A0A3Q0KIM0_SCHMA Loading...

Amiloride-sensitive sodium channel,putative

AlphaFold DB , UniProt , Accession A0A3Q0KIM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 750 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.1	Very low	33.3	Very low	236 Å²	236	143 Å²	143	100%	1.163	79%	0.786	S	S	*	*				0	131.6	0	-77	162.4	127.7	0	0	106.2
2	S	32.2	Very low	33.4	Very low	105 Å²	105	146.8 Å²	146.8	73%	0.734	79%	0.794	S	S	*	*			trans	52.7	135.3	172.2	53.2	0	0	0	0	120.2
3	D	35.3	Very low	33.2	Very low	148 Å²	148	147.9 Å²	147.9	79%	0.791	80%	0.8	S	S	*	*			cis	-154	168.7	-18.2	-105.5	-35.4	0	0	0	113.6
4	T	34.5	Very low	33.1	Very low	123 Å²	123	142.5 Å²	142.5	76%	0.755	80%	0.795	S	S	*	*			trans	-44.7	159.1	-170.8	48.2	0	0	0	0	122.2
5	T	32.9	Very low	32.9	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	80%	0.798	S	S	*	*			trans	-57.4	165.7	161.1	49.9	0	0	0	0	115.7
6	D	36.1	Very low	33	Very low	160 Å²	160	145 Å²	145	86%	0.856	80%	0.802	S	S	*	*			trans	-149.7	165.9	141.9	-132.5	-28.5	0	0	0	114.1
7	N	31.3	Very low	32.7	Very low	122 Å²	122	147.6 Å²	147.6	65%	0.652	81%	0.807	S	S	*	*			trans	-123.5	161.6	-171	-68	-78.4	0	0	0	114.4
8	N	34.4	Very low	32.5	Very low	151 Å²	151	148.3 Å²	148.3	81%	0.807	81%	0.81	S	S	*	*			trans	164.3	133.9	141.5	-82.9	-39.3	0	0	0	109
9	I	32.7	Very low	32.4	Very low	128 Å²	128	146.5 Å²	146.5	66%	0.656	81%	0.806	S	S	*	*			cis	88.1	94.9	32.8	-58.2	167.9	0	0	0	113.8
10	N	34.2	Very low	32.3	Very low	141 Å²	141	149.3 Å²	149.3	75%	0.754	81%	0.813	S	S	*	*				176.2	150.5	118.9	-96.6	-47.8	0	0	0	116.8
11	N	31.3	Very low	32	Very low	138 Å²	138	153.4 Å²	153.4	74%	0.738	82%	0.817	S	S	*	*			trans	-23.4	150.9	167.6	-52.7	-23.2	0	0	0	121.3
12	E	34.4	Very low	31.9	Very low	188 Å²	188	150.5 Å²	150.5	88%	0.879	80%	0.8	S	S	*	*				-165.2	176.5	91.8	-99.1	-165.7	162.6	0	0	114
13	N	31.1	Very low	31.6	Very low	162 Å²	162	152.4 Å²	152.4	87%	0.866	80%	0.802	S	S	*	*			trans	-103.9	160.5	-159.2	-62.1	-64.2	0	0	0	115.1
14	G	32.1	Very low	31.5	Very low	72 Å²	72	152.4 Å²	152.4	74%	0.742	80%	0.801	S	S	*	*			trans	-176.2	72.3	174.1	0	0	0	0	0	119.2
15	N	29.5	Very low	31.2	Very low	156 Å²	156	155.4 Å²	155.4	83%	0.834	81%	0.806	S	S	*	*			trans	35.2	112.5	144	-63.8	-6.4	0	0	0	122
16	I	34.5	Very low	31	Very low	169 Å²	169	155.4 Å²	155.4	87%	0.867	81%	0.811	S	S	*	*				170.3	132.6	108.7	-87.7	155.4	0	0	0	110.2
17	E	28.9	Very low	31	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	79%	0.794	S	S	*	*			trans	-91.1	150	172.7	-61.9	-179	114.5	0	0	111.9
18	N	29.2	Very low	31	Very low	161 Å²	161	149.5 Å²	149.5	86%	0.861	78%	0.783	S	S	*	*			trans	-151.3	132.1	149.6	-149.1	5.3	0	0	0	109.5
19	P	29.3	Very low	31.3	Very low	113 Å²	113	146.9 Å²	146.9	73%	0.734	77%	0.774	S	S	*	*			trans	-108.8	109.8	-160	37.1	-29.6	0	0	0	115.2
20	E	30.8	Very low	31.6	Very low	202 Å²	202	146.9 Å²	146.9	94%	0.944	78%	0.775	S	S	*	*			trans	-131.6	96.3	155.6	-73.6	-158.2	147.2	0	0	111.1
21	R	25.5	Very low	31.7	Very low	237 Å²	237	143.2 Å²	143.2	89%	0.894	76%	0.759	S	S	*	*			trans	-129.5	81.3	170.9	-174.3	-167	-95.3	-162.8	-3.9	110.4
22	H	28.8	Very low	32.2	Very low	175 Å²	175	139.6 Å²	139.6	81%	0.81	74%	0.744	S	S	*	*			trans	-138	147.7	165.8	-95.5	-87.9	0	0	0	111.5
23	N	27.7	Very low	32.8	Very low	145 Å²	145	135 Å²	135	78%	0.775	72%	0.724	S	S	*	*			trans	67.7	71.6	162.4	-52.4	-19	0	0	0	118.2
24	L	31.8	Very low	33.4	Very low	148 Å²	148	131.8 Å²	131.8	78%	0.775	70%	0.703	S	S	*	*			trans	-135.2	38	153.2	-149.7	76.9	0	0	0	114	I27	L24-I27 HydrophobicContact CD2-CD1 4.09Å; L24-I27 HydrophobicContact CG-CD1 4.35Å
25	H	28	Very low	34.3	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.856	69%	0.694	S	S	*	*			trans	-78.2	151.9	161.9	-89.4	-102.6	0	0	0	110.6
26	S	30.1	Very low	35.4	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	68%	0.681	S	S	*	*			trans	79	32.4	174.8	77.2	0	0	0	0	119.3	C28	S26-C28 PolarHBondContact O-N 3.35Å
27	I	35.4	Very low	36.3	Very low	97 Å²	97	128.1 Å²	128.1	50%	0.497	66%	0.66	S	S	.	*			trans	-65.4	117.7	154.9	-62.7	179.5	0	0	0	108.5	L24 C31	L24-I27 HydrophobicContact CD2-CD1 4.09Å; L24-I27 HydrophobicContact CG-CD1 4.35Å; I27-C31 HydrophobicContact CG2-CB 3.94Å
28	C	32	Very low	37.4	Very low	61 Å²	61	123.9 Å²	123.9	41%	0.412	64%	0.643	S	S	.	*			trans	-64.8	140.8	178.7	-176	0	0	0	0	111	S26 L30 C31 C32	S26-C28 PolarHBondContact O-N 3.35Å; C28-L30 PolarHBondContact O-N 3.29Å; C28-L30 VanDerWaalsContact O-N 3.09Å; C28-C31 WeakPolarHBondContact O-CB 3.21Å; C28-C31 PolarHBondContact O-N 2.78Å; C28-C32 PolarHBondContact O-N 2.93Å
29	P	39.3	Very low	38.6	Very low	96 Å²	96	124.2 Å²	124.2	62%	0.623	63%	0.632	S	S	*	*	H	α-helix	trans	-52.8	-33.2	177	-29.7	36.1	0	0	0	114.4	C31 C32 I33	P29-C31 VanDerWaalsContact C-N 3.3Å; P29-C31 PolarHBondContact O-N 2.68Å; P29-C32 PolarHBondContact O-N 2.9Å; P29-I33 WeakPolarHBondContact O-CG1 3.43Å; P29-I33 PolarHBondContact O-N 2.78Å
30	L	39.3	Very low	39.6	Very low	129 Å²	129	123.9 Å²	123.9	68%	0.675	62%	0.619	S	S	*	*	H	α-helix	trans	-60.4	-36.4	174.2	-77.6	162.9	0	0	0	112.9	C28 I33 F34	C28-L30 PolarHBondContact O-N 3.29Å; C28-L30 VanDerWaalsContact O-N 3.09Å; L30-I33 PolarHBondContact O-N 3.28Å; L30-F34 WeakPolarHBondContact O-CB 3.5Å; L30-F34 PolarHBondContact O-N 2.83Å
31	C	37.3	Very low	40.2	Very low	64 Å²	64	117 Å²	117	43%	0.432	59%	0.592	S	S	.	*	H	α-helix	trans	-69.4	-38.4	176.8	-62.6	0	0	0	0	111.5	I27 C28 P29 F34 I35	I27-C31 HydrophobicContact CG2-CB 3.94Å; C28-C31 WeakPolarHBondContact O-CB 3.21Å; C28-C31 PolarHBondContact O-N 2.78Å; P29-C31 VanDerWaalsContact C-N 3.3Å; P29-C31 PolarHBondContact O-N 2.68Å; C31-F34 PolarHBondContact O-N 2.82Å; C31-I35 WeakPolarHBondContact O-CB 3.09Å; C31-I35 VanDerWaalsContact O-CG1 3.28Å; C31-I35 WeakPolarHBondContact O-CG1 3.35Å; C31-I35 PolarHBondContact O-N 3.1Å
32	C	41.7	Very low	41.3	Very low	61 Å²	61	114 Å²	114	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-62.5	-43.3	174.3	-66	0	0	0	0	111.7	C28 P29 I35 Q36	C28-C32 PolarHBondContact O-N 2.93Å; P29-C32 PolarHBondContact O-N 2.9Å; C32-I35 PolarHBondContact O-N 2.96Å; C32-Q36 WeakPolarHBondContact O-CG 3.31Å; C32-Q36 PolarHBondContact O-N 3.05Å
33	I	47.4	Very low	42.3	Very low	91 Å²	91	109.7 Å²	109.7	47%	0.467	56%	0.562	S	S	.	*	H	α-helix	trans	-62.4	-45.8	175	-65.2	164.9	0	0	0	110.5	P29 L30 I35 Q36 E37	P29-I33 WeakPolarHBondContact O-CG1 3.43Å; P29-I33 PolarHBondContact O-N 2.78Å; L30-I33 PolarHBondContact O-N 3.28Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 3.34Å; I33-Q36 PolarHBondContact O-N 2.99Å; I33-Q36 VanDerWaalsContact O-N 3.13Å; I33-E37 HydrophobicContact CG2-CG 4.5Å; I33-E37 PolarHBondContact O-N 3.44Å
34	F	43.3	Very low	43.1	Very low	95 Å²	95	108.7 Å²	108.7	42%	0.417	55%	0.553	S	S	.	*	H	α-helix	trans	-62.3	-40.1	-179.8	-154.6	-103.7	0	0	0	112.3	L30 C31 E37 I38 W622	L30-F34 WeakPolarHBondContact O-CB 3.5Å; L30-F34 PolarHBondContact O-N 2.83Å; C31-F34 PolarHBondContact O-N 2.82Å; F34-E37 PolarHBondContact O-N 2.99Å; F34-I38 HydrophobicContact CD1-CD1 3.65Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å; F34-I38 HydrophobicContact CE1-CD1 3.74Å; F34-I38 VanDerWaalsContact O-CG1 3.3Å; F34-I38 WeakPolarHBondContact O-CG1 3.12Å; F34-I38 PolarHBondContact O-N 2.61Å; F34-W622 HydrophobicContact CZ-CH2 4.42Å
35	I	51.5	Low	43.6	Very low	107 Å²	107	104.9 Å²	104.9	55%	0.549	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-38.3	174.3	-68.9	165.8	0	0	0	111.3	C31 C32 I33 R39	C31-I35 WeakPolarHBondContact O-CB 3.09Å; C31-I35 VanDerWaalsContact O-CG1 3.28Å; C31-I35 WeakPolarHBondContact O-CG1 3.35Å; C31-I35 PolarHBondContact O-N 3.1Å; C32-I35 PolarHBondContact O-N 2.96Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 3.34Å; I35-R39 WeakPolarHBondContact O-CB 3.21Å; I35-R39 PolarHBondContact O-N 3.32Å
36	Q	51.3	Low	44.2	Very low	121 Å²	121	98.7 Å²	98.7	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-66	-42.3	175.6	-76.2	179.8	-7.6	0	0	112.6	C32 I33 R39 K40	C32-Q36 WeakPolarHBondContact O-CG 3.31Å; C32-Q36 PolarHBondContact O-N 3.05Å; I33-Q36 PolarHBondContact O-N 2.99Å; I33-Q36 VanDerWaalsContact O-N 3.13Å; Q36-R39 PolarHBondContact O-N 3.01Å; Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 3.49Å
37	E	53.8	Low	44.8	Very low	92 Å²	92	100.7 Å²	100.7	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-69.1	-38.7	177.2	-65.4	-51.6	135.9	0	0	112.6	I33 F34 R39 K40 C41	I33-E37 HydrophobicContact CG2-CG 4.5Å; I33-E37 PolarHBondContact O-N 3.44Å; F34-E37 PolarHBondContact O-N 2.99Å; E37-R39 VanDerWaalsContact C-N 3.27Å; E37-R39 PolarHBondContact O-N 3.23Å; E37-K40 PolarHBondContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 3.4Å; E37-K40 PolarHBondContact OE1-NZ 3.18Å; E37-K40 WeakPolarHBondContact OE2-CD 3.41Å; E37-K40 IonicContact OE2-NZ 3.55Å; E37-C41 WeakPolarHBondContact O-CB 3.48Å; E37-C41 PolarHBondContact O-N 2.68Å
38	I	51.9	Low	44.9	Very low	101 Å²	101	100.2 Å²	100.2	52%	0.518	51%	0.512	S	S	.	.	H	α-helix	trans	-57.9	-42.8	170.7	-72.2	168.1	0	0	0	110.6	F34 C41 Y42	F34-I38 HydrophobicContact CD1-CD1 3.65Å; F34-I38 HydrophobicContact CD1-CG1 4.45Å; F34-I38 HydrophobicContact CE1-CD1 3.74Å; F34-I38 VanDerWaalsContact O-CG1 3.3Å; F34-I38 WeakPolarHBondContact O-CG1 3.12Å; F34-I38 PolarHBondContact O-N 2.61Å; I38-C41 PolarHBondContact O-N 3.28Å; I38-Y42 PolarHBondContact O-N 3.35Å
39	R	54	Low	44.9	Very low	168 Å²	168	104.1 Å²	104.1	63%	0.634	53%	0.528	S	S	*	.	H	α-helix	trans	-66	-44.7	179.6	-170.7	174	-177.1	152.7	5	112.4	I35 Q36 E37 C41 Y42 E43	I35-R39 WeakPolarHBondContact O-CB 3.21Å; I35-R39 PolarHBondContact O-N 3.32Å; Q36-R39 PolarHBondContact O-N 3.01Å; E37-R39 VanDerWaalsContact C-N 3.27Å; E37-R39 PolarHBondContact O-N 3.23Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 3.25Å; R39-Y42 PolarHBondContact O-N 2.88Å; R39-E43 WeakPolarHBondContact CG-OE1 3.11Å; R39-E43 IonicContact NE-OE1 3.95Å; R39-E43 PolarHBondContact NE-OE1 2.88Å; R39-E43 WeakPolarHBondContact O-CG 3.27Å; R39-E43 PolarHBondContact O-N 3.45Å
40	K	51.3	Low	44.4	Very low	105 Å²	105	103.6 Å²	103.6	46%	0.457	53%	0.527	S	S	.	.	H	α-helix	trans	-57.5	-46.1	172.1	-72.4	171.3	-178.3	173.8	0	111.7	Q36 E37 Y42 E43 Q44	Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 3.49Å; E37-K40 PolarHBondContact O-N 3.11Å; E37-K40 IonicContact OE1-NZ 3.4Å; E37-K40 PolarHBondContact OE1-NZ 3.18Å; E37-K40 WeakPolarHBondContact OE2-CD 3.41Å; E37-K40 IonicContact OE2-NZ 3.55Å; K40-Y42 VanDerWaalsContact C-N 3.34Å; K40-Y42 PolarHBondContact O-N 2.65Å; K40-E43 PolarHBondContact O-N 3.49Å; K40-Q44 PolarHBondContact O-N 3.24Å
41	C	42.4	Very low	43.9	Very low	57 Å²	57	106 Å²	106	39%	0.385	54%	0.537	S	S	.	.	H	α-helix	trans	-61	-43.8	178.9	-168.9	0	0	0	0	111.2	E37 I38 R39 Q44 T45	E37-C41 WeakPolarHBondContact O-CB 3.48Å; E37-C41 PolarHBondContact O-N 2.68Å; I38-C41 PolarHBondContact O-N 3.28Å; R39-C41 VanDerWaalsContact C-N 3.34Å; R39-C41 PolarHBondContact O-N 3.25Å; C41-Q44 PolarHBondContact O-N 3.44Å; C41-T45 PolarHBondContact O-N 2.04Å; C41-T45 PolarHBondContact O-OG1 3.17Å
42	Y	49.9	Very low	43.4	Very low	175 Å²	175	110.7 Å²	110.7	69%	0.686	56%	0.558	S	S	*	*	H	α-helix	trans	-62.3	-41.7	175.2	-172.8	-95	0	0	0	112.5	I38 R39 K40 Q44 T45 S46	I38-Y42 PolarHBondContact O-N 3.35Å; R39-Y42 PolarHBondContact O-N 2.88Å; K40-Y42 VanDerWaalsContact C-N 3.34Å; K40-Y42 PolarHBondContact O-N 2.65Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.09Å; Y42-T45 PolarHBondContact O-N 3.06Å; Y42-S46 PolarHBondContact O-N 3.47Å; Y42-S46 PolarHBondContact O-OG 2.96Å
43	E	48.2	Very low	42.7	Very low	85 Å²	85	115.1 Å²	115.1	40%	0.397	58%	0.578	S	S	.	*	H	α-helix	trans	-69.6	-24.5	177.2	-72.3	174.4	-160.2	0	0	113.7	R39 K40 S46 K47	R39-E43 WeakPolarHBondContact CG-OE1 3.11Å; R39-E43 IonicContact NE-OE1 3.95Å; R39-E43 PolarHBondContact NE-OE1 2.88Å; R39-E43 WeakPolarHBondContact O-CG 3.27Å; R39-E43 PolarHBondContact O-N 3.45Å; K40-E43 PolarHBondContact O-N 3.49Å; E43-S46 PolarHBondContact O-OG 3.35Å; E43-K47 WeakPolarHBondContact O-CD 3.42Å; E43-K47 VanDerWaalsContact O-CG 3.31Å; E43-K47 WeakPolarHBondContact O-CG 3.28Å; E43-K47 PolarHBondContact O-N 3.14Å
44	Q	45.6	Very low	41.8	Very low	123 Å²	123	116 Å²	116	58%	0.575	59%	0.587	S	S	*	*	H	α-helix	trans	-77.1	-44.5	168.4	-72.3	178.8	-71.7	0	0	111.4	K40 C41 Y42 S46 K47 S48	K40-Q44 PolarHBondContact O-N 3.24Å; C41-Q44 PolarHBondContact O-N 3.44Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-Q44 PolarHBondContact O-N 3.09Å; Q44-S46 VanDerWaalsContact C-N 3.35Å; Q44-S46 PolarHBondContact O-N 3.45Å; Q44-K47 PolarHBondContact O-N 2.99Å; Q44-S48 PolarHBondContact O-N 2.95Å; Q44-S48 VanDerWaalsContact O-N 3.09Å; Q44-S48 PolarHBondContact O-OG 3.03Å
45	T	41.4	Very low	41.2	Very low	69 Å²	69	119.5 Å²	119.5	42%	0.423	61%	0.61	S	S	.	*	H	α-helix	trans	-61	-42.5	178.3	-50.2	0	0	0	0	111.6	C41 Y42 S48 L49	C41-T45 PolarHBondContact O-N 2.04Å; C41-T45 PolarHBondContact O-OG1 3.17Å; Y42-T45 PolarHBondContact O-N 3.06Å; T45-S48 WeakPolarHBondContact CA-OG 3.47Å; T45-S48 PolarHBondContact O-N 3.45Å; T45-S48 PolarHBondContact O-OG 3.05Å; T45-L49 PolarHBondContact O-N 2.86Å
46	S	41.8	Very low	39.9	Very low	55 Å²	55	122.7 Å²	122.7	39%	0.385	62%	0.622	S	S	.	*	H	α-helix	trans	-68	-35.3	178.6	63.8	0	0	0	0	113.4	Y42 E43 Q44 S48 L49	Y42-S46 PolarHBondContact O-N 3.47Å; Y42-S46 PolarHBondContact O-OG 2.96Å; E43-S46 PolarHBondContact O-OG 3.35Å; Q44-S46 VanDerWaalsContact C-N 3.35Å; Q44-S46 PolarHBondContact O-N 3.45Å; S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 2.79Å; S46-L49 CarbonylContact O-C 3.6Å; S46-L49 VanDerWaalsContact O-C 3.31Å; S46-L49 PolarHBondContact O-N 3.23Å
47	K	41.5	Very low	38.7	Very low	162 Å²	162	123.1 Å²	123.1	70%	0.704	64%	0.638	S	S	*	*	H	α-helix	trans	-70.8	-19.1	172.4	-73.8	174.5	-177.7	170.2	0	113.7	E43 Q44	E43-K47 WeakPolarHBondContact O-CD 3.42Å; E43-K47 VanDerWaalsContact O-CG 3.31Å; E43-K47 WeakPolarHBondContact O-CG 3.28Å; E43-K47 PolarHBondContact O-N 3.14Å; Q44-K47 PolarHBondContact O-N 2.99Å
48	S	39	Very low	37.3	Very low	88 Å²	88	126.3 Å²	126.3	62%	0.615	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-7.3	170.3	64	0	0	0	0	114.3	Q44 T45 S46	Q44-S48 PolarHBondContact O-N 2.95Å; Q44-S48 VanDerWaalsContact O-N 3.09Å; Q44-S48 PolarHBondContact O-OG 3.03Å; T45-S48 WeakPolarHBondContact CA-OG 3.47Å; T45-S48 PolarHBondContact O-N 3.45Å; T45-S48 PolarHBondContact O-OG 3.05Å; S46-S48 VanDerWaalsContact C-N 3.26Å; S46-S48 PolarHBondContact O-N 2.79Å
49	L	30.5	Very low	36.1	Very low	142 Å²	142	129.2 Å²	129.2	74%	0.743	67%	0.667	S	S	*	*	S	Bend	trans	-129.6	57	175.9	-84.1	91.2	0	0	0	111.2	T45 S46	T45-L49 PolarHBondContact O-N 2.86Å; S46-L49 CarbonylContact O-C 3.6Å; S46-L49 VanDerWaalsContact O-C 3.31Å; S46-L49 PolarHBondContact O-N 3.23Å
50	S	30	Very low	34.8	Very low	86 Å²	86	128 Å²	128	60%	0.601	67%	0.673	S	S	*	*			trans	-125.1	97.1	171.7	62.8	0	0	0	0	111.8
51	M	27.7	Very low	33.5	Very low	180 Å²	180	131.4 Å²	131.4	89%	0.887	70%	0.695	S	S	*	*			trans	34.9	109.3	156	-64.2	-177.1	172.7	0	0	118.8
52	D	27.7	Very low	32.8	Very low	161 Å²	161	136.5 Å²	136.5	86%	0.861	72%	0.719	S	S	*	*			trans	-135.5	82.6	139.3	-139.1	-16.2	0	0	0	108.7
53	N	27.1	Very low	31.8	Very low	155 Å²	155	136 Å²	136	83%	0.829	72%	0.723	S	S	*	*			trans	-115.4	38.4	-165.5	-153.6	32.8	0	0	0	112.7
54	T	27.7	Very low	30.8	Very low	109 Å²	109	138.8 Å²	138.8	67%	0.669	74%	0.74	S	S	*	*			trans	-156.7	105.6	168.2	33.5	0	0	0	0	110.9
55	N	29.9	Very low	30.1	Very low	168 Å²	168	140 Å²	140	90%	0.898	75%	0.75	S	S	*	*				177.5	140.2	123.7	-90.1	-38.9	0	0	0	112
56	H	24.7	Very low	29.5	Very low	174 Å²	174	143 Å²	143	81%	0.806	77%	0.769	S	S	*	*			trans	-73.9	139.9	172.1	-84.1	-85.7	0	0	0	111.7
57	C	25.9	Very low	28.7	Very low	131 Å²	131	146.6 Å²	146.6	89%	0.885	79%	0.789	S	S	*	*			trans	-154.2	146.7	130.1	-113.9	0	0	0	0	111.8
