Y385 HydrophobicContact CD2-CD1 4.37Å; W358-Y385 HydrophobicContact CD2-CG 4.18Å; W358-Y385 HydrophobicContact CE3-CG 4.01Å; W358-Y385 HydrophobicContact CG-CD2 4.43Å; W358-Y385 HydrophobicContact CG-CG 4.39Å; F382-Y385 HydrophobicContact CB-CD2 4.15Å; F382-Y385 HydrophobicContact CD2-CD2 4.11Å; F382-Y385 HydrophobicContact CD2-CE2 4.34Å; F382-Y385 PolarHBondContact O-N 3.28Å; P383-Y385 PolarHBondContact O-N 3.18Å; Y385-D387 VanDerWaalsContact C-N 3.34Å; Y385-D387 PolarHBondContact O-N 3.14Å; Y385-R388 HydrophobicContact CD1-CB 4.46Å; Y385-R388 CarbonylContact O-C 3.56Å; Y385-R388 WeakPolarHBondContact O-CA 3.27Å; Y385-R388 WeakPolarHBondContact O-CB 3.48Å; Y385-R388 PolarHBondContact O-N 3.36Å; Y385-L389 PolarHBondContact O-N 3.13Å
386	L	95.9	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.9	-36.9	-172.2	-152.4	67.2	0	0	0	113.6	A303 V305 P383 L389 V390 V484 K486 L487	A303-L386 HydrophobicContact CB-CD1 3.71Å; A303-L386 HydrophobicContact CB-CD2 4.21Å; V305-L386 HydrophobicContact CG2-CD1 3.39Å; V305-L386 HydrophobicContact CG2-CD2 4.23Å; V305-L386 HydrophobicContact CG2-CG 3.56Å; P383-L386 PolarHBondContact O-N 3.2Å; L386-L389 HydrophobicContact CD1-CD2 4.35Å; L386-L389 WeakPolarHBondContact O-CB 3.45Å; L386-L389 PolarHBondContact O-N 3.14Å; L386-V390 PolarHBondContact O-N 2.83Å; L386-V390 VanDerWaalsContact O-N 3.1Å; L386-V484 HydrophobicContact CD2-CB 4.18Å; L386-V484 HydrophobicContact CD2-CG1 4.01Å; L386-K486 HydrophobicContact CB-CB 3.94Å; L386-L487 HydrophobicContact CD2-CB 3.84Å; L386-L487 HydrophobicContact CD2-CD1 3.97Å; L386-L487 HydrophobicContact CG-CD1 4.2Å
387	D	96.4	Very high	96.4	Very high	72 Å²	72	28.2 Å²	28.2	39%	0.385	13%	0.131	S	C	.	.	H	α-helix	trans	-61	-45.2	171.1	59.7	-26.8	0	0	0	111.6	Y385 L389 V390 Y391 K486	Y385-D387 VanDerWaalsContact C-N 3.34Å; Y385-D387 PolarHBondContact O-N 3.14Å; D387-L389 VanDerWaalsContact C-N 3.32Å; D387-L389 PolarHBondContact O-N 3.2Å; D387-V390 PolarHBondContact O-N 3.1Å; D387-Y391 PolarHBondContact O-N 2.89Å; D387-K486 WeakPolarHBondContact CA-O 3.18Å; D387-K486 WeakPolarHBondContact CB-O 3.24Å; D387-K486 PolarHBondContact N-O 3.43Å
388	R	97	Very high	96.1	Very high	128 Å²	128	29.2 Å²	29.2	48%	0.483	14%	0.136	S	C	.	.	H	α-helix	trans	-66.6	-36.2	178.2	-157.9	178.8	-169.8	174.4	4.1	111.5	W358 Y385 Y391 T392	W358-R388 HydrophobicContact CH2-CB 3.97Å; W358-R388 HydrophobicContact CH2-CG 3.83Å; W358-R388 HydrophobicContact CZ2-CB 4.41Å; W358-R388 HydrophobicContact CZ2-CG 3.83Å; W358-R388 HydrophobicContact CZ3-CB 4.38Å; Y385-R388 HydrophobicContact CD1-CB 4.46Å; Y385-R388 CarbonylContact O-C 3.56Å; Y385-R388 WeakPolarHBondContact O-CA 3.27Å; Y385-R388 WeakPolarHBondContact O-CB 3.48Å; Y385-R388 PolarHBondContact O-N 3.36Å; R388-Y391 PolarHBondContact O-N 2.87Å; R388-T392 WeakPolarHBondContact O-CB 3.37Å; R388-T392 PolarHBondContact O-N 3.34Å; R388-T392 PolarHBondContact O-OG1 2.86Å; R388-T392 VanDerWaalsContact O-OG1 3.09Å
389	L	97.8	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.2	-51	174.3	-179.9	61.2	0	0	0	110.4	V305 W358 V359 Y385 L386 D387 Y391 T392 L393	V305-L389 HydrophobicContact CB-CD2 4.11Å; V305-L389 HydrophobicContact CG2-CD2 4.04Å; W358-L389 HydrophobicContact CZ3-CB 4Å; W358-L389 HydrophobicContact CZ3-CD1 4.37Å; V359-L389 HydrophobicContact CG1-CD1 4.08Å; V359-L389 HydrophobicContact CG2-CD1 4.05Å; Y385-L389 PolarHBondContact O-N 3.13Å; L386-L389 HydrophobicContact CD1-CD2 4.35Å; L386-L389 WeakPolarHBondContact O-CB 3.45Å; L386-L389 PolarHBondContact O-N 3.14Å; D387-L389 VanDerWaalsContact C-N 3.32Å; D387-L389 PolarHBondContact O-N 3.2Å; L389-Y391 VanDerWaalsContact C-N 3.27Å; L389-Y391 PolarHBondContact O-N 2.71Å; L389-T392 PolarHBondContact O-N 3.45Å; L389-T392 VanDerWaalsContact O-N 3.15Å; L389-L393 HydrophobicContact CD1-CD1 4.44Å; L389-L393 HydrophobicContact CD1-CD2 4.34Å; L389-L393 HydrophobicContact CD1-CG 4.15Å; L389-L393 HydrophobicContact CG-CD1 4.28Å; L389-L393 HydrophobicContact CG-CG 4.37Å; L389-L393 WeakPolarHBondContact O-CG 3.14Å; L389-L393 PolarHBondContact O-N 3.11Å
390	V	97.6	Very high	95.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-47	175.7	172.5	0	0	0	0	110.4	V305 I307 L386 D387 T392 L393 V394 L478 L487 P488 T493	V305-V390 HydrophobicContact CB-CG2 4.48Å; V305-V390 HydrophobicContact CG1-CG2 3.61Å; V305-V390 HydrophobicContact CG2-CG2 4.1Å; I307-V390 HydrophobicContact CD1-CG1 4.26Å; L386-V390 PolarHBondContact O-N 2.83Å; L386-V390 VanDerWaalsContact O-N 3.1Å; D387-V390 PolarHBondContact O-N 3.1Å; V390-T392 PolarHBondContact O-N 3.1Å; V390-L393 PolarHBondContact O-N 3.11Å; V390-V394 HydrophobicContact CG1-CG2 4.3Å; V390-V394 WeakPolarHBondContact O-CB 3.27Å; V390-V394 VanDerWaalsContact O-CG2 3.31Å; V390-V394 WeakPolarHBondContact O-CG2 3.33Å; V390-V394 PolarHBondContact O-N 2.7Å; V390-L478 HydrophobicContact CG2-CD1 4.22Å; V390-L487 HydrophobicContact CG2-CD1 4.06Å; V390-P488 HydrophobicContact CB-CG 3.84Å; V390-P488 HydrophobicContact CG1-CG 3.77Å; V390-P488 HydrophobicContact CG2-CG 3.76Å; V390-T493 HydrophobicContact CG1-CG2 4.03Å
391	Y	96.4	Very high	95.5	Very high	60 Å²	60	33.9 Å²	33.9	24%	0.235	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-46.8	178.4	177.1	-87.2	0	0	0	112.2	D387 R388 L389 V394 E395 L496	D387-Y391 PolarHBondContact O-N 2.89Å; R388-Y391 PolarHBondContact O-N 2.87Å; L389-Y391 VanDerWaalsContact C-N 3.27Å; L389-Y391 PolarHBondContact O-N 2.71Å; Y391-V394 PolarHBondContact O-N 2.83Å; Y391-E395 HydrophobicContact CE1-CB 4.29Å; Y391-E395 VanDerWaalsContact CE1-OE2 3.3Å; Y391-E395 WeakPolarHBondContact CE1-OE2 3.29Å; Y391-E395 VanDerWaalsContact O-CB 3.28Å; Y391-E395 WeakPolarHBondContact O-CB 3.34Å; Y391-E395 PolarHBondContact O-N 3.35Å; Y391-L496 HydrophobicContact CD2-CD1 3.69Å; Y391-L496 HydrophobicContact CD2-CD2 3.75Å; Y391-L496 HydrophobicContact CD2-CG 4.38Å; Y391-L496 HydrophobicContact CE2-CD1 3.73Å; Y391-L496 HydrophobicContact CG-CD2 4.37Å
392	T	97.1	Very high	95.2	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.043	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-42.1	179.6	-67.1	0	0	0	0	112.2	I352 H356 R388 L389 V390 E395 E396	I352-T392 HydrophobicContact CB-CG2 4.45Å; I352-T392 HydrophobicContact CD1-CG2 4.14Å; I352-T392 HydrophobicContact CG1-CG2 4.05Å; I352-T392 HydrophobicContact CG2-CG2 3.9Å; H356-T392 VanDerWaalsContact CD2-CG2 3.43Å; H356-T392 WeakPolarHBondContact CD2-CG2 3.26Å; R388-T392 WeakPolarHBondContact O-CB 3.37Å; R388-T392 PolarHBondContact O-N 3.34Å; R388-T392 PolarHBondContact O-OG1 2.86Å; R388-T392 VanDerWaalsContact O-OG1 3.09Å; L389-T392 PolarHBondContact O-N 3.45Å; L389-T392 VanDerWaalsContact O-N 3.15Å; V390-T392 PolarHBondContact O-N 3.1Å; T392-E395 PolarHBondContact O-N 3.38Å; T392-E396 PolarHBondContact O-N 2.88Å
393	L	97.3	Very high	95.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.1	-44.7	176.2	-65.4	-177.2	0	0	0	111.2	V305 I307 I352 A362 V377 L389 V390 E396 L397	V305-L393 HydrophobicContact CG1-CD1 4.33Å; I307-L393 HydrophobicContact CD1-CB 3.89Å; I307-L393 HydrophobicContact CD1-CD1 4.29Å; I352-L393 HydrophobicContact CD1-CD2 3.64Å; A362-L393 HydrophobicContact CB-CD2 4.37Å; V377-L393 HydrophobicContact CG1-CD1 4.37Å; V377-L393 HydrophobicContact CG1-CD2 3.77Å; V377-L393 HydrophobicContact CG1-CG 4.44Å; L389-L393 HydrophobicContact CD1-CD1 4.44Å; L389-L393 HydrophobicContact CD1-CD2 4.34Å; L389-L393 HydrophobicContact CD1-CG 4.15Å; L389-L393 HydrophobicContact CG-CD1 4.28Å; L389-L393 HydrophobicContact CG-CG 4.37Å; L389-L393 WeakPolarHBondContact O-CG 3.14Å; L389-L393 PolarHBondContact O-N 3.11Å; V390-L393 PolarHBondContact O-N 3.11Å; L393-E396 PolarHBondContact O-N 3.27Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.37Å
394	V	96.1	Very high	95	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.9	-39.1	177.8	172.3	0	0	0	0	111.5	I307 V390 Y391 E396 L397 H398 T493 L496 L497	I307-V394 HydrophobicContact CD1-CG2 3.6Å; V390-V394 HydrophobicContact CG1-CG2 4.3Å; V390-V394 WeakPolarHBondContact O-CB 3.27Å; V390-V394 VanDerWaalsContact O-CG2 3.31Å; V390-V394 WeakPolarHBondContact O-CG2 3.33Å; V390-V394 PolarHBondContact O-N 2.7Å; Y391-V394 PolarHBondContact O-N 2.83Å; V394-E396 VanDerWaalsContact C-N 3.3Å; V394-E396 PolarHBondContact O-N 3.36Å; V394-L397 PolarHBondContact O-N 3.31Å; V394-H398 WeakPolarHBondContact O-CB 3.49Å; V394-H398 PolarHBondContact O-CD2 3.16Å; V394-H398 VanDerWaalsContact O-CD2 3.31Å; V394-H398 PolarHBondContact O-N 3Å; V394-T493 HydrophobicContact CG2-CG2 4.29Å; V394-L496 HydrophobicContact CB-CD2 3.67Å; V394-L496 HydrophobicContact CB-CG 4.22Å; V394-L496 HydrophobicContact CG1-CB 4.29Å; V394-L496 HydrophobicContact CG1-CD2 3.64Å; V394-L496 HydrophobicContact CG1-CG 3.6Å; V394-L496 HydrophobicContact CG2-CD2 4.08Å; V394-L497 HydrophobicContact CB-CD2 4.49Å; V394-L497 HydrophobicContact CG1-CD2 3.72Å; V394-L497 HydrophobicContact CG1-CG 3.98Å; V394-L497 HydrophobicContact CG2-CD2 4.17Å; V394-L497 HydrophobicContact CG2-CG 4.29Å
395	E	94.7	Very high	95	Very high	50 Å²	50	36.6 Å²	36.6	23%	0.234	19%	0.187	C	C	.	.	H	α-helix	trans	-61	-40.8	174.8	-176.6	171	-141.2	0	0	111.3	Y391 T392 H398 H399 Y502	Y391-E395 HydrophobicContact CE1-CB 4.29Å; Y391-E395 VanDerWaalsContact CE1-OE2 3.3Å; Y391-E395 WeakPolarHBondContact CE1-OE2 3.29Å; Y391-E395 VanDerWaalsContact O-CB 3.28Å; Y391-E395 WeakPolarHBondContact O-CB 3.34Å; Y391-E395 PolarHBondContact O-N 3.35Å; T392-E395 PolarHBondContact O-N 3.38Å; E395-H398 WeakPolarHBondContact O-CB 3.22Å; E395-H398 PolarHBondContact O-N 2.74Å; E395-H399 WeakPolarHBondContact O-CB 3.33Å; E395-H399 PolarHBondContact O-N 3.46Å; E395-Y502 WeakPolarHBondContact OE1-CE2 3.39Å
396	E	96.1	Very high	94.9	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-68.8	-37.5	177.5	-172.6	56	-153	0	0	112.9	R347 L348 N351 I352 T392 L393 V394 H399 T400	R347-E396 WeakPolarHBondContact CB-OE1 3.41Å; L348-E396 HydrophobicContact CD2-CG 3.92Å; N351-E396 WeakPolarHBondContact CB-OE2 3.5Å; N351-E396 PolarHBondContact ND2-OE1 3.3Å; N351-E396 PolarHBondContact ND2-OE2 2.86Å; N351-E396 VanDerWaalsContact ND2-OE2 3.16Å; I352-E396 HydrophobicContact CD1-CB 4.01Å; I352-E396 HydrophobicContact CD1-CG 4.23Å; I352-E396 HydrophobicContact CG1-CB 4.41Å; I352-E396 HydrophobicContact CG1-CG 4.41Å; T392-E396 PolarHBondContact O-N 2.88Å; L393-E396 PolarHBondContact O-N 3.27Å; V394-E396 VanDerWaalsContact C-N 3.3Å; V394-E396 PolarHBondContact O-N 3.36Å; E396-H399 PolarHBondContact O-N 3.25Å; E396-H399 IonicContact OE1-CD2 2.68Å; E396-H399 IonicContact OE2-CD2 2.94Å; E396-T400 WeakPolarHBondContact O-CB 3.37Å; E396-T400 PolarHBondContact O-N 3.01Å; E396-T400 PolarHBondContact O-OG1 3.49Å