58	H	24.5	Very low	28.2	Very low	159 Å²	159	146.5 Å²	146.5	74%	0.736	79%	0.79	S	S	*	*			trans	-83.7	139.7	180	-79.1	-115.3	0	0	0	111.7
59	I	26.9	Very low	27.6	Very low	162 Å²	162	148.5 Å²	148.5	83%	0.831	79%	0.794	S	S	*	*			trans	-130.6	119.8	148.5	-63.6	-178.1	0	0	0	107.6
60	N	27.2	Very low	27.5	Very low	143 Å²	143	150.3 Å²	150.3	77%	0.765	80%	0.803	S	S	*	*			trans	-75.8	121.6	173.7	-85.5	-18.1	0	0	0	110	N62	N60-N62 PolarHBondContact O-N 2.82Å
61	L	23.6	Very low	27.4	Very low	176 Å²	176	153.3 Å²	153.3	92%	0.921	82%	0.818	S	S	*	*			trans	-80.8	100.3	160.8	-83.7	166.2	0	0	0	109
62	N	28.5	Very low	27.4	Very low	164 Å²	164	148 Å²	148	88%	0.877	81%	0.81	S	S	*	*			trans	-97.4	137.6	169	-138.8	4.9	0	0	0	109.6	N60	N60-N62 PolarHBondContact O-N 2.82Å
63	Q	27.7	Very low	27.5	Very low	165 Å²	165	145.9 Å²	145.9	77%	0.771	81%	0.808	S	S	*	*			trans	-84.9	170.8	-170.9	-66.9	173.7	-40.1	0	0	113
64	N	27.7	Very low	27.6	Very low	142 Å²	142	146.7 Å²	146.7	76%	0.759	81%	0.811	S	S	*	*			trans	79.1	109.4	173.9	-45.7	-35.7	0	0	0	114.2
65	N	30.3	Very low	27.7	Very low	148 Å²	148	149.5 Å²	149.5	79%	0.791	81%	0.813	S	S	*	*				-167.5	169.1	70.1	-97.2	-39.4	0	0	0	115.2
66	T	29.4	Very low	27.6	Very low	132 Å²	132	148.7 Å²	148.7	81%	0.81	81%	0.814	S	S	*	*			trans	56.2	90.9	156.5	47.9	0	0	0	0	119.1
67	V	25.8	Very low	27.8	Very low	132 Å²	132	146.7 Å²	146.7	80%	0.8	81%	0.809	S	S	*	*			trans	-64.8	137.2	147.2	169.9	0	0	0	0	109.9
68	H	29.7	Very low	28	Very low	159 Å²	159	150.6 Å²	150.6	74%	0.736	81%	0.811	S	S	*	*			trans	-174.3	147.1	133.7	-110.5	-76	0	0	0	114
69	N	28.2	Very low	28.3	Very low	131 Å²	131	151.1 Å²	151.1	70%	0.701	81%	0.814	S	S	*	*			trans	58.1	108.8	155.3	-56.2	-16.4	0	0	0	119.8
70	L	27.8	Very low	28.4	Very low	179 Å²	179	149.3 Å²	149.3	94%	0.937	81%	0.806	S	S	*	*				-176.7	75.7	118.1	-99.4	163.5	0	0	0	112.8
71	T	27.4	Very low	28.8	Very low	149 Å²	149	148.7 Å²	148.7	91%	0.914	81%	0.813	S	S	*	*			trans	-137.1	132.8	159.7	45.6	0	0	0	0	109
72	G	28.7	Very low	29.2	Very low	70 Å²	70	143.8 Å²	143.8	72%	0.722	81%	0.805	S	S	*	*			trans	177.1	143.1	-177.8	0	0	0	0	0	114.4
73	S	29	Very low	29.2	Very low	116 Å²	116	147.6 Å²	147.6	81%	0.811	81%	0.807	S	S	*	*			trans	67.8	137.4	-167	-51.1	0	0	0	0	113.1
74	I	29.7	Very low	29.5	Very low	172 Å²	172	144.3 Å²	144.3	88%	0.882	80%	0.802	S	S	*	*			cis	-115.8	152.5	24.5	-68.8	169.4	0	0	0	113.2
75	K	28.6	Very low	29.7	Very low	167 Å²	167	142.4 Å²	142.4	73%	0.726	80%	0.8	S	S	*	*			trans	-73	148.1	-165.5	-57.6	158.4	178.6	171.5	0	115.2
76	V	27.8	Very low	30	Very low	151 Å²	151	140.7 Å²	140.7	92%	0.915	80%	0.8	S	S	*	*			trans	-134.1	129.6	139.5	178.9	0	0	0	0	107.5
77	N	29.1	Very low	30.3	Very low	132 Å²	132	139.2 Å²	139.2	71%	0.706	80%	0.795	S	S	*	*			trans	-111.3	130.2	-176	-72.5	11.8	0	0	0	111.9
78	K	30.3	Very low	31	Very low	213 Å²	213	138.1 Å²	138.1	93%	0.926	79%	0.793	S	S	*	*				-177.1	147.4	124.4	-105.1	175.6	178	-176.9	0	111.8
79	E	30.6	Very low	31.5	Very low	170 Å²	170	135.7 Å²	135.7	79%	0.794	79%	0.794	S	S	*	*			trans	-134.7	151.7	-175.7	-94.1	-158.9	157.8	0	0	112.6
80	N	30.3	Very low	32.1	Very low	125 Å²	125	134.3 Å²	134.3	67%	0.668	80%	0.795	S	S	*	*			trans	64.5	145.5	140.7	-68.8	-39	0	0	0	123.6
81	S	33.8	Very low	32.7	Very low	129 Å²	129	130.6 Å²	130.6	90%	0.902	78%	0.784	S	S	*	*			trans	69.5	147.8	167.9	74.1	0	0	0	0	118.7
82	G	32.4	Very low	33.4	Very low	74 Å²	74	128.2 Å²	128.2	76%	0.763	77%	0.773	S	S	*	*			cis	168.7	139.2	-14.1	0	0	0	0	0	115.9
83	R	29.6	Very low	34.4	Very low	244 Å²	244	133.8 Å²	133.8	92%	0.921	78%	0.78	S	S	*	*			trans	63.8	129.2	151.4	-128.4	-179.1	-173.4	162.1	1	123
84	S	32.3	Very low	35.4	Very low	95 Å²	95	133.4 Å²	133.4	66%	0.664	78%	0.775	S	S	*	*			trans	76	112.5	135.8	47.9	0	0	0	0	125.9
85	S	32.8	Very low	36.4	Very low	103 Å²	103	131.1 Å²	131.1	72%	0.72	77%	0.771	S	S	*	*				79.9	143.5	120.3	65.1	0	0	0	0	126.4
86	S	36	Very low	37.6	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	77%	0.773	S	S	*	*			trans	70.5	150.1	149.3	40	0	0	0	0	120.9
87	S	37.1	Very low	38.6	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	77%	0.766	S	S	*	*			cis	-173.4	174.4	-15.3	52.8	0	0	0	0	112.7
88	S	40.3	Very low	39.3	Very low	109 Å²	109	126 Å²	126	76%	0.762	77%	0.769	S	S	*	*			trans	64.3	145.6	160.8	42.5	0	0	0	0	119.3
89	S	40.7	Very low	40	Very low	109 Å²	109	120.8 Å²	120.8	76%	0.762	76%	0.758	S	S	*	*			cis	-162.4	-157.2	-12.3	56.8	0	0	0	0	107.4
90	S	40.4	Very low	40.9	Very low	101 Å²	101	117.5 Å²	117.5	71%	0.706	76%	0.755	S	S	*	*			cis	-176.7	158	-4.1	24.9	0	0	0	0	107.2
91	S	40	Very low	41.6	Very low	101 Å²	101	116.7 Å²	116.7	71%	0.706	76%	0.758	S	S	*	*			cis	-175.6	164.1	-22	54.4	0	0	0	0	110.5
92	S	42.3	Very low	42.6	Very low	99 Å²	99	116.2 Å²	116.2	69%	0.692	75%	0.752	S	S	*	*			trans	62.7	142.1	149.4	52.5	0	0	0	0	122.7
93	Q	48.9	Very low	43.8	Very low	187 Å²	187	118.1 Å²	118.1	87%	0.874	75%	0.751	S	S	*	*			cis	-160.1	162.1	-10.6	-115.1	-179.8	-29.9	0	0	112
94	P	50.4	Low	44.9	Very low	109 Å²	109	112.1 Å²	112.1	71%	0.708	74%	0.744	S	S	*	*			trans	-106.8	176.8	-172.5	42.2	-35.5	0	0	0	115.1
95	P	51.2	Low	46.2	Very low	123 Å²	123	113 Å²	113	80%	0.799	75%	0.747	S	S	*	*				-143.4	166.1	118.5	37.6	-23.3	0	0	0	116.8
96	P	53	Low	47.3	Very low	118 Å²	118	113.6 Å²	113.6	77%	0.766	75%	0.749	S	S	*	*			trans	-120.4	-150.7	179.1	47.1	-34.1	0	0	0	111.3
97	P	49.8	Very low	47.7	Very low	118 Å²	118	113.8 Å²	113.8	77%	0.766	75%	0.748	S	S	*	*			cis	-139.4	168.6	-11.4	41	-23.9	0	0	0	117.5
98	S	42.8	Very low	47.8	Very low	108 Å²	108	115.1 Å²	115.1	76%	0.755	76%	0.757	S	S	*	*			trans	-177.3	149.1	132.3	61.6	0	0	0	0	116.2
99	S	45.4	Very low	47.6	Very low	102 Å²	102	115 Å²	115	71%	0.713	76%	0.756	S	S	*	*			trans	64.4	117.3	149	57.5	0	0	0	0	124.4
100	S	48.9	Very low	47.5	Very low	102 Å²	102	114.6 Å²	114.6	71%	0.713	75%	0.753	S	S	*	*			trans	66.6	103.5	135.5	60.8	0	0	0	0	123.9
101	S	45	Very low	47.3	Very low	107 Å²	107	115.1 Å²	115.1	75%	0.748	76%	0.757	S	S	*	*				43.7	145.2	121.5	63.3	0	0	0	0	122
102	P	54.5	Low	47.3	Very low	120 Å²	120	114.5 Å²	114.5	78%	0.779	75%	0.75	S	S	*	*			cis	-135.8	-135.9	38.1	40	-16.6	0	0	0	114.9
103	P	57.9	Low	47.4	Very low	113 Å²	113	116.3 Å²	116.3	73%	0.734	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-90.7	168.2	-138.6	4.4	20.3	0	0	0	114.5
104	P	53.2	Low	47	Very low	118 Å²	118	114.7 Å²	114.7	77%	0.766	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70.7	150.8	-174.8	29.7	-36.3	0	0	0	113.6
105	P	59.4	Low	47.1	Very low	113 Å²	113	116.5 Å²	116.5	73%	0.734	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-69	155.2	173.5	30.5	-35.5	0	0	0	112.1
106	P	56.2	Low	47.6	Very low	116 Å²	116	114.7 Å²	114.7	75%	0.753	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-65.6	156.6	175.1	29	-35.5	0	0	0	111.9
107	P	45.4	Very low	48.6	Very low	116 Å²	116	113.4 Å²	113.4	75%	0.753	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-66.1	142.9	-175.3	27.5	-35.6	0	0	0	112.5	S109	P107-S109 PolarHBondContact O-N 2.8Å
108	S	37.2	Very low	50	Low	128 Å²	128	110.9 Å²	110.9	90%	0.895	69%	0.69	S	S	*	*			trans	-70.4	86.8	175.5	55.2	0	0	0	0	111.4	S110	S108-S110 PolarHBondContact O-N 3.45Å
109	S	38	Very low	51.6	Low	107 Å²	107	108.5 Å²	108.5	75%	0.748	67%	0.673	S	S	*	*			trans	-82.6	112.8	-178.9	47.1	0	0	0	0	113.1	P107	P107-S109 PolarHBondContact O-N 2.8Å
110	S	37.8	Very low	53.4	Low	100 Å²	100	107.9 Å²	107.9	70%	0.699	67%	0.665	S	S	*	*			trans	-40.1	124.3	168.9	52.1	0	0	0	0	116.4	S108	S108-S110 PolarHBondContact O-N 3.45Å
111	S	37	Very low	55	Low	112 Å²	112	104.6 Å²	104.6	78%	0.783	64%	0.639	S	S	*	*			trans	33.4	87.4	136.7	63	0	0	0	0	120.1
112	P	39.8	Very low	56.9	Low	89 Å²	89	102.4 Å²	102.4	58%	0.578	62%	0.618	S	S	*	*			trans	-94.9	-39.2	161.4	-9.5	28.4	0	0	0	113.7	K114 H115	P112-K114 PolarHBondContact O-N 2.67Å; P112-H115 PolarHBondContact O-N 2.81Å; P112-H115 VanDerWaalsContact O-N 3.08Å
113	L	42.9	Very low	58.3	Low	136 Å²	136	102.3 Å²	102.3	71%	0.712	61%	0.611	S	S	*	*	H	α-helix	trans	-56.4	-15.8	-158.5	-73	167.2	0	0	0	118	N117	L113-N117 PolarHBondContact O-ND2 3.26Å
114	K	41.8	Very low	59.6	Low	154 Å²	154	100.5 Å²	100.5	67%	0.67	60%	0.595	S	S	*	*	H	α-helix	trans	-79.3	-26.3	178.9	-161.5	171.4	-174.2	176.3	0	112.7	P112	P112-K114 PolarHBondContact O-N 2.67Å
115	H	52.5	Low	61.3	Low	147 Å²	147	95.2 Å²	95.2	68%	0.681	56%	0.56	S	S	*	*	H	α-helix	trans	-81	-36.2	-176	-133.9	-67.4	0	0	0	112.5	P112 I118 S119	P112-H115 PolarHBondContact O-N 2.81Å; P112-H115 VanDerWaalsContact O-N 3.08Å; H115-I118 PolarHBondContact O-N 3.05Å; H115-S119 PolarHBondContact O-N 3.27Å; H115-S119 VanDerWaalsContact O-N 3.12Å; H115-S119 PolarHBondContact O-OG 3.22Å
116	D	61.5	Low	62.6	Low	85 Å²	85	93.3 Å²	93.3	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-68.2	-41.5	-177.9	-56.6	-42.9	0	0	0	112.4	I118 S119 V120	D116-I118 VanDerWaalsContact C-N 3.27Å; D116-I118 PolarHBondContact O-N 3.4Å; D116-S119 PolarHBondContact O-N 2.83Å; D116-S119 PolarHBondContact O-OG 3.49Å; D116-V120 WeakPolarHBondContact O-CB 3.16Å; D116-V120 VanDerWaalsContact O-CG2 3.27Å; D116-V120 WeakPolarHBondContact O-CG2 3.3Å; D116-V120 PolarHBondContact O-N 3.07Å
117	N	74.1	Confident	64.1	Low	91 Å²	91	93 Å²	93	49%	0.487	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-34.2	176.9	-79.5	-37.9	0	0	0	112.5	L113 I121	L113-N117 PolarHBondContact O-ND2 3.26Å; N117-I121 WeakPolarHBondContact O-CB 3.43Å; N117-I121 WeakPolarHBondContact O-CD1 3.06Å; N117-I121 WeakPolarHBondContact O-CG1 3.09Å; N117-I121 PolarHBondContact O-N 3.37Å
118	I	77.6	Confident	66.1	Low	64 Å²	64	92.8 Å²	92.8	33%	0.328	51%	0.514	S	S	.	.	H	α-helix	trans	-72.8	-45.8	177.5	-68.3	174.6	0	0	0	110.6	H115 D116 I121 I122 L644	H115-I118 PolarHBondContact O-N 3.05Å; D116-I118 VanDerWaalsContact C-N 3.27Å; D116-I118 PolarHBondContact O-N 3.4Å; I118-I121 PolarHBondContact O-N 2.9Å; I118-I122 HydrophobicContact CG2-CD1 3.87Å; I118-I122 WeakPolarHBondContact O-CG1 3.18Å; I118-I122 PolarHBondContact O-N 3.37Å; I118-I122 VanDerWaalsContact O-N 3.15Å; I118-L644 HydrophobicContact CB-CD2 4.36Å; I118-L644 HydrophobicContact CG1-CD2 4.13Å; I118-L644 HydrophobicContact CG2-CD2 3.96Å
119	S	78.1	Confident	68.6	Low	59 Å²	59	88 Å²	88	41%	0.413	48%	0.477	S	S	.	.	H	α-helix	trans	-66	-39.9	-179.7	64.4	0	0	0	0	112.2	H115 D116 I122 L123	H115-S119 PolarHBondContact O-N 3.27Å; H115-S119 VanDerWaalsContact O-N 3.12Å; H115-S119 PolarHBondContact O-OG 3.22Å; D116-S119 PolarHBondContact O-N 2.83Å; D116-S119 PolarHBondContact O-OG 3.49Å; S119-I122 PolarHBondContact O-N 3.34Å; S119-L123 VanDerWaalsContact O-CB 3.24Å; S119-L123 WeakPolarHBondContact O-CB 3.45Å; S119-L123 PolarHBondContact O-N 3Å
120	V	83.1	Confident	71	Confident	89 Å²	89	84.1 Å²	84.1	54%	0.539	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176	171.2	0	0	0	0	112	D116 I122 L123 D124	D116-V120 WeakPolarHBondContact O-CB 3.16Å; D116-V120 VanDerWaalsContact O-CG2 3.27Å; D116-V120 WeakPolarHBondContact O-CG2 3.3Å; D116-V120 PolarHBondContact O-N 3.07Å; V120-I122 VanDerWaalsContact C-N 3.33Å; V120-I122 PolarHBondContact O-N 2.8Å; V120-L123 PolarHBondContact O-N 2.87Å; V120-D124 PolarHBondContact O-N 3.15Å
121	I	82.2	Confident	73.4	Confident	33 Å²	33	82 Å²	82	17%	0.169	43%	0.429	C	S	.	.	H	α-helix	trans	-59.1	-44.4	176.5	-77.5	169	0	0	0	111.5	N117 I118 E125 R643 L644	N117-I121 WeakPolarHBondContact O-CB 3.43Å; N117-I121 WeakPolarHBondContact O-CD1 3.06Å; N117-I121 WeakPolarHBondContact O-CG1 3.09Å; N117-I121 PolarHBondContact O-N 3.37Å; I118-I121 PolarHBondContact O-N 2.9Å; I121-E125 PolarHBondContact O-N 2.7Å; I121-R643 HydrophobicContact CG2-CB 3.7Å; I121-L644 HydrophobicContact CG2-CD2 4.22Å; I121-L644 HydrophobicContact CG2-CG 4.42Å
122	I	83.6	Confident	75.9	Confident	60 Å²	60	81.6 Å²	81.6	31%	0.308	42%	0.418	S	S	.	.	H	α-helix	trans	-70.4	-39.9	180	-67.3	169.1	0	0	0	110.5	I118 S119 V120 D124 L126 L644	I118-I122 HydrophobicContact CG2-CD1 3.87Å; I118-I122 WeakPolarHBondContact O-CG1 3.18Å; I118-I122 PolarHBondContact O-N 3.37Å; I118-I122 VanDerWaalsContact O-N 3.15Å; S119-I122 PolarHBondContact O-N 3.34Å; V120-I122 VanDerWaalsContact C-N 3.33Å; V120-I122 PolarHBondContact O-N 2.8Å; I122-D124 PolarHBondContact O-N 3.4Å; I122-L126 HydrophobicContact CG2-CD1 3.73Å; I122-L126 HydrophobicContact CG2-CG 4.21Å; I122-L126 VanDerWaalsContact O-CB 3.25Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 3.17Å; I122-L644 HydrophobicContact CD1-CD1 4.48Å
123	L	85.6	Confident	78.3	Confident	118 Å²	118	77.8 Å²	77.8	62%	0.618	39%	0.393	S	S	*	.	H	α-helix	trans	-65.4	-36.6	178.8	-174.5	63	0	0	0	112.7	S119 V120 K127	S119-L123 VanDerWaalsContact O-CB 3.24Å; S119-L123 WeakPolarHBondContact O-CB 3.45Å; S119-L123 PolarHBondContact O-N 3Å; V120-L123 PolarHBondContact O-N 2.87Å; L123-K127 VanDerWaalsContact O-CB 3.31Å; L123-K127 WeakPolarHBondContact O-CB 3.28Å; L123-K127 PolarHBondContact O-N 3.01Å
124	D	85.4	Confident	80.5	Confident	75 Å²	75	74.6 Å²	74.6	40%	0.401	38%	0.38	S	S	.	.	H	α-helix	trans	-66.5	-50.2	176.3	-176.8	56.1	0	0	0	112.2	V120 I122 L126 K127 R128 R643	V120-D124 PolarHBondContact O-N 3.15Å; I122-D124 PolarHBondContact O-N 3.4Å; D124-L126 PolarHBondContact O-N 3.22Å; D124-K127 PolarHBondContact O-N 2.89Å; D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 2.94Å; D124-R643 IonicContact OD2-CZ 2.83Å; D124-R643 VanDerWaalsContact OD2-CZ 3.3Å; D124-R643 IonicContact OD2-NH1 3.55Å; D124-R643 PolarHBondContact OD2-NH1 2.92Å; D124-R643 IonicContact OD2-NH2 3Å; D124-R643 PolarHBondContact OD2-NH2 3.33Å
125	E	87.3	Confident	82.8	Confident	7 Å²	7	68.7 Å²	68.7	3%	0.033	36%	0.355	C	S	.	.	H	α-helix	trans	-69	-31.9	176.6	-70.8	-67.1	162	0	0	112.1	I121 R128 F129 L636 R639 R643	I121-E125 PolarHBondContact O-N 2.7Å; E125-R128 PolarHBondContact O-N 3.3Å; E125-R128 IonicContact OE1-NH1 2.79Å; E125-R128 PolarHBondContact OE1-NH1 3.39Å; E125-R128 WeakPolarHBondContact OE2-CD 3.37Å; E125-R128 IonicContact OE2-NH1 2.97Å; E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.48Å; E125-F129 PolarHBondContact O-N 3.13Å; E125-L636 HydrophobicContact CB-CD1 3.98Å; E125-R639 HydrophobicContact CG-CB 4.33Å; E125-R639 IonicContact OE2-NH1 2.72Å; E125-R643 IonicContact OE1-CZ 3.45Å; E125-R643 IonicContact OE1-NE 3.67Å; E125-R643 PolarHBondContact OE1-NE 3.15Å; E125-R643 IonicContact OE1-NH1 3.27Å; E125-R643 IonicContact OE1-NH2 2.69Å; E125-R643 PolarHBondContact OE1-NH2 2.88Å
126	L	87.7	Confident	84.4	Confident	73 Å²	73	68.3 Å²	68.3	38%	0.382	35%	0.347	S	S	.	.	H	α-helix	trans	-63.6	-43.5	170.2	-80.5	173.1	0	0	0	112.2	I122 D124 R128 F129 C130 L636	I122-L126 HydrophobicContact CG2-CD1 3.73Å; I122-L126 HydrophobicContact CG2-CG 4.21Å; I122-L126 VanDerWaalsContact O-CB 3.25Å; I122-L126 WeakPolarHBondContact O-CB 3.42Å; I122-L126 VanDerWaalsContact O-CG 3.26Å; I122-L126 WeakPolarHBondContact O-CG 3.43Å; I122-L126 PolarHBondContact O-N 3.17Å; D124-L126 PolarHBondContact O-N 3.22Å; L126-R128 VanDerWaalsContact C-N 3.35Å; L126-F129 PolarHBondContact O-N 2.92Å; L126-C130 WeakPolarHBondContact O-CB 3.33Å; L126-C130 PolarHBondContact O-N 2.95Å; L126-C130 PolarHBondContact O-SG 3.38Å; L126-L636 HydrophobicContact CD2-CD2 3.9Å
127	K	87.1	Confident	85.7	Confident	109 Å²	109	64.9 Å²	64.9	47%	0.474	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-46.7	174.7	-178.8	178.2	179.9	-76.2	0	110.4	L123 D124 F129 C130 E131	L123-K127 VanDerWaalsContact O-CB 3.31Å; L123-K127 WeakPolarHBondContact O-CB 3.28Å; L123-K127 PolarHBondContact O-N 3.01Å; D124-K127 PolarHBondContact O-N 2.89Å; K127-F129 VanDerWaalsContact C-N 3.35Å; K127-F129 PolarHBondContact O-N 2.99Å; K127-C130 PolarHBondContact O-N 3.29Å; K127-E131 WeakPolarHBondContact CE-OE1 3.48Å; K127-E131 IonicContact NZ-OE1 2.67Å; K127-E131 PolarHBondContact NZ-OE1 3.25Å; K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 WeakPolarHBondContact O-CG 3.19Å; K127-E131 PolarHBondContact O-N 3.46Å
128	R	86.9	Confident	86.3	Confident	112 Å²	112	62.7 Å²	62.7	42%	0.423	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-38.8	177.8	-169.5	-175.4	-170.1	167.1	7.7	113	D124 E125 L126 N132 R639	D124-R128 WeakPolarHBondContact O-CB 3.46Å; D124-R128 PolarHBondContact O-N 2.94Å; E125-R128 PolarHBondContact O-N 3.3Å; E125-R128 IonicContact OE1-NH1 2.79Å; E125-R128 PolarHBondContact OE1-NH1 3.39Å; E125-R128 WeakPolarHBondContact OE2-CD 3.37Å; E125-R128 IonicContact OE2-NH1 2.97Å; L126-R128 VanDerWaalsContact C-N 3.35Å; R128-N132 PolarHBondContact O-N 3.13Å; R128-N132 PolarHBondContact O-ND2 3.27Å; R128-R639 VanDerWaalsContact NH1-NH1 3.13Å
129	F	89.8	Confident	86.9	Confident	28 Å²	28	60.8 Å²	60.8	12%	0.123	31%	0.312	C	S	.	.	H	α-helix	trans	-65.2	-53.9	172.9	171.7	-93.4	0	0	0	110.8	E125 L126 K127 E131 N132 T133 I135 L138 E632 L633 L636	E125-F129 VanDerWaalsContact O-CB 3.31Å; E125-F129 WeakPolarHBondContact O-CB 3.48Å; E125-F129 PolarHBondContact O-N 3.13Å; L126-F129 PolarHBondContact O-N 2.92Å; K127-F129 VanDerWaalsContact C-N 3.35Å; K127-F129 PolarHBondContact O-N 2.99Å; F129-E131 PolarHBondContact O-N 3.39Å; F129-E131 VanDerWaalsContact O-N 3.17Å; F129-N132 PolarHBondContact O-N 3.25Å; F129-T133 HydrophobicContact CD1-CG2 4.48Å; F129-T133 HydrophobicContact CE1-CG2 4.18Å; F129-T133 HydrophobicContact CZ-CG2 4.43Å; F129-T133 WeakPolarHBondContact O-CB 3.24Å; F129-T133 WeakPolarHBondContact O-CG2 3.3Å; F129-T133 PolarHBondContact O-N 3.16Å; F129-I135 HydrophobicContact CE1-CD1 4.19Å; F129-I135 HydrophobicContact CZ-CD1 3.93Å; F129-L138 HydrophobicContact CE1-CD2 4.45Å; F129-E632 HydrophobicContact CE2-CB 3.87Å; F129-L633 HydrophobicContact CE2-CD1 4.5Å; F129-L633 HydrophobicContact CZ-CD1 4.13Å; F129-L636 HydrophobicContact CB-CD1 4.13Å; F129-L636 HydrophobicContact CB-CD2 4.21Å; F129-L636 HydrophobicContact CD1-CD2 4.15Å; F129-L636 HydrophobicContact CD2-CB 3.96Å; F129-L636 HydrophobicContact CD2-CD2 4.06Å; F129-L636 HydrophobicContact CE2-CD2 4.48Å; F129-L636 HydrophobicContact CG-CB 4.44Å; F129-L636 HydrophobicContact CG-CD2 3.88Å
130	C	88.5	Confident	87.4	Confident	26 Å²	26	65.5 Å²	65.5	18%	0.176	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-28.7	179.3	-68.3	0	0	0	0	113.2	L126 K127 L138 P139 V142	L126-C130 WeakPolarHBondContact O-CB 3.33Å; L126-C130 PolarHBondContact O-N 2.95Å; L126-C130 PolarHBondContact O-SG 3.38Å; K127-C130 PolarHBondContact O-N 3.29Å; C130-L138 HydrophobicContact CB-CD2 4.19Å; C130-L138 HydrophobicContact CB-CG 4.11Å; C130-L138 CarbonylContact O-C 3.59Å; C130-L138 VanDerWaalsContact SG-CD2 3.59Å; C130-P139 WeakPolarHBondContact O-CA 3.42Å; C130-V142 HydrophobicContact CB-CG2 3.7Å
131	E	88.5	Confident	87.7	Confident	54 Å²	54	62.2 Å²	62.2	25%	0.252	30%	0.3	S	S	.	.	H	α-helix	trans	-72.8	-24.2	174.4	-78.8	173.8	-174.1	0	0	114	K127 F129 V142 R143	K127-E131 WeakPolarHBondContact CE-OE1 3.48Å; K127-E131 IonicContact NZ-OE1 2.67Å; K127-E131 PolarHBondContact NZ-OE1 3.25Å; K127-E131 WeakPolarHBondContact O-CB 3.26Å; K127-E131 WeakPolarHBondContact O-CG 3.19Å; K127-E131 PolarHBondContact O-N 3.46Å; F129-E131 PolarHBondContact O-N 3.39Å; F129-E131 VanDerWaalsContact O-N 3.17Å; E131-V142 HydrophobicContact CG-CB 4.17Å; E131-V142 HydrophobicContact CG-CG1 3.57Å; E131-R143 VanDerWaalsContact O-CZ 3.28Å; E131-R143 PolarHBondContact O-NE 2.93Å; E131-R143 PolarHBondContact O-NH2 3.46Å
132	N	89	Confident	88	Confident	105 Å²	105	63.1 Å²	63.1	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-127	-10.3	-167	-64.7	-62.2	0	0	0	115.7	R128 F129	R128-N132 PolarHBondContact O-N 3.13Å; R128-N132 PolarHBondContact O-ND2 3.27Å; F129-N132 PolarHBondContact O-N 3.25Å
133	T	90.5	Very high	88.2	Confident	9 Å²	9	68 Å²	68	6%	0.055	32%	0.322	C	S	.	.			trans	-64.1	151.6	-177.5	179.6	0	0	0	0	114	F129 I135 L138 P139 E632	F129-T133 HydrophobicContact CD1-CG2 4.48Å; F129-T133 HydrophobicContact CE1-CG2 4.18Å; F129-T133 HydrophobicContact CZ-CG2 4.43Å; F129-T133 WeakPolarHBondContact O-CB 3.24Å; F129-T133 WeakPolarHBondContact O-CG2 3.3Å; F129-T133 PolarHBondContact O-N 3.16Å; T133-I135 HydrophobicContact CG2-CB 3.87Å; T133-I135 HydrophobicContact CG2-CG1 4.46Å; T133-I135 PolarHBondContact O-N 3.32Å; T133-I135 WeakPolarHBondContact OG1-CG1 3.32Å; T133-I135 PolarHBondContact OG1-N 2.63Å; T133-I135 VanDerWaalsContact OG1-N 3.14Å; T133-L138 HydrophobicContact CG2-CB 4.31Å; T133-L138 HydrophobicContact CG2-CD2 4.08Å; T133-P139 HydrophobicContact CG2-CG 4.24Å; T133-P139 VanDerWaalsContact O-CG 3.31Å; T133-P139 WeakPolarHBondContact O-CG 3.22Å; T133-E632 WeakPolarHBondContact CA-OE2 3.38Å; T133-E632 WeakPolarHBondContact CB-OE2 3.38Å; T133-E632 PolarHBondContact OG1-OE2 3.12Å
134	T	89	Confident	88.2	Confident	69 Å²	69	63.3 Å²	63.3	42%	0.423	30%	0.3	S	S	.	.	S	Bend	trans	-71.1	-12.2	168.8	49.6	0	0	0	0	114.2	R136 S629 E632	T134-R136 PolarHBondContact O-N 2.72Å; T134-S629 WeakPolarHBondContact OG1-CB 3.1Å; T134-S629 PolarHBondContact OG1-OG 3.28Å; T134-E632 VanDerWaalsContact CB-OE1 3.26Å; T134-E632 WeakPolarHBondContact CB-OE1 3.43Å; T134-E632 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E632 PolarHBondContact N-OE1 3.32Å; T134-E632 PolarHBondContact N-OE2 3.49Å; T134-E632 VanDerWaalsContact OG1-CD 3.29Å; T134-E632 PolarHBondContact OG1-OE1 3.44Å; T134-E632 PolarHBondContact OG1-OE2 2.89Å
135	I	89.7	Confident	88.1	Confident	30 Å²	30	69.4 Å²	69.4	15%	0.154	33%	0.326	C	S	.	.	S	Bend	trans	-56.6	123.3	174.1	-66.4	170.7	0	0	0	109.6	F129 T133 L138 P139 I623 L625	F129-I135 HydrophobicContact CE1-CD1 4.19Å; F129-I135 HydrophobicContact CZ-CD1 3.93Å; T133-I135 HydrophobicContact CG2-CB 3.87Å; T133-I135 HydrophobicContact CG2-CG1 4.46Å; T133-I135 PolarHBondContact O-N 3.32Å; T133-I135 WeakPolarHBondContact OG1-CG1 3.32Å; T133-I135 PolarHBondContact OG1-N 2.63Å; T133-I135 VanDerWaalsContact OG1-N 3.14Å; I135-L138 HydrophobicContact CG2-CB 4.11Å; I135-L138 HydrophobicContact CG2-CD2 4.42Å; I135-P139 WeakPolarHBondContact O-CD 3.11Å; I135-I623 HydrophobicContact CG2-CG2 3.97Å; I135-L625 HydrophobicContact CD1-CD2 3.93Å; I135-L625 HydrophobicContact CG1-CD2 3.79Å; I135-L625 HydrophobicContact CG1-CG 4.36Å
136	R	87.8	Confident	88.1	Confident	138 Å²	138	72.9 Å²	72.9	52%	0.521	34%	0.344	S	S	.	.	S	Bend	trans	-69.6	145.7	-172.5	-68.3	177.6	-167.9	141.4	12.8	111.2	T134 L138 S620 I621 I623	T134-R136 PolarHBondContact O-N 2.72Å; R136-L138 PolarHBondContact O-N 3.38Å; R136-S620 VanDerWaalsContact CZ-O 3.27Å; R136-S620 PolarHBondContact NH1-O 3.02Å; R136-S620 PolarHBondContact NH2-O 2.98Å; R136-I621 PolarHBondContact NH1-O 3.32Å; R136-I621 VanDerWaalsContact NH1-O 3.13Å; R136-I623 WeakPolarHBondContact CB-O 3.21Å; R136-I623 PolarHBondContact N-O 3.28Å
137	G	87.1	Confident	88.1	Confident	14 Å²	14	80 Å²	80	14%	0.144	37%	0.366	C	S	.	.	S	Bend	trans	75	-32.4	179.8	0	0	0	0	0	115.2	R140 I141	G137-R140 CarbonylContact O-C 3.6Å; G137-R140 WeakPolarHBondContact O-CA 3.5Å; G137-R140 WeakPolarHBondContact O-CB 3.41Å; G137-R140 PolarHBondContact O-N 3.15Å; G137-I141 PolarHBondContact O-N 3.41Å
138	L	88.6	Confident	88.3	Confident	45 Å²	45	83.9 Å²	83.9	24%	0.236	38%	0.379	C	S	.	.	H	α-helix	trans	-60.2	-44.6	-176.2	-157.1	66.4	0	0	0	113.1	F129 C130 T133 I135 R136 R140 I141 V142	F129-L138 HydrophobicContact CE1-CD2 4.45Å; C130-L138 HydrophobicContact CB-CD2 4.19Å; C130-L138 HydrophobicContact CB-CG 4.11Å; C130-L138 CarbonylContact O-C 3.59Å; C130-L138 VanDerWaalsContact SG-CD2 3.59Å; T133-L138 HydrophobicContact CG2-CB 4.31Å; T133-L138 HydrophobicContact CG2-CD2 4.08Å; I135-L138 HydrophobicContact CG2-CB 4.11Å; I135-L138 HydrophobicContact CG2-CD2 4.42Å; R136-L138 PolarHBondContact O-N 3.38Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.36Å; L138-I141 HydrophobicContact CD1-CD1 4.48Å; L138-I141 PolarHBondContact O-N 3.07Å; L138-V142 PolarHBondContact O-N 3Å
139	P	89.4	Confident	88.3	Confident	23 Å²	23	82.9 Å²	82.9	15%	0.149	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-25.3	170.5	-23.1	34.5	0	0	0	114.2	C130 T133 I135 R143	C130-P139 WeakPolarHBondContact O-CA 3.42Å; T133-P139 HydrophobicContact CG2-CG 4.24Å; T133-P139 VanDerWaalsContact O-CG 3.31Å; T133-P139 WeakPolarHBondContact O-CG 3.22Å; I135-P139 WeakPolarHBondContact O-CD 3.11Å; P139-R143 WeakPolarHBondContact O-CB 3.38Å; P139-R143 WeakPolarHBondContact O-CD 3.32Å; P139-R143 WeakPolarHBondContact O-CG 3.2Å; P139-R143 PolarHBondContact O-N 3.5Å
140	R	88.7	Confident	88.4	Confident	159 Å²	159	88.3 Å²	88.3	60%	0.6	40%	0.401	S	S	*	.	H	α-helix	trans	-74.4	-35.9	175.5	-61.7	-64.7	-176	174.2	0.1	111.5	G137 L138 A144 W153	G137-R140 CarbonylContact O-C 3.6Å; G137-R140 WeakPolarHBondContact O-CA 3.5Å; G137-R140 WeakPolarHBondContact O-CB 3.41Å; G137-R140 PolarHBondContact O-N 3.15Å; L138-R140 VanDerWaalsContact C-N 3.26Å; L138-R140 PolarHBondContact O-N 3.36Å; R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 3.2Å; R140-A144 VanDerWaalsContact O-N 3.12Å; R140-W153 HydrophobicContact CB-CD2 3.68Å; R140-W153 HydrophobicContact CB-CE3 4.1Å; R140-W153 HydrophobicContact CB-CG 3.85Å; R140-W153 HydrophobicContact CB-CZ2 4.46Å; R140-W153 HydrophobicContact CG-CD2 4.3Å; R140-W153 HydrophobicContact CG-CE3 4.44Å; R140-W153 HydrophobicContact CG-CH2 4.46Å; R140-W153 HydrophobicContact CG-CZ2 4.3Å
141	I	90.2	Very high	88.5	Confident	20 Å²	20	89.9 Å²	89.9	10%	0.103	41%	0.413	C	S	.	.	H	α-helix	trans	-64	-43.6	175	-64.5	169.4	0	0	0	111	G137 L138 R150 W153 L154 V157	G137-I141 PolarHBondContact O-N 3.41Å; L138-I141 HydrophobicContact CD1-CD1 4.48Å; L138-I141 PolarHBondContact O-N 3.07Å; I141-R150 HydrophobicContact CG2-CG 4.18Å; I141-W153 HydrophobicContact CG1-CB 3.75Å; I141-L154 HydrophobicContact CD1-CB 4.39Å; I141-V157 HydrophobicContact CD1-CB 3.98Å; I141-V157 HydrophobicContact CD1-CG1 4.24Å; I141-V157 HydrophobicContact CD1-CG2 3.9Å
142	V	88.3	Confident	88.7	Confident	52 Å²	52	92.1 Å²	92.1	32%	0.315	43%	0.426	S	S	.	.	H	α-helix	trans	-78.9	-38.7	-177.7	-172.2	0	0	0	0	112.5	C130 E131 L138 A144	C130-V142 HydrophobicContact CB-CG2 3.7Å; E131-V142 HydrophobicContact CG-CB 4.17Å; E131-V142 HydrophobicContact CG-CG1 3.57Å; L138-V142 PolarHBondContact O-N 3Å; V142-A144 VanDerWaalsContact C-N 3.29Å; V142-A144 PolarHBondContact O-N 2.91Å
143	R	87.3	Confident	88.8	Confident	163 Å²	163	91 Å²	91	62%	0.615	41%	0.414	S	S	*	.	H	α-helix	trans	-77.9	-7.3	178.4	-60.2	172.9	-174.2	-154.4	3	113.6	E131 P139 H145	E131-R143 VanDerWaalsContact O-CZ 3.28Å; E131-R143 PolarHBondContact O-NE 2.93Å; E131-R143 PolarHBondContact O-NH2 3.46Å; P139-R143 WeakPolarHBondContact O-CB 3.38Å; P139-R143 WeakPolarHBondContact O-CD 3.32Å; P139-R143 WeakPolarHBondContact O-CG 3.2Å; P139-R143 PolarHBondContact O-N 3.5Å; R143-H145 PolarHBondContact O-N 3.33Å
144	A	85.5	Confident	88.8	Confident	19 Å²	19	94.6 Å²	94.6	16%	0.157	43%	0.432	C	S	.	.			trans	-76.3	106.5	179	0	0	0	0	0	112.6	R140 V142 L149 R150	R140-A144 WeakPolarHBondContact O-CB 3.36Å; R140-A144 PolarHBondContact O-N 3.2Å; R140-A144 VanDerWaalsContact O-N 3.12Å; V142-A144 VanDerWaalsContact C-N 3.29Å; V142-A144 PolarHBondContact O-N 2.91Å; A144-L149 HydrophobicContact CB-CB 4.46Å; A144-R150 HydrophobicContact CB-CB 3.91Å
145	H	82.2	Confident	89	Confident	203 Å²	203	95.6 Å²	95.6	94%	0.94	43%	0.434	S	S	*	.			trans	-70.3	-34.6	-179.1	-137.5	66.8	0	0	0	113.6	R143	R143-H145 PolarHBondContact O-N 3.33Å
146	N	88.8	Confident	89.2	Confident	79 Å²	79	97.6 Å²	97.6	42%	0.422	44%	0.444	S	S	.	.	S	Bend	trans	-88	129.1	-179.9	-176.6	-16.9	0	0	0	111.1	Y148 L149 R150	N146-Y148 VanDerWaalsContact C-N 3.26Å; N146-Y148 PolarHBondContact O-N 3.19Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.46Å; N146-Y148 PolarHBondContact OD1-N 3.04Å; N146-L149 HydrophobicContact CB-CB 4.49Å; N146-L149 HydrophobicContact CB-CD1 4.23Å; N146-L149 PolarHBondContact O-N 2.97Å; N146-R150 PolarHBondContact O-N 3.13Å
147	R	87.8	Confident	89.4	Confident	222 Å²	222	91.8 Å²	91.8	84%	0.838	43%	0.425	S	S	*	.	H	α-helix	trans	-51.7	-40.2	177.4	-65.8	-176.2	-178.9	-177.3	0.7	113	R150 S151	R147-R150 PolarHBondContact O-N 3.26Å; R147-S151 WeakPolarHBondContact O-CB 3.36Å; R147-S151 PolarHBondContact O-N 2.91Å
148	Y	89.5	Confident	89.7	Confident	191 Å²	191	94.4 Å²	94.4	75%	0.749	44%	0.44	S	S	*	.	H	α-helix	trans	-66.8	-45.3	-179.8	-64	-74.3	0	0	0	112.1	N146 S151 L152	N146-Y148 VanDerWaalsContact C-N 3.26Å; N146-Y148 PolarHBondContact O-N 3.19Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.46Å; N146-Y148 PolarHBondContact OD1-N 3.04Å; Y148-S151 WeakPolarHBondContact O-CB 3.44Å; Y148-S151 PolarHBondContact O-N 2.77Å; Y148-L152 PolarHBondContact O-N 3.34Å
149	L	88.8	Confident	89.9	Confident	92 Å²	92	97.3 Å²	97.3	48%	0.482	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-38.7	175.8	-85.3	71.4	0	0	0	111.5	A144 N146 S151 L152 W153	A144-L149 HydrophobicContact CB-CB 4.46Å; N146-L149 HydrophobicContact CB-CB 4.49Å; N146-L149 HydrophobicContact CB-CD1 4.23Å; N146-L149 PolarHBondContact O-N 2.97Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.1Å; L149-L152 PolarHBondContact O-N 3.37Å; L149-W153 PolarHBondContact O-N 3.31Å
150	R	90.8	Very high	90.1	Very high	141 Å²	141	98.9 Å²	98.9	53%	0.532	46%	0.461	S	S	.	.	H	α-helix	trans	-63.1	-39.2	175.2	-177.7	169.6	169.8	-174.2	-3.6	111.9	I141 A144 N146 R147 L154	I141-R150 HydrophobicContact CG2-CG 4.18Å; A144-R150 HydrophobicContact CB-CB 3.91Å; N146-R150 PolarHBondContact O-N 3.13Å; R147-R150 PolarHBondContact O-N 3.26Å; R150-L154 VanDerWaalsContact O-CB 3.28Å; R150-L154 WeakPolarHBondContact O-CB 3.49Å; R150-L154 PolarHBondContact O-N 3.39Å
151	S	90.9	Very high	90.3	Very high	60 Å²	60	94.2 Å²	94.2	42%	0.42	45%	0.447	S	S	.	.	H	α-helix	trans	-63.7	-47.2	173.5	-167.8	0	0	0	0	111.7	R147 Y148 L149 W153 L154 I155	R147-S151 WeakPolarHBondContact O-CB 3.36Å; R147-S151 PolarHBondContact O-N 2.91Å; Y148-S151 WeakPolarHBondContact O-CB 3.44Å; Y148-S151 PolarHBondContact O-N 2.77Å; L149-S151 VanDerWaalsContact C-N 3.33Å; L149-S151 PolarHBondContact O-N 3.1Å; S151-W153 PolarHBondContact O-N 3.14Å; S151-L154 PolarHBondContact O-N 2.91Å; S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 3.04Å
152	L	92.1	Very high	90.5	Very high	100 Å²	100	98.2 Å²	98.2	52%	0.524	47%	0.469	S	S	.	.	H	α-helix	trans	-57	-49.4	176.8	-175.1	160.5	0	0	0	111.8	Y148 L149 L154 I155 L156	Y148-L152 PolarHBondContact O-N 3.34Å; L149-L152 PolarHBondContact O-N 3.37Å; L152-L154 VanDerWaalsContact C-N 3.34Å; L152-L154 PolarHBondContact O-N 3.06Å; L152-I155 PolarHBondContact O-N 2.82Å; L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 2.78Å
153	W	90.9	Very high	90.8	Very high	83 Å²	83	96.3 Å²	96.3	31%	0.314	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-35.8	177.6	-75.5	115.1	0	0	0	112.9	R140 I141 L149 S151 L156 V157	R140-W153 HydrophobicContact CB-CD2 3.68Å; R140-W153 HydrophobicContact CB-CE3 4.1Å; R140-W153 HydrophobicContact CB-CG 3.85Å; R140-W153 HydrophobicContact CB-CZ2 4.46Å; R140-W153 HydrophobicContact CG-CD2 4.3Å; R140-W153 HydrophobicContact CG-CE3 4.44Å; R140-W153 HydrophobicContact CG-CH2 4.46Å; R140-W153 HydrophobicContact CG-CZ2 4.3Å; I141-W153 HydrophobicContact CG1-CB 3.75Å; L149-W153 PolarHBondContact O-N 3.31Å; S151-W153 PolarHBondContact O-N 3.14Å; W153-L156 HydrophobicContact CE3-CD2 4.32Å; W153-L156 HydrophobicContact CZ3-CD2 4.29Å; W153-V157 WeakPolarHBondContact O-CB 3.4Å; W153-V157 VanDerWaalsContact O-CG2 3.29Å; W153-V157 WeakPolarHBondContact O-CG2 3.3Å; W153-V157 PolarHBondContact O-N 3.07Å