397	L	95.2	Very high	95	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-61.8	-45.5	172.3	-74.2	171.6	0	0	0	111.3	F309 L329 V377 L393 V394 T400 I401 L467 I471	F309-L397 HydrophobicContact CE2-CD1 3.75Å; F309-L397 HydrophobicContact CZ-CD1 4.07Å; L329-L397 HydrophobicContact CD1-CD2 4.32Å; V377-L397 HydrophobicContact CG2-CD2 3.95Å; V377-L397 HydrophobicContact CG2-CG 4.46Å; L393-L397 WeakPolarHBondContact O-CG 3.48Å; L393-L397 PolarHBondContact O-N 3.37Å; V394-L397 PolarHBondContact O-N 3.31Å; L397-T400 PolarHBondContact O-N 2.88Å; L397-I401 PolarHBondContact O-N 3.37Å; L397-I401 VanDerWaalsContact O-N 3.07Å; L397-L467 HydrophobicContact CD2-CD2 4.48Å; L397-I471 HydrophobicContact CB-CD1 3.88Å; L397-I471 HydrophobicContact CD1-CD1 4.45Å
398	H	92.7	Very high	95	Very high	21 Å²	21	45.8 Å²	45.8	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-44.6	174	-93.4	-71.3	0	0	0	112.7	V394 E395 T400 I401 S402 L496 L497 R505	V394-H398 WeakPolarHBondContact O-CB 3.49Å; V394-H398 PolarHBondContact O-CD2 3.16Å; V394-H398 VanDerWaalsContact O-CD2 3.31Å; V394-H398 PolarHBondContact O-N 3Å; E395-H398 WeakPolarHBondContact O-CB 3.22Å; E395-H398 PolarHBondContact O-N 2.74Å; H398-T400 PolarHBondContact O-N 3.49Å; H398-I401 PolarHBondContact O-N 3.34Å; H398-S402 WeakPolarHBondContact O-CB 3.2Å; H398-S402 PolarHBondContact O-N 3.42Å; H398-S402 PolarHBondContact O-OG 2.96Å; H398-L496 PolarHBondContact NE2-O 3.37Å; H398-L497 PolarHBondContact CE1-O 3.03Å; H398-L497 WeakPolarHBondContact NE2-CA 3.17Å; H398-L497 PolarHBondContact NE2-O 2.84Å; H398-R505 PolarHBondContact CD2-NH2 3.35Å; H398-R505 PolarHBondContact CE1-NH2 3.39Å; H398-R505 PolarHBondContact NE2-NH2 3.45Å; H398-R505 VanDerWaalsContact NE2-NH2 3.19Å
399	H	93.7	Very high	95	Very high	77 Å²	77	41.5 Å²	41.5	36%	0.356	22%	0.222	S	C	.	.	H	α-helix	trans	-59.1	-40.8	175.8	-179.9	55.2	0	0	0	110.1	E395 E396 I401 S402 S403	E395-H399 WeakPolarHBondContact O-CB 3.33Å; E395-H399 PolarHBondContact O-N 3.46Å; E396-H399 PolarHBondContact O-N 3.25Å; E396-H399 IonicContact OE1-CD2 2.68Å; E396-H399 IonicContact OE2-CD2 2.94Å; H399-I401 VanDerWaalsContact C-N 3.33Å; H399-I401 PolarHBondContact O-N 3.34Å; H399-S402 PolarHBondContact O-N 3.34Å; H399-S403 VanDerWaalsContact CE1-CB 3.48Å; H399-S403 WeakPolarHBondContact CE1-CB 3.23Å; H399-S403 PolarHBondContact CE1-OG 3.25Å; H399-S403 VanDerWaalsContact O-CB 3.22Å; H399-S403 WeakPolarHBondContact O-CB 3.33Å; H399-S403 PolarHBondContact O-N 2.98Å; H399-S403 PolarHBondContact O-OG 3.43Å
400	T	94.3	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-31.5	179.8	-58	0	0	0	0	113.7	L325 L329 R347 E396 L397 H398 H464 L467	L325-T400 HydrophobicContact CD1-CG2 4.4Å; L329-T400 HydrophobicContact CD2-CG2 4.03Å; R347-T400 VanDerWaalsContact NH1-CA 3.28Å; R347-T400 PolarHBondContact NH1-OG1 3.03Å; E396-T400 WeakPolarHBondContact O-CB 3.37Å; E396-T400 PolarHBondContact O-N 3.01Å; E396-T400 PolarHBondContact O-OG1 3.49Å; L397-T400 PolarHBondContact O-N 2.88Å; H398-T400 PolarHBondContact O-N 3.49Å; T400-H464 PolarHBondContact O-NE2 3.37Å; T400-L467 HydrophobicContact CG2-CD1 3.5Å
401	I	91.8	Very high	95	Very high	30 Å²	30	43.9 Å²	43.9	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-75.9	-40.4	174.5	-70.3	174.3	0	0	0	112.4	L397 H398 H399 L467 I471	L397-I401 PolarHBondContact O-N 3.37Å; L397-I401 VanDerWaalsContact O-N 3.07Å; H398-I401 PolarHBondContact O-N 3.34Å; H399-I401 VanDerWaalsContact C-N 3.33Å; H399-I401 PolarHBondContact O-N 3.34Å; I401-L467 HydrophobicContact CD1-CB 3.93Å; I401-L467 HydrophobicContact CG1-CB 3.53Å; I401-L467 HydrophobicContact CG1-CD1 4.01Å; I401-L467 HydrophobicContact CG1-CD2 4.49Å; I401-L467 HydrophobicContact CG1-CG 4.24Å; I401-I471 HydrophobicContact CD1-CB 4.05Å; I401-I471 HydrophobicContact CD1-CD1 3.41Å; I401-I471 VanDerWaalsContact CD1-CD1 3.41Å; I401-I471 HydrophobicContact CD1-CG1 3.85Å; I401-I471 HydrophobicContact CD1-CG2 4.5Å
402	S	89.4	Confident	95	Very high	97 Å²	97	44.8 Å²	44.8	68%	0.678	24%	0.24	S	C	*	.	H	α-helix	trans	-96	-23.9	-166	58.5	0	0	0	0	114.4	H398 H399	H398-S402 WeakPolarHBondContact O-CB 3.2Å; H398-S402 PolarHBondContact O-N 3.42Å; H398-S402 PolarHBondContact O-OG 2.96Å; H399-S402 PolarHBondContact O-N 3.34Å
403	S	91.1	Very high	95	Very high	25 Å²	25	44.6 Å²	44.6	18%	0.175	24%	0.239	C	C	.	.	S	Bend	trans	-91.7	149.5	177.4	69.9	0	0	0	0	111.2	H399 I405 H464	H399-S403 VanDerWaalsContact CE1-CB 3.48Å; H399-S403 WeakPolarHBondContact CE1-CB 3.23Å; H399-S403 PolarHBondContact CE1-OG 3.25Å; H399-S403 VanDerWaalsContact O-CB 3.22Å; H399-S403 WeakPolarHBondContact O-CB 3.33Å; H399-S403 PolarHBondContact O-N 2.98Å; H399-S403 PolarHBondContact O-OG 3.43Å; S403-I405 PolarHBondContact O-N 3.38Å; S403-H464 PolarHBondContact O-NE2 3.33Å
404	S	92.8	Very high	95.1	Very high	92 Å²	92	45.9 Å²	45.9	64%	0.643	25%	0.245	S	C	*	.			trans	-63	136	171.8	58.5	0	0	0	0	111.1	R347 E460	R347-S404 PolarHBondContact NH2-O 3.47Å; S404-E460 WeakPolarHBondContact CA-OE1 3.4Å
405	I	96	Very high	95.1	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.026	27%	0.267	C	S	.	.			trans	-86.5	112.9	170.2	-54.9	169.5	0	0	0	107.7	L328 S403 E409 L410 E460 L463	L328-I405 HydrophobicContact CD1-CG2 4.03Å; L328-I405 HydrophobicContact CD2-CD1 3.79Å; L328-I405 HydrophobicContact CD2-CG1 4.31Å; L328-I405 HydrophobicContact CD2-CG2 4.02Å; S403-I405 PolarHBondContact O-N 3.38Å; I405-E409 HydrophobicContact CG2-CB 4.19Å; I405-L410 HydrophobicContact CG2-CB 4.1Å; I405-E460 HydrophobicContact CB-CG 4.02Å; I405-E460 HydrophobicContact CD1-CG 4.31Å; I405-E460 HydrophobicContact CG1-CG 4.31Å; I405-E460 PolarHBondContact N-OE1 3.11Å; I405-L463 HydrophobicContact CD1-CB 4.01Å; I405-L463 HydrophobicContact CD1-CD1 3.82Å
406	S	94.8	Very high	95.2	Very high	47 Å²	47	51.4 Å²	51.4	33%	0.329	27%	0.27	S	S	.	.			trans	-63.7	150.5	-177.2	90.4	0	0	0	0	110.7	E408 E409 L410	S406-E408 PolarHBondContact O-N 3.14Å; S406-E408 PolarHBondContact OG-N 3.06Å; S406-E409 PolarHBondContact O-N 3.12Å; S406-E409 VanDerWaalsContact O-N 3.09Å; S406-E409 WeakPolarHBondContact OG-CG 3.47Å; S406-E409 PolarHBondContact OG-N 3.32Å; S406-L410 PolarHBondContact O-N 2.77Å
407	H	96.5	Very high	95.3	Very high	156 Å²	156	51.6 Å²	51.6	72%	0.722	27%	0.272	S	S	*	.	H	α-helix	trans	-56	-35.4	177.2	-176.5	69	0	0	0	112	S411	H407-S411 WeakPolarHBondContact O-CB 3.5Å; H407-S411 PolarHBondContact O-N 3.15Å
408	E	96.5	Very high	95.4	Very high	148 Å²	148	52.7 Å²	52.7	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-67.5	-41.5	177.9	-64	171.1	-179.1	0	0	112.3	S406 R412	S406-E408 PolarHBondContact O-N 3.14Å; S406-E408 PolarHBondContact OG-N 3.06Å; E408-R412 WeakPolarHBondContact O-CB 3.44Å; E408-R412 PolarHBondContact O-N 3.07Å; E408-R412 PolarHBondContact O-NH1 3.45Å
409	E	96.4	Very high	95.6	Very high	38 Å²	38	54.7 Å²	54.7	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-48.6	176.1	-68.1	-169.9	131.7	0	0	111.3	L328 R347 I405 S406 R412 A413	L328-E409 HydrophobicContact CD1-CB 3.97Å; R347-E409 IonicContact CZ-OE2 3.52Å; R347-E409 IonicContact NE-OE1 2.82Å; R347-E409 IonicContact NE-OE2 2.92Å; R347-E409 PolarHBondContact NE-OE2 3.18Å; R347-E409 IonicContact NH2-OE2 3.9Å; R347-E409 PolarHBondContact NH2-OE2 2.9Å; I405-E409 HydrophobicContact CG2-CB 4.19Å; S406-E409 PolarHBondContact O-N 3.12Å; S406-E409 VanDerWaalsContact O-N 3.09Å; S406-E409 WeakPolarHBondContact OG-CG 3.47Å; S406-E409 PolarHBondContact OG-N 3.32Å; E409-R412 PolarHBondContact O-N 3.15Å; E409-A413 PolarHBondContact O-N 3.03Å
410	L	97.9	Very high	95.7	Very high	14 Å²	14	55.2 Å²	55.2	7%	0.073	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-46.5	179.3	179.5	58.6	0	0	0	111.5	V324 I405 S406 R412 A413 K414 L463	V324-L410 HydrophobicContact CG1-CD1 3.92Å; I405-L410 HydrophobicContact CG2-CB 4.1Å; S406-L410 PolarHBondContact O-N 2.77Å; L410-R412 VanDerWaalsContact C-N 3.31Å; L410-R412 PolarHBondContact O-N 3.44Å; L410-A413 PolarHBondContact O-N 3.44Å; L410-K414 HydrophobicContact CD1-CG 4.41Å; L410-K414 HydrophobicContact CG-CD 4.45Å; L410-K414 WeakPolarHBondContact O-CG 3.43Å; L410-K414 PolarHBondContact O-N 3.09Å; L410-L463 HydrophobicContact CD1-CD1 3.73Å
411	S	97.9	Very high	95.8	Very high	37 Å²	37	57.2 Å²	57.2	26%	0.259	31%	0.306	S	S	.	.	H	α-helix	trans	-59.8	-42.1	177.1	-179	0	0	0	0	111.3	H407 K414 H415	H407-S411 WeakPolarHBondContact O-CB 3.5Å; H407-S411 PolarHBondContact O-N 3.15Å; S411-K414 PolarHBondContact O-N 3.16Å; S411-H415 WeakPolarHBondContact O-CB 3.36Å; S411-H415 PolarHBondContact O-N 3.39Å; S411-H415 PolarHBondContact O-ND1 2.89Å; S411-H415 PolarHBondContact OG-CE1 2.94Å; S411-H415 VanDerWaalsContact OG-CE1 3.27Å; S411-H415 PolarHBondContact OG-ND1 2.89Å
412	R	97.3	Very high	96	Very high	80 Å²	80	59.6 Å²	59.6	30%	0.302	32%	0.319	S	S	.	.	H	α-helix	trans	-62.6	-46.6	175.7	-179.1	171.4	62.4	-104.4	7	112	Y345 E408 E409 L410 K414 H415 Q416	Y345-R412 PolarHBondContact O-NE 3.5Å; Y345-R412 PolarHBondContact O-NH2 2.93Å; E408-R412 WeakPolarHBondContact O-CB 3.44Å; E408-R412 PolarHBondContact O-N 3.07Å; E408-R412 PolarHBondContact O-NH1 3.45Å; E409-R412 PolarHBondContact O-N 3.15Å; L410-R412 VanDerWaalsContact C-N 3.31Å; L410-R412 PolarHBondContact O-N 3.44Å; R412-K414 PolarHBondContact O-N 2.85Å; R412-H415 PolarHBondContact O-N 3.36Å; R412-Q416 WeakPolarHBondContact O-CB 3.5Å; R412-Q416 PolarHBondContact O-N 2.96Å
413	A	97.7	Very high	96.3	Very high	3 Å²	3	60.2 Å²	60.2	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-45.2	178.4	0	0	0	0	0	111.9	V324 L328 E409 L410 Q416 L417	V324-A413 HydrophobicContact CG1-CB 4.45Å; L328-A413 HydrophobicContact CB-CB 3.84Å; L328-A413 HydrophobicContact CD1-CB 4.08Å; E409-A413 PolarHBondContact O-N 3.03Å; L410-A413 PolarHBondContact O-N 3.44Å; A413-Q416 PolarHBondContact O-N 3.01Å; A413-L417 WeakPolarHBondContact O-CB 3.35Å; A413-L417 PolarHBondContact O-N 2.93Å
414	K	98.4	Very high	96.5	Very high	27 Å²	27	63 Å²	63	12%	0.117	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175.4	-72.6	179	174.1	-172.6	0	112.5	V324 L410 S411 R412 Q416 L417 K418 I455 D456 I458	V324-K414 HydrophobicContact CG1-CG 4.26Å; V324-K414 HydrophobicContact CG2-CG 4.45Å; L410-K414 HydrophobicContact CD1-CG 4.41Å; L410-K414 HydrophobicContact CG-CD 4.45Å; L410-K414 WeakPolarHBondContact O-CG 3.43Å; L410-K414 PolarHBondContact O-N 3.09Å; S411-K414 PolarHBondContact O-N 3.16Å; R412-K414 PolarHBondContact O-N 2.85Å; K414-Q416 VanDerWaalsContact C-N 3.33Å; K414-Q416 PolarHBondContact O-N 3.29Å; K414-L417 PolarHBondContact O-N 3.12Å; K414-K418 WeakPolarHBondContact O-CG 3.29Å; K414-K418 PolarHBondContact O-N 2.94Å; K414-I455 HydrophobicContact CB-CG2 3.83Å; K414-I455 WeakPolarHBondContact CD-O 3.41Å; K414-I455 WeakPolarHBondContact CE-O 3.37Å; K414-I455 HydrophobicContact CG-CG2 3.9Å; K414-D456 PolarHBondContact NZ-O 2.79Å; K414-I458 WeakPolarHBondContact CE-O 3.49Å; K414-I458 PolarHBondContact NZ-O 3.36Å