154	L	92	Very high	91.2	Very high	83 Å²	83	88.7 Å²	88.7	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-49.2	175.6	-174.7	156.1	0	0	0	111	I141 R150 S151 L152 L156 V157 C158	I141-L154 HydrophobicContact CD1-CB 4.39Å; R150-L154 VanDerWaalsContact O-CB 3.28Å; R150-L154 WeakPolarHBondContact O-CB 3.49Å; R150-L154 PolarHBondContact O-N 3.39Å; S151-L154 PolarHBondContact O-N 2.91Å; L152-L154 VanDerWaalsContact C-N 3.34Å; L152-L154 PolarHBondContact O-N 3.06Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L154-L156 PolarHBondContact O-N 3.27Å; L154-V157 PolarHBondContact O-N 3.26Å; L154-C158 WeakPolarHBondContact O-CB 3.49Å; L154-C158 PolarHBondContact O-N 3.02Å; L154-C158 PolarHBondContact O-SG 2.76Å
155	I	93.3	Very high	91.6	Very high	90 Å²	90	94.7 Å²	94.7	46%	0.462	45%	0.454	S	S	.	.	H	α-helix	trans	-59.1	-46.7	177.6	-68.6	164.5	0	0	0	110.5	S151 L152 V157 C158 I159	S151-I155 WeakPolarHBondContact O-CG1 3.45Å; S151-I155 PolarHBondContact O-N 3.04Å; L152-I155 PolarHBondContact O-N 2.82Å; I155-V157 PolarHBondContact O-N 2.82Å; I155-C158 PolarHBondContact O-N 3.22Å; I155-I159 HydrophobicContact CG2-CD1 3.77Å; I155-I159 HydrophobicContact CG2-CG1 4.48Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.21Å; I155-I159 PolarHBondContact O-N 2.8Å
156	L	92.6	Very high	92.3	Very high	72 Å²	72	88.8 Å²	88.8	38%	0.377	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-43.4	179.1	-175.3	149.2	0	0	0	112	L152 W153 L154 I159 L160	L152-L156 WeakPolarHBondContact O-CB 3.37Å; L152-L156 PolarHBondContact O-N 2.78Å; W153-L156 HydrophobicContact CE3-CD2 4.32Å; W153-L156 HydrophobicContact CZ3-CD2 4.29Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L154-L156 PolarHBondContact O-N 3.27Å; L156-I159 PolarHBondContact O-N 3.49Å; L156-L160 HydrophobicContact CD2-CD1 3.65Å; L156-L160 HydrophobicContact CD2-CG 4.37Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 2.94Å
157	V	92.2	Very high	92.6	Very high	17 Å²	17	87 Å²	87	10%	0.103	42%	0.421	C	S	.	.	H	α-helix	trans	-66.7	-40.4	175.8	167.7	0	0	0	0	111.5	I141 W153 L154 I155 I159 L160 I161	I141-V157 HydrophobicContact CD1-CB 3.98Å; I141-V157 HydrophobicContact CD1-CG1 4.24Å; I141-V157 HydrophobicContact CD1-CG2 3.9Å; W153-V157 WeakPolarHBondContact O-CB 3.4Å; W153-V157 VanDerWaalsContact O-CG2 3.29Å; W153-V157 WeakPolarHBondContact O-CG2 3.3Å; W153-V157 PolarHBondContact O-N 3.07Å; L154-V157 PolarHBondContact O-N 3.26Å; I155-V157 PolarHBondContact O-N 2.82Å; V157-I159 PolarHBondContact O-N 2.95Å; V157-L160 PolarHBondContact O-N 3.43Å; V157-I161 HydrophobicContact CG1-CD1 3.63Å; V157-I161 HydrophobicContact CG1-CG1 4.33Å; V157-I161 WeakPolarHBondContact O-CB 3.29Å; V157-I161 VanDerWaalsContact O-CG1 3.28Å; V157-I161 WeakPolarHBondContact O-CG1 3.37Å; V157-I161 PolarHBondContact O-N 3.42Å
158	C	92.9	Very high	92.9	Very high	69 Å²	69	78.5 Å²	78.5	47%	0.466	39%	0.392	S	S	.	.	H	α-helix	trans	-62.4	-40.6	174.9	-73.1	0	0	0	0	112.4	L154 I155 I161 L162	L154-C158 WeakPolarHBondContact O-CB 3.49Å; L154-C158 PolarHBondContact O-N 3.02Å; L154-C158 PolarHBondContact O-SG 2.76Å; I155-C158 PolarHBondContact O-N 3.22Å; C158-I161 PolarHBondContact O-N 3.42Å; C158-L162 VanDerWaalsContact O-CB 3.29Å; C158-L162 WeakPolarHBondContact O-CB 3.29Å; C158-L162 PolarHBondContact O-N 3.35Å
159	I	94	Very high	93.2	Very high	105 Å²	105	75.2 Å²	75.2	54%	0.538	38%	0.382	S	S	.	.	H	α-helix	trans	-64.1	-44.6	175	-69.9	166.6	0	0	0	110.9	I155 L156 V157 L162 G163	I155-I159 HydrophobicContact CG2-CD1 3.77Å; I155-I159 HydrophobicContact CG2-CG1 4.48Å; I155-I159 VanDerWaalsContact O-CG1 3.31Å; I155-I159 WeakPolarHBondContact O-CG1 3.21Å; I155-I159 PolarHBondContact O-N 2.8Å; L156-I159 PolarHBondContact O-N 3.49Å; V157-I159 PolarHBondContact O-N 2.95Å; I159-L162 PolarHBondContact O-N 2.7Å; I159-G163 PolarHBondContact O-N 3.26Å
160	L	93.6	Very high	93.6	Very high	56 Å²	56	76.3 Å²	76.3	29%	0.293	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-40.1	178.1	-71.1	174.9	0	0	0	112.5	L156 V157 C164 W622	L156-L160 HydrophobicContact CD2-CD1 3.65Å; L156-L160 HydrophobicContact CD2-CG 4.37Å; L156-L160 WeakPolarHBondContact O-CG 3.38Å; L156-L160 PolarHBondContact O-N 2.94Å; V157-L160 PolarHBondContact O-N 3.43Å; L160-C164 WeakPolarHBondContact O-CB 3.23Å; L160-C164 PolarHBondContact O-N 3.21Å; L160-W622 HydrophobicContact CB-CE3 4.27Å; L160-W622 HydrophobicContact CD2-CE3 3.64Å; L160-W622 HydrophobicContact CD2-CZ3 3.95Å; L160-W622 VanDerWaalsContact O-CE3 3.29Å
161	I	92.4	Very high	93.8	Very high	61 Å²	61	70.1 Å²	70.1	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-43.4	175.5	-71.6	170.7	0	0	0	110.7	V157 C158 C164 F165 I623	V157-I161 HydrophobicContact CG1-CD1 3.63Å; V157-I161 HydrophobicContact CG1-CG1 4.33Å; V157-I161 WeakPolarHBondContact O-CB 3.29Å; V157-I161 VanDerWaalsContact O-CG1 3.28Å; V157-I161 WeakPolarHBondContact O-CG1 3.37Å; V157-I161 PolarHBondContact O-N 3.42Å; C158-I161 PolarHBondContact O-N 3.42Å; I161-C164 WeakPolarHBondContact O-CB 3.39Å; I161-C164 PolarHBondContact O-N 2.91Å; I161-F165 HydrophobicContact CG2-CD2 3.72Å; I161-F165 HydrophobicContact CG2-CE2 3.51Å; I161-F165 VanDerWaalsContact O-CD2 3.23Å; I161-F165 WeakPolarHBondContact O-CD2 3.23Å; I161-F165 PolarHBondContact O-N 3.21Å; I161-I623 HydrophobicContact CG1-CD1 4.25Å; I161-I623 HydrophobicContact CG1-CG1 4.29Å
162	L	95	Very high	94	Very high	105 Å²	105	69.3 Å²	69.3	55%	0.55	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-44.7	176.8	-179.4	60.9	0	0	0	111.8	C158 I159 C164 F165 I166	C158-L162 VanDerWaalsContact O-CB 3.29Å; C158-L162 WeakPolarHBondContact O-CB 3.29Å; C158-L162 PolarHBondContact O-N 3.35Å; I159-L162 PolarHBondContact O-N 2.7Å; L162-C164 VanDerWaalsContact C-N 3.33Å; L162-C164 PolarHBondContact O-N 2.85Å; L162-F165 PolarHBondContact O-N 3.14Å; L162-I166 HydrophobicContact CD1-CD1 4.19Å; L162-I166 HydrophobicContact CD1-CG1 4.48Å; L162-I166 HydrophobicContact CG-CD1 4.01Å; L162-I166 WeakPolarHBondContact O-CG1 3.34Å; L162-I166 PolarHBondContact O-N 3.47Å
163	G	94.2	Very high	94.1	Very high	12 Å²	12	71 Å²	71	12%	0.124	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-42.9	173.4	0	0	0	0	0	112.2	I159 F165 I166 C167	I159-G163 PolarHBondContact O-N 3.26Å; G163-F165 PolarHBondContact O-N 3.35Å; G163-I166 PolarHBondContact O-N 3.44Å; G163-C167 PolarHBondContact O-N 2.86Å; G163-C167 PolarHBondContact O-SG 2.94Å; G163-C167 VanDerWaalsContact O-SG 3.42Å
164	C	94.5	Very high	94.3	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.02	36%	0.356	C	S	.	.	H	α-helix	trans	-57.9	-48.1	173.3	-162.4	0	0	0	0	111.9	L160 I161 L162 I166 C167 M168 W622 I623	L160-C164 WeakPolarHBondContact O-CB 3.23Å; L160-C164 PolarHBondContact O-N 3.21Å; I161-C164 WeakPolarHBondContact O-CB 3.39Å; I161-C164 PolarHBondContact O-N 2.91Å; L162-C164 VanDerWaalsContact C-N 3.33Å; L162-C164 PolarHBondContact O-N 2.85Å; C164-I166 PolarHBondContact O-N 2.9Å; C164-C167 PolarHBondContact O-N 2.94Å; C164-M168 WeakPolarHBondContact O-CB 3.42Å; C164-M168 WeakPolarHBondContact O-CG 3.08Å; C164-M168 PolarHBondContact O-N 2.92Å; C164-W622 HydrophobicContact CB-CB 3.61Å; C164-W622 HydrophobicContact CB-CD2 4.4Å; C164-W622 HydrophobicContact CB-CG 3.78Å; C164-I623 HydrophobicContact CB-CD1 4.21Å; C164-I623 HydrophobicContact CB-CG1 4.29Å
165	F	94.8	Very high	94.4	Very high	144 Å²	144	68.8 Å²	68.8	63%	0.632	35%	0.346	S	S	*	.	H	α-helix	trans	-62.6	-39	178.2	-81.7	-62.4	0	0	0	112.8	I161 L162 G163 M168 F169	I161-F165 HydrophobicContact CG2-CD2 3.72Å; I161-F165 HydrophobicContact CG2-CE2 3.51Å; I161-F165 VanDerWaalsContact O-CD2 3.23Å; I161-F165 WeakPolarHBondContact O-CD2 3.23Å; I161-F165 PolarHBondContact O-N 3.21Å; L162-F165 PolarHBondContact O-N 3.14Å; G163-F165 PolarHBondContact O-N 3.35Å; F165-M168 PolarHBondContact O-N 3.26Å; F165-F169 WeakPolarHBondContact O-CB 3.31Å; F165-F169 PolarHBondContact O-N 3.45Å
166	I	96.3	Very high	94.4	Very high	80 Å²	80	69.7 Å²	69.7	41%	0.41	35%	0.351	S	S	.	.	H	α-helix	trans	-65.5	-47.6	177	-68.9	166.5	0	0	0	110.8	L162 G163 C164 M168 F169 F170	L162-I166 HydrophobicContact CD1-CD1 4.19Å; L162-I166 HydrophobicContact CD1-CG1 4.48Å; L162-I166 HydrophobicContact CG-CD1 4.01Å; L162-I166 WeakPolarHBondContact O-CG1 3.34Å; L162-I166 PolarHBondContact O-N 3.47Å; G163-I166 PolarHBondContact O-N 3.44Å; C164-I166 PolarHBondContact O-N 2.9Å; I166-M168 VanDerWaalsContact C-N 3.35Å; I166-M168 PolarHBondContact O-N 2.88Å; I166-F169 PolarHBondContact O-N 3.01Å; I166-F170 HydrophobicContact CG2-CD2 3.82Å; I166-F170 HydrophobicContact CG2-CE2 3.52Å; I166-F170 VanDerWaalsContact O-CD2 3.25Å; I166-F170 WeakPolarHBondContact O-CD2 3.12Å; I166-F170 PolarHBondContact O-N 3.26Å
167	C	95.8	Very high	94.5	Very high	40 Å²	40	70.8 Å²	70.8	27%	0.27	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-41.5	175.3	-68	0	0	0	0	112.3	G163 C164 F169 F170 L171 L618	G163-C167 PolarHBondContact O-N 2.86Å; G163-C167 PolarHBondContact O-SG 2.94Å; G163-C167 VanDerWaalsContact O-SG 3.42Å; C164-C167 PolarHBondContact O-N 2.94Å; C167-F169 VanDerWaalsContact C-N 3.34Å; C167-F169 PolarHBondContact O-N 3.04Å; C167-F170 PolarHBondContact O-N 3.23Å; C167-L171 VanDerWaalsContact O-CB 3.32Å; C167-L171 WeakPolarHBondContact O-CB 3.36Å; C167-L171 PolarHBondContact O-N 3.39Å; C167-L618 HydrophobicContact CB-CD1 3.94Å; C167-L618 HydrophobicContact CB-CD2 3.64Å; C167-L618 HydrophobicContact CB-CG 4.44Å
168	M	95.2	Very high	94.5	Very high	45 Å²	45	73.9 Å²	73.9	22%	0.222	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-37	176	-71.7	-71.3	-63.2	0	0	112.2	C164 F165 I166 A172 T615 L618 F619	C164-M168 WeakPolarHBondContact O-CB 3.42Å; C164-M168 WeakPolarHBondContact O-CG 3.08Å; C164-M168 PolarHBondContact O-N 2.92Å; F165-M168 PolarHBondContact O-N 3.26Å; I166-M168 VanDerWaalsContact C-N 3.35Å; I166-M168 PolarHBondContact O-N 2.88Å; M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.47Å; M168-A172 PolarHBondContact O-N 2.93Å; M168-T615 HydrophobicContact CE-CG2 3.55Å; M168-T615 HydrophobicContact SD-CG2 3.66Å; M168-L618 HydrophobicContact CG-CD1 4.25Å; M168-L618 HydrophobicContact SD-CB 4.32Å; M168-L618 HydrophobicContact SD-CD1 3.82Å; M168-F619 HydrophobicContact CE-CE1 4.43Å; M168-F619 HydrophobicContact CE-CE2 4Å; M168-F619 HydrophobicContact CE-CZ 3.65Å; M168-F619 HydrophobicContact SD-CE1 4.47Å; M168-F619 HydrophobicContact SD-CE2 4.4Å; M168-F619 HydrophobicContact SD-CZ 4.14Å
169	F	95.7	Very high	94.6	Very high	122 Å²	122	74.1 Å²	74.1	54%	0.535	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-46.2	175.2	174	-100.3	0	0	0	112.2	F165 I166 C167 A172 R173	F165-F169 WeakPolarHBondContact O-CB 3.31Å; F165-F169 PolarHBondContact O-N 3.45Å; I166-F169 PolarHBondContact O-N 3.01Å; C167-F169 VanDerWaalsContact C-N 3.34Å; C167-F169 PolarHBondContact O-N 3.04Å; F169-A172 PolarHBondContact O-N 3.13Å; F169-R173 HydrophobicContact CE1-CG 4.35Å; F169-R173 HydrophobicContact CE2-CG 4.42Å; F169-R173 HydrophobicContact CZ-CG 4.18Å; F169-R173 PolarHBondContact O-N 3.42Å
170	F	95.7	Very high	94.6	Very high	114 Å²	114	70.9 Å²	70.9	50%	0.5	35%	0.347	S	S	.	.	H	α-helix	trans	-62.9	-43.8	175.6	-75.2	-60.1	0	0	0	112.2	I166 C167 A172 R173 Q174	I166-F170 HydrophobicContact CG2-CD2 3.82Å; I166-F170 HydrophobicContact CG2-CE2 3.52Å; I166-F170 VanDerWaalsContact O-CD2 3.25Å; I166-F170 WeakPolarHBondContact O-CD2 3.12Å; I166-F170 PolarHBondContact O-N 3.26Å; C167-F170 PolarHBondContact O-N 3.23Å; F170-A172 PolarHBondContact O-N 3Å; F170-R173 PolarHBondContact O-N 3.4Å; F170-Q174 WeakPolarHBondContact O-CB 3.49Å; F170-Q174 PolarHBondContact O-N 3.31Å
171	L	95.5	Very high	94.5	Very high	11 Å²	11	72.7 Å²	72.7	6%	0.058	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-39.6	176.9	-178.5	62	0	0	0	112.1	C167 Q174 Y175 L606 L611 Q614 T615 L618	C167-L171 VanDerWaalsContact O-CB 3.32Å; C167-L171 WeakPolarHBondContact O-CB 3.36Å; C167-L171 PolarHBondContact O-N 3.39Å; L171-Q174 PolarHBondContact O-N 3Å; L171-Y175 PolarHBondContact O-N 3.35Å; L171-L606 HydrophobicContact CD1-CD1 4.3Å; L171-L606 HydrophobicContact CD1-CD2 3.68Å; L171-L611 HydrophobicContact CD1-CD1 4.25Å; L171-L611 HydrophobicContact CD2-CD1 4.02Å; L171-L611 HydrophobicContact CG-CD1 3.72Å; L171-Q614 HydrophobicContact CD1-CB 4.34Å; L171-Q614 HydrophobicContact CD2-CB 3.75Å; L171-T615 HydrophobicContact CD2-CG2 3.67Å; L171-L618 HydrophobicContact CD2-CD1 3.86Å
172	A	94.4	Very high	94.5	Very high	44 Å²	44	74.7 Å²	74.7	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-65.7	-39.6	174.3	0	0	0	0	0	112.3	M168 F169 F170 Y175 L176	M168-A172 VanDerWaalsContact O-CB 3.23Å; M168-A172 WeakPolarHBondContact O-CB 3.47Å; M168-A172 PolarHBondContact O-N 2.93Å; F169-A172 PolarHBondContact O-N 3.13Å; F170-A172 PolarHBondContact O-N 3Å; A172-Y175 PolarHBondContact O-N 3.2Å; A172-L176 VanDerWaalsContact O-CG 3.31Å; A172-L176 WeakPolarHBondContact O-CG 3.44Å; A172-L176 PolarHBondContact O-N 2.98Å
173	R	95.7	Very high	94.3	Very high	134 Å²	134	71.4 Å²	71.4	51%	0.506	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-49.5	172.9	-81.8	-159.9	58	172.9	-7.2	112.1	F169 F170 Y175 L176 E177	F169-R173 HydrophobicContact CE1-CG 4.35Å; F169-R173 HydrophobicContact CE2-CG 4.42Å; F169-R173 HydrophobicContact CZ-CG 4.18Å; F169-R173 PolarHBondContact O-N 3.42Å; F170-R173 PolarHBondContact O-N 3.4Å; R173-Y175 PolarHBondContact O-N 3.43Å; R173-L176 CarbonylContact O-C 3.31Å; R173-L176 PolarHBondContact O-N 3.16Å; R173-E177 IonicContact NE-OE1 3.16Å; R173-E177 IonicContact NH2-OE1 2.96Å; R173-E177 PolarHBondContact NH2-OE1 3.41Å; R173-E177 WeakPolarHBondContact O-CG 3.18Å; R173-E177 PolarHBondContact O-N 3.23Å
174	Q	94.3	Very high	93.9	Very high	66 Å²	66	76.9 Å²	76.9	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-58.8	-31.8	178.4	-173.8	-179.4	-2.8	0	0	112.5	F170 L171 L606	F170-Q174 WeakPolarHBondContact O-CB 3.49Å; F170-Q174 PolarHBondContact O-N 3.31Å; L171-Q174 PolarHBondContact O-N 3Å; Q174-L606 HydrophobicContact CB-CD2 4.42Å; Q174-L606 HydrophobicContact CG-CD2 4.32Å
175	Y	94.1	Very high	93.8	Very high	54 Å²	54	82.1 Å²	82.1	21%	0.212	40%	0.401	C	S	.	.	H	α-helix	trans	-71.3	-43.5	172.9	-177	-109.5	0	0	0	112.8	L171 A172 R173 E177 Y178 L606 L611	L171-Y175 PolarHBondContact O-N 3.35Å; A172-Y175 PolarHBondContact O-N 3.2Å; R173-Y175 PolarHBondContact O-N 3.43Å; Y175-E177 VanDerWaalsContact C-N 3.27Å; Y175-E177 PolarHBondContact O-N 3.13Å; Y175-Y178 PolarHBondContact O-N 3.46Å; Y175-L606 HydrophobicContact CD2-CD2 4.26Å; Y175-L606 HydrophobicContact CD2-CG 4.13Å; Y175-L611 HydrophobicContact CD1-CD2 3.86Å; Y175-L611 HydrophobicContact CD2-CB 4.36Å; Y175-L611 HydrophobicContact CD2-CD2 3.9Å; Y175-L611 HydrophobicContact CE1-CD2 3.98Å; Y175-L611 HydrophobicContact CE2-CD2 4.01Å; Y175-L611 HydrophobicContact CG-CD2 3.81Å
176	L	94.4	Very high	93.7	Very high	110 Å²	110	79.6 Å²	79.6	58%	0.576	40%	0.397	S	S	*	.	H	α-helix	trans	-75.4	-9.9	-179.7	-68.7	173.1	0	0	0	114.4	A172 R173 Y178	A172-L176 VanDerWaalsContact O-CG 3.31Å; A172-L176 WeakPolarHBondContact O-CG 3.44Å; A172-L176 PolarHBondContact O-N 2.98Å; R173-L176 CarbonylContact O-C 3.31Å; R173-L176 PolarHBondContact O-N 3.16Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 WeakPolarHBondContact O-CD2 3.08Å; L176-Y178 VanDerWaalsContact O-CE2 3.29Å; L176-Y178 WeakPolarHBondContact O-CE2 3.3Å
177	E	94	Very high	93.5	Very high	95 Å²	95	78.8 Å²	78.8	44%	0.444	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.9	170	-74.6	166	-167.1	0	0	112.8	R173 Y175 N179	R173-E177 IonicContact NE-OE1 3.16Å; R173-E177 IonicContact NH2-OE1 2.96Å; R173-E177 PolarHBondContact NH2-OE1 3.41Å; R173-E177 WeakPolarHBondContact O-CG 3.18Å; R173-E177 PolarHBondContact O-N 3.23Å; Y175-E177 VanDerWaalsContact C-N 3.27Å; Y175-E177 PolarHBondContact O-N 3.13Å; E177-N179 VanDerWaalsContact CB-ND2 3.32Å; E177-N179 WeakPolarHBondContact CB-ND2 3.45Å; E177-N179 PolarHBondContact O-N 2.67Å; E177-N179 VanDerWaalsContact O-N 3.1Å; E177-N179 PolarHBondContact OE2-ND2 3.07Å; E177-N179 VanDerWaalsContact OE2-ND2 3.15Å