415	H	97	Very high	96.6	Very high	102 Å²	102	59.7 Å²	59.7	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-63.7	-39.5	179.3	-73.6	118.4	0	0	0	112	S411 R412 K418 S419	S411-H415 WeakPolarHBondContact O-CB 3.36Å; S411-H415 PolarHBondContact O-N 3.39Å; S411-H415 PolarHBondContact O-ND1 2.89Å; S411-H415 PolarHBondContact OG-CE1 2.94Å; S411-H415 VanDerWaalsContact OG-CE1 3.27Å; S411-H415 PolarHBondContact OG-ND1 2.89Å; R412-H415 PolarHBondContact O-N 3.36Å; H415-K418 PolarHBondContact O-N 2.94Å; H415-S419 VanDerWaalsContact O-CB 3.3Å; H415-S419 WeakPolarHBondContact O-CB 3.3Å; H415-S419 PolarHBondContact O-N 2.92Å
416	Q	96	Very high	96.5	Very high	64 Å²	64	66.6 Å²	66.6	30%	0.299	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.4	-173.7	174.2	0.8	0	0	111.3	R412 A413 K414 S419 M420	R412-Q416 WeakPolarHBondContact O-CB 3.5Å; R412-Q416 PolarHBondContact O-N 2.96Å; A413-Q416 PolarHBondContact O-N 3.01Å; K414-Q416 VanDerWaalsContact C-N 3.33Å; K414-Q416 PolarHBondContact O-N 3.29Å; Q416-S419 PolarHBondContact O-N 2.91Å; Q416-M420 WeakPolarHBondContact O-CB 3.31Å; Q416-M420 PolarHBondContact O-N 3.42Å
417	L	97.3	Very high	96.4	Very high	16 Å²	16	68 Å²	68	8%	0.084	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-46.8	177.1	-178	56.9	0	0	0	112.1	C323 V324 A413 K414 M420 L421 I455	C323-L417 HydrophobicContact CB-CD1 4.36Å; C323-L417 HydrophobicContact CB-CD2 3.75Å; V324-L417 HydrophobicContact CG2-CD2 3.69Å; A413-L417 WeakPolarHBondContact O-CB 3.35Å; A413-L417 PolarHBondContact O-N 2.93Å; K414-L417 PolarHBondContact O-N 3.12Å; L417-M420 HydrophobicContact CD1-CE 3.77Å; L417-M420 PolarHBondContact O-N 2.92Å; L417-L421 WeakPolarHBondContact O-CB 3.44Å; L417-L421 PolarHBondContact O-N 3.5Å; L417-I455 HydrophobicContact CD2-CD1 3.85Å; L417-I455 HydrophobicContact CD2-CG1 3.85Å; L417-I455 HydrophobicContact CD2-CG2 4.31Å; L417-I455 HydrophobicContact CG-CD1 3.81Å; L417-I455 HydrophobicContact CG-CG1 4.37Å
418	K	98	Very high	96.2	Very high	28 Å²	28	65 Å²	65	12%	0.122	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-46.2	176.5	-72	-171.6	-65.7	-175.7	0	111.8	K414 H415 M420 L421 L422 V452 I455 D456	K414-K418 WeakPolarHBondContact O-CG 3.29Å; K414-K418 PolarHBondContact O-N 2.94Å; H415-K418 PolarHBondContact O-N 2.94Å; K418-M420 PolarHBondContact O-N 3.02Å; K418-L421 PolarHBondContact O-N 3.37Å; K418-L422 WeakPolarHBondContact O-CG 3.34Å; K418-L422 PolarHBondContact O-N 2.64Å; K418-V452 HydrophobicContact CD-CB 4.32Å; K418-V452 HydrophobicContact CD-CG1 3.76Å; K418-V452 HydrophobicContact CD-CG2 4.28Å; K418-V452 HydrophobicContact CG-CG2 4.24Å; K418-I455 HydrophobicContact CD-CG2 4.33Å; K418-I455 HydrophobicContact CG-CB 4.16Å; K418-I455 HydrophobicContact CG-CD1 3.88Å; K418-I455 HydrophobicContact CG-CG2 3.85Å; K418-D456 WeakPolarHBondContact CE-OD1 3.3Å; K418-D456 IonicContact NZ-OD1 3.25Å; K418-D456 PolarHBondContact NZ-OD1 2.9Å; K418-D456 IonicContact NZ-OD2 3.96Å; K418-D456 PolarHBondContact NZ-OD2 3.23Å
419	S	96.6	Very high	96	Very high	62 Å²	62	60.4 Å²	60.4	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-47.1	177.8	-169.4	0	0	0	0	111.1	H415 Q416 L422 M423	H415-S419 VanDerWaalsContact O-CB 3.3Å; H415-S419 WeakPolarHBondContact O-CB 3.3Å; H415-S419 PolarHBondContact O-N 2.92Å; Q416-S419 PolarHBondContact O-N 2.91Å; S419-L422 PolarHBondContact O-N 2.93Å; S419-M423 VanDerWaalsContact O-CB 3.3Å; S419-M423 WeakPolarHBondContact O-CB 3.38Å; S419-M423 WeakPolarHBondContact O-CG 3.21Å; S419-M423 PolarHBondContact O-N 3.41Å; S419-M423 PolarHBondContact OG-SD 2.98Å; S419-M423 VanDerWaalsContact OG-SD 3.41Å
420	M	95.3	Very high	95.9	Very high	89 Å²	89	61.1 Å²	61.1	44%	0.438	32%	0.316	S	S	.	.	H	α-helix	trans	-61.3	-45.6	178.4	-176.5	-175.8	69.7	0	0	111.6	Q416 L417 K418 N424	Q416-M420 WeakPolarHBondContact O-CB 3.31Å; Q416-M420 PolarHBondContact O-N 3.42Å; L417-M420 HydrophobicContact CD1-CE 3.77Å; L417-M420 PolarHBondContact O-N 2.92Å; K418-M420 PolarHBondContact O-N 3.02Å; M420-N424 WeakPolarHBondContact O-CB 3.41Å; M420-N424 PolarHBondContact O-N 3.28Å; M420-N424 PolarHBondContact O-ND2 2.87Å
421	L	96.2	Very high	95.7	Very high	41 Å²	41	60.5 Å²	60.5	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-52.1	177	173.8	64.3	0	0	0	111.5	L417 K418 L425 W451 I455	L417-L421 WeakPolarHBondContact O-CB 3.44Å; L417-L421 PolarHBondContact O-N 3.5Å; K418-L421 PolarHBondContact O-N 3.37Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CG-CD1 4.35Å; L421-L425 WeakPolarHBondContact O-CG 3.44Å; L421-L425 PolarHBondContact O-N 3.38Å; L421-W451 HydrophobicContact CD2-CB 3.7Å; L421-I455 HydrophobicContact CD2-CD1 4.47Å
422	L	96.6	Very high	95.6	Very high	81 Å²	81	59.1 Å²	59.1	42%	0.424	30%	0.303	S	S	.	.	H	α-helix	trans	-69.3	-42.8	-174.8	-65.5	174.5	0	0	0	112.2	K418 S419 L425 P448 V452	K418-L422 WeakPolarHBondContact O-CG 3.34Å; K418-L422 PolarHBondContact O-N 2.64Å; S419-L422 PolarHBondContact O-N 2.93Å; L422-L425 PolarHBondContact O-N 3.36Å; L422-P448 HydrophobicContact CD2-CB 3.85Å; L422-V452 HydrophobicContact CD1-CG2 4.39Å; L422-V452 HydrophobicContact CD2-CG2 4.4Å
423	M	96.2	Very high	95.5	Very high	109 Å²	109	58.1 Å²	58.1	54%	0.537	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-40.2	178.1	-69.7	173.7	68.8	0	0	111.9	S419 L425 E426	S419-M423 VanDerWaalsContact O-CB 3.3Å; S419-M423 WeakPolarHBondContact O-CB 3.38Å; S419-M423 WeakPolarHBondContact O-CG 3.21Å; S419-M423 PolarHBondContact O-N 3.41Å; S419-M423 PolarHBondContact OG-SD 2.98Å; S419-M423 VanDerWaalsContact OG-SD 3.41Å; M423-L425 VanDerWaalsContact C-N 3.25Å; M423-L425 PolarHBondContact O-N 2.68Å; M423-E426 WeakPolarHBondContact O-CB 3.47Å; M423-E426 WeakPolarHBondContact O-CG 3.45Å; M423-E426 PolarHBondContact O-N 3.31Å; M423-E426 VanDerWaalsContact O-N 3.13Å
424	N	96.1	Very high	95.4	Very high	83 Å²	83	59.8 Å²	59.8	44%	0.444	31%	0.31	S	S	.	.	H	α-helix	trans	-62	-36.2	177.6	-77.9	-8.3	0	0	0	111.7	M420 E426 T427 V430	M420-N424 WeakPolarHBondContact O-CB 3.41Å; M420-N424 PolarHBondContact O-N 3.28Å; M420-N424 PolarHBondContact O-ND2 2.87Å; N424-E426 PolarHBondContact O-N 2.94Å; N424-T427 PolarHBondContact O-N 3.11Å; N424-V430 HydrophobicContact CB-CG1 4.19Å; N424-V430 WeakPolarHBondContact O-CB 3.35Å; N424-V430 WeakPolarHBondContact O-CG1 3.46Å
425	L	94.5	Very high	95.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.12	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.8	177.7	-67.4	173.1	0	0	0	114.5	K67 L421 L422 M423 T427 C431 D434 P448	K67-L425 PolarHBondContact NZ-O 3.08Å; K67-L425 VanDerWaalsContact NZ-O 3.14Å; L421-L425 HydrophobicContact CD1-CD1 4.05Å; L421-L425 HydrophobicContact CG-CD1 4.35Å; L421-L425 WeakPolarHBondContact O-CG 3.44Å; L421-L425 PolarHBondContact O-N 3.38Å; L422-L425 PolarHBondContact O-N 3.36Å; M423-L425 VanDerWaalsContact C-N 3.25Å; M423-L425 PolarHBondContact O-N 2.68Å; L425-T427 VanDerWaalsContact C-N 3.34Å; L425-C431 PolarHBondContact O-SG 3.06Å; L425-D434 HydrophobicContact CD2-CB 4.09Å; L425-P448 HydrophobicContact CD1-CB 3.73Å; L425-P448 HydrophobicContact CD1-CG 4.16Å
426	E	92.7	Very high	95.4	Very high	151 Å²	151	53.6 Å²	53.6	71%	0.706	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-23.6	166.9	-61.4	178.4	167.6	0	0	111.4	M423 N424	M423-E426 WeakPolarHBondContact O-CB 3.47Å; M423-E426 WeakPolarHBondContact O-CG 3.45Å; M423-E426 PolarHBondContact O-N 3.31Å; M423-E426 VanDerWaalsContact O-N 3.13Å; N424-E426 PolarHBondContact O-N 2.94Å
427	T	93.2	Very high	95.3	Very high	77 Å²	77	55.4 Å²	55.4	47%	0.472	29%	0.285	S	S	.	.	S	Bend	trans	-86.1	119.7	-179.8	-60.4	0	0	0	0	110.8	N424 L425 A429 V430 C431	N424-T427 PolarHBondContact O-N 3.11Å; L425-T427 VanDerWaalsContact C-N 3.34Å; T427-A429 VanDerWaalsContact C-N 3.31Å; T427-A429 HydrophobicContact CG2-CB 4.34Å; T427-A429 PolarHBondContact O-N 2.84Å; T427-V430 HydrophobicContact CG2-CG2 3.96Å; T427-V430 WeakPolarHBondContact O-CB 3.45Å; T427-V430 PolarHBondContact O-N 2.93Å; T427-C431 PolarHBondContact O-N 3.42Å; T427-C431 PolarHBondContact O-SG 3.22Å; T427-C431 VanDerWaalsContact O-SG 3.39Å
428	R	92.8	Very high	95.2	Very high	91 Å²	91	55.9 Å²	55.9	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-56	-39.8	-177.4	-75.5	-179.2	-161.5	72.1	7.5	114.1	L68 A73 V240 V430 C431 F432	L68-R428 PolarHBondContact O-NH2 3.43Å; A73-R428 HydrophobicContact CB-CB 4.44Å; V240-R428 HydrophobicContact CG1-CB 4.34Å; V240-R428 HydrophobicContact CG1-CG 4.08Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 PolarHBondContact O-N 3.46Å; R428-C431 PolarHBondContact O-N 3.11Å; R428-F432 PolarHBondContact O-N 2.94Å
429	A	91.8	Very high	95.2	Very high	52 Å²	52	54.5 Å²	54.5	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-62.3	-40.5	177.7	0	0	0	0	0	111.5	T427 F432 E433	T427-A429 VanDerWaalsContact C-N 3.31Å; T427-A429 HydrophobicContact CG2-CB 4.34Å; T427-A429 PolarHBondContact O-N 2.84Å; A429-F432 WeakPolarHBondContact O-CB 3.33Å; A429-F432 PolarHBondContact O-N 3.41Å; A429-E433 PolarHBondContact O-N 3.38Å
430	V	94.1	Very high	95.1	Very high	53 Å²	53	52.3 Å²	52.3	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-41.6	176	-179.3	0	0	0	0	111	N424 T427 R428 F432 E433 D434	N424-V430 HydrophobicContact CB-CG1 4.19Å; N424-V430 WeakPolarHBondContact O-CB 3.35Å; N424-V430 WeakPolarHBondContact O-CG1 3.46Å; T427-V430 HydrophobicContact CG2-CG2 3.96Å; T427-V430 WeakPolarHBondContact O-CB 3.45Å; T427-V430 PolarHBondContact O-N 2.93Å; R428-V430 VanDerWaalsContact C-N 3.31Å; R428-V430 PolarHBondContact O-N 3.46Å; V430-F432 VanDerWaalsContact C-N 3.3Å; V430-F432 PolarHBondContact O-N 3.25Å; V430-E433 PolarHBondContact O-N 3.19Å; V430-D434 WeakPolarHBondContact O-CB 3.34Å; V430-D434 PolarHBondContact O-N 3.2Å
431	C	94.9	Very high	94.8	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-42.9	173.3	-61.3	0	0	0	0	112.2	K67 V240 L425 T427 R428 D434 I435	K67-C431 PolarHBondContact NZ-SG 3.42Å; V240-C431 HydrophobicContact CG1-CB 4.13Å; V240-C431 HydrophobicContact CG2-CB 3.88Å; L425-C431 PolarHBondContact O-SG 3.06Å; T427-C431 PolarHBondContact O-N 3.42Å; T427-C431 PolarHBondContact O-SG 3.22Å; T427-C431 VanDerWaalsContact O-SG 3.39Å; R428-C431 PolarHBondContact O-N 3.11Å; C431-D434 PolarHBondContact O-N 3.14Å; C431-I435 WeakPolarHBondContact O-CD1 3.45Å; C431-I435 WeakPolarHBondContact O-CG1 3.31Å; C431-I435 PolarHBondContact O-N 3.04Å
432	F	95.5	Very high	94.5	Very high	8 Å²	8	51 Å²	51	4%	0.035	27%	0.266	C	S	.	.	H	α-helix	trans	-59.4	-51.1	177.5	152.1	-99.1	0	0	0	110.2	A73 V134 A136 A238 V240 R428 A429 V430 D434 I435 A436	A73-F432 HydrophobicContact CB-CB 4.1Å; V134-F432 HydrophobicContact CG1-CE1 3.81Å; V134-F432 HydrophobicContact CG1-CZ 4.03Å; A136-F432 HydrophobicContact CB-CE1 3.9Å; A136-F432 HydrophobicContact CB-CZ 4.37Å; A238-F432 HydrophobicContact CB-CD2 3.73Å; A238-F432 HydrophobicContact CB-CE2 3.71Å; A238-F432 WeakPolarHBondContact O-CD2 3.16Å; A238-F432 WeakPolarHBondContact O-CE2 3.1Å; V240-F432 HydrophobicContact CG2-CB 4.01Å; R428-F432 PolarHBondContact O-N 2.94Å; A429-F432 WeakPolarHBondContact O-CB 3.33Å; A429-F432 PolarHBondContact O-N 3.41Å; V430-F432 VanDerWaalsContact C-N 3.3Å; V430-F432 PolarHBondContact O-N 3.25Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 2.9Å; F432-I435 PolarHBondContact O-N 3.02Å; F432-A436 HydrophobicContact CE2-CB 4.15Å; F432-A436 HydrophobicContact CZ-CB 4.29Å; F432-A436 VanDerWaalsContact O-CB 3.24Å; F432-A436 WeakPolarHBondContact O-CB 3.4Å; F432-A436 PolarHBondContact O-N 2.81Å
433	E	95.4	Very high	94.3	Very high	58 Å²	58	50.8 Å²	50.8	27%	0.271	27%	0.265	S	S	.	.	H	α-helix	trans	-63.1	-41.3	-178.5	-164.5	-163	138.7	0	0	111.4	A429 V430 A436 R437	A429-E433 PolarHBondContact O-N 3.38Å; V430-E433 PolarHBondContact O-N 3.19Å; E433-A436 PolarHBondContact O-N 3.17Å; E433-R437 HydrophobicContact CG-CG 4.23Å; E433-R437 WeakPolarHBondContact O-CB 3.42Å; E433-R437 VanDerWaalsContact O-CG 3.31Å; E433-R437 WeakPolarHBondContact O-CG 3.46Å; E433-R437 PolarHBondContact O-N 3.19Å; E433-R437 VanDerWaalsContact OE1-CD 3.22Å; E433-R437 WeakPolarHBondContact OE1-CD 3.48Å; E433-R437 IonicContact OE1-CZ 3.63Å; E433-R437 IonicContact OE1-NE 2.68Å; E433-R437 IonicContact OE1-NH1 3.33Å; E433-R437 PolarHBondContact OE1-NH1 3.19Å
434	D	95.9	Very high	94.2	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.203	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-47.2	176.6	178.4	56.5	0	0	0	112.1	L425 V430 C431 F432 Q438 K445	L425-D434 HydrophobicContact CD2-CB 4.09Å; V430-D434 WeakPolarHBondContact O-CB 3.34Å; V430-D434 PolarHBondContact O-N 3.2Å; C431-D434 PolarHBondContact O-N 3.14Å; F432-D434 VanDerWaalsContact C-N 3.33Å; F432-D434 PolarHBondContact O-N 2.9Å; D434-Q438 VanDerWaalsContact CG-NE2 3.29Å; D434-Q438 WeakPolarHBondContact O-CB 3.38Å; D434-Q438 VanDerWaalsContact O-CG 3.3Å; D434-Q438 WeakPolarHBondContact O-CG 3.28Å; D434-Q438 PolarHBondContact O-N 3.43Å; D434-Q438 VanDerWaalsContact O-N 3.1Å; D434-Q438 PolarHBondContact OD1-NE2 3.46Å; D434-Q438 PolarHBondContact OD2-NE2 2.84Å; D434-K445 IonicContact OD2-NZ 3.29Å; D434-K445 PolarHBondContact OD2-NZ 3.46Å
435	I	96.8	Very high	94.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.6	-52.4	172.5	-67	160.2	0	0	0	110.4	T51 A63 Q65 A238 V240 C431 F432 R437 Q438 V439 K445	T51-I435 HydrophobicContact CG2-CD1 4.47Å; T51-I435 HydrophobicContact CG2-CG1 4.17Å; T51-I435 HydrophobicContact CG2-CG2 3.85Å; A63-I435 HydrophobicContact CB-CG2 3.49Å; A63-I435 VanDerWaalsContact CB-CG2 3.49Å; Q65-I435 HydrophobicContact CB-CD1 3.86Å; A238-I435 HydrophobicContact CB-CB 4.44Å; A238-I435 HydrophobicContact CB-CG2 3.93Å; V240-I435 HydrophobicContact CG2-CD1 3.47Å; V240-I435 VanDerWaalsContact CG2-CD1 3.47Å; C431-I435 WeakPolarHBondContact O-CD1 3.45Å; C431-I435 WeakPolarHBondContact O-CG1 3.31Å; C431-I435 PolarHBondContact O-N 3.04Å; F432-I435 PolarHBondContact O-N 3.02Å; I435-R437 PolarHBondContact O-N 3.26Å; I435-Q438 PolarHBondContact O-N 3.31Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CB 3.17Å; I435-V439 VanDerWaalsContact O-CG2 3.23Å; I435-V439 WeakPolarHBondContact O-CG2 3.3Å; I435-V439 PolarHBondContact O-N 3.44Å; I435-K445 HydrophobicContact CB-CD 4.07Å; I435-K445 HydrophobicContact CG1-CD 3.45Å; I435-K445 VanDerWaalsContact CG1-CD 3.45Å
436	A	97	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.7	-48.4	-174.4	0	0	0	0	0	111.1	I77 A238 F432 E433 L440	I77-A436 HydrophobicContact CB-CB 4.02Å; I77-A436 HydrophobicContact CD1-CB 4.27Å; I77-A436 HydrophobicContact CG2-CB 3.63Å; A238-A436 HydrophobicContact CB-CB 3.84Å; F432-A436 HydrophobicContact CE2-CB 4.15Å; F432-A436 HydrophobicContact CZ-CB 4.29Å; F432-A436 VanDerWaalsContact O-CB 3.24Å; F432-A436 WeakPolarHBondContact O-CB 3.4Å; F432-A436 PolarHBondContact O-N 2.81Å; E433-A436 PolarHBondContact O-N 3.17Å; A436-L440 WeakPolarHBondContact O-CB 3.34Å; A436-L440 PolarHBondContact O-N 3.09Å
437	R	95	Very high	94.2	Very high	101 Å²	101	45.4 Å²	45.4	38%	0.381	23%	0.232	S	C	.	.	H	α-helix	trans	-69.6	-42.5	-177	-72.3	176.6	63.9	-173.6	-2.9	113.2	I77 F132 E433 I435 L440 T441	I77-R437 HydrophobicContact CD1-CB 4.41Å; I77-R437 HydrophobicContact CD1-CG 3.49Å; I77-R437 VanDerWaalsContact CD1-CG 3.49Å; F132-R437 HydrophobicContact CE1-CG 4.37Å; F132-R437 HydrophobicContact CZ-CG 4.33Å; E433-R437 HydrophobicContact CG-CG 4.23Å; E433-R437 WeakPolarHBondContact O-CB 3.42Å; E433-R437 VanDerWaalsContact O-CG 3.31Å; E433-R437 WeakPolarHBondContact O-CG 3.46Å; E433-R437 PolarHBondContact O-N 3.19Å; E433-R437 VanDerWaalsContact OE1-CD 3.22Å; E433-R437 WeakPolarHBondContact OE1-CD 3.48Å; E433-R437 IonicContact OE1-CZ 3.63Å; E433-R437 IonicContact OE1-NE 2.68Å; E433-R437 IonicContact OE1-NH1 3.33Å; E433-R437 PolarHBondContact OE1-NH1 3.19Å; I435-R437 PolarHBondContact O-N 3.26Å; R437-L440 PolarHBondContact O-N 3.45Å; R437-T441 PolarHBondContact O-N 3.41Å; R437-T441 PolarHBondContact O-OG1 2.96Å
438	Q	95.5	Very high	94.3	Very high	26 Å²	26	42.8 Å²	42.8	12%	0.121	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-45.2	178.4	-71.4	-168.2	52	0	0	111.2	D434 I435 T441 S442 M444 K445 R446	D434-Q438 VanDerWaalsContact CG-NE2 3.29Å; D434-Q438 WeakPolarHBondContact O-CB 3.38Å; D434-Q438 VanDerWaalsContact O-CG 3.3Å; D434-Q438 WeakPolarHBondContact O-CG 3.28Å; D434-Q438 PolarHBondContact O-N 3.43Å; D434-Q438 VanDerWaalsContact O-N 3.1Å; D434-Q438 PolarHBondContact OD1-NE2 3.46Å; D434-Q438 PolarHBondContact OD2-NE2 2.84Å; I435-Q438 PolarHBondContact O-N 3.31Å; Q438-T441 PolarHBondContact O-N 2.81Å; Q438-S442 PolarHBondContact O-N 2.8Å; Q438-S442 PolarHBondContact O-OG 3.21Å; Q438-M444 CarbonylContact C-O 3.6Å; Q438-K445 HydrophobicContact CB-CB 4.44Å; Q438-R446 PolarHBondContact OE1-O 3.43Å
439	V	96.6	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-39.7	179	177.7	0	0	0	0	111.1	I53 R61 A63 V236 I435 T441 D443 M444 K445	I53-V439 HydrophobicContact CD1-CG2 3.65Å; I53-V439 HydrophobicContact CG1-CG2 4.18Å; I53-V439 HydrophobicContact CG2-CG1 4.26Å; R61-V439 HydrophobicContact CB-CG1 4.31Å; R61-V439 PolarHBondContact NH1-O 2.85Å; A63-V439 HydrophobicContact CB-CG1 4.45Å; A63-V439 HydrophobicContact CB-CG2 3.98Å; V236-V439 HydrophobicContact CG1-CB 4.13Å; V236-V439 HydrophobicContact CG1-CG1 3.82Å; V236-V439 HydrophobicContact CG2-CB 4.42Å; V236-V439 HydrophobicContact CG2-CG1 3.95Å; I435-V439 HydrophobicContact CG2-CG2 4.34Å; I435-V439 WeakPolarHBondContact O-CB 3.17Å; I435-V439 VanDerWaalsContact O-CG2 3.23Å; I435-V439 WeakPolarHBondContact O-CG2 3.3Å; I435-V439 PolarHBondContact O-N 3.44Å; V439-T441 PolarHBondContact O-N 3.37Å; V439-D443 WeakPolarHBondContact O-CA 3.42Å; V439-D443 PolarHBondContact O-N 3.46Å; V439-M444 PolarHBondContact N-O 2.96Å; V439-K445 HydrophobicContact CG2-CB 4.36Å
440	L	94.9	Very high	94.6	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.079	22%	0.221	C	C	.	.	H	α-helix	trans	-54.7	-41.3	178.9	-177.1	68.6	0	0	0	111.2	R61 I77 K79 F132 N234 V236 A436 R437	R61-L440 PolarHBondContact NH1-O 3.27Å; I77-L440 HydrophobicContact CD1-CD2 3.96Å; I77-L440 HydrophobicContact CG1-CD2 3.94Å; I77-L440 HydrophobicContact CG2-CB 4.16Å; I77-L440 HydrophobicContact CG2-CD1 4.33Å; I77-L440 HydrophobicContact CG2-CD2 4.32Å; K79-L440 HydrophobicContact CB-CD1 4.2Å; K79-L440 HydrophobicContact CB-CD2 4.35Å; F132-L440 HydrophobicContact CB-CD2 4.13Å; N234-L440 WeakPolarHBondContact O-CD1 3.39Å; V236-L440 HydrophobicContact CG2-CB 4.04Å; V236-L440 HydrophobicContact CG2-CD1 3.97Å; A436-L440 WeakPolarHBondContact O-CB 3.34Å; A436-L440 PolarHBondContact O-N 3.09Å; R437-L440 PolarHBondContact O-N 3.45Å
441	T	89.3	Confident	94.7	Very high	55 Å²	55	45.4 Å²	45.4	34%	0.337	22%	0.215	S	C	.	.	H	α-helix	trans	-94.1	-42.3	-174.6	-42.9	0	0	0	0	114.8	Y314 A370 R437 Q438 V439	Y314-T441 HydrophobicContact CE2-CG2 3.38Å; Y314-T441 WeakPolarHBondContact OH-CB 3.19Å; Y314-T441 WeakPolarHBondContact OH-CG2 3.12Å; Y314-T441 PolarHBondContact OH-OG1 3.41Å; A370-T441 HydrophobicContact CB-CG2 4.31Å; R437-T441 PolarHBondContact O-N 3.41Å; R437-T441 PolarHBondContact O-OG1 2.96Å; Q438-T441 PolarHBondContact O-N 2.81Å; V439-T441 PolarHBondContact O-N 3.37Å
442	S	90.2	Very high	94.8	Very high	49 Å²	49	46.7 Å²	46.7	34%	0.343	22%	0.222	S	C	.	.	H	α-helix	trans	-110.1	1.6	-169.5	68.5	0	0	0	0	114.1	Q438 M444	Q438-S442 PolarHBondContact O-N 2.8Å; Q438-S442 PolarHBondContact O-OG 3.21Å; S442-M444 WeakPolarHBondContact O-CG 2.96Å; S442-M444 PolarHBondContact O-N 3.4Å; S442-M444 WeakPolarHBondContact OG-CG 3.38Å; S442-M444 PolarHBondContact OG-O 3.35Å
443	D	91.3	Very high	94.9	Very high	76 Å²	76	50.6 Å²	50.6	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	57.6	10.2	-173.4	-72.3	-39.4	0	0	0	114.6	R55 R61 V439	R55-D443 IonicContact CZ-OD1 2.64Å; R55-D443 IonicContact NH2-OD1 3.77Å; R55-D443 PolarHBondContact NH2-OD1 2.91Å; R55-D443 IonicContact NH2-OD2 3.6Å; R55-D443 PolarHBondContact NH2-OD2 2.94Å; R61-D443 WeakPolarHBondContact CD-OD1 3.36Å; R61-D443 IonicContact CZ-OD1 3.69Å; R61-D443 IonicContact NE-OD1 3.84Å; R61-D443 IonicContact NH1-OD1 2.69Å; R61-D443 PolarHBondContact NH1-OD1 3.45Å; V439-D443 WeakPolarHBondContact O-CA 3.42Å; V439-D443 PolarHBondContact O-N 3.46Å
444	M	94.1	Very high	95.1	Very high	96 Å²	96	50.1 Å²	50.1	47%	0.473	24%	0.241	S	C	.	.	S	Bend	trans	-143.5	162.6	179.9	65	-178.6	61.8	0	0	110.5	Q438 V439 S442	Q438-M444 CarbonylContact C-O 3.6Å; V439-M444 PolarHBondContact N-O 2.96Å; S442-M444 WeakPolarHBondContact O-CG 2.96Å; S442-M444 PolarHBondContact O-N 3.4Å; S442-M444 WeakPolarHBondContact OG-CG 3.38Å; S442-M444 PolarHBondContact OG-O 3.35Å
445	K	94.7	Very high	95.2	Very high	26 Å²	26	48.6 Å²	48.6	11%	0.113	23%	0.233	C	C	.	.			trans	-116.2	128.9	166.1	169.2	152.5	158.5	61.5	0	109.2	T51 D434 I435 Q438 V439 E447	T51-K445 HydrophobicContact CG2-CB 4.28Å; T51-K445 HydrophobicContact CG2-CD 4.21Å; T51-K445 VanDerWaalsContact OG1-CD 3.27Å; T51-K445 WeakPolarHBondContact OG1-CD 3.43Å; T51-K445 VanDerWaalsContact OG1-CE 3.29Å; T51-K445 WeakPolarHBondContact OG1-CE 3.47Å; D434-K445 IonicContact OD2-NZ 3.29Å; D434-K445 PolarHBondContact OD2-NZ 3.46Å; I435-K445 HydrophobicContact CB-CD 4.07Å; I435-K445 HydrophobicContact CG1-CD 3.45Å; I435-K445 VanDerWaalsContact CG1-CD 3.45Å; Q438-K445 HydrophobicContact CB-CB 4.44Å; V439-K445 HydrophobicContact CG2-CB 4.36Å; K445-E447 IonicContact NZ-OE2 3.82Å
446	R	94.8	Very high	95.3	Very high	98 Å²	98	52.1 Å²	52.1	37%	0.37	25%	0.252	S	S	.	.			trans	-86.3	128	167	-57.5	-166	-171.6	-142.9	2.5	108.5	Q438 Y450 W451	Q438-R446 PolarHBondContact OE1-O 3.43Å; R446-Y450 HydrophobicContact CB-CD1 3.84Å; R446-Y450 HydrophobicContact CB-CG 4.29Å; R446-Y450 VanDerWaalsContact CD-CD1 3.42Å; R446-Y450 HydrophobicContact CG-CD1 4.2Å; R446-Y450 VanDerWaalsContact NH1-CE1 3.29Å; R446-Y450 PolarHBondContact NH1-OH 3.18Å; R446-W451 HydrophobicContact CB-CZ2 3.88Å; R446-W451 HydrophobicContact CG-CZ2 4.15Å; R446-W451 PolarHBondContact O-NE1 3.07Å