178	Y	92.6	Very high	93.2	Very high	81 Å²	81	86 Å²	86	32%	0.318	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	30.9	177.7	-57.8	-73.1	0	0	0	114.9	Y175 L176 P400 Y401	Y175-Y178 PolarHBondContact O-N 3.46Å; L176-Y178 VanDerWaalsContact C-N 3.3Å; L176-Y178 WeakPolarHBondContact O-CD2 3.08Å; L176-Y178 VanDerWaalsContact O-CE2 3.29Å; L176-Y178 WeakPolarHBondContact O-CE2 3.3Å; Y178-P400 HydrophobicContact CD1-CB 4.01Å; Y178-P400 HydrophobicContact CD1-CG 3.52Å; Y178-P400 HydrophobicContact CD2-CB 3.97Å; Y178-P400 HydrophobicContact CD2-CG 4.37Å; Y178-P400 HydrophobicContact CE1-CB 4.18Å; Y178-P400 HydrophobicContact CE1-CG 3.56Å; Y178-P400 HydrophobicContact CE2-CB 4.14Å; Y178-P400 HydrophobicContact CE2-CG 4.4Å; Y178-P400 HydrophobicContact CG-CB 3.9Å; Y178-P400 HydrophobicContact CG-CG 3.96Å; Y178-Y401 HydrophobicContact CD1-CD1 4.15Å; Y178-Y401 AromaticContact CD1-CE1 3.73Å; Y178-Y401 HydrophobicContact CD1-CE1 3.73Å; Y178-Y401 HydrophobicContact CD1-CE2 4.31Å; Y178-Y401 AromaticContact CD1-CZ 3.83Å; Y178-Y401 HydrophobicContact CG-CE1 4.43Å; Y178-Y401 WeakPolarHBondContact O-CD1 3.15Å
179	N	94.2	Very high	92.8	Very high	74 Å²	74	91.4 Å²	91.4	40%	0.396	44%	0.439	S	S	.	.			trans	-59.2	138.4	-176.6	-68.7	-53.6	0	0	0	113.1	E177 V605	E177-N179 VanDerWaalsContact CB-ND2 3.32Å; E177-N179 WeakPolarHBondContact CB-ND2 3.45Å; E177-N179 PolarHBondContact O-N 2.67Å; E177-N179 VanDerWaalsContact O-N 3.1Å; E177-N179 PolarHBondContact OE2-ND2 3.07Å; E177-N179 VanDerWaalsContact OE2-ND2 3.15Å; N179-V605 HydrophobicContact CB-CB 4.4Å; N179-V605 HydrophobicContact CB-CG2 4.16Å; N179-V605 WeakPolarHBondContact O-CB 3.22Å; N179-V605 WeakPolarHBondContact O-CG2 3.28Å; N179-V605 PolarHBondContact O-N 2.85Å
180	V	93.4	Very high	92.4	Very high	38 Å²	38	87.6 Å²	87.6	23%	0.23	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	159	172.6	-64.6	0	0	0	0	111.3	Q397 Y401 E602 K603	V180-Q397 HydrophobicContact CG1-CG 4.19Å; V180-Y401 HydrophobicContact CG1-CD1 4.37Å; V180-E602 HydrophobicContact CB-CB 4.4Å; V180-E602 HydrophobicContact CG2-CG 4.19Å; V180-K603 CarbonylContact C-O 3.55Å; V180-K603 VanDerWaalsContact CA-O 3.28Å; V180-K603 WeakPolarHBondContact CA-O 3.29Å
181	I	93.4	Very high	92	Very high	93 Å²	93	88.6 Å²	88.6	48%	0.477	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150.4	174.6	46.4	166.1	0	0	0	110.9	P183 K603 V605	I181-P183 VanDerWaalsContact C-CD 3.49Å; I181-P183 WeakPolarHBondContact O-CD 3.49Å; I181-K603 HydrophobicContact CG1-CB 4.29Å; I181-K603 WeakPolarHBondContact CG1-O 3.45Å; I181-K603 PolarHBondContact N-O 2.87Å; I181-K603 PolarHBondContact O-N 3.32Å; I181-V605 HydrophobicContact CB-CG2 4.27Å; I181-V605 HydrophobicContact CG1-CG2 4Å; I181-V605 HydrophobicContact CG2-CG2 3.62Å
182	H	92.3	Very high	91.8	Very high	104 Å²	104	88.2 Å²	88.2	48%	0.481	43%	0.433	S	S	.	.			trans	-112.7	78.7	-179.8	-45.4	-89.8	0	0	0	110.3	P184 V600 E602	H182-P184 WeakPolarHBondContact O-CD 3.43Å; H182-V600 HydrophobicContact CB-CG1 4.35Å; H182-E602 WeakPolarHBondContact CE1-CG 3.37Å; H182-E602 IonicContact CE1-OE1 2.96Å; H182-E602 WeakPolarHBondContact ND1-CG 3.19Å
183	P	90.6	Very high	91.8	Very high	36 Å²	36	87.7 Å²	87.7	23%	0.234	43%	0.426	C	S	.	.			trans	-62.4	118.5	175.9	25.1	-34.8	0	0	0	110.7	I181 R185 E601 K603	I181-P183 VanDerWaalsContact C-CD 3.49Å; I181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-R185 PolarHBondContact O-N 3.42Å; P183-E601 WeakPolarHBondContact CD-O 3.27Å; P183-K603 HydrophobicContact CG-CD 3.84Å; P183-K603 HydrophobicContact CG-CG 4.2Å
184	P	85.8	Confident	91.8	Very high	126 Å²	126	81.3 Å²	81.3	82%	0.818	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	125.7	-178.7	27.8	-34	0	0	0	110.2	H182	H182-P184 WeakPolarHBondContact O-CD 3.43Å
185	R	92.2	Very high	91.9	Very high	113 Å²	113	78.1 Å²	78.1	43%	0.426	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.3	176.8	-73.7	173.7	161.9	-167.6	-15.7	109.6	P183 R598 K599 E601	P183-R185 PolarHBondContact O-N 3.42Å; R185-R598 CarbonylContact O-C 3.52Å; R185-R598 WeakPolarHBondContact O-CA 3.31Å; R185-K599 HydrophobicContact CB-CB 4.17Å; R185-K599 PolarHBondContact N-O 3.31Å; R185-K599 PolarHBondContact O-N 3.44Å; R185-E601 IonicContact NH1-OE2 2.69Å; R185-E601 PolarHBondContact NH1-OE2 2.96Å
186	V	92.2	Very high	92	Very high	92 Å²	92	75.6 Å²	75.6	56%	0.558	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	108.9	171.5	-176.6	0	0	0	0	107.7	D596	V186-D596 HydrophobicContact CG1-CB 4.11Å
187	L	91.4	Very high	92.1	Very high	63 Å²	63	70.4 Å²	70.4	33%	0.33	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.8	176	-56.5	-176.1	0	0	0	108.2	T190 D596 V597 K599	L187-T190 HydrophobicContact CB-CG2 4.29Å; L187-T190 VanDerWaalsContact CB-OG1 3.28Å; L187-T190 WeakPolarHBondContact CB-OG1 3.13Å; L187-T190 HydrophobicContact CD1-CG2 4.34Å; L187-D596 WeakPolarHBondContact O-CA 3.39Å; L187-V597 PolarHBondContact N-O 2.98Å; L187-V597 PolarHBondContact O-N 3.36Å; L187-K599 HydrophobicContact CD1-CB 4.33Å; L187-K599 HydrophobicContact CD1-CD 4.01Å; L187-K599 HydrophobicContact CG-CB 4.31Å
188	R	90.4	Very high	92.2	Very high	190 Å²	190	65.9 Å²	65.9	72%	0.717	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	151.2	179.7	-65.7	-176.6	177.1	148	0.5	111.5	T190 D596	R188-T190 PolarHBondContact O-N 3.03Å; R188-T190 PolarHBondContact O-OG1 2.98Å; R188-T190 VanDerWaalsContact O-OG1 3.08Å; R188-D596 WeakPolarHBondContact CA-OD1 3.42Å
189	H	85.6	Confident	92.4	Very high	160 Å²	160	62 Å²	62	74%	0.741	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	34.6	176.2	-54.3	105.1	0	0	0	114.7	F595 D596	H189-F595 CarbonylContact C-O 3.59Å; H189-F595 WeakPolarHBondContact CA-O 3.45Å; H189-F595 PolarHBondContact N-O 3.42Å; H189-D596 PolarHBondContact N-OD1 3.13Å
190	T	88.1	Confident	92.5	Very high	42 Å²	42	58.5 Å²	58.5	26%	0.258	30%	0.295	S	S	.	.			trans	-97	128.7	-172.8	-66.6	0	0	0	0	110.9	L187 R188 S192 F595 V597	L187-T190 HydrophobicContact CB-CG2 4.29Å; L187-T190 VanDerWaalsContact CB-OG1 3.28Å; L187-T190 WeakPolarHBondContact CB-OG1 3.13Å; L187-T190 HydrophobicContact CD1-CG2 4.34Å; R188-T190 PolarHBondContact O-N 3.03Å; R188-T190 PolarHBondContact O-OG1 2.98Å; R188-T190 VanDerWaalsContact O-OG1 3.08Å; T190-S192 PolarHBondContact O-N 3.44Å; T190-S192 PolarHBondContact O-OG 2.93Å; T190-F595 PolarHBondContact N-O 3.46Å; T190-V597 HydrophobicContact CG2-CB 4.46Å; T190-V597 HydrophobicContact CG2-CG2 4.05Å
191	I	87.2	Confident	92.6	Very high	135 Å²	135	56.8 Å²	56.8	69%	0.692	29%	0.285	S	S	*	.			trans	-59.6	123.1	-179.3	-59.6	176.5	0	0	0	109.1
192	S	92.4	Very high	92.5	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.014	26%	0.264	C	S	.	.			trans	-145.3	143.2	-175.7	43.1	0	0	0	0	110.3	T190 R592	T190-S192 PolarHBondContact O-N 3.44Å; T190-S192 PolarHBondContact O-OG 2.93Å; S192-R592 PolarHBondContact O-NH1 3.36Å
193	P	94.4	Very high	92.5	Very high	33 Å²	33	49.2 Å²	49.2	21%	0.214	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-79.2	129.9	-177.2	29.9	-32.2	0	0	0	112	R323 Y516 Y518	P193-R323 HydrophobicContact CB-CB 3.96Å; P193-Y516 HydrophobicContact CG-CD2 3.58Å; P193-Y516 HydrophobicContact CG-CE2 3.83Å; P193-Y516 HydrophobicContact CG-CG 4.06Å; P193-Y518 WeakPolarHBondContact O-CE1 3.37Å; P193-Y518 PolarHBondContact O-OH 2.86Å
194	F	95.3	Very high	92.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-61.9	138.3	166.6	-159	-84.6	0	0	0	110.5	P318 R323 I326 I329 L389 I590 R592	F194-P318 HydrophobicContact CD1-CG 4.48Å; F194-R323 WeakPolarHBondContact CB-O 3.09Å; F194-R323 PolarHBondContact N-O 2.74Å; F194-I326 HydrophobicContact CB-CB 4.04Å; F194-I326 HydrophobicContact CB-CD1 4.05Å; F194-I326 HydrophobicContact CB-CG2 4.43Å; F194-I326 HydrophobicContact CD1-CG2 4.03Å; F194-I326 HydrophobicContact CD2-CB 3.81Å; F194-I326 HydrophobicContact CD2-CG2 3.54Å; F194-I326 WeakPolarHBondContact CD2-O 3.41Å; F194-I326 HydrophobicContact CE1-CG2 4.19Å; F194-I326 HydrophobicContact CE2-CB 4.44Å; F194-I326 HydrophobicContact CE2-CG2 3.69Å; F194-I326 HydrophobicContact CG-CB 3.87Å; F194-I326 HydrophobicContact CG-CD1 4.35Å; F194-I326 HydrophobicContact CG-CG2 3.72Å; F194-I326 HydrophobicContact CZ-CG2 4.02Å; F194-I329 HydrophobicContact CD1-CD1 4.09Å; F194-I329 HydrophobicContact CE1-CD1 3.46Å; F194-I329 VanDerWaalsContact CE1-CD1 3.46Å; F194-I329 HydrophobicContact CE1-CG1 3.81Å; F194-I329 HydrophobicContact CZ-CD1 4.18Å; F194-I329 HydrophobicContact CZ-CG1 4.01Å; F194-L389 HydrophobicContact CD2-CD1 4.36Å; F194-L389 HydrophobicContact CE1-CD1 4.39Å; F194-L389 HydrophobicContact CE2-CD1 3.77Å; F194-L389 HydrophobicContact CZ-CD1 3.78Å; F194-I590 HydrophobicContact CE1-CG2 4.49Å; F194-I590 HydrophobicContact CZ-CG2 3.95Å; F194-R592 HydrophobicContact CD2-CB 4.33Å; F194-R592 HydrophobicContact CE2-CB 4.05Å
195	P	96.2	Very high	92.9	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-72	166.2	-173.6	27.5	-35.1	0	0	0	114.4	I363 H364 L389 Y518	P195-I363 HydrophobicContact CB-CG2 3.63Å; P195-I363 HydrophobicContact CG-CG2 3.51Å; P195-H364 WeakPolarHBondContact CA-O 3.06Å; P195-H364 WeakPolarHBondContact CB-O 3.03Å; P195-L389 HydrophobicContact CG-CD1 3.75Å; P195-Y518 HydrophobicContact CB-CD1 3.83Å; P195-Y518 HydrophobicContact CB-CD2 3.97Å; P195-Y518 HydrophobicContact CB-CE1 3.77Å; P195-Y518 HydrophobicContact CB-CE2 3.94Å; P195-Y518 HydrophobicContact CB-CG 3.93Å; P195-Y518 HydrophobicContact CG-CD1 3.77Å; P195-Y518 HydrophobicContact CG-CE1 3.92Å; P195-Y518 HydrophobicContact CG-CG 4.18Å
196	S	96.1	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.7	161.4	-72.2	0	0	0	0	110.4	H364 D367	S196-H364 VanDerWaalsContact CB-CE1 3.43Å; S196-H364 WeakPolarHBondContact CB-CE1 3.42Å; S196-H364 PolarHBondContact N-O 2.9Å; S196-H364 PolarHBondContact O-CD2 3.01Å; S196-H364 VanDerWaalsContact O-CD2 3.24Å; S196-H364 PolarHBondContact O-N 3.29Å; S196-D367 PolarHBondContact OG-N 3.4Å
197	V	96.6	Very high	92.6	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	116.1	-173	176.4	0	0	0	0	110.1	I199 T315 F316 M331 I361 I590	V197-I199 HydrophobicContact CG1-CD1 4.33Å; V197-I199 HydrophobicContact CG1-CG1 4.41Å; V197-T315 CarbonylContact O-C 3.5Å; V197-T315 VanDerWaalsContact O-CA 3.3Å; V197-T315 WeakPolarHBondContact O-CA 3.02Å; V197-F316 PolarHBondContact N-O 2.98Å; V197-F316 PolarHBondContact O-N 3.22Å; V197-M331 HydrophobicContact CB-CE 4.42Å; V197-M331 HydrophobicContact CG1-CE 4.07Å; V197-I361 HydrophobicContact CG1-CD1 3.65Å; V197-I361 HydrophobicContact CG1-CG1 3.99Å; V197-I590 HydrophobicContact CB-CD1 4.24Å; V197-I590 HydrophobicContact CG1-CD1 3.61Å; V197-I590 HydrophobicContact CG2-CD1 3.6Å
198	T	96.9	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.5	177.4	-64	0	0	0	0	111.3	F305 C313 A314 T315 I361 S362 H364 P370 I372	T198-F305 HydrophobicContact CG2-CE1 4.05Å; T198-F305 HydrophobicContact CG2-CZ 4Å; T198-C313 HydrophobicContact CG2-CB 4.42Å; T198-A314 CarbonylContact C-O 3.59Å; T198-A314 WeakPolarHBondContact CA-O 3.22Å; T198-T315 WeakPolarHBondContact OG1-CB 3.37Å; T198-T315 VanDerWaalsContact OG1-CG2 3.29Å; T198-T315 WeakPolarHBondContact OG1-CG2 3.22Å; T198-T315 PolarHBondContact OG1-OG1 2.94Å; T198-I361 CarbonylContact O-C 3.54Å; T198-I361 VanDerWaalsContact O-CA 3.29Å; T198-I361 WeakPolarHBondContact O-CA 3.31Å; T198-S362 PolarHBondContact N-O 2.93Å; T198-S362 PolarHBondContact O-N 2.98Å; T198-H364 PolarHBondContact OG1-NE2 3.29Å; T198-P370 HydrophobicContact CG2-CB 4.23Å; T198-P370 HydrophobicContact CG2-CG 4.08Å; T198-P370 WeakPolarHBondContact OG1-CB 3.47Å; T198-P370 WeakPolarHBondContact OG1-CG 3.41Å; T198-I372 HydrophobicContact CG2-CD1 4.09Å; T198-I372 HydrophobicContact CG2-CG1 4.32Å
199	I	96.5	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.5	179.8	-70.2	160.3	0	0	0	110.1	V197 L277 I278 A314 M331 I333 L360 I361 I588	V197-I199 HydrophobicContact CG1-CD1 4.33Å; V197-I199 HydrophobicContact CG1-CG1 4.41Å; I199-L277 HydrophobicContact CG2-CD2 4.27Å; I199-I278 HydrophobicContact CB-CD1 4.37Å; I199-I278 HydrophobicContact CD1-CD1 3.97Å; I199-I278 HydrophobicContact CG2-CD1 4.4Å; I199-A314 PolarHBondContact N-O 3.38Å; I199-A314 PolarHBondContact O-N 2.04Å; I199-M331 HydrophobicContact CD1-CE 4.3Å; I199-M331 HydrophobicContact CD1-SD 3.36Å; I199-M331 WeakPolarHBondContact CD1-SD 3.42Å; I199-I333 HydrophobicContact CD1-CD1 4.23Å; I199-I333 HydrophobicContact CG2-CD1 3.68Å; I199-L360 WeakPolarHBondContact CA-O 3.46Å; I199-I361 HydrophobicContact CG1-CB 4.49Å; I199-I361 HydrophobicContact CG1-CG1 4.31Å; I199-I588 HydrophobicContact CD1-CD1 4.1Å; I199-I588 HydrophobicContact CG1-CD1 4.47Å
200	C	95.8	Very high	92.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.5	169.6	-33.7	0	0	0	0	110.4	Y310 C313 A359 L360	C200-Y310 HydrophobicContact CB-CG 4.24Å; C200-C313 HydrophobicContact CB-CB 4.14Å; C200-C313 WeakPolarHBondContact CB-SG 3.11Å; C200-C313 WeakPolarHBondContact SG-CB 3.02Å; C200-C313 CovalentContact SG-SG 2.04Å; C200-C313 PolarHBondContact SG-SG 2.88Å; C200-A359 CarbonylContact O-C 3.48Å; C200-A359 VanDerWaalsContact O-CA 3.31Å; C200-A359 WeakPolarHBondContact O-CA 3.43Å; C200-A359 WeakPolarHBondContact O-CB 3.45Å; C200-L360 HydrophobicContact CB-CD1 4.31Å; C200-L360 HydrophobicContact CB-CD2 4.01Å; C200-L360 HydrophobicContact CB-CG 3.93Å; C200-L360 PolarHBondContact N-O 2.04Å; C200-L360 PolarHBondContact O-N 2.75Å
201	N	94.5	Very high	93	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140	170.9	-166.7	-22	0	0	0	109.4	R203 Y272 L277 L335 G358	N201-R203 PolarHBondContact O-N 3.46Å; N201-R203 PolarHBondContact OD1-N 2.91Å; N201-Y272 HydrophobicContact CB-CD2 4.27Å; N201-Y272 VanDerWaalsContact ND2-CE2 3.32Å; N201-Y272 WeakPolarHBondContact ND2-CE2 3.44Å; N201-L277 HydrophobicContact CB-CD1 3.98Å; N201-L335 PolarHBondContact ND2-O 2.9Å; N201-L335 VanDerWaalsContact ND2-O 3.16Å; N201-G358 PolarHBondContact OD1-O 3.25Å; N201-G358 VanDerWaalsContact OD1-O 3.08Å
202	F	92.4	Very high	93.3	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.035	9%	0.086	C	C	.	.	S	Bend	trans	-67.9	-21.3	170.8	-72.4	-49.1	0	0	0	112.6	P204 Y310 L356 G358 A359 L360 N378	F202-P204 WeakPolarHBondContact O-CD 3.41Å; F202-Y310 HydrophobicContact CD1-CD1 4.32Å; F202-Y310 AromaticContact CD1-CE1 3.84Å; F202-Y310 HydrophobicContact CD1-CE1 3.84Å; F202-Y310 HydrophobicContact CE1-CE1 4.34Å; F202-L356 HydrophobicContact CB-CB 4.24Å; F202-L356 WeakPolarHBondContact CB-O 3.39Å; F202-L356 HydrophobicContact CD1-CB 4.47Å; F202-L356 HydrophobicContact CD2-CB 3.91Å; F202-L356 HydrophobicContact CE1-CD1 4.37Å; F202-L356 HydrophobicContact CE2-CB 4.42Å; F202-L356 HydrophobicContact CG-CB 3.98Å; F202-L356 HydrophobicContact CZ-CD1 4.39Å; F202-G358 PolarHBondContact N-O 2.96Å; F202-A359 WeakPolarHBondContact CE2-O 3.48Å; F202-A359 WeakPolarHBondContact CZ-O 3.47Å; F202-L360 HydrophobicContact CE1-CB 3.81Å; F202-L360 HydrophobicContact CE1-CD2 4.25Å; F202-L360 HydrophobicContact CZ-CB 3.97Å; F202-N378 HydrophobicContact CE2-CB 4.2Å; F202-N378 HydrophobicContact CZ-CB 3.83Å; F202-N378 WeakPolarHBondContact CZ-OD1 3.48Å
203	R	91.3	Very high	93.4	Very high	29 Å²	29	17.3 Å²	17.3	11%	0.109	9%	0.085	C	C	.	.	S	Bend	trans	-101.2	95.7	179.1	-47.5	-61.5	-66.8	105.9	22.1	107.1	N201 Y272 E337 C344 D346 S354 L356	N201-R203 PolarHBondContact O-N 3.46Å; N201-R203 PolarHBondContact OD1-N 2.91Å; R203-Y272 WeakPolarHBondContact O-CE2 3.44Å; R203-E337 WeakPolarHBondContact CD-OE1 3.38Å; R203-E337 HydrophobicContact CG-CG 3.87Å; R203-E337 WeakPolarHBondContact CG-OE1 3.39Å; R203-E337 IonicContact NE-OE1 3.96Å; R203-E337 PolarHBondContact NE-OE1 3.08Å; R203-C344 PolarHBondContact NH2-SG 2.87Å; R203-D346 IonicContact CZ-OD1 3.42Å; R203-D346 VanDerWaalsContact CZ-OD1 3.24Å; R203-D346 IonicContact NH1-OD1 3.38Å; R203-D346 PolarHBondContact NH1-OD1 3.42Å; R203-D346 IonicContact NH1-OD2 3.56Å; R203-D346 IonicContact NH2-OD1 2.81Å; R203-D346 PolarHBondContact NH2-OD1 3.42Å; R203-D346 IonicContact NH2-OD2 3.68Å; R203-S354 PolarHBondContact NH1-O 3.29Å; R203-L356 WeakPolarHBondContact CD-O 3.22Å