447	E	94	Very high	95.3	Very high	33 Å²	33	58.2 Å²	58.2	15%	0.154	28%	0.279	C	S	.	.			trans	-72.3	153.8	179.5	-63.6	-54.2	159.7	0	0	111.2	T51 K445 E449 Y450	T51-E447 WeakPolarHBondContact CB-OE1 3.41Å; T51-E447 PolarHBondContact N-OE1 3.38Å; T51-E447 PolarHBondContact OG1-OE1 3.33Å; K445-E447 IonicContact NZ-OE2 3.82Å; E447-E449 PolarHBondContact O-N 2.87Å; E447-E449 VanDerWaalsContact O-N 3.16Å; E447-Y450 VanDerWaalsContact O-CB 3.31Å; E447-Y450 WeakPolarHBondContact O-CB 3.45Å; E447-Y450 PolarHBondContact O-N 2.84Å
448	P	94.8	Very high	95.5	Very high	21 Å²	21	54.1 Å²	54.1	14%	0.136	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-33.1	-173.2	18.9	-31	0	0	0	113.8	L422 L425 Y450 W451 V452	L422-P448 HydrophobicContact CD2-CB 3.85Å; L425-P448 HydrophobicContact CD1-CB 3.73Å; L425-P448 HydrophobicContact CD1-CG 4.16Å; P448-Y450 VanDerWaalsContact C-N 3.26Å; P448-Y450 PolarHBondContact O-N 3.44Å; P448-W451 PolarHBondContact O-N 2.98Å; P448-W451 VanDerWaalsContact O-N 3.11Å; P448-V452 WeakPolarHBondContact O-CG2 3.44Å; P448-V452 PolarHBondContact O-N 2.83Å
449	E	95.1	Very high	95.6	Very high	122 Å²	122	55.9 Å²	55.9	57%	0.57	28%	0.277	S	S	*	.	H	α-helix	trans	-60.1	-37.6	177.3	-63.5	74.7	-164	0	0	111.6	E447 W451 V452 D453	E447-E449 PolarHBondContact O-N 2.87Å; E447-E449 VanDerWaalsContact O-N 3.16Å; E449-W451 VanDerWaalsContact C-N 3.32Å; E449-W451 PolarHBondContact O-N 3.07Å; E449-V452 PolarHBondContact O-N 3.36Å; E449-D453 PolarHBondContact O-N 3.43Å
450	Y	95.8	Very high	95.6	Very high	82 Å²	82	59 Å²	59	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-59.7	-46	175.2	170.5	-91.3	0	0	0	111	R446 E447 P448 D453 Q454	R446-Y450 HydrophobicContact CB-CD1 3.84Å; R446-Y450 HydrophobicContact CB-CG 4.29Å; R446-Y450 VanDerWaalsContact CD-CD1 3.42Å; R446-Y450 HydrophobicContact CG-CD1 4.2Å; R446-Y450 VanDerWaalsContact NH1-CE1 3.29Å; R446-Y450 PolarHBondContact NH1-OH 3.18Å; E447-Y450 VanDerWaalsContact O-CB 3.31Å; E447-Y450 WeakPolarHBondContact O-CB 3.45Å; E447-Y450 PolarHBondContact O-N 2.84Å; P448-Y450 VanDerWaalsContact C-N 3.26Å; P448-Y450 PolarHBondContact O-N 3.44Å; Y450-D453 PolarHBondContact O-N 3.16Å; Y450-Q454 HydrophobicContact CD1-CG 4.2Å; Y450-Q454 HydrophobicContact CE1-CG 3.51Å; Y450-Q454 HydrophobicContact CE2-CG 4.09Å; Y450-Q454 WeakPolarHBondContact O-CG 3.39Å; Y450-Q454 PolarHBondContact O-N 3Å; Y450-Q454 VanDerWaalsContact OH-CD 3.3Å; Y450-Q454 WeakPolarHBondContact OH-CG 3.27Å; Y450-Q454 PolarHBondContact OH-NE2 2.85Å
451	W	96.5	Very high	95.7	Very high	47 Å²	47	62 Å²	62	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-69.3	-38.1	-178.7	-64	114.5	0	0	0	111.9	F319 V320 L421 R446 P448 E449 D453 Q454 I455	F319-W451 HydrophobicContact CD1-CH2 4.48Å; F319-W451 HydrophobicContact CD1-CZ3 4.17Å; F319-W451 HydrophobicContact CE1-CH2 4.41Å; F319-W451 HydrophobicContact CE1-CZ3 4.26Å; V320-W451 HydrophobicContact CG2-CE3 4.13Å; V320-W451 HydrophobicContact CG2-CZ3 4.06Å; L421-W451 HydrophobicContact CD2-CB 3.7Å; R446-W451 HydrophobicContact CB-CZ2 3.88Å; R446-W451 HydrophobicContact CG-CZ2 4.15Å; R446-W451 PolarHBondContact O-NE1 3.07Å; P448-W451 PolarHBondContact O-N 2.98Å; P448-W451 VanDerWaalsContact O-N 3.11Å; E449-W451 VanDerWaalsContact C-N 3.32Å; E449-W451 PolarHBondContact O-N 3.07Å; W451-D453 VanDerWaalsContact C-N 3.32Å; W451-D453 PolarHBondContact O-N 2.94Å; W451-Q454 PolarHBondContact O-N 3.25Å; W451-I455 WeakPolarHBondContact O-CD1 3.47Å; W451-I455 WeakPolarHBondContact O-CG1 3.28Å; W451-I455 PolarHBondContact O-N 2.94Å
452	V	98.1	Very high	96	Very high	29 Å²	29	61.7 Å²	61.7	18%	0.176	31%	0.31	C	S	.	.	H	α-helix	trans	-55.3	-48.4	171.9	163.2	0	0	0	0	110.8	K418 L422 P448 E449 Q454 I455 D456	K418-V452 HydrophobicContact CD-CB 4.32Å; K418-V452 HydrophobicContact CD-CG1 3.76Å; K418-V452 HydrophobicContact CD-CG2 4.28Å; K418-V452 HydrophobicContact CG-CG2 4.24Å; L422-V452 HydrophobicContact CD1-CG2 4.39Å; L422-V452 HydrophobicContact CD2-CG2 4.4Å; P448-V452 WeakPolarHBondContact O-CG2 3.44Å; P448-V452 PolarHBondContact O-N 2.83Å; E449-V452 PolarHBondContact O-N 3.36Å; V452-Q454 VanDerWaalsContact C-N 3.34Å; V452-Q454 PolarHBondContact O-N 3.48Å; V452-I455 PolarHBondContact O-N 3.5Å; V452-D456 PolarHBondContact O-N 3.23Å
453	D	98.1	Very high	96.4	Very high	91 Å²	91	59.3 Å²	59.3	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-37.3	177.5	-81.1	2.9	0	0	0	112.8	E449 Y450 W451 K457	E449-D453 PolarHBondContact O-N 3.43Å; Y450-D453 PolarHBondContact O-N 3.16Å; W451-D453 VanDerWaalsContact C-N 3.32Å; W451-D453 PolarHBondContact O-N 2.94Å; D453-K457 WeakPolarHBondContact O-CD 3.32Å; D453-K457 VanDerWaalsContact O-CG 3.32Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 3.19Å
454	Q	98	Very high	96.6	Very high	47 Å²	47	57.8 Å²	57.8	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-68.4	-40.7	175.5	-64	-50.1	-59.5	0	0	111.9	V320 Y450 W451 V452 D456 K457	V320-Q454 HydrophobicContact CB-CB 4.46Å; V320-Q454 HydrophobicContact CG1-CB 4.15Å; V320-Q454 HydrophobicContact CG2-CB 3.91Å; Y450-Q454 HydrophobicContact CD1-CG 4.2Å; Y450-Q454 HydrophobicContact CE1-CG 3.51Å; Y450-Q454 HydrophobicContact CE2-CG 4.09Å; Y450-Q454 WeakPolarHBondContact O-CG 3.39Å; Y450-Q454 PolarHBondContact O-N 3Å; Y450-Q454 VanDerWaalsContact OH-CD 3.3Å; Y450-Q454 WeakPolarHBondContact OH-CG 3.27Å; Y450-Q454 PolarHBondContact OH-NE2 2.85Å; W451-Q454 PolarHBondContact O-N 3.25Å; V452-Q454 VanDerWaalsContact C-N 3.34Å; V452-Q454 PolarHBondContact O-N 3.48Å; Q454-D456 VanDerWaalsContact C-N 3.28Å; Q454-D456 PolarHBondContact O-N 2.83Å; Q454-K457 PolarHBondContact O-N 3.45Å
455	I	98.5	Very high	96.6	Very high	7 Å²	7	58.7 Å²	58.7	4%	0.036	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-41.1	177.9	-68	160.8	0	0	0	110.1	V320 V324 K414 L417 K418 L421 W451 V452 K457 I458	V320-I455 HydrophobicContact CG1-CB 4.36Å; V320-I455 HydrophobicContact CG1-CG1 3.71Å; V324-I455 HydrophobicContact CG2-CG2 4.08Å; K414-I455 HydrophobicContact CB-CG2 3.83Å; K414-I455 WeakPolarHBondContact CD-O 3.41Å; K414-I455 WeakPolarHBondContact CE-O 3.37Å; K414-I455 HydrophobicContact CG-CG2 3.9Å; L417-I455 HydrophobicContact CD2-CD1 3.85Å; L417-I455 HydrophobicContact CD2-CG1 3.85Å; L417-I455 HydrophobicContact CD2-CG2 4.31Å; L417-I455 HydrophobicContact CG-CD1 3.81Å; L417-I455 HydrophobicContact CG-CG1 4.37Å; K418-I455 HydrophobicContact CD-CG2 4.33Å; K418-I455 HydrophobicContact CG-CB 4.16Å; K418-I455 HydrophobicContact CG-CD1 3.88Å; K418-I455 HydrophobicContact CG-CG2 3.85Å; L421-I455 HydrophobicContact CD2-CD1 4.47Å; W451-I455 WeakPolarHBondContact O-CD1 3.47Å; W451-I455 WeakPolarHBondContact O-CG1 3.28Å; W451-I455 PolarHBondContact O-N 2.94Å; V452-I455 PolarHBondContact O-N 3.5Å; I455-K457 VanDerWaalsContact C-N 3.25Å; I455-K457 PolarHBondContact O-N 3.06Å; I455-I458 PolarHBondContact O-N 3.41Å
456	D	98.2	Very high	96.7	Very high	73 Å²	73	57.5 Å²	57.5	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-27.1	-179.8	-79.3	-28.5	0	0	0	113.4	K414 K418 V452 Q454	K414-D456 PolarHBondContact NZ-O 2.79Å; K418-D456 WeakPolarHBondContact CE-OD1 3.3Å; K418-D456 IonicContact NZ-OD1 3.25Å; K418-D456 PolarHBondContact NZ-OD1 2.9Å; K418-D456 IonicContact NZ-OD2 3.96Å; K418-D456 PolarHBondContact NZ-OD2 3.23Å; V452-D456 PolarHBondContact O-N 3.23Å; Q454-D456 VanDerWaalsContact C-N 3.28Å; Q454-D456 PolarHBondContact O-N 2.83Å
457	K	98	Very high	96.7	Very high	129 Å²	129	52.9 Å²	52.9	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-74.4	-21.1	177.4	-70.8	166.3	-169.9	168.4	0	114.4	D453 Q454 I455 T459	D453-K457 WeakPolarHBondContact O-CD 3.32Å; D453-K457 VanDerWaalsContact O-CG 3.32Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 3.19Å; Q454-K457 PolarHBondContact O-N 3.45Å; I455-K457 VanDerWaalsContact C-N 3.25Å; I455-K457 PolarHBondContact O-N 3.06Å; K457-T459 PolarHBondContact O-N 3.02Å
458	I	98.4	Very high	96.7	Very high	14 Å²	14	55.6 Å²	55.6	7%	0.072	28%	0.277	C	S	.	.			trans	-61.2	131.3	-174.5	-61	-50.6	0	0	0	111.8	V320 S321 V324 K414 I455 D462 L463	V320-I458 HydrophobicContact CB-CD1 4.15Å; V320-I458 HydrophobicContact CB-CG1 4.47Å; V320-I458 HydrophobicContact CG1-CD1 4.05Å; V320-I458 HydrophobicContact CG1-CG1 3.85Å; S321-I458 WeakPolarHBondContact OG-CD1 3.15Å; V324-I458 HydrophobicContact CB-CG2 4.26Å; V324-I458 HydrophobicContact CG1-CG2 4.17Å; V324-I458 HydrophobicContact CG2-CB 4.31Å; V324-I458 HydrophobicContact CG2-CG1 4Å; V324-I458 HydrophobicContact CG2-CG2 4.34Å; K414-I458 WeakPolarHBondContact CE-O 3.49Å; K414-I458 PolarHBondContact NZ-O 3.36Å; I455-I458 PolarHBondContact O-N 3.41Å; I458-D462 HydrophobicContact CG2-CB 4.35Å; I458-L463 HydrophobicContact CG2-CD2 3.82Å; I458-L463 HydrophobicContact CG2-CG 4.19Å
459	T	97.5	Very high	96.6	Very high	64 Å²	64	57.2 Å²	57.2	39%	0.393	28%	0.28	S	S	.	.			trans	-107.4	167.5	178	69.1	0	0	0	0	111.1	K457 S461 D462 L463	K457-T459 PolarHBondContact O-N 3.02Å; T459-S461 PolarHBondContact O-N 3.43Å; T459-S461 PolarHBondContact OG1-N 3.37Å; T459-D462 WeakPolarHBondContact CA-OD2 3.27Å; T459-D462 WeakPolarHBondContact CB-OD2 3.35Å; T459-D462 PolarHBondContact N-OD2 2.82Å; T459-D462 PolarHBondContact O-N 2.85Å; T459-D462 VanDerWaalsContact OG1-CG 3.25Å; T459-D462 PolarHBondContact OG1-N 3.21Å; T459-D462 PolarHBondContact OG1-OD2 3.31Å; T459-L463 PolarHBondContact O-N 3.14Å
460	E	97.2	Very high	96.6	Very high	65 Å²	65	51.4 Å²	51.4	30%	0.304	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-39.7	169.6	172.9	-179.9	-167.7	0	0	111.6	S404 I405 D462 L463 H464	S404-E460 WeakPolarHBondContact CA-OE1 3.4Å; I405-E460 HydrophobicContact CB-CG 4.02Å; I405-E460 HydrophobicContact CD1-CG 4.31Å; I405-E460 HydrophobicContact CG1-CG 4.31Å; I405-E460 PolarHBondContact N-OE1 3.11Å; E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.07Å; E460-L463 PolarHBondContact O-N 3.19Å; E460-L463 VanDerWaalsContact O-N 3.16Å; E460-H464 PolarHBondContact O-N 3.46Å; E460-H464 IonicContact OE1-CE1 3.78Å; E460-H464 PolarHBondContact OE1-CE1 2.92Å; E460-H464 VanDerWaalsContact OE1-CE1 3.25Å; E460-H464 IonicContact OE1-NE2 3.16Å
461	S	96.6	Very high	96.4	Very high	78 Å²	78	47.8 Å²	47.8	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-40.6	179.1	-170.6	0	0	0	0	112	T459 L463 H464 E465	T459-S461 PolarHBondContact O-N 3.43Å; T459-S461 PolarHBondContact OG1-N 3.37Å; S461-L463 VanDerWaalsContact C-N 3.28Å; S461-L463 PolarHBondContact O-N 3.35Å; S461-H464 PolarHBondContact O-N 3.38Å; S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 PolarHBondContact O-N 3.33Å
462	D	97.1	Very high	96	Very high	48 Å²	48	48.8 Å²	48.8	26%	0.257	25%	0.246	S	C	.	.	H	α-helix	trans	-64	-35.7	179.4	-57.7	-53	0	0	0	111.7	I458 T459 E460 L466	I458-D462 HydrophobicContact CG2-CB 4.35Å; T459-D462 WeakPolarHBondContact CA-OD2 3.27Å; T459-D462 WeakPolarHBondContact CB-OD2 3.35Å; T459-D462 PolarHBondContact N-OD2 2.82Å; T459-D462 PolarHBondContact O-N 2.85Å; T459-D462 VanDerWaalsContact OG1-CG 3.25Å; T459-D462 PolarHBondContact OG1-N 3.21Å; T459-D462 PolarHBondContact OG1-OD2 3.31Å; E460-D462 VanDerWaalsContact C-N 3.3Å; E460-D462 PolarHBondContact O-N 3.07Å; D462-L466 WeakPolarHBondContact O-CB 3.26Å; D462-L466 PolarHBondContact O-N 3.38Å; D462-L466 VanDerWaalsContact O-N 3.09Å
463	L	97.3	Very high	95.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.6	-43.1	177.2	-58.2	-172.6	0	0	0	111.6	S321 V324 L325 L328 I405 L410 I458 T459 E460 S461 L466 L467	S321-L463 WeakPolarHBondContact O-CD2 3.16Å; V324-L463 HydrophobicContact CB-CD2 4.22Å; V324-L463 HydrophobicContact CG1-CD1 4.21Å; V324-L463 HydrophobicContact CG1-CD2 4.12Å; L325-L463 HydrophobicContact CB-CD2 4.2Å; L328-L463 HydrophobicContact CD2-CD1 3.95Å; I405-L463 HydrophobicContact CD1-CB 4.01Å; I405-L463 HydrophobicContact CD1-CD1 3.82Å; L410-L463 HydrophobicContact CD1-CD1 3.73Å; I458-L463 HydrophobicContact CG2-CD2 3.82Å; I458-L463 HydrophobicContact CG2-CG 4.19Å; T459-L463 PolarHBondContact O-N 3.14Å; E460-L463 PolarHBondContact O-N 3.19Å; E460-L463 VanDerWaalsContact O-N 3.16Å; S461-L463 VanDerWaalsContact C-N 3.28Å; S461-L463 PolarHBondContact O-N 3.35Å; L463-L466 PolarHBondContact O-N 3.11Å; L463-L467 WeakPolarHBondContact O-CB 3.45Å; L463-L467 PolarHBondContact O-N 2.93Å
464	H	95.8	Very high	95.2	Very high	43 Å²	43	53.7 Å²	53.7	20%	0.199	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-43	175.6	-70.2	165.8	0	0	0	111.8	T400 S403 E460 S461 L467 H468	T400-H464 PolarHBondContact O-NE2 3.37Å; S403-H464 PolarHBondContact O-NE2 3.33Å; E460-H464 PolarHBondContact O-N 3.46Å; E460-H464 IonicContact OE1-CE1 3.78Å; E460-H464 PolarHBondContact OE1-CE1 2.92Å; E460-H464 VanDerWaalsContact OE1-CE1 3.25Å; E460-H464 IonicContact OE1-NE2 3.16Å; S461-H464 PolarHBondContact O-N 3.38Å; H464-L467 PolarHBondContact O-N 3.49Å; H464-H468 WeakPolarHBondContact O-CB 3.41Å; H464-H468 PolarHBondContact O-N 3.32Å
465	E	95.1	Very high	95	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	28%	0.279	S	S	.	.	H	α-helix	trans	-61.3	-46.1	177	-176.1	176.8	-179.7	0	0	111.3	S461 H468 R469	S461-E465 WeakPolarHBondContact O-CB 3.48Å; S461-E465 PolarHBondContact O-N 3.33Å; E465-H468 PolarHBondContact O-N 2.97Å; E465-R469 WeakPolarHBondContact O-CB 3.43Å; E465-R469 PolarHBondContact O-N 2.93Å
466	L	96	Very high	94.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-50.3	177.5	176	61.5	0	0	0	111.4	Q318 A322 L325 D462 L463 H468 R469 M470	Q318-L466 HydrophobicContact CB-CD1 4.37Å; A322-L466 VanDerWaalsContact CA-CD2 3.41Å; A322-L466 HydrophobicContact CB-CD2 3.71Å; A322-L466 VanDerWaalsContact N-CD2 3.35Å; L325-L466 HydrophobicContact CD2-CD2 4.12Å; D462-L466 WeakPolarHBondContact O-CB 3.26Å; D462-L466 PolarHBondContact O-N 3.38Å; D462-L466 VanDerWaalsContact O-N 3.09Å; L463-L466 PolarHBondContact O-N 3.11Å; L466-H468 PolarHBondContact O-N 3.46Å; L466-R469 WeakPolarHBondContact O-CB 3.4Å; L466-R469 PolarHBondContact O-N 3.42Å; L466-M470 HydrophobicContact CD1-CG 4.14Å; L466-M470 HydrophobicContact CD1-SD 4.17Å; L466-M470 HydrophobicContact CG-CE 4.04Å; L466-M470 HydrophobicContact CG-SD 4.29Å; L466-M470 VanDerWaalsContact O-CG 3.3Å; L466-M470 WeakPolarHBondContact O-CG 3.47Å; L466-M470 PolarHBondContact O-N 2.67Å
467	L	94.6	Very high	94.9	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.3	-80	163.5	0	0	0	112.1	L325 L397 T400 I401 L463 H464 R469 M470 I471	L325-L467 HydrophobicContact CD1-CD1 3.77Å; L325-L467 HydrophobicContact CD1-CD2 4.17Å; L325-L467 HydrophobicContact CD1-CG 4Å; L325-L467 HydrophobicContact CD2-CD1 4.43Å; L325-L467 HydrophobicContact CD2-CD2 3.7Å; L325-L467 HydrophobicContact CD2-CG 3.72Å; L397-L467 HydrophobicContact CD2-CD2 4.48Å; T400-L467 HydrophobicContact CG2-CD1 3.5Å; I401-L467 HydrophobicContact CD1-CB 3.93Å; I401-L467 HydrophobicContact CG1-CB 3.53Å; I401-L467 HydrophobicContact CG1-CD1 4.01Å; I401-L467 HydrophobicContact CG1-CD2 4.49Å; I401-L467 HydrophobicContact CG1-CG 4.24Å; L463-L467 WeakPolarHBondContact O-CB 3.45Å; L463-L467 PolarHBondContact O-N 2.93Å; H464-L467 PolarHBondContact O-N 3.49Å; L467-R469 VanDerWaalsContact C-N 3.29Å; L467-R469 PolarHBondContact O-N 3.46Å; L467-M470 HydrophobicContact CD2-CE 3.89Å; L467-M470 HydrophobicContact CG-CE 4.37Å; L467-M470 PolarHBondContact O-N 3.11Å; L467-I471 WeakPolarHBondContact O-CG1 3.42Å; L467-I471 PolarHBondContact O-N 3.12Å
468	H	93.5	Very high	94.9	Very high	90 Å²	90	49.2 Å²	49.2	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-61.8	-40.1	177.9	-174.2	-71.9	0	0	0	111	H464 E465 L466 H472	H464-H468 WeakPolarHBondContact O-CB 3.41Å; H464-H468 PolarHBondContact O-N 3.32Å; E465-H468 PolarHBondContact O-N 2.97Å; L466-H468 PolarHBondContact O-N 3.46Å; H468-H472 AromaticContact CD2-CD2 3.42Å; H468-H472 PolarHBondContact CD2-CD2 2.89Å; H468-H472 VanDerWaalsContact CD2-CD2 3.42Å; H468-H472 AromaticContact CD2-NE2 3.94Å; H468-H472 AromaticContact CE1-CD2 3.79Å; H468-H472 AromaticContact CG-CD2 3.64Å; H468-H472 AromaticContact ND1-CD2 3.87Å; H468-H472 AromaticContact NE2-CD2 3.54Å; H468-H472 WeakPolarHBondContact O-CB 3.21Å; H468-H472 PolarHBondContact O-CD2 2.89Å; H468-H472 PolarHBondContact O-N 3.39Å
469	R	93.4	Very high	94.9	Very high	55 Å²	55	48.5 Å²	48.5	21%	0.208	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-53.1	172.4	-176.8	180	73.9	167.5	-0.3	110.8	D316 E465 L466 L467 I471 R473	D316-R469 IonicContact OD2-NH1 2.63Å; D316-R469 PolarHBondContact OD2-NH1 3.23Å; E465-R469 WeakPolarHBondContact O-CB 3.43Å; E465-R469 PolarHBondContact O-N 2.93Å; L466-R469 WeakPolarHBondContact O-CB 3.4Å; L466-R469 PolarHBondContact O-N 3.42Å; L467-R469 VanDerWaalsContact C-N 3.29Å; L467-R469 PolarHBondContact O-N 3.46Å; R469-I471 PolarHBondContact O-N 2.97Å; R469-R473 WeakPolarHBondContact O-CA 3.43Å; R469-R473 VanDerWaalsContact O-CB 3.23Å; R469-R473 WeakPolarHBondContact O-CB 3.41Å; R469-R473 PolarHBondContact O-N 3.32Å
470	M	94.7	Very high	94.9	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-44.8	-176.4	-68.3	-169	-57.1	0	0	112.7	F309 E310 L325 F375 L466 L467 C474	F309-M470 HydrophobicContact CB-CB 3.82Å; F309-M470 HydrophobicContact CB-CG 4.42Å; F309-M470 VanDerWaalsContact CD1-O 3.29Å; F309-M470 WeakPolarHBondContact CD1-O 3.43Å; F309-M470 HydrophobicContact CG-CB 4.24Å; E310-M470 WeakPolarHBondContact O-CG 3.04Å; L325-M470 HydrophobicContact CD2-CE 3.57Å; F375-M470 HydrophobicContact CB-CE 4.35Å; F375-M470 HydrophobicContact CB-SD 3.67Å; F375-M470 HydrophobicContact CD1-CE 4.28Å; F375-M470 HydrophobicContact CG-CE 4.17Å; F375-M470 HydrophobicContact CG-SD 4.12Å; L466-M470 HydrophobicContact CD1-CG 4.14Å; L466-M470 HydrophobicContact CD1-SD 4.17Å; L466-M470 HydrophobicContact CG-CE 4.04Å; L466-M470 HydrophobicContact CG-SD 4.29Å; L466-M470 VanDerWaalsContact O-CG 3.3Å; L466-M470 WeakPolarHBondContact O-CG 3.47Å; L466-M470 PolarHBondContact O-N 2.67Å; L467-M470 HydrophobicContact CD2-CE 3.89Å; L467-M470 HydrophobicContact CG-CE 4.37Å; L467-M470 PolarHBondContact O-N 3.11Å; M470-C474 WeakPolarHBondContact O-CB 3.42Å
471	I	91.8	Very high	94.9	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-79.7	-40.7	-174.2	-62.2	-157.2	0	0	0	112.4	F309 L397 I401 L467 R469 L497	F309-I471 HydrophobicContact CD1-CG1 4.46Å; F309-I471 HydrophobicContact CE1-CB 4.47Å; F309-I471 HydrophobicContact CE1-CG1 4.03Å; F309-I471 HydrophobicContact CE2-CG1 4.43Å; F309-I471 HydrophobicContact CZ-CD1 4.22Å; F309-I471 HydrophobicContact CZ-CG1 4.02Å; L397-I471 HydrophobicContact CB-CD1 3.88Å; L397-I471 HydrophobicContact CD1-CD1 4.45Å; I401-I471 HydrophobicContact CD1-CB 4.05Å; I401-I471 HydrophobicContact CD1-CD1 3.41Å; I401-I471 VanDerWaalsContact CD1-CD1 3.41Å; I401-I471 HydrophobicContact CD1-CG1 3.85Å; I401-I471 HydrophobicContact CD1-CG2 4.5Å; L467-I471 WeakPolarHBondContact O-CG1 3.42Å; L467-I471 PolarHBondContact O-N 3.12Å; R469-I471 PolarHBondContact O-N 2.97Å; I471-L497 HydrophobicContact CD1-CD2 4.29Å; I471-L497 HydrophobicContact CG2-CB 4.47Å; I471-L497 HydrophobicContact CG2-CD2 4.07Å
472	H	89.1	Confident	94.8	Very high	68 Å²	68	38.7 Å²	38.7	32%	0.315	17%	0.172	S	C	.	.	H	α-helix	trans	-98.3	-18.6	-171.5	-59.5	-65.8	0	0	0	114.3	H468	H468-H472 AromaticContact CD2-CD2 3.42Å; H468-H472 PolarHBondContact CD2-CD2 2.89Å; H468-H472 VanDerWaalsContact CD2-CD2 3.42Å; H468-H472 AromaticContact CD2-NE2 3.94Å; H468-H472 AromaticContact CE1-CD2 3.79Å; H468-H472 AromaticContact CG-CD2 3.64Å; H468-H472 AromaticContact ND1-CD2 3.87Å; H468-H472 AromaticContact NE2-CD2 3.54Å; H468-H472 WeakPolarHBondContact O-CB 3.21Å; H468-H472 PolarHBondContact O-CD2 2.89Å; H468-H472 PolarHBondContact O-N 3.39Å
473	R	87.8	Confident	94.8	Very high	198 Å²	198	41.6 Å²	41.6	75%	0.747	18%	0.18	S	C	*	.	H	α-helix	trans	-106.3	-17	-179.3	-54.8	-169.7	178.1	-178	1.6	114	R469	R469-R473 WeakPolarHBondContact O-CA 3.43Å; R469-R473 VanDerWaalsContact O-CB 3.23Å; R469-R473 WeakPolarHBondContact O-CB 3.41Å; R469-R473 PolarHBondContact O-N 3.32Å
474	C	90.4	Very high	94.7	Very high	24 Å²	24	41.8 Å²	41.8	16%	0.162	18%	0.181	C	C	.	.	S	Bend	trans	-111.5	145.5	-178.3	-52.5	0	0	0	0	110.7	Y281 E310 M470	Y281-C474 HydrophobicContact CE1-CB 4.34Å; E310-C474 HydrophobicContact CB-CB 4.17Å; M470-C474 WeakPolarHBondContact O-CB 3.42Å
475	K	93.8	Very high	94.7	Very high	152 Å²	152	44 Å²	44	66%	0.661	19%	0.194	S	C	*	.			trans	-69.8	130.8	171	-68.6	179.7	-178.4	174.9	0	109	Y281	Y281-K475 WeakPolarHBondContact CE1-O 3.27Å; Y281-K475 VanDerWaalsContact CZ-O 3.3Å; Y281-K475 PolarHBondContact OH-O 2.99Å
476	P	96.6	Very high	94.7	Very high	10 Å²	10	42.9 Å²	42.9	7%	0.065	19%	0.187	C	C	.	.			trans	-67.8	153.7	177.9	28.1	-34	0	0	0	111.3	G284 F309 L490 I494 L497	G284-P476 PolarHBondContact N-O 2.86Å; F309-P476 HydrophobicContact CD1-CB 4.34Å; F309-P476 HydrophobicContact CE1-CB 3.89Å; P476-L490 HydrophobicContact CG-CD1 4.25Å; P476-I494 HydrophobicContact CG-CD1 4.22Å; P476-I494 HydrophobicContact CG-CG1 3.42Å; P476-I494 VanDerWaalsContact CG-CG1 3.42Å; P476-L497 HydrophobicContact CB-CD1 3.71Å; P476-L497 HydrophobicContact CG-CD1 3.79Å
477	T	98.2	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.7	165.5	-60.3	0	0	0	0	108.2	L193 A196 A197 Y281 G283 G284 I307 G308 V479	L193-T477 HydrophobicContact CD2-CG2 4.28Å; A196-T477 HydrophobicContact CB-CG2 3.5Å; A197-T477 HydrophobicContact CB-CG2 4.22Å; Y281-T477 PolarHBondContact OH-N 3.33Å; Y281-T477 PolarHBondContact OH-OG1 3.08Å; G283-T477 WeakPolarHBondContact CA-OG1 3.25Å; G284-T477 CarbonylContact O-C 3.58Å; G284-T477 VanDerWaalsContact O-CA 3.29Å; G284-T477 WeakPolarHBondContact O-CA 3.08Å; I307-T477 CarbonylContact C-O 3.58Å; I307-T477 VanDerWaalsContact CA-O 3.32Å; I307-T477 WeakPolarHBondContact CA-O 3.37Å; G308-T477 PolarHBondContact N-O 2.66Å; G308-T477 PolarHBondContact O-N 3.3Å; T477-V479 HydrophobicContact CG2-CG1 4.22Å