204	P	92.5	Very high	93.3	Very high	7 Å²	7	22 Å²	22	5%	0.045	10%	0.104	C	C	.	.			trans	-70.4	-36.6	-166.8	26.2	-36.4	0	0	0	113.3	F202 L254 G271 L311 D346	F202-P204 WeakPolarHBondContact O-CD 3.41Å; P204-L254 HydrophobicContact CB-CD2 3.62Å; P204-L254 HydrophobicContact CG-CD1 3.92Å; P204-L254 HydrophobicContact CG-CD2 3.59Å; P204-L254 HydrophobicContact CG-CG 4.38Å; P204-G271 WeakPolarHBondContact O-CA 3.43Å; P204-L311 HydrophobicContact CB-CB 3.76Å; P204-D346 WeakPolarHBondContact CD-OD2 3.4Å; P204-D346 HydrophobicContact CG-CB 4.48Å; P204-D346 WeakPolarHBondContact CG-OD2 3.42Å
205	I	92.3	Very high	93.2	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-86.2	119.6	-175.4	-52.8	-58.3	0	0	0	110.2	L210 P221 L254 L270 L311 I345 D346	I205-L210 HydrophobicContact CG2-CB 4.36Å; I205-P221 HydrophobicContact CD1-CG 4.35Å; I205-P221 HydrophobicContact CG1-CG 4.2Å; I205-L254 HydrophobicContact CD1-CD1 4.45Å; I205-L270 HydrophobicContact CD1-CB 4.11Å; I205-L270 HydrophobicContact CD1-CD1 4.47Å; I205-L311 HydrophobicContact CD1-CD2 4.12Å; I205-I345 HydrophobicContact CB-CD1 4.01Å; I205-I345 HydrophobicContact CG2-CD1 3.85Å; I205-D346 HydrophobicContact CG1-CB 4.26Å
206	S	91.4	Very high	93.1	Very high	10 Å²	10	33.4 Å²	33.4	7%	0.07	16%	0.158	C	C	.	.			trans	-77.6	158.6	176.5	68.1	0	0	0	0	112.4	D208 G209 L210 L270	S206-D208 PolarHBondContact O-N 3.43Å; S206-G209 CarbonylContact O-C 3.58Å; S206-G209 WeakPolarHBondContact O-CA 3.43Å; S206-G209 PolarHBondContact O-N 2.86Å; S206-G209 PolarHBondContact OG-N 2.84Å; S206-L210 PolarHBondContact O-N 3.31Å; S206-L270 PolarHBondContact N-O 3.49Å; S206-L270 PolarHBondContact OG-O 2.83Å
207	P	87.2	Confident	93	Very high	22 Å²	22	34.8 Å²	34.8	14%	0.143	17%	0.172	C	C	.	.	H	α-helix	trans	-59.2	-32.5	175.6	-25.7	35.3	0	0	0	113.5	K211 Y272 D336 M338	P207-K211 WeakPolarHBondContact O-CG 3.43Å; P207-K211 PolarHBondContact O-N 3.14Å; P207-Y272 WeakPolarHBondContact CD-OH 3.22Å; P207-D336 HydrophobicContact CG-CB 4.26Å; P207-M338 HydrophobicContact CB-CE 4.29Å; P207-M338 HydrophobicContact CB-SD 3.87Å; P207-M338 HydrophobicContact CG-CE 4.1Å; P207-M338 HydrophobicContact CG-CG 4.03Å; P207-M338 HydrophobicContact CG-SD 3.93Å
208	D	88.8	Confident	92.8	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	18%	0.176	S	C	.	.	H	α-helix	trans	-74.1	-37.4	173.3	-66.4	-31.4	0	0	0	111.8	S206 L210 K211 Y212 K276	S206-D208 PolarHBondContact O-N 3.43Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 3.21Å; D208-K211 WeakPolarHBondContact O-CB 3.38Å; D208-K211 PolarHBondContact O-N 3.17Å; D208-K211 IonicContact OD1-NZ 2.61Å; D208-K211 PolarHBondContact OD1-NZ 2.9Å; D208-Y212 PolarHBondContact O-N 3.39Å; D208-K276 IonicContact OD2-NZ 2.7Å; D208-K276 PolarHBondContact OD2-NZ 3.44Å
209	G	92.7	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.8	-38.2	171.6	0	0	0	0	0	113.4	S206 Y212 L213 L270	S206-G209 CarbonylContact O-C 3.58Å; S206-G209 WeakPolarHBondContact O-CA 3.43Å; S206-G209 PolarHBondContact O-N 2.86Å; S206-G209 PolarHBondContact OG-N 2.84Å; G209-Y212 WeakPolarHBondContact O-CA 3.45Å; G209-Y212 VanDerWaalsContact O-CB 3.3Å; G209-Y212 WeakPolarHBondContact O-CB 3.39Å; G209-Y212 PolarHBondContact O-N 2.98Å; G209-Y212 VanDerWaalsContact O-N 3.16Å; G209-L213 PolarHBondContact O-N 3.23Å; G209-L270 WeakPolarHBondContact CA-O 3.48Å
210	L	91	Very high	92.5	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	18%	0.184	C	C	.	.	H	α-helix	trans	-65.1	-42.2	174.1	179.2	61.9	0	0	0	112	I205 S206 D208 Y212 L213 Q214 T220 M338 I345	I205-L210 HydrophobicContact CG2-CB 4.36Å; S206-L210 PolarHBondContact O-N 3.31Å; D208-L210 VanDerWaalsContact C-N 3.33Å; D208-L210 PolarHBondContact O-N 3.21Å; L210-Y212 PolarHBondContact O-N 3.13Å; L210-L213 HydrophobicContact CD1-CD1 4.5Å; L210-L213 PolarHBondContact O-N 3.02Å; L210-Q214 WeakPolarHBondContact O-CG 3.45Å; L210-Q214 PolarHBondContact O-N 3.33Å; L210-Q214 VanDerWaalsContact O-N 3.13Å; L210-T220 HydrophobicContact CD1-CG2 4.16Å; L210-M338 HydrophobicContact CB-CE 4.47Å; L210-M338 HydrophobicContact CD2-CE 4Å; L210-M338 HydrophobicContact CD2-SD 4.16Å; L210-I345 HydrophobicContact CB-CD1 4.49Å; L210-I345 HydrophobicContact CD1-CD1 3.9Å; L210-I345 HydrophobicContact CD2-CD1 4.21Å; L210-I345 HydrophobicContact CG-CD1 4.43Å
211	K	91.6	Very high	92.3	Very high	112 Å²	112	37.3 Å²	37.3	49%	0.487	18%	0.184	S	C	.	.	H	α-helix	trans	-58.9	-39.9	171.3	-61.8	165.1	-158.7	162.5	0	110.3	P207 D208 Q214 M215	P207-K211 WeakPolarHBondContact O-CG 3.43Å; P207-K211 PolarHBondContact O-N 3.14Å; D208-K211 WeakPolarHBondContact O-CB 3.38Å; D208-K211 PolarHBondContact O-N 3.17Å; D208-K211 IonicContact OD1-NZ 2.61Å; D208-K211 PolarHBondContact OD1-NZ 2.9Å; K211-Q214 PolarHBondContact O-N 2.05Å; K211-M215 WeakPolarHBondContact O-CB 3.36Å; K211-M215 VanDerWaalsContact O-CG 3.28Å; K211-M215 WeakPolarHBondContact O-CG 3.36Å; K211-M215 PolarHBondContact O-N 3.27Å
212	Y	94.2	Very high	92.1	Very high	53 Å²	53	40 Å²	40	21%	0.208	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-43.4	177.7	-159.2	-104.4	0	0	0	112.8	D208 G209 L210 Q214 M215 K216 E266 K269 L270	D208-Y212 PolarHBondContact O-N 3.39Å; G209-Y212 WeakPolarHBondContact O-CA 3.45Å; G209-Y212 VanDerWaalsContact O-CB 3.3Å; G209-Y212 WeakPolarHBondContact O-CB 3.39Å; G209-Y212 PolarHBondContact O-N 2.98Å; G209-Y212 VanDerWaalsContact O-N 3.16Å; L210-Y212 PolarHBondContact O-N 3.13Å; Y212-Q214 VanDerWaalsContact C-N 3.33Å; Y212-Q214 PolarHBondContact O-N 3.43Å; Y212-M215 PolarHBondContact O-N 3.44Å; Y212-K216 HydrophobicContact CD1-CG 4.16Å; Y212-K216 HydrophobicContact CE1-CD 4.38Å; Y212-K216 HydrophobicContact CE1-CG 3.99Å; Y212-K216 WeakPolarHBondContact O-CB 3.02Å; Y212-K216 VanDerWaalsContact O-CG 3.27Å; Y212-K216 WeakPolarHBondContact O-CG 3.05Å; Y212-K216 PolarHBondContact O-N 3.05Å; Y212-K216 WeakPolarHBondContact OH-CE 3.48Å; Y212-K216 PolarHBondContact OH-NZ 2.92Å; Y212-E266 PolarHBondContact OH-OE1 3.03Å; Y212-K269 HydrophobicContact CD1-CB 4.2Å; Y212-K269 HydrophobicContact CE1-CB 4.18Å; Y212-K269 HydrophobicContact CE1-CD 3.85Å; Y212-K269 HydrophobicContact CE2-CD 4.18Å; Y212-L270 HydrophobicContact CD1-CD2 3.93Å
213	L	93.3	Very high	92.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-57.2	-45.8	172.8	-67.2	-179.8	0	0	0	111.8	G209 L210 K216 G217 W218 F257 L270	G209-L213 PolarHBondContact O-N 3.23Å; L210-L213 HydrophobicContact CD1-CD1 4.5Å; L210-L213 PolarHBondContact O-N 3.02Å; L213-K216 PolarHBondContact O-N 3.16Å; L213-G217 PolarHBondContact O-N 3.38Å; L213-W218 HydrophobicContact CD2-CB 4.13Å; L213-W218 HydrophobicContact CD2-CE3 3.91Å; L213-W218 PolarHBondContact O-N 3.27Å; L213-F257 HydrophobicContact CD1-CZ 4.5Å; L213-F257 HydrophobicContact CD2-CZ 3.94Å; L213-L270 HydrophobicContact CD2-CD1 3.77Å; L213-L270 HydrophobicContact CD2-CD2 3.58Å; L213-L270 HydrophobicContact CD2-CG 4.33Å; L213-L270 HydrophobicContact CG-CD2 3.87Å
214	Q	91.9	Very high	92.2	Very high	130 Å²	130	42.1 Å²	42.1	61%	0.607	21%	0.205	S	C	*	.	H	α-helix	trans	-63.7	-46.8	178.5	-69.1	174	-27.7	0	0	111.6	L210 K211 Y212 K216 G217	L210-Q214 WeakPolarHBondContact O-CG 3.45Å; L210-Q214 PolarHBondContact O-N 3.33Å; L210-Q214 VanDerWaalsContact O-N 3.13Å; K211-Q214 PolarHBondContact O-N 2.05Å; Y212-Q214 VanDerWaalsContact C-N 3.33Å; Y212-Q214 PolarHBondContact O-N 3.43Å; Q214-K216 PolarHBondContact O-N 2.83Å; Q214-G217 PolarHBondContact O-N 3.08Å; Q214-G217 VanDerWaalsContact O-N 3.11Å
215	M	94.7	Very high	92.2	Very high	160 Å²	160	42.5 Å²	42.5	79%	0.788	21%	0.207	S	C	*	.	H	α-helix	trans	-61.3	-27.1	176.1	-71.8	173.8	68	0	0	113.4	K211 Y212	K211-M215 WeakPolarHBondContact O-CB 3.36Å; K211-M215 VanDerWaalsContact O-CG 3.28Å; K211-M215 WeakPolarHBondContact O-CG 3.36Å; K211-M215 PolarHBondContact O-N 3.27Å; Y212-M215 PolarHBondContact O-N 3.44Å
216	K	93.6	Very high	92.1	Very high	81 Å²	81	45.2 Å²	45.2	35%	0.352	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-8.3	177.4	-72.5	-80.8	177.4	154.4	0	114.2	Y212 L213 Q214 W218 E266	Y212-K216 HydrophobicContact CD1-CG 4.16Å; Y212-K216 HydrophobicContact CE1-CD 4.38Å; Y212-K216 HydrophobicContact CE1-CG 3.99Å; Y212-K216 WeakPolarHBondContact O-CB 3.02Å; Y212-K216 VanDerWaalsContact O-CG 3.27Å; Y212-K216 WeakPolarHBondContact O-CG 3.05Å; Y212-K216 PolarHBondContact O-N 3.05Å; Y212-K216 WeakPolarHBondContact OH-CE 3.48Å; Y212-K216 PolarHBondContact OH-NZ 2.92Å; L213-K216 PolarHBondContact O-N 3.16Å; Q214-K216 PolarHBondContact O-N 2.83Å; K216-W218 HydrophobicContact CB-CB 4.33Å; K216-W218 HydrophobicContact CB-CD2 3.54Å; K216-W218 HydrophobicContact CB-CE3 4Å; K216-W218 HydrophobicContact CB-CG 3.67Å; K216-W218 HydrophobicContact CB-CZ2 4.34Å; K216-W218 HydrophobicContact CD-CH2 4.17Å; K216-W218 HydrophobicContact CD-CZ2 3.95Å; K216-W218 HydrophobicContact CG-CD2 4.16Å; K216-W218 HydrophobicContact CG-CE3 4.21Å; K216-W218 HydrophobicContact CG-CH2 4.34Å; K216-W218 HydrophobicContact CG-CZ2 4.31Å; K216-W218 HydrophobicContact CG-CZ3 4.29Å; K216-W218 PolarHBondContact O-N 2.86Å; K216-E266 VanDerWaalsContact CE-OE2 3.31Å; K216-E266 WeakPolarHBondContact CE-OE2 3.36Å; K216-E266 IonicContact NZ-OE2 2.72Å; K216-E266 PolarHBondContact NZ-OE2 3.16Å
217	G	92.8	Very high	92	Very high	28 Å²	28	45 Å²	45	29%	0.289	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	25.2	-171.3	0	0	0	0	0	113.3	L213 Q214 Q466	L213-G217 PolarHBondContact O-N 3.38Å; Q214-G217 PolarHBondContact O-N 3.08Å; Q214-G217 VanDerWaalsContact O-N 3.11Å; G217-Q466 VanDerWaalsContact O-CG 3.32Å; G217-Q466 WeakPolarHBondContact O-CG 3.49Å; G217-Q466 PolarHBondContact O-N 3.46Å
218	W	94.3	Very high	92.2	Very high	25 Å²	25	44 Å²	44	10%	0.095	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-91.3	148	-179	-67.1	-9	0	0	0	111.2	L213 K216 L261 P262 E266 I464 N465 Q466	L213-W218 HydrophobicContact CD2-CB 4.13Å; L213-W218 HydrophobicContact CD2-CE3 3.91Å; L213-W218 PolarHBondContact O-N 3.27Å; K216-W218 HydrophobicContact CB-CB 4.33Å; K216-W218 HydrophobicContact CB-CD2 3.54Å; K216-W218 HydrophobicContact CB-CE3 4Å; K216-W218 HydrophobicContact CB-CG 3.67Å; K216-W218 HydrophobicContact CB-CZ2 4.34Å; K216-W218 HydrophobicContact CD-CH2 4.17Å; K216-W218 HydrophobicContact CD-CZ2 3.95Å; K216-W218 HydrophobicContact CG-CD2 4.16Å; K216-W218 HydrophobicContact CG-CE3 4.21Å; K216-W218 HydrophobicContact CG-CH2 4.34Å; K216-W218 HydrophobicContact CG-CZ2 4.31Å; K216-W218 HydrophobicContact CG-CZ3 4.29Å; K216-W218 PolarHBondContact O-N 2.86Å; W218-L261 HydrophobicContact CD2-CD2 4.33Å; W218-L261 HydrophobicContact CE3-CD2 3.68Å; W218-L261 HydrophobicContact CH2-CD2 4.27Å; W218-L261 HydrophobicContact CZ3-CD2 3.66Å; W218-P262 HydrophobicContact CH2-CG 4.4Å; W218-E266 HydrophobicContact CH2-CB 4.09Å; W218-E266 HydrophobicContact CH2-CG 4.17Å; W218-E266 WeakPolarHBondContact CH2-OE2 3.43Å; W218-E266 HydrophobicContact CZ3-CB 4.37Å; W218-I464 WeakPolarHBondContact CA-O 3.16Å; W218-I464 HydrophobicContact CB-CG2 3.7Å; W218-I464 HydrophobicContact CD2-CG2 3.85Å; W218-I464 HydrophobicContact CG-CG2 3.43Å; W218-I464 VanDerWaalsContact CG-CG2 3.43Å; W218-N465 VanDerWaalsContact CD1-OD1 3.28Å; W218-N465 PolarHBondContact NE1-OD1 3.18Å; W218-Q466 PolarHBondContact O-NE2 2.88Å
219	K	92.7	Very high	92.3	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.035	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-69.3	154.7	172.6	-66.6	174.5	-158.3	166.4	0	110.4	H223 F224 D227 F257 F463 I464 N465 Q466 N468 C469	K219-H223 HydrophobicContact CB-CB 3.99Å; K219-H223 HydrophobicContact CG-CB 4.42Å; K219-F224 HydrophobicContact CB-CB 4.4Å; K219-D227 VanDerWaalsContact CD-OD2 3.28Å; K219-D227 WeakPolarHBondContact CD-OD2 3.27Å; K219-D227 WeakPolarHBondContact CE-OD2 3.08Å; K219-D227 IonicContact NZ-OD2 2.75Å; K219-D227 PolarHBondContact NZ-OD2 3.48Å; K219-F257 WeakPolarHBondContact O-CE2 3.47Å; K219-F463 VanDerWaalsContact CD-O 3.3Å; K219-F463 WeakPolarHBondContact CD-O 3.49Å; K219-F463 VanDerWaalsContact CE-O 3.24Å; K219-F463 WeakPolarHBondContact CE-O 3.43Å; K219-F463 PolarHBondContact NZ-O 3.15Å; K219-I464 WeakPolarHBondContact CG-O 3.32Å; K219-I464 PolarHBondContact N-O 3.34Å; K219-N465 WeakPolarHBondContact CE-O 3.07Å; K219-Q466 HydrophobicContact CG-CG 3.93Å; K219-N468 PolarHBondContact NZ-O 2.88Å; K219-C469 PolarHBondContact NZ-O 2.74Å
220	T	92.7	Very high	92.2	Very high	21 Å²	21	43.7 Å²	43.7	13%	0.129	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-71.3	158.9	165.8	69.3	0	0	0	0	110.2	L210 R222 H223 F224 I345	L210-T220 HydrophobicContact CD1-CG2 4.16Å; T220-R222 PolarHBondContact O-N 3Å; T220-H223 PolarHBondContact O-N 2.89Å; T220-H223 PolarHBondContact OG1-N 2.61Å; T220-H223 PolarHBondContact OG1-ND1 3.42Å; T220-F224 PolarHBondContact O-N 2.64Å; T220-I345 HydrophobicContact CG2-CB 4.15Å; T220-I345 HydrophobicContact CG2-CG2 4.08Å
221	P	93.2	Very high	92	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-51.3	-42.6	177.4	-26.1	32.2	0	0	0	113	I205 F224 V225 L254 F257 I345 D346 F348	I205-P221 HydrophobicContact CD1-CG 4.35Å; I205-P221 HydrophobicContact CG1-CG 4.2Å; P221-F224 PolarHBondContact O-N 2.93Å; P221-V225 WeakPolarHBondContact O-CG2 3.48Å; P221-V225 PolarHBondContact O-N 3.35Å; P221-L254 HydrophobicContact CB-CD1 4.18Å; P221-L254 HydrophobicContact CG-CD1 4.02Å; P221-F257 HydrophobicContact CB-CB 4.26Å; P221-F257 HydrophobicContact CB-CD1 4.08Å; P221-F257 HydrophobicContact CB-CD2 4.45Å; P221-F257 HydrophobicContact CB-CG 4Å; P221-F257 HydrophobicContact CG-CD1 3.7Å; P221-F257 HydrophobicContact CG-CE1 3.78Å; P221-F257 HydrophobicContact CG-CG 4.09Å; P221-F257 HydrophobicContact CG-CZ 4.24Å; P221-I345 WeakPolarHBondContact CD-O 3.41Å; P221-D346 HydrophobicContact CB-CB 4.38Å; P221-D346 HydrophobicContact CG-CB 4.21Å; P221-F348 HydrophobicContact CB-CE1 4.24Å; P221-F348 HydrophobicContact CB-CZ 3.71Å
222	R	90.7	Very high	92	Very high	61 Å²	61	37.8 Å²	37.8	23%	0.23	19%	0.19	C	C	.	.	H	α-helix	trans	-61.8	-43.7	175.1	-175.3	172	-167	175.1	14.7	113.5	T220 V225 L226 D343 C344 I345	T220-R222 PolarHBondContact O-N 3Å; R222-V225 PolarHBondContact O-N 3.45Å; R222-L226 HydrophobicContact CG-CD1 4.04Å; R222-L226 WeakPolarHBondContact O-CB 3.38Å; R222-L226 VanDerWaalsContact O-CG 3.24Å; R222-L226 WeakPolarHBondContact O-CG 3.32Å; R222-L226 PolarHBondContact O-N 3.42Å; R222-D343 WeakPolarHBondContact CD-OD1 3.38Å; R222-D343 IonicContact CZ-OD1 2.71Å; R222-D343 IonicContact NE-OD1 2.65Å; R222-D343 IonicContact NH1-OD1 2.63Å; R222-D343 PolarHBondContact NH1-OD1 2.88Å; R222-C344 WeakPolarHBondContact CD-O 3Å; R222-C344 PolarHBondContact NH1-O 3.21Å; R222-I345 VanDerWaalsContact CB-O 3.24Å; R222-I345 WeakPolarHBondContact CB-O 3.05Å; R222-I345 PolarHBondContact N-O 2.93Å
223	H	91.2	Very high	91.7	Very high	80 Å²	80	39.6 Å²	39.6	37%	0.37	20%	0.2	S	C	.	.	H	α-helix	trans	-67.5	-40.4	178.3	-77.9	89.8	0	0	0	112	K219 T220 L226 D227	K219-H223 HydrophobicContact CB-CB 3.99Å; K219-H223 HydrophobicContact CG-CB 4.42Å; T220-H223 PolarHBondContact O-N 2.89Å; T220-H223 PolarHBondContact OG1-N 2.61Å; T220-H223 PolarHBondContact OG1-ND1 3.42Å; H223-L226 PolarHBondContact O-N 3.3Å; H223-D227 PolarHBondContact O-N 3.4Å