478	L	98.2	Very high	94.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	124.3	175	173.3	66	0	0	0	109.6	G284 Y285 Y286 V305 G306 I307 V390 L487 L490 T493	G284-L478 PolarHBondContact O-N 3.17Å; Y285-L478 VanDerWaalsContact CA-O 3.28Å; Y285-L478 WeakPolarHBondContact CA-O 3.47Å; Y285-L478 HydrophobicContact CD2-CB 4.03Å; Y285-L478 HydrophobicContact CD2-CD2 3.98Å; Y285-L478 HydrophobicContact CD2-CG 4.03Å; Y285-L478 WeakPolarHBondContact CD2-O 3.22Å; Y285-L478 HydrophobicContact CE2-CB 4.49Å; Y285-L478 HydrophobicContact CE2-CD2 3.65Å; Y285-L478 HydrophobicContact CE2-CG 3.99Å; Y286-L478 PolarHBondContact N-O 2.87Å; V305-L478 HydrophobicContact CG1-CD1 3.82Å; G306-L478 WeakPolarHBondContact O-CA 3.35Å; I307-L478 HydrophobicContact CG1-CD1 4.03Å; V390-L478 HydrophobicContact CG2-CD1 4.22Å; L478-L487 HydrophobicContact CD1-CD1 4.32Å; L478-L490 HydrophobicContact CB-CD1 3.91Å; L478-T493 HydrophobicContact CD2-CG2 4.28Å; L478-T493 VanDerWaalsContact CD2-OG1 3.3Å; L478-T493 WeakPolarHBondContact CD2-OG1 3.4Å
479	V	98.4	Very high	94.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.7	175.2	-53.5	0	0	0	0	111.5	M189 L192 L193 A196 Y286 V305 G306 T477	M189-V479 HydrophobicContact CE-CG2 3.54Å; L192-V479 HydrophobicContact CB-CB 4.26Å; L192-V479 HydrophobicContact CB-CG1 4.32Å; L192-V479 HydrophobicContact CB-CG2 4.31Å; L193-V479 HydrophobicContact CD1-CG2 4.49Å; L193-V479 HydrophobicContact CD2-CG1 4.26Å; L193-V479 HydrophobicContact CD2-CG2 3.75Å; L193-V479 HydrophobicContact CG-CG1 4.46Å; L193-V479 HydrophobicContact CG-CG2 3.65Å; A196-V479 HydrophobicContact CB-CG1 3.6Å; Y286-V479 CarbonylContact O-C 3.09Å; Y286-V479 WeakPolarHBondContact O-CA 3.25Å; V305-V479 WeakPolarHBondContact CA-O 3.36Å; G306-V479 PolarHBondContact N-O 3.37Å; G306-V479 PolarHBondContact O-N 2.87Å; T477-V479 HydrophobicContact CG2-CG1 4.22Å
480	G	97.8	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.1	169.5	0	0	0	0	0	111.6	Y286 L288 H304 V484	Y286-G480 PolarHBondContact O-N 2.9Å; L288-G480 PolarHBondContact N-O 3.29Å; H304-G480 CarbonylContact O-C 3.51Å; H304-G480 VanDerWaalsContact O-CA 3.29Å; H304-G480 WeakPolarHBondContact O-CA 3.16Å; G480-V484 VanDerWaalsContact C-CG1 3.49Å
481	F	97.1	Very high	95	Very high	1 Å²	1	48.9 Å²	48.9	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.5	176.6	174.9	-127.1	0	0	0	111.2	P183 I188 M189 L192 L288 R290 L292 H304	P183-F481 HydrophobicContact CB-CE1 4.16Å; P183-F481 HydrophobicContact CB-CZ 3.68Å; P183-F481 HydrophobicContact CG-CE1 4.25Å; P183-F481 HydrophobicContact CG-CZ 3.69Å; I188-F481 HydrophobicContact CB-CE1 4.44Å; I188-F481 HydrophobicContact CG2-CD1 4.02Å; I188-F481 HydrophobicContact CG2-CD2 4.15Å; I188-F481 HydrophobicContact CG2-CE1 3.97Å; I188-F481 HydrophobicContact CG2-CE2 4.09Å; I188-F481 HydrophobicContact CG2-CG 4.13Å; I188-F481 HydrophobicContact CG2-CZ 4Å; M189-F481 HydrophobicContact SD-CB 3.51Å; M189-F481 VanDerWaalsContact SD-CB 3.51Å; M189-F481 HydrophobicContact SD-CD1 4.35Å; M189-F481 HydrophobicContact SD-CG 4.35Å; L192-F481 HydrophobicContact CD1-CB 3.92Å; L192-F481 HydrophobicContact CD1-CD2 4.45Å; L192-F481 HydrophobicContact CD1-CG 4.37Å; L288-F481 HydrophobicContact CB-CD2 4.02Å; L288-F481 HydrophobicContact CD2-CD2 3.75Å; L288-F481 HydrophobicContact CD2-CE2 3.81Å; L288-F481 HydrophobicContact CG-CD2 3.91Å; L288-F481 HydrophobicContact CG-CE2 4.19Å; L288-F481 WeakPolarHBondContact O-CA 3.48Å; R290-F481 HydrophobicContact CB-CE2 4.1Å; L292-F481 HydrophobicContact CD1-CD1 4.37Å; L292-F481 HydrophobicContact CD1-CE1 4.02Å; L292-F481 HydrophobicContact CD1-CZ 4.29Å; L292-F481 HydrophobicContact CD2-CE1 4.34Å; L292-F481 HydrophobicContact CD2-CE2 4.48Å; L292-F481 HydrophobicContact CD2-CZ 3.89Å; H304-F481 HydrophobicContact CB-CB 4.28Å; H304-F481 AromaticContact CD2-CD1 3.58Å; H304-F481 PolarHBondContact N-O 3.33Å; H304-F481 PolarHBondContact O-N 3.32Å
482	G	95.3	Very high	95.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	101.8	-144.5	-175.4	0	0	0	0	0	111.5	L288 E289 R290 V484	L288-G482 PolarHBondContact O-N 3.21Å; E289-G482 VanDerWaalsContact CA-O 3.27Å; E289-G482 WeakPolarHBondContact CA-O 3.38Å; R290-G482 PolarHBondContact N-O 3.3Å; R290-G482 CarbonylContact O-C 3.58Å; R290-G482 WeakPolarHBondContact O-CA 3.16Å; G482-V484 PolarHBondContact O-N 2.71Å
483	R	95.4	Very high	95.3	Very high	109 Å²	109	50.2 Å²	50.2	41%	0.411	24%	0.236	S	C	.	.	S	Bend	trans	-78.3	103.4	172.7	-72.6	178.3	65.5	-173.6	1.2	110.7	R290 E301 A303 P383	R290-R483 PolarHBondContact O-N 2.88Å; E301-R483 WeakPolarHBondContact OE1-CD 3.35Å; E301-R483 WeakPolarHBondContact OE1-CG 3.22Å; E301-R483 WeakPolarHBondContact OE2-CD 3.3Å; E301-R483 IonicContact OE2-NH1 3.69Å; E301-R483 PolarHBondContact OE2-NH1 3.39Å; E301-R483 VanDerWaalsContact OE2-NH1 3.16Å; A303-R483 VanDerWaalsContact CB-O 3.26Å; A303-R483 WeakPolarHBondContact CB-O 3.41Å; P383-R483 HydrophobicContact CB-CB 3.73Å; P383-R483 HydrophobicContact CG-CB 3.89Å
484	V	96	Very high	95.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	21%	0.214	C	C	.	.			trans	-112.3	20.2	-167.6	-65.4	0	0	0	0	113.5	K287 E289 L386 G480 G482 K486 L487	K287-V484 HydrophobicContact CB-CG2 4.16Å; K287-V484 HydrophobicContact CD-CG2 4.37Å; K287-V484 HydrophobicContact CG-CG2 4.17Å; E289-V484 HydrophobicContact CB-CG2 4.07Å; E289-V484 HydrophobicContact CG-CG2 4.38Å; L386-V484 HydrophobicContact CD2-CB 4.18Å; L386-V484 HydrophobicContact CD2-CG1 4.01Å; G480-V484 VanDerWaalsContact C-CG1 3.49Å; G482-V484 PolarHBondContact O-N 2.71Å; V484-K486 PolarHBondContact O-N 3.37Å; V484-L487 HydrophobicContact CB-CB 4.12Å; V484-L487 VanDerWaalsContact O-CB 3.31Å; V484-L487 WeakPolarHBondContact O-CB 3.36Å; V484-L487 PolarHBondContact O-N 2.97Å
485	D	95.1	Very high	95.6	Very high	90 Å²	90	45.3 Å²	45.3	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.8	178.1	60	-70.3	0	0	0	112.4
486	K	95.5	Very high	95.5	Very high	91 Å²	91	39.6 Å²	39.6	40%	0.396	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	2	174.4	-60.9	-57.4	-178.7	179.4	0	114.4	L386 D387 V484 P488	L386-K486 HydrophobicContact CB-CB 3.94Å; D387-K486 WeakPolarHBondContact CA-O 3.18Å; D387-K486 WeakPolarHBondContact CB-O 3.24Å; D387-K486 PolarHBondContact N-O 3.43Å; V484-K486 PolarHBondContact O-N 3.37Å; K486-P488 WeakPolarHBondContact O-CD 3.4Å
487	L	96.9	Very high	95.2	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-68.9	122.7	177.1	-170.2	77.2	0	0	0	109.4	Y285 K287 V305 L386 V390 L478 V484	Y285-L487 HydrophobicContact CE2-CD2 3.84Å; Y285-L487 HydrophobicContact CE2-CG 4.49Å; K287-L487 HydrophobicContact CD-CD2 4.3Å; K287-L487 HydrophobicContact CG-CD2 3.69Å; K287-L487 PolarHBondContact NZ-O 3.26Å; V305-L487 HydrophobicContact CG1-CD1 4.38Å; V305-L487 HydrophobicContact CG2-CD1 3.64Å; L386-L487 HydrophobicContact CD2-CB 3.84Å; L386-L487 HydrophobicContact CD2-CD1 3.97Å; L386-L487 HydrophobicContact CG-CD1 4.2Å; V390-L487 HydrophobicContact CG2-CD1 4.06Å; L478-L487 HydrophobicContact CD1-CD1 4.32Å; V484-L487 HydrophobicContact CB-CB 4.12Å; V484-L487 VanDerWaalsContact O-CB 3.31Å; V484-L487 WeakPolarHBondContact O-CB 3.36Å; V484-L487 PolarHBondContact O-N 2.97Å
488	P	96.2	Very high	94.6	Very high	27 Å²	27	43.6 Å²	43.6	18%	0.175	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.9	165.1	179.8	27.6	-34.1	0	0	0	111.4	Y285 V390 K486 D492	Y285-P488 WeakPolarHBondContact CE2-O 3.39Å; Y285-P488 PolarHBondContact OH-O 3.25Å; V390-P488 HydrophobicContact CB-CG 3.84Å; V390-P488 HydrophobicContact CG1-CG 3.77Å; V390-P488 HydrophobicContact CG2-CG 3.76Å; K486-P488 WeakPolarHBondContact O-CD 3.4Å; P488-D492 HydrophobicContact CB-CB 4.34Å
489	S	96.1	Very high	93.7	Very high	42 Å²	42	44.8 Å²	44.8	29%	0.294	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-69.2	158.6	172.8	74.3	0	0	0	0	110.8	E491 D492 T493	S489-E491 PolarHBondContact O-N 3.04Å; S489-D492 WeakPolarHBondContact CB-OD2 3.33Å; S489-D492 PolarHBondContact N-OD2 3.4Å; S489-D492 PolarHBondContact O-N 3.46Å; S489-D492 WeakPolarHBondContact OG-CB 3.49Å; S489-D492 PolarHBondContact OG-N 3.38Å; S489-D492 PolarHBondContact OG-OD2 2.91Å; S489-T493 PolarHBondContact O-N 2.73Å; S489-T493 VanDerWaalsContact O-N 3.16Å; S489-T493 PolarHBondContact O-OG1 2.68Å
490	L	95.3	Very high	91.7	Very high	40 Å²	40	53.2 Å²	53.2	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-61.3	-36.9	172	-176.2	65	0	0	0	110.9	Y285 P476 L478 T493 I494	Y285-L490 HydrophobicContact CD2-CB 3.93Å; Y285-L490 HydrophobicContact CG-CB 4.15Å; P476-L490 HydrophobicContact CG-CD1 4.25Å; L478-L490 HydrophobicContact CB-CD1 3.91Å; L490-T493 PolarHBondContact O-N 2.62Å; L490-I494 HydrophobicContact CD1-CD1 4.46Å; L490-I494 HydrophobicContact CD2-CD1 4.34Å; L490-I494 HydrophobicContact CG-CD1 3.87Å; L490-I494 HydrophobicContact CG-CG1 4.38Å; L490-I494 VanDerWaalsContact O-CG1 3.27Å; L490-I494 WeakPolarHBondContact O-CG1 3.22Å; L490-I494 PolarHBondContact O-N 3.48Å
491	E	95.3	Very high	89.3	Confident	158 Å²	158	55.2 Å²	55.2	74%	0.738	29%	0.286	S	S	*	.	H	α-helix	trans	-64.2	-44.6	179	-66.4	178.2	-176.7	0	0	112	S489 T493 I494 S495	S489-E491 PolarHBondContact O-N 3.04Å; E491-T493 VanDerWaalsContact C-N 3.26Å; E491-T493 PolarHBondContact O-N 3.16Å; E491-I494 PolarHBondContact O-N 3.39Å; E491-S495 WeakPolarHBondContact O-CB 3.46Å; E491-S495 PolarHBondContact O-N 2.77Å
492	D	93.9	Very high	86.6	Confident	100 Å²	100	63.7 Å²	63.7	54%	0.535	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-40.4	174.7	-65.6	-45.1	0	0	0	111.1	P488 S489 S495 L496	P488-D492 HydrophobicContact CB-CB 4.34Å; S489-D492 WeakPolarHBondContact CB-OD2 3.33Å; S489-D492 PolarHBondContact N-OD2 3.4Å; S489-D492 PolarHBondContact O-N 3.46Å; S489-D492 WeakPolarHBondContact OG-CB 3.49Å; S489-D492 PolarHBondContact OG-N 3.38Å; S489-D492 PolarHBondContact OG-OD2 2.91Å; D492-S495 PolarHBondContact O-N 3.29Å; D492-L496 WeakPolarHBondContact O-CB 3.32Å; D492-L496 PolarHBondContact O-N 2.76Å
493	T	92.8	Very high	83.9	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.012	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-40.9	179.5	-52.7	0	0	0	0	111.6	V390 V394 L478 S489 L490 E491 L496 L497	V390-T493 HydrophobicContact CG1-CG2 4.03Å; V394-T493 HydrophobicContact CG2-CG2 4.29Å; L478-T493 HydrophobicContact CD2-CG2 4.28Å; L478-T493 VanDerWaalsContact CD2-OG1 3.3Å; L478-T493 WeakPolarHBondContact CD2-OG1 3.4Å; S489-T493 PolarHBondContact O-N 2.73Å; S489-T493 VanDerWaalsContact O-N 3.16Å; S489-T493 PolarHBondContact O-OG1 2.68Å; L490-T493 PolarHBondContact O-N 2.62Å; E491-T493 VanDerWaalsContact C-N 3.26Å; E491-T493 PolarHBondContact O-N 3.16Å; T493-L496 WeakPolarHBondContact O-CB 2.91Å; T493-L496 PolarHBondContact O-N 3.33Å; T493-L497 HydrophobicContact CG2-CD1 4.23Å; T493-L497 WeakPolarHBondContact O-CB 3.45Å; T493-L497 WeakPolarHBondContact O-CG 3.39Å; T493-L497 PolarHBondContact O-N 3.41Å