224	F	93.3	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-48	172.8	166.7	-86.7	0	0	0	111.7	K219 T220 P221 D227 I228 G256 F257 S260 L460 F463 I464	K219-F224 HydrophobicContact CB-CB 4.4Å; T220-F224 PolarHBondContact O-N 2.64Å; P221-F224 PolarHBondContact O-N 2.93Å; F224-D227 PolarHBondContact O-N 2.82Å; F224-I228 HydrophobicContact CD1-CD1 3.72Å; F224-I228 HydrophobicContact CD2-CD1 3.78Å; F224-I228 HydrophobicContact CE1-CD1 3.28Å; F224-I228 HydrophobicContact CE2-CD1 3.37Å; F224-I228 HydrophobicContact CG-CD1 3.94Å; F224-I228 HydrophobicContact CZ-CD1 3.09Å; F224-I228 WeakPolarHBondContact O-CB 3.48Å; F224-I228 PolarHBondContact O-N 3.32Å; F224-G256 WeakPolarHBondContact CZ-O 3.41Å; F224-F257 HydrophobicContact CB-CD2 3.75Å; F224-F257 HydrophobicContact CB-CE2 4.34Å; F224-F257 HydrophobicContact CD1-CB 3.72Å; F224-F257 AromaticContact CD1-CD2 3.94Å; F224-F257 HydrophobicContact CD1-CD2 3.94Å; F224-F257 HydrophobicContact CD1-CG 4.34Å; F224-F257 HydrophobicContact CD2-CD2 4.04Å; F224-F257 HydrophobicContact CE1-CB 3.85Å; F224-F257 VanDerWaalsContact CE1-N 3.33Å; F224-F257 HydrophobicContact CG-CB 4.33Å; F224-F257 AromaticContact CG-CD2 3.66Å; F224-F257 HydrophobicContact CG-CD2 3.66Å; F224-F257 HydrophobicContact CG-CG 4.5Å; F224-S260 VanDerWaalsContact CZ-OG 3.29Å; F224-S260 WeakPolarHBondContact CZ-OG 3.45Å; F224-L460 HydrophobicContact CE2-CB 4.3Å; F224-L460 HydrophobicContact CZ-CB 4.25Å; F224-F463 HydrophobicContact CD2-CB 4.02Å; F224-F463 HydrophobicContact CE2-CB 3.94Å; F224-I464 HydrophobicContact CD2-CG1 4.4Å; F224-I464 HydrophobicContact CE2-CG1 4.31Å
225	V	92.4	Very high	91.1	Very high	15 Å²	15	39 Å²	39	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-38.7	177.4	166.6	0	0	0	0	112.1	P221 R222 I228 A229 F252 F348	P221-V225 WeakPolarHBondContact O-CG2 3.48Å; P221-V225 PolarHBondContact O-N 3.35Å; R222-V225 PolarHBondContact O-N 3.45Å; V225-I228 PolarHBondContact O-N 2.96Å; V225-A229 VanDerWaalsContact O-CB 3.3Å; V225-A229 WeakPolarHBondContact O-CB 3.3Å; V225-A229 PolarHBondContact O-N 2.94Å; V225-F252 HydrophobicContact CG1-CB 3.72Å; V225-F252 HydrophobicContact CG1-CG 4.25Å; V225-F348 HydrophobicContact CB-CD1 4.27Å; V225-F348 HydrophobicContact CB-CE1 4.1Å; V225-F348 HydrophobicContact CG1-CD1 4.24Å; V225-F348 HydrophobicContact CG2-CD1 3.99Å; V225-F348 HydrophobicContact CG2-CE1 3.56Å
226	L	90.5	Very high	90.7	Very high	61 Å²	61	32.1 Å²	32.1	32%	0.319	16%	0.16	S	C	.	.	H	α-helix	trans	-62.1	-43.7	176.2	-76.4	167.1	0	0	0	112.2	R222 H223 T230	R222-L226 HydrophobicContact CG-CD1 4.04Å; R222-L226 WeakPolarHBondContact O-CB 3.38Å; R222-L226 VanDerWaalsContact O-CG 3.24Å; R222-L226 WeakPolarHBondContact O-CG 3.32Å; R222-L226 PolarHBondContact O-N 3.42Å; H223-L226 PolarHBondContact O-N 3.3Å; L226-T230 PolarHBondContact O-N 3.43Å; L226-T230 VanDerWaalsContact O-N 3.14Å; L226-T230 PolarHBondContact O-OG1 3.02Å; L226-T230 VanDerWaalsContact O-OG1 3.13Å
227	D	90.2	Very high	90.3	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-44.7	175.1	-74.2	-27.7	0	0	0	111.6	K219 H223 F224 T230 Y231 R471	K219-D227 VanDerWaalsContact CD-OD2 3.28Å; K219-D227 WeakPolarHBondContact CD-OD2 3.27Å; K219-D227 WeakPolarHBondContact CE-OD2 3.08Å; K219-D227 IonicContact NZ-OD2 2.75Å; K219-D227 PolarHBondContact NZ-OD2 3.48Å; H223-D227 PolarHBondContact O-N 3.4Å; F224-D227 PolarHBondContact O-N 2.82Å; D227-T230 PolarHBondContact O-N 3.23Å; D227-Y231 WeakPolarHBondContact O-CD2 3.42Å; D227-Y231 PolarHBondContact O-N 3.3Å; D227-R471 VanDerWaalsContact OD1-CB 3.23Å; D227-R471 WeakPolarHBondContact OD1-CB 3.13Å; D227-R471 WeakPolarHBondContact OD1-CD 3.35Å; D227-R471 WeakPolarHBondContact OD1-CG 3.35Å; D227-R471 PolarHBondContact OD1-N 3.37Å
228	I	90.8	Very high	90	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.6	-37.9	-178.8	-81.3	161.2	0	0	0	112.5	F224 V225 Y231 A232 F252 L460 F463 F484	F224-I228 HydrophobicContact CD1-CD1 3.72Å; F224-I228 HydrophobicContact CD2-CD1 3.78Å; F224-I228 HydrophobicContact CE1-CD1 3.28Å; F224-I228 HydrophobicContact CE2-CD1 3.37Å; F224-I228 HydrophobicContact CG-CD1 3.94Å; F224-I228 HydrophobicContact CZ-CD1 3.09Å; F224-I228 WeakPolarHBondContact O-CB 3.48Å; F224-I228 PolarHBondContact O-N 3.32Å; V225-I228 PolarHBondContact O-N 2.96Å; I228-Y231 PolarHBondContact O-N 3.41Å; I228-A232 VanDerWaalsContact O-CB 3.32Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.37Å; I228-F252 HydrophobicContact CG2-CD1 3.84Å; I228-F252 HydrophobicContact CG2-CE1 3.73Å; I228-L460 HydrophobicContact CD1-CB 4.27Å; I228-L460 HydrophobicContact CD1-CD1 3.49Å; I228-L460 VanDerWaalsContact CD1-CD1 3.49Å; I228-L460 HydrophobicContact CG1-CD1 3.98Å; I228-L460 HydrophobicContact CG2-CD1 4.42Å; I228-F463 HydrophobicContact CD1-CB 4.03Å; I228-F463 HydrophobicContact CD1-CD1 4.3Å; I228-F463 HydrophobicContact CD1-CG 4.17Å; I228-F463 HydrophobicContact CG1-CB 4.28Å; I228-F463 HydrophobicContact CG1-CD1 3.62Å; I228-F463 HydrophobicContact CG1-CE1 4.06Å; I228-F463 HydrophobicContact CG1-CG 3.95Å; I228-F484 HydrophobicContact CB-CE2 4.39Å; I228-F484 HydrophobicContact CG1-CE2 4.22Å; I228-F484 HydrophobicContact CG2-CE2 3.92Å; I228-F484 HydrophobicContact CG2-CZ 4.2Å
229	A	91.1	Very high	89.6	Confident	24 Å²	24	41.7 Å²	41.7	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-42	173.4	0	0	0	0	0	111.6	V225 A232 Q233 F252	V225-A229 VanDerWaalsContact O-CB 3.3Å; V225-A229 WeakPolarHBondContact O-CB 3.3Å; V225-A229 PolarHBondContact O-N 2.94Å; A229-A232 PolarHBondContact O-N 2.78Å; A229-Q233 WeakPolarHBondContact O-CB 3.49Å; A229-Q233 PolarHBondContact O-N 3.2Å; A229-F252 HydrophobicContact CB-CD1 4.45Å; A229-F252 HydrophobicContact CB-CD2 4.4Å; A229-F252 HydrophobicContact CB-CE1 4.11Å; A229-F252 HydrophobicContact CB-CE2 4.05Å; A229-F252 HydrophobicContact CB-CZ 3.91Å
230	T	89.5	Confident	89.4	Confident	38 Å²	38	49.6 Å²	49.6	23%	0.233	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-42	174.2	-65.1	0	0	0	0	112.3	L226 D227 Y234 R471 F474	L226-T230 PolarHBondContact O-N 3.43Å; L226-T230 VanDerWaalsContact O-N 3.14Å; L226-T230 PolarHBondContact O-OG1 3.02Å; L226-T230 VanDerWaalsContact O-OG1 3.13Å; D227-T230 PolarHBondContact O-N 3.23Å; T230-Y234 PolarHBondContact O-N 3.36Å; T230-R471 HydrophobicContact CG2-CB 3.94Å; T230-F474 HydrophobicContact CG2-CE1 4.46Å; T230-F474 HydrophobicContact CG2-CE2 3.84Å; T230-F474 HydrophobicContact CG2-CZ 3.41Å; T230-F474 VanDerWaalsContact CG2-CZ 3.41Å
231	Y	88.4	Confident	89.2	Confident	2 Å²	2	52.3 Å²	52.3	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-68.5	-38.5	174.7	-87.8	-111.2	0	0	0	112.4	D227 I228 Y234 I235 F463 L476 C480	D227-Y231 WeakPolarHBondContact O-CD2 3.42Å; D227-Y231 PolarHBondContact O-N 3.3Å; I228-Y231 PolarHBondContact O-N 3.41Å; Y231-Y234 PolarHBondContact O-N 3.24Å; Y231-I235 HydrophobicContact CD1-CD1 4.44Å; Y231-I235 WeakPolarHBondContact O-CB 3.13Å; Y231-I235 WeakPolarHBondContact O-CD1 3.42Å; Y231-I235 WeakPolarHBondContact O-CG1 3.46Å; Y231-I235 PolarHBondContact O-N 2.92Å; Y231-F463 HydrophobicContact CD1-CE1 4.05Å; Y231-F463 AromaticContact CD1-CZ 3.99Å; Y231-F463 HydrophobicContact CD1-CZ 3.99Å; Y231-F463 AromaticContact CD2-CE1 3.98Å; Y231-F463 HydrophobicContact CD2-CE1 3.98Å; Y231-F463 HydrophobicContact CE1-CE1 4.39Å; Y231-F463 HydrophobicContact CE1-CZ 4.36Å; Y231-F463 HydrophobicContact CE2-CE1 4.33Å; Y231-F463 AromaticContact CG-CE1 3.83Å; Y231-F463 HydrophobicContact CG-CE1 3.83Å; Y231-F463 HydrophobicContact CG-CZ 4.18Å; Y231-L476 HydrophobicContact CE1-CD1 4.03Å; Y231-C480 HydrophobicContact CE1-CB 3.8Å
232	A	90.6	Very high	89	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-42.5	176	0	0	0	0	0	112.2	I228 A229 F236 Y245 A248 F252 F484	I228-A232 VanDerWaalsContact O-CB 3.32Å; I228-A232 WeakPolarHBondContact O-CB 3.42Å; I228-A232 PolarHBondContact O-N 3.37Å; A229-A232 PolarHBondContact O-N 2.78Å; A232-F236 WeakPolarHBondContact O-CB 3.24Å; A232-F236 PolarHBondContact O-N 2.92Å; A232-Y245 HydrophobicContact CB-CD2 4.01Å; A232-Y245 HydrophobicContact CB-CE2 4.03Å; A232-A248 HydrophobicContact CB-CB 3.87Å; A232-F252 HydrophobicContact CB-CE1 4.11Å; A232-F252 HydrophobicContact CB-CZ 3.8Å; A232-F484 HydrophobicContact CB-CE1 4.07Å; A232-F484 HydrophobicContact CB-CZ 3.88Å
233	Q	88.9	Confident	88.9	Confident	91 Å²	91	60.3 Å²	60.3	43%	0.425	29%	0.287	S	S	.	.	H	α-helix	trans	-59.6	-54.4	176.8	-175.2	-179.6	-10.7	0	0	110.7	A229 I235 F236 Y237 D238 Y245	A229-Q233 WeakPolarHBondContact O-CB 3.49Å; A229-Q233 PolarHBondContact O-N 3.2Å; Q233-I235 PolarHBondContact O-N 3.13Å; Q233-F236 PolarHBondContact O-N 2.81Å; Q233-Y237 HydrophobicContact CG-CD1 4.14Å; Q233-Y237 HydrophobicContact CG-CG 4.32Å; Q233-Y237 WeakPolarHBondContact O-CB 3.31Å; Q233-Y237 PolarHBondContact O-N 2.91Å; Q233-D238 PolarHBondContact O-N 2.75Å; Q233-Y245 HydrophobicContact CB-CE2 4.43Å
234	Y	85.6	Confident	88.7	Confident	107 Å²	107	59 Å²	59	42%	0.42	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-37.7	-179.3	178.7	-94.1	0	0	0	113.9	T230 Y231 F474 L476	T230-Y234 PolarHBondContact O-N 3.36Å; Y231-Y234 PolarHBondContact O-N 3.24Å; Y234-F474 HydrophobicContact CD2-CE1 4.46Å; Y234-F474 HydrophobicContact CG-CE1 4.31Å; Y234-L476 HydrophobicContact CD1-CD1 3.97Å; Y234-L476 HydrophobicContact CD1-CD2 4.38Å; Y234-L476 HydrophobicContact CE1-CD1 3.83Å; Y234-L476 HydrophobicContact CE1-CD2 3.48Å; Y234-L476 VanDerWaalsContact CE1-CD2 3.48Å; Y234-L476 HydrophobicContact CE1-CG 4.32Å
235	I	85.3	Confident	88.6	Confident	12 Å²	12	61.7 Å²	61.7	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-81.4	-34.1	-177	-63.9	169	0	0	0	112	Y231 Q233 Q239 I481 F484	Y231-I235 HydrophobicContact CD1-CD1 4.44Å; Y231-I235 WeakPolarHBondContact O-CB 3.13Å; Y231-I235 WeakPolarHBondContact O-CD1 3.42Å; Y231-I235 WeakPolarHBondContact O-CG1 3.46Å; Y231-I235 PolarHBondContact O-N 2.92Å; Q233-I235 PolarHBondContact O-N 3.13Å; I235-Q239 WeakPolarHBondContact O-CG 3.35Å; I235-Q239 PolarHBondContact O-NE2 3.08Å; I235-Q239 PolarHBondContact O-OE1 3.33Å; I235-I481 HydrophobicContact CD1-CG2 4.31Å; I235-F484 HydrophobicContact CD1-CB 4.09Å; I235-F484 HydrophobicContact CD1-CD1 3.7Å; I235-F484 HydrophobicContact CD1-CE1 4.47Å; I235-F484 HydrophobicContact CD1-CG 4.05Å
236	F	87.9	Confident	88.4	Confident	15 Å²	15	65.3 Å²	65.3	7%	0.066	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-52	-168.6	-62.2	-69.9	0	0	0	114.6	A232 Q233 D238 Q239 Q240 K241 E244 F484 I488	A232-F236 WeakPolarHBondContact O-CB 3.24Å; A232-F236 PolarHBondContact O-N 2.92Å; Q233-F236 PolarHBondContact O-N 2.81Å; F236-D238 PolarHBondContact O-N 3.42Å; F236-Q239 CarbonylContact O-C 3.52Å; F236-Q239 WeakPolarHBondContact O-CA 3.5Å; F236-Q239 PolarHBondContact O-N 2.82Å; F236-Q240 PolarHBondContact O-N 2.88Å; F236-Q240 VanDerWaalsContact O-N 3.17Å; F236-K241 HydrophobicContact CB-CB 3.95Å; F236-K241 HydrophobicContact CD1-CB 3.83Å; F236-K241 HydrophobicContact CD1-CD 3.9Å; F236-K241 HydrophobicContact CE1-CD 4.48Å; F236-K241 HydrophobicContact CG-CB 4.4Å; F236-K241 WeakPolarHBondContact O-CB 3.24Å; F236-K241 PolarHBondContact O-N 3.19Å; F236-E244 HydrophobicContact CD1-CB 3.38Å; F236-E244 HydrophobicContact CD1-CG 4.1Å; F236-E244 HydrophobicContact CD2-CB 4.46Å; F236-E244 HydrophobicContact CE1-CB 3.53Å; F236-E244 HydrophobicContact CE1-CG 3.99Å; F236-E244 HydrophobicContact CG-CB 3.89Å; F236-E244 HydrophobicContact CZ-CB 4.16Å; F236-F484 HydrophobicContact CD2-CE1 4.33Å; F236-F484 AromaticContact CE2-CD1 3.94Å; F236-F484 HydrophobicContact CE2-CD1 3.94Å; F236-F484 AromaticContact CE2-CE1 3.86Å; F236-F484 HydrophobicContact CE2-CE1 3.86Å; F236-I488 HydrophobicContact CE2-CD1 3.88Å; F236-I488 HydrophobicContact CE2-CG1 3.64Å; F236-I488 HydrophobicContact CZ-CB 4.22Å; F236-I488 HydrophobicContact CZ-CD1 4.29Å; F236-I488 HydrophobicContact CZ-CG1 3.72Å; F236-I488 HydrophobicContact CZ-CG2 4.03Å
237	Y	84.9	Confident	88.3	Confident	135 Å²	135	62.5 Å²	62.5	53%	0.529	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-61.1	-47.8	-177	-173.6	-91.9	0	0	0	111.3	Q233 Q239 Q240 Y245	Q233-Y237 HydrophobicContact CG-CD1 4.14Å; Q233-Y237 HydrophobicContact CG-CG 4.32Å; Q233-Y237 WeakPolarHBondContact O-CB 3.31Å; Q233-Y237 PolarHBondContact O-N 2.91Å; Y237-Q239 PolarHBondContact O-N 3.33Å; Y237-Q239 VanDerWaalsContact O-N 3.13Å; Y237-Q240 PolarHBondContact O-N 3.13Å; Y237-Y245 HydrophobicContact CD2-CD1 4.4Å; Y237-Y245 HydrophobicContact CD2-CE1 4.44Å
238	D	85.9	Confident	88.3	Confident	97 Å²	97	62.2 Å²	62.2	52%	0.519	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-67.6	-13	177.9	-59.7	-10.5	0	0	0	112.4	Q233 F236	Q233-D238 PolarHBondContact O-N 2.75Å; F236-D238 PolarHBondContact O-N 3.42Å
239	Q	86.7	Confident	88.2	Confident	103 Å²	103	64.5 Å²	64.5	48%	0.481	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-103.1	11.5	173.6	-57.8	-168.7	11.4	0	0	113.3	I235 F236 Y237 K241	I235-Q239 WeakPolarHBondContact O-CG 3.35Å; I235-Q239 PolarHBondContact O-NE2 3.08Å; I235-Q239 PolarHBondContact O-OE1 3.33Å; F236-Q239 CarbonylContact O-C 3.52Å; F236-Q239 WeakPolarHBondContact O-CA 3.5Å; F236-Q239 PolarHBondContact O-N 2.82Å; Y237-Q239 PolarHBondContact O-N 3.33Å; Y237-Q239 VanDerWaalsContact O-N 3.13Å; Q239-K241 HydrophobicContact CB-CD 4.08Å; Q239-K241 HydrophobicContact CB-CG 4.36Å; Q239-K241 PolarHBondContact O-N 3.41Å; Q239-K241 VanDerWaalsContact O-N 3.16Å
240	Q	86.9	Confident	87.9	Confident	174 Å²	174	65.6 Å²	65.6	81%	0.813	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.7	-175.9	-57	-176.6	-9.8	0	0	115.2	F236 Y237 I242	F236-Q240 PolarHBondContact O-N 2.88Å; F236-Q240 VanDerWaalsContact O-N 3.17Å; Y237-Q240 PolarHBondContact O-N 3.13Å; Q240-I242 VanDerWaalsContact C-N 3.28Å; Q240-I242 PolarHBondContact O-N 3.07Å
241	K	89.2	Confident	87.8	Confident	77 Å²	77	63.9 Å²	63.9	34%	0.335	31%	0.309	S	S	.	.			trans	-84.9	67.6	179.1	-75.3	169.5	-176.2	166.1	0	111.2	F236 Q239 E243 E244 Y245	F236-K241 HydrophobicContact CB-CB 3.95Å; F236-K241 HydrophobicContact CD1-CB 3.83Å; F236-K241 HydrophobicContact CD1-CD 3.9Å; F236-K241 HydrophobicContact CE1-CD 4.48Å; F236-K241 HydrophobicContact CG-CB 4.4Å; F236-K241 WeakPolarHBondContact O-CB 3.24Å; F236-K241 PolarHBondContact O-N 3.19Å; Q239-K241 HydrophobicContact CB-CD 4.08Å; Q239-K241 HydrophobicContact CB-CG 4.36Å; Q239-K241 PolarHBondContact O-N 3.41Å; Q239-K241 VanDerWaalsContact O-N 3.16Å; K241-E243 VanDerWaalsContact C-N 3.32Å; K241-E243 PolarHBondContact O-N 3.26Å; K241-E244 WeakPolarHBondContact CB-OE2 3.36Å; K241-E244 WeakPolarHBondContact CD-OE1 3.48Å; K241-E244 WeakPolarHBondContact CG-OE1 3.28Å; K241-Y245 WeakPolarHBondContact O-CB 3.18Å; K241-Y245 PolarHBondContact O-N 2.88Å
242	I	89.1	Confident	87.9	Confident	100 Å²	100	65.6 Å²	65.6	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-66.5	-33.7	-171.6	-64.4	168.5	0	0	0	111.4	Q240 Y245 N246	Q240-I242 VanDerWaalsContact C-N 3.28Å; Q240-I242 PolarHBondContact O-N 3.07Å; I242-Y245 PolarHBondContact O-N 2.95Å; I242-N246 VanDerWaalsContact O-CB 3.31Å; I242-N246 WeakPolarHBondContact O-CB 3.35Å; I242-N246 PolarHBondContact O-N 3.08Å; I242-N246 PolarHBondContact O-ND2 3.41Å
243	E	87.9	Confident	88	Confident	130 Å²	130	65.9 Å²	65.9	61%	0.607	32%	0.319	S	S	*	.	H	α-helix	trans	-68.6	-46.2	178.6	-63.2	-160.8	156.8	0	0	112.3	K241 Y245 N246 A247	K241-E243 VanDerWaalsContact C-N 3.32Å; K241-E243 PolarHBondContact O-N 3.26Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 3.32Å; E243-N246 CarbonylContact O-C 3.43Å; E243-N246 PolarHBondContact O-N 3.2Å; E243-A247 PolarHBondContact O-N 3.35Å