494	I	92.9	Very high	81.2	Confident	56 Å²	56	73.5 Å²	73.5	29%	0.287	37%	0.367	S	S	.	.	H	α-helix	trans	-61.9	-45.3	171.9	-71.1	165.3	0	0	0	110.3	P476 L490 E491 L496 L497 N498	P476-I494 HydrophobicContact CG-CD1 4.22Å; P476-I494 HydrophobicContact CG-CG1 3.42Å; P476-I494 VanDerWaalsContact CG-CG1 3.42Å; L490-I494 HydrophobicContact CD1-CD1 4.46Å; L490-I494 HydrophobicContact CD2-CD1 4.34Å; L490-I494 HydrophobicContact CG-CD1 3.87Å; L490-I494 HydrophobicContact CG-CG1 4.38Å; L490-I494 VanDerWaalsContact O-CG1 3.27Å; L490-I494 WeakPolarHBondContact O-CG1 3.22Å; L490-I494 PolarHBondContact O-N 3.48Å; E491-I494 PolarHBondContact O-N 3.39Å; I494-L496 VanDerWaalsContact C-N 3.26Å; I494-L496 PolarHBondContact O-N 3.22Å; I494-L497 PolarHBondContact O-N 3.28Å; I494-N498 WeakPolarHBondContact CG2-ND2 3.47Å; I494-N498 WeakPolarHBondContact O-CB 3.5Å; I494-N498 PolarHBondContact O-N 3.45Å; I494-N498 PolarHBondContact O-ND2 3.42Å
495	S	92.1	Very high	78.9	Confident	63 Å²	63	74.4 Å²	74.4	44%	0.441	37%	0.37	S	S	.	.	H	α-helix	trans	-60.4	-39.4	176.5	179	0	0	0	0	111.3	E491 D492 N498 S499	E491-S495 WeakPolarHBondContact O-CB 3.46Å; E491-S495 PolarHBondContact O-N 2.77Å; D492-S495 PolarHBondContact O-N 3.29Å; S495-N498 PolarHBondContact O-N 2.61Å; S495-S499 WeakPolarHBondContact O-CB 3.39Å; S495-S499 PolarHBondContact O-N 3.32Å; S495-S499 VanDerWaalsContact O-N 3.08Å
496	L	90.4	Very high	76.2	Confident	32 Å²	32	77.9 Å²	77.9	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-66.5	-44.9	176.6	-172.6	66.7	0	0	0	111.4	Y391 V394 H398 D492 T493 I494 N498 S499	Y391-L496 HydrophobicContact CD2-CD1 3.69Å; Y391-L496 HydrophobicContact CD2-CD2 3.75Å; Y391-L496 HydrophobicContact CD2-CG 4.38Å; Y391-L496 HydrophobicContact CE2-CD1 3.73Å; Y391-L496 HydrophobicContact CG-CD2 4.37Å; V394-L496 HydrophobicContact CB-CD2 3.67Å; V394-L496 HydrophobicContact CB-CG 4.22Å; V394-L496 HydrophobicContact CG1-CB 4.29Å; V394-L496 HydrophobicContact CG1-CD2 3.64Å; V394-L496 HydrophobicContact CG1-CG 3.6Å; V394-L496 HydrophobicContact CG2-CD2 4.08Å; H398-L496 PolarHBondContact NE2-O 3.37Å; D492-L496 WeakPolarHBondContact O-CB 3.32Å; D492-L496 PolarHBondContact O-N 2.76Å; T493-L496 WeakPolarHBondContact O-CB 2.91Å; T493-L496 PolarHBondContact O-N 3.33Å; I494-L496 VanDerWaalsContact C-N 3.26Å; I494-L496 PolarHBondContact O-N 3.22Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 3.27Å; L496-S499 PolarHBondContact O-N 2.98Å; L496-S499 PolarHBondContact O-OG 2.98Å
497	L	90.2	Very high	73.5	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.016	39%	0.387	C	S	.	.	H	α-helix	trans	-62.2	-35.1	176.1	-76.4	164.2	0	0	0	112.6	F309 V394 H398 I471 P476 T493 I494	F309-L497 HydrophobicContact CE1-CD1 4.05Å; F309-L497 HydrophobicContact CE1-CD2 4.39Å; F309-L497 HydrophobicContact CZ-CD1 4.12Å; F309-L497 HydrophobicContact CZ-CD2 3.96Å; V394-L497 HydrophobicContact CB-CD2 4.49Å; V394-L497 HydrophobicContact CG1-CD2 3.72Å; V394-L497 HydrophobicContact CG1-CG 3.98Å; V394-L497 HydrophobicContact CG2-CD2 4.17Å; V394-L497 HydrophobicContact CG2-CG 4.29Å; H398-L497 PolarHBondContact CE1-O 3.03Å; H398-L497 WeakPolarHBondContact NE2-CA 3.17Å; H398-L497 PolarHBondContact NE2-O 2.84Å; I471-L497 HydrophobicContact CD1-CD2 4.29Å; I471-L497 HydrophobicContact CG2-CB 4.47Å; I471-L497 HydrophobicContact CG2-CD2 4.07Å; P476-L497 HydrophobicContact CB-CD1 3.71Å; P476-L497 HydrophobicContact CG-CD1 3.79Å; T493-L497 HydrophobicContact CG2-CD1 4.23Å; T493-L497 WeakPolarHBondContact O-CB 3.45Å; T493-L497 WeakPolarHBondContact O-CG 3.39Å; T493-L497 PolarHBondContact O-N 3.41Å; I494-L497 PolarHBondContact O-N 3.28Å
498	N	86.4	Confident	70.8	Confident	91 Å²	91	82.9 Å²	82.9	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-87.1	-10.1	179.5	-69.9	-24	0	0	0	114.2	I494 S495 L496 E500	I494-N498 WeakPolarHBondContact CG2-ND2 3.47Å; I494-N498 WeakPolarHBondContact O-CB 3.5Å; I494-N498 PolarHBondContact O-N 3.45Å; I494-N498 PolarHBondContact O-ND2 3.42Å; S495-N498 PolarHBondContact O-N 2.61Å; L496-N498 VanDerWaalsContact C-N 3.31Å; L496-N498 PolarHBondContact O-N 3.27Å; N498-E500 PolarHBondContact O-N 2.96Å; N498-E500 VanDerWaalsContact O-N 3.11Å
499	S	79.6	Confident	68.2	Low	24 Å²	24	85.3 Å²	85.3	17%	0.168	43%	0.429	C	S	.	.			trans	-73.2	102.5	-177.8	67.5	0	0	0	0	111.3	S495 L496 S501 R505	S495-S499 WeakPolarHBondContact O-CB 3.39Å; S495-S499 PolarHBondContact O-N 3.32Å; S495-S499 VanDerWaalsContact O-N 3.08Å; L496-S499 PolarHBondContact O-N 2.98Å; L496-S499 PolarHBondContact O-OG 2.98Å; S499-S501 PolarHBondContact O-N 3.34Å; S499-R505 PolarHBondContact O-NH2 2.94Å; S499-R505 PolarHBondContact OG-NE 3Å; S499-R505 PolarHBondContact OG-NH2 2.97Å; S499-R505 VanDerWaalsContact OG-NH2 3.17Å
500	E	55.1	Low	65.6	Low	178 Å²	178	91 Å²	91	83%	0.832	44%	0.444	S	S	*	.			trans	-72.4	-5.1	-175.5	-74.1	-168	160	0	0	115.4	N498	N498-E500 PolarHBondContact O-N 2.96Å; N498-E500 VanDerWaalsContact O-N 3.11Å
501	S	48.2	Very low	63.1	Low	42 Å²	42	93 Å²	93	29%	0.294	46%	0.458	S	S	.	.			trans	-116.2	109	-170.3	58.4	0	0	0	0	114.6	S499 K503 E504	S499-S501 PolarHBondContact O-N 3.34Å; S501-K503 PolarHBondContact O-N 3.47Å; S501-K503 VanDerWaalsContact O-N 3.08Å; S501-E504 PolarHBondContact O-N 3.47Å
502	Y	40.9	Very low	60.5	Low	179 Å²	179	90.9 Å²	90.9	70%	0.702	45%	0.451	S	S	*	.	H	α-helix	trans	-52.7	-23.2	164.8	-167.6	-102.5	0	0	0	113.1	E395	E395-Y502 WeakPolarHBondContact OE1-CE2 3.39Å
503	K	36.7	Very low	57.9	Low	197 Å²	197	89.2 Å²	89.2	86%	0.857	45%	0.447	S	S	*	.	H	α-helix	trans	-79.4	-30	-178.4	-77.1	-179.5	178.2	175.7	0	115.2	S501	S501-K503 PolarHBondContact O-N 3.47Å; S501-K503 VanDerWaalsContact O-N 3.08Å
504	E	40.2	Very low	55.4	Low	118 Å²	118	93.8 Å²	93.8	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-77.7	-24.5	175.9	-73.7	-170.1	162.3	0	0	112.6	S501 K506 S507	S501-E504 PolarHBondContact O-N 3.47Å; E504-K506 PolarHBondContact O-N 2.84Å; E504-S507 VanDerWaalsContact O-CB 3.24Å; E504-S507 WeakPolarHBondContact O-CB 3.48Å; E504-S507 PolarHBondContact O-N 2.68Å
505	R	47	Very low	53	Low	23 Å²	23	97 Å²	97	9%	0.087	49%	0.488	C	S	.	.	H	α-helix	trans	-68.9	-28.1	-167.1	-68.3	179.5	-175.5	180	1.5	114.7	H398 S499 S507 S509	H398-R505 PolarHBondContact CD2-NH2 3.35Å; H398-R505 PolarHBondContact CE1-NH2 3.39Å; H398-R505 PolarHBondContact NE2-NH2 3.45Å; H398-R505 VanDerWaalsContact NE2-NH2 3.19Å; S499-R505 PolarHBondContact O-NH2 2.94Å; S499-R505 PolarHBondContact OG-NE 3Å; S499-R505 PolarHBondContact OG-NH2 2.97Å; S499-R505 VanDerWaalsContact OG-NH2 3.17Å; R505-S507 PolarHBondContact O-N 2.75Å; R505-S509 PolarHBondContact O-N 3.34Å
506	K	39.2	Very low	50.4	Low	163 Å²	163	101.4 Å²	101.4	71%	0.709	50%	0.499	S	S	*	.	H	α-helix	trans	-69	-18.9	172.3	-123.3	179	-173.8	174.2	0	113.1	E504 R510	E504-K506 PolarHBondContact O-N 2.84Å; K506-R510 WeakPolarHBondContact O-CD 3.21Å; K506-R510 WeakPolarHBondContact O-CG 3.41Å
507	S	39.1	Very low	48	Very low	75 Å²	75	107.1 Å²	107.1	52%	0.524	52%	0.523	S	S	.	.	H	α-helix	trans	-81.9	-50.5	177.6	-174.2	0	0	0	0	111.5	E504 R505 S509 R510 T511	E504-S507 VanDerWaalsContact O-CB 3.24Å; E504-S507 WeakPolarHBondContact O-CB 3.48Å; E504-S507 PolarHBondContact O-N 2.68Å; R505-S507 PolarHBondContact O-N 2.75Å; S507-S509 PolarHBondContact O-N 3.36Å; S507-R510 WeakPolarHBondContact O-CB 3.16Å; S507-R510 PolarHBondContact O-N 3.49Å; S507-R510 VanDerWaalsContact O-N 3.14Å; S507-T511 PolarHBondContact O-N 3.39Å; S507-T511 PolarHBondContact O-OG1 3.18Å
508	K	40.1	Very low	45.4	Very low	127 Å²	127	110 Å²	110	55%	0.552	55%	0.553	S	S	*	*	H	α-helix	trans	-66.4	-38.2	-177.3	-73.9	-176.7	176.8	176.8	0	114.1	R510 T511 I512	K508-R510 VanDerWaalsContact C-N 3.27Å; K508-R510 PolarHBondContact O-N 3.25Å; K508-T511 PolarHBondContact O-N 2.79Å; K508-I512 PolarHBondContact O-N 3.41Å
509	S	41.4	Very low	43.1	Very low	78 Å²	78	115 Å²	115	55%	0.545	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-33.2	173.6	171.1	0	0	0	0	112.4	R505 S507 S513	R505-S509 PolarHBondContact O-N 3.34Å; S507-S509 PolarHBondContact O-N 3.36Å; S509-S513 PolarHBondContact O-N 3.44Å
510	R	40.4	Very low	40.9	Very low	161 Å²	161	124.1 Å²	124.1	61%	0.608	62%	0.616	S	S	*	*	H	α-helix	trans	-73.2	-34.3	173.9	-75.8	178.6	173.4	-176.5	-3.7	112.4	K506 S507 K508 S513 N514	K506-R510 WeakPolarHBondContact O-CD 3.21Å; K506-R510 WeakPolarHBondContact O-CG 3.41Å; S507-R510 WeakPolarHBondContact O-CB 3.16Å; S507-R510 PolarHBondContact O-N 3.49Å; S507-R510 VanDerWaalsContact O-N 3.14Å; K508-R510 VanDerWaalsContact C-N 3.27Å; K508-R510 PolarHBondContact O-N 3.25Å; R510-S513 PolarHBondContact O-N 2.86Å; R510-N514 VanDerWaalsContact O-CB 3.27Å; R510-N514 WeakPolarHBondContact O-CB 3.06Å; R510-N514 PolarHBondContact O-N 3.09Å; R510-N514 PolarHBondContact O-ND2 3.17Å
511	T	42.7	Very low	40.2	Very low	83 Å²	83	121.5 Å²	121.5	51%	0.509	61%	0.605	S	S	.	*	H	α-helix	trans	-66.2	-38.6	177.8	-45.8	0	0	0	0	112	S507 K508	S507-T511 PolarHBondContact O-N 3.39Å; S507-T511 PolarHBondContact O-OG1 3.18Å; K508-T511 PolarHBondContact O-N 2.79Å
512	I	41.3	Very low	39.8	Very low	114 Å²	114	125.6 Å²	125.6	59%	0.585	62%	0.621	S	S	*	*	H	α-helix	trans	-71.8	-38.8	176.8	-62.1	171.9	0	0	0	111.2	K508 N514	K508-I512 PolarHBondContact O-N 3.41Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 3.38Å
513	S	38.8	Very low	39.7	Very low	65 Å²	65	122.7 Å²	122.7	46%	0.455	62%	0.617	S	S	.	*	H	α-helix	trans	-70.7	-24.3	176.5	175.3	0	0	0	0	114	S509 R510	S509-S513 PolarHBondContact O-N 3.44Å; R510-S513 PolarHBondContact O-N 2.86Å
514	N	40.1	Very low	39.9	Very low	97 Å²	97	118.3 Å²	118.3	52%	0.519	60%	0.603	S	S	.	*	H	α-helix	trans	-84	-16.9	-176.5	-77.9	-16.7	0	0	0	113.9	R510 I512 F516 K517	R510-N514 VanDerWaalsContact O-CB 3.27Å; R510-N514 WeakPolarHBondContact O-CB 3.06Å; R510-N514 PolarHBondContact O-N 3.09Å; R510-N514 PolarHBondContact O-ND2 3.17Å; I512-N514 VanDerWaalsContact C-N 3.34Å; I512-N514 PolarHBondContact O-N 3.38Å; N514-F516 PolarHBondContact O-N 3.27Å; N514-K517 PolarHBondContact O-N 3.27Å
515	I	43.1	Very low	39.9	Very low	125 Å²	125	118.3 Å²	118.3	64%	0.641	61%	0.606	S	S	*	*	H	α-helix	trans	-67.4	-27.2	173.4	-67	169.5	0	0	0	111
516	F	38	Very low	39.4	Very low	154 Å²	154	124.7 Å²	124.7	68%	0.675	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-2	178	-81.2	-81.9	0	0	0	115.1	N514	N514-F516 PolarHBondContact O-N 3.27Å
517	K	39.2	Very low	39.5	Very low	152 Å²	152	121.9 Å²	121.9	66%	0.661	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-0.8	173	-78.9	-173.3	175.3	-177.7	0	114	N514	N514-K517 PolarHBondContact O-N 3.27Å
518	G	35.8	Very low	39.5	Very low	63 Å²	63	125.5 Å²	125.5	65%	0.649	64%	0.644	S	S	*	*	S	Bend	trans	-90.2	8.1	175.3	0	0	0	0	0	115.1
519	F	38.4	Very low	39.4	Very low	196 Å²	196	125.4 Å²	125.4	86%	0.86	65%	0.652	S	S	*	*			trans	-125.5	11.3	-175.8	-97.4	-82.4	0	0	0	114.5
520	I	34.3	Very low	39.3	Very low	217 Å²	217	129.7 Å²	129.7	100%	1.113	66%	0.661	S	S	*	*			trans	-124.5	0	164.2	-55.3	174.6	0	0	0	106

Retrieved 520 of 520 residues in 113.7 ms (Link to these results)

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