244	E	87.7	Confident	88.3	Confident	53 Å²	53	61.8 Å²	61.8	25%	0.248	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-33.2	175.9	-57.2	101.4	114.5	0	0	112.2	F236 K241 A247 A248 I488 M492	F236-E244 HydrophobicContact CD1-CB 3.38Å; F236-E244 HydrophobicContact CD1-CG 4.1Å; F236-E244 HydrophobicContact CD2-CB 4.46Å; F236-E244 HydrophobicContact CE1-CB 3.53Å; F236-E244 HydrophobicContact CE1-CG 3.99Å; F236-E244 HydrophobicContact CG-CB 3.89Å; F236-E244 HydrophobicContact CZ-CB 4.16Å; K241-E244 WeakPolarHBondContact CB-OE2 3.36Å; K241-E244 WeakPolarHBondContact CD-OE1 3.48Å; K241-E244 WeakPolarHBondContact CG-OE1 3.28Å; E244-A247 PolarHBondContact O-N 2.93Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.87Å; E244-I488 HydrophobicContact CB-CG2 4.23Å; E244-I488 HydrophobicContact CG-CG2 4.4Å; E244-M492 HydrophobicContact CG-CE 4.47Å
245	Y	90.5	Very high	88.6	Confident	56 Å²	56	57.1 Å²	57.1	22%	0.22	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-42.9	171.2	-179.1	-96.9	0	0	0	112	A232 Q233 Y237 K241 I242 E243 A247 A248 S249 F252	A232-Y245 HydrophobicContact CB-CD2 4.01Å; A232-Y245 HydrophobicContact CB-CE2 4.03Å; Q233-Y245 HydrophobicContact CB-CE2 4.43Å; Y237-Y245 HydrophobicContact CD2-CD1 4.4Å; Y237-Y245 HydrophobicContact CD2-CE1 4.44Å; K241-Y245 WeakPolarHBondContact O-CB 3.18Å; K241-Y245 PolarHBondContact O-N 2.88Å; I242-Y245 PolarHBondContact O-N 2.95Å; E243-Y245 VanDerWaalsContact C-N 3.33Å; E243-Y245 PolarHBondContact O-N 3.32Å; Y245-A247 VanDerWaalsContact C-N 3.27Å; Y245-A247 PolarHBondContact O-N 2.92Å; Y245-A248 WeakPolarHBondContact O-CB 3.34Å; Y245-A248 PolarHBondContact O-N 2.82Å; Y245-S249 PolarHBondContact O-N 2.84Å; Y245-S249 VanDerWaalsContact O-N 3.08Å; Y245-F252 HydrophobicContact CE2-CZ 4.42Å
246	N	89.1	Confident	89	Confident	90 Å²	90	56.6 Å²	56.6	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-69.8	-23.4	175.5	-70.8	-17.3	0	0	0	112.8	I242 E243 S249	I242-N246 VanDerWaalsContact O-CB 3.31Å; I242-N246 WeakPolarHBondContact O-CB 3.35Å; I242-N246 PolarHBondContact O-N 3.08Å; I242-N246 PolarHBondContact O-ND2 3.41Å; E243-N246 CarbonylContact O-C 3.43Å; E243-N246 PolarHBondContact O-N 3.2Å; N246-S249 PolarHBondContact O-OG 2.83Å
247	A	88.6	Confident	89.4	Confident	3 Å²	3	55.9 Å²	55.9	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-76.7	-41	167.7	0	0	0	0	0	111.6	E243 E244 Y245 S249 A250 I491 M492	E243-A247 PolarHBondContact O-N 3.35Å; E244-A247 PolarHBondContact O-N 2.93Å; Y245-A247 VanDerWaalsContact C-N 3.27Å; Y245-A247 PolarHBondContact O-N 2.92Å; A247-S249 PolarHBondContact O-N 2.68Å; A247-A250 WeakPolarHBondContact O-CB 3.49Å; A247-A250 PolarHBondContact O-N 3.49Å; A247-I491 HydrophobicContact CB-CG2 4.19Å; A247-I491 WeakPolarHBondContact O-CG2 3.32Å; A247-M492 HydrophobicContact CB-CG 4.29Å; A247-M492 HydrophobicContact CB-SD 3.45Å; A247-M492 WeakPolarHBondContact CB-SD 3.34Å
248	A	89.8	Confident	89.9	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-36.6	177	0	0	0	0	0	112.4	A232 E244 Y245 A250 A251 F484 F487 I488	A232-A248 HydrophobicContact CB-CB 3.87Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.87Å; Y245-A248 WeakPolarHBondContact O-CB 3.34Å; Y245-A248 PolarHBondContact O-N 2.82Å; A248-A250 PolarHBondContact O-N 3.06Å; A248-A250 VanDerWaalsContact O-N 3.16Å; A248-A251 PolarHBondContact O-N 2.7Å; A248-F484 HydrophobicContact CB-CE1 4.44Å; A248-F484 HydrophobicContact CB-CZ 4.44Å; A248-F487 HydrophobicContact CB-CE1 4.32Å; A248-I488 HydrophobicContact CB-CD1 3.53Å
249	S	89.4	Confident	90.3	Very high	47 Å²	47	44.9 Å²	44.9	33%	0.329	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.1	-177.4	69.9	0	0	0	0	114.5	Y245 N246 A247 A251 F252	Y245-S249 PolarHBondContact O-N 2.84Å; Y245-S249 VanDerWaalsContact O-N 3.08Å; N246-S249 PolarHBondContact O-OG 2.83Å; A247-S249 PolarHBondContact O-N 2.68Å; S249-A251 PolarHBondContact O-N 3.06Å; S249-F252 VanDerWaalsContact O-CB 3.3Å; S249-F252 WeakPolarHBondContact O-CB 3.49Å; S249-F252 PolarHBondContact O-N 3.13Å
250	A	83.7	Confident	90.7	Very high	48 Å²	48	40.1 Å²	40.1	40%	0.397	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-59.4	-28.4	169.4	0	0	0	0	0	112.8	A247 A248 F252 S253 I491	A247-A250 WeakPolarHBondContact O-CB 3.49Å; A247-A250 PolarHBondContact O-N 3.49Å; A248-A250 PolarHBondContact O-N 3.06Å; A248-A250 VanDerWaalsContact O-N 3.16Å; A250-F252 VanDerWaalsContact C-N 3.35Å; A250-S253 PolarHBondContact O-OG 3.35Å; A250-I491 HydrophobicContact CB-CG2 4.41Å
251	A	87.5	Confident	91.1	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-85.8	0.5	174.2	0	0	0	0	0	114	A248 S249 S253 T458 L460 F487	A248-A251 PolarHBondContact O-N 2.7Å; S249-A251 PolarHBondContact O-N 3.06Å; A251-S253 PolarHBondContact O-N 3.15Å; A251-T458 HydrophobicContact CB-CG2 4.06Å; A251-L460 HydrophobicContact CB-CD1 4.5Å; A251-F487 HydrophobicContact CB-CE1 4.38Å; A251-F487 HydrophobicContact CB-CE2 3.69Å; A251-F487 HydrophobicContact CB-CZ 3.38Å
252	F	91.6	Very high	91.2	Very high	39 Å²	39	32.5 Å²	32.5	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-80.6	38.7	176.4	-57.2	-3.4	0	0	0	111.6	V225 I228 A229 A232 Y245 S249 A250	V225-F252 HydrophobicContact CG1-CB 3.72Å; V225-F252 HydrophobicContact CG1-CG 4.25Å; I228-F252 HydrophobicContact CG2-CD1 3.84Å; I228-F252 HydrophobicContact CG2-CE1 3.73Å; A229-F252 HydrophobicContact CB-CD1 4.45Å; A229-F252 HydrophobicContact CB-CD2 4.4Å; A229-F252 HydrophobicContact CB-CE1 4.11Å; A229-F252 HydrophobicContact CB-CE2 4.05Å; A229-F252 HydrophobicContact CB-CZ 3.91Å; A232-F252 HydrophobicContact CB-CE1 4.11Å; A232-F252 HydrophobicContact CB-CZ 3.8Å; Y245-F252 HydrophobicContact CE2-CZ 4.42Å; S249-F252 VanDerWaalsContact O-CB 3.3Å; S249-F252 WeakPolarHBondContact O-CB 3.49Å; S249-F252 PolarHBondContact O-N 3.13Å; A250-F252 VanDerWaalsContact C-N 3.35Å
253	S	92.7	Very high	91.3	Very high	6 Å²	6	30.4 Å²	30.4	4%	0.042	17%	0.169	C	C	.	.	S	Bend	trans	-139.2	166.2	-164.4	61	0	0	0	0	110.8	A250 A251 A255 G256 F257 E351	A250-S253 PolarHBondContact O-OG 3.35Å; A251-S253 PolarHBondContact O-N 3.15Å; S253-A255 PolarHBondContact O-N 3.06Å; S253-A255 PolarHBondContact OG-N 3.28Å; S253-G256 PolarHBondContact O-N 3.09Å; S253-G256 PolarHBondContact OG-N 3.05Å; S253-F257 PolarHBondContact O-N 3.17Å; S253-E351 VanDerWaalsContact CB-OE1 3.26Å; S253-E351 WeakPolarHBondContact CB-OE1 3.39Å
254	L	93.4	Very high	91.5	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-35.6	169.3	-170.1	77.6	0	0	0	111.3	P204 I205 P221 G256 F257 L258 Q309 F348	P204-L254 HydrophobicContact CB-CD2 3.62Å; P204-L254 HydrophobicContact CG-CD1 3.92Å; P204-L254 HydrophobicContact CG-CD2 3.59Å; P204-L254 HydrophobicContact CG-CG 4.38Å; I205-L254 HydrophobicContact CD1-CD1 4.45Å; P221-L254 HydrophobicContact CB-CD1 4.18Å; P221-L254 HydrophobicContact CG-CD1 4.02Å; L254-G256 PolarHBondContact O-N 2.81Å; L254-F257 PolarHBondContact O-N 3.34Å; L254-L258 HydrophobicContact CD2-CD1 3.73Å; L254-L258 HydrophobicContact CG-CD1 3.7Å; L254-L258 HydrophobicContact CG-CG 4.05Å; L254-L258 WeakPolarHBondContact O-CB 3.16Å; L254-L258 WeakPolarHBondContact O-CG 3.17Å; L254-L258 PolarHBondContact O-N 3.42Å; L254-Q309 WeakPolarHBondContact CD2-O 3.46Å; L254-F348 HydrophobicContact CB-CE2 3.96Å; L254-F348 HydrophobicContact CB-CZ 4.35Å
255	A	93.4	Very high	91.7	Very high	9 Å²	9	28.4 Å²	28.4	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-59.1	-48	-179.1	0	0	0	0	0	111.5	S253 F257 L258 E259 A308	S253-A255 PolarHBondContact O-N 3.06Å; S253-A255 PolarHBondContact OG-N 3.28Å; A255-F257 PolarHBondContact O-N 3.22Å; A255-L258 PolarHBondContact O-N 3.17Å; A255-E259 VanDerWaalsContact O-CB 3.28Å; A255-E259 WeakPolarHBondContact O-CB 3.32Å; A255-E259 WeakPolarHBondContact O-CG 3.46Å; A255-E259 PolarHBondContact O-N 2.77Å; A255-A308 HydrophobicContact CB-CB 3.93Å; A255-A308 PolarHBondContact N-O 3.12Å
256	G	93.4	Very high	91.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.2	0	0	0	0	0	113.7	F224 S253 L254 S260 T458	F224-G256 WeakPolarHBondContact CZ-O 3.41Å; S253-G256 PolarHBondContact O-N 3.09Å; S253-G256 PolarHBondContact OG-N 3.05Å; L254-G256 PolarHBondContact O-N 2.81Å; G256-S260 PolarHBondContact O-N 3.19Å; G256-S260 PolarHBondContact O-OG 3.26Å; G256-T458 WeakPolarHBondContact O-CG2 3.3Å
257	F	95	Very high	92.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-52.8	173.5	172.3	-102.2	0	0	0	111.4	L213 K219 P221 F224 S253 L254 A255 E259 S260 L261 L270	L213-F257 HydrophobicContact CD1-CZ 4.5Å; L213-F257 HydrophobicContact CD2-CZ 3.94Å; K219-F257 WeakPolarHBondContact O-CE2 3.47Å; P221-F257 HydrophobicContact CB-CB 4.26Å; P221-F257 HydrophobicContact CB-CD1 4.08Å; P221-F257 HydrophobicContact CB-CD2 4.45Å; P221-F257 HydrophobicContact CB-CG 4Å; P221-F257 HydrophobicContact CG-CD1 3.7Å; P221-F257 HydrophobicContact CG-CE1 3.78Å; P221-F257 HydrophobicContact CG-CG 4.09Å; P221-F257 HydrophobicContact CG-CZ 4.24Å; F224-F257 HydrophobicContact CB-CD2 3.75Å; F224-F257 HydrophobicContact CB-CE2 4.34Å; F224-F257 HydrophobicContact CD1-CB 3.72Å; F224-F257 AromaticContact CD1-CD2 3.94Å; F224-F257 HydrophobicContact CD1-CD2 3.94Å; F224-F257 HydrophobicContact CD1-CG 4.34Å; F224-F257 HydrophobicContact CD2-CD2 4.04Å; F224-F257 HydrophobicContact CE1-CB 3.85Å; F224-F257 VanDerWaalsContact CE1-N 3.33Å; F224-F257 HydrophobicContact CG-CB 4.33Å; F224-F257 AromaticContact CG-CD2 3.66Å; F224-F257 HydrophobicContact CG-CD2 3.66Å; F224-F257 HydrophobicContact CG-CG 4.5Å; S253-F257 PolarHBondContact O-N 3.17Å; L254-F257 PolarHBondContact O-N 3.34Å; A255-F257 PolarHBondContact O-N 3.22Å; F257-E259 PolarHBondContact O-N 3.2Å; F257-S260 WeakPolarHBondContact O-CB 3.44Å; F257-S260 PolarHBondContact O-N 3.46Å; F257-S260 VanDerWaalsContact O-N 3.07Å; F257-L261 HydrophobicContact CD1-CD1 4.44Å; F257-L261 HydrophobicContact CE1-CD1 3.94Å; F257-L261 HydrophobicContact CE1-CG 4.45Å; F257-L261 HydrophobicContact CZ-CD1 4.4Å; F257-L261 HydrophobicContact CZ-CD2 4.26Å; F257-L261 PolarHBondContact O-N 3.37Å; F257-L270 HydrophobicContact CE1-CD1 3.97Å; F257-L270 HydrophobicContact CZ-CD1 4.47Å
258	L	95.7	Very high	92.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.6	-36.3	-177.5	-67	174	0	0	0	112.5	L254 A255 S260 L261 R267 L270 L311 M444	L254-L258 HydrophobicContact CD2-CD1 3.73Å; L254-L258 HydrophobicContact CG-CD1 3.7Å; L254-L258 HydrophobicContact CG-CG 4.05Å; L254-L258 WeakPolarHBondContact O-CB 3.16Å; L254-L258 WeakPolarHBondContact O-CG 3.17Å; L254-L258 PolarHBondContact O-N 3.42Å; A255-L258 PolarHBondContact O-N 3.17Å; L258-S260 PolarHBondContact O-N 3.03Å; L258-L261 HydrophobicContact CD2-CD1 3.76Å; L258-L261 WeakPolarHBondContact O-CB 3.3Å; L258-L261 PolarHBondContact O-N 3.17Å; L258-R267 HydrophobicContact CD2-CG 4.46Å; L258-R267 PolarHBondContact O-NE 3.17Å; L258-L270 HydrophobicContact CD2-CD1 4.42Å; L258-L311 HydrophobicContact CD1-CB 4.39Å; L258-L311 HydrophobicContact CD1-CD1 3.96Å; L258-L311 HydrophobicContact CD2-CD1 4.06Å; L258-L311 HydrophobicContact CD2-CD2 4.25Å; L258-M444 HydrophobicContact CB-CE 3.26Å; L258-M444 HydrophobicContact CB-SD 4.4Å; L258-M444 HydrophobicContact CD1-CE 3.93Å; L258-M444 HydrophobicContact CG-CE 4.26Å
259	E	95.2	Very high	92.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-16.9	172	-84.8	-170.7	-168.2	0	0	113.2	A255 F257 T443 M444 P456 T458	A255-E259 VanDerWaalsContact O-CB 3.28Å; A255-E259 WeakPolarHBondContact O-CB 3.32Å; A255-E259 WeakPolarHBondContact O-CG 3.46Å; A255-E259 PolarHBondContact O-N 2.77Å; F257-E259 PolarHBondContact O-N 3.2Å; E259-T443 WeakPolarHBondContact OE1-CA 3.49Å; E259-T443 VanDerWaalsContact OE1-CB 3.31Å; E259-T443 WeakPolarHBondContact OE1-CB 3.4Å; E259-T443 PolarHBondContact OE1-OG1 2.77Å; E259-M444 HydrophobicContact CG-CB 4.37Å; E259-M444 HydrophobicContact CG-CE 4.25Å; E259-M444 HydrophobicContact CG-CG 3.73Å; E259-M444 HydrophobicContact CG-SD 4.34Å; E259-M444 PolarHBondContact OE1-N 2.9Å; E259-P456 HydrophobicContact CB-CB 3.84Å; E259-P456 HydrophobicContact CG-CB 4.07Å; E259-P456 WeakPolarHBondContact O-CB 3.22Å; E259-P456 WeakPolarHBondContact O-CG 3.48Å; E259-T458 VanDerWaalsContact OE2-CB 3.22Å; E259-T458 WeakPolarHBondContact OE2-CB 3.37Å; E259-T458 PolarHBondContact OE2-N 3.5Å; E259-T458 PolarHBondContact OE2-OG1 3.31Å
260	S	94.7	Very high	92.9	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-85.4	-27	174.2	-57.8	0	0	0	0	111.9	F224 G256 F257 L258 L460 I464	F224-S260 VanDerWaalsContact CZ-OG 3.29Å; F224-S260 WeakPolarHBondContact CZ-OG 3.45Å; G256-S260 PolarHBondContact O-N 3.19Å; G256-S260 PolarHBondContact O-OG 3.26Å; F257-S260 WeakPolarHBondContact O-CB 3.44Å; F257-S260 PolarHBondContact O-N 3.46Å; F257-S260 VanDerWaalsContact O-N 3.07Å; L258-S260 PolarHBondContact O-N 3.03Å; S260-L460 WeakPolarHBondContact OG-CB 3.41Å; S260-L460 PolarHBondContact OG-N 3.45Å; S260-L460 VanDerWaalsContact OG-N 3.14Å; S260-I464 VanDerWaalsContact C-CD1 3.46Å; S260-I464 WeakPolarHBondContact O-CD1 3.47Å
261	L	94.7	Very high	93.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-62.9	146.7	178.3	-64	175	0	0	0	111.4	W218 F257 L258 N263 R267 L270 I464	W218-L261 HydrophobicContact CD2-CD2 4.33Å; W218-L261 HydrophobicContact CE3-CD2 3.68Å; W218-L261 HydrophobicContact CH2-CD2 4.27Å; W218-L261 HydrophobicContact CZ3-CD2 3.66Å; F257-L261 HydrophobicContact CD1-CD1 4.44Å; F257-L261 HydrophobicContact CE1-CD1 3.94Å; F257-L261 HydrophobicContact CE1-CG 4.45Å; F257-L261 HydrophobicContact CZ-CD1 4.4Å; F257-L261 HydrophobicContact CZ-CD2 4.26Å; F257-L261 PolarHBondContact O-N 3.37Å; L258-L261 HydrophobicContact CD2-CD1 3.76Å; L258-L261 WeakPolarHBondContact O-CB 3.3Å; L258-L261 PolarHBondContact O-N 3.17Å; L261-N263 PolarHBondContact O-N 3.28Å; L261-R267 HydrophobicContact CB-CG 3.98Å; L261-R267 HydrophobicContact CD1-CG 3.97Å; L261-R267 PolarHBondContact O-NH2 3.19Å; L261-L270 HydrophobicContact CD1-CD1 3.53Å; L261-I464 HydrophobicContact CD2-CD1 4.18Å; L261-I464 HydrophobicContact CD2-CG2 4.2Å
262	P	91.3	Very high	93.6	Very high	88 Å²	88	27.2 Å²	27.2	57%	0.571	13%	0.134	S	C	*	.	S	Bend	trans	-70.8	-28.4	-161.2	26.1	-36.5	0	0	0	115.8	W218 E266	W218-P262 HydrophobicContact CH2-CG 4.4Å; P262-E266 HydrophobicContact CG-CB 4.42Å; P262-E266 HydrophobicContact CG-CG 4.07Å
263	N	92.1	Very high	93.6	Very high	57 Å²	57	29 Å²	29	31%	0.305	14%	0.143	S	C	.	.			trans	-161.7	171.9	179.4	65.1	41.2	0	0	0	112.5	L261 E265 E266 R267	L261-N263 PolarHBondContact O-N 3.28Å; N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 3.05Å; N263-E265 WeakPolarHBondContact OD1-CA 3.46Å; N263-E265 WeakPolarHBondContact OD1-CB 3.5Å; N263-E265 PolarHBondContact OD1-N 3.42Å; N263-E266 WeakPolarHBondContact OD1-CG 3.28Å; N263-E266 PolarHBondContact OD1-N 3.16Å; N263-R267 WeakPolarHBondContact O-CG 3.32Å; N263-R267 PolarHBondContact O-N 3.02Å
264	N	91.9	Very high	93.4	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-24.4	177.3	-78.3	-20.2	0	0	0	115.7	R267 R268 I306 Y448 E450	N264-R267 PolarHBondContact OD1-NH1 3.46Å; N264-R268 VanDerWaalsContact O-CB 3.32Å; N264-R268 WeakPolarHBondContact O-CB 3.46Å; N264-R268 WeakPolarHBondContact O-CD 3.42Å; N264-R268 WeakPolarHBondContact O-CG 3.29Å; N264-R268 PolarHBondContact O-N 3.37Å; N264-I306 HydrophobicContact CB-CD1 3.8Å; N264-I306 VanDerWaalsContact CG-CD1 3.49Å; N264-I306 WeakPolarHBondContact OD1-CD1 3.41Å; N264-Y448 PolarHBondContact OD1-OH 3.21Å; N264-E450 WeakPolarHBondContact CB-OE2 3.48Å; N264-E450 PolarHBondContact N-OE1 2.98Å; N264-E450 PolarHBondContact N-OE2 3.45Å; N264-E450 PolarHBondContact ND2-OE2 2.7Å; N264-E450 VanDerWaalsContact ND2-OE2 3.13Å
265	E	92.7	Very high	93.1	Very high	118 Å²	118	35.8 Å²	35.8	55%	0.551	18%	0.177	S	C	*	.	H	α-helix	trans	-69.4	-46.4	179.1	-157.5	-157.6	129.7	0	0	110.5	N263 R268 K269	N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 3.05Å; N263-E265 WeakPolarHBondContact OD1-CA 3.46Å; N263-E265 WeakPolarHBondContact OD1-CB 3.5Å; N263-E265 PolarHBondContact OD1-N 3.42Å; E265-R268 PolarHBondContact O-N 3.44Å; E265-K269 WeakPolarHBondContact O-CG 3.43Å; E265-K269 PolarHBondContact O-N 3.05Å; E265-K269 WeakPolarHBondContact OE1-CE 3.22Å; E265-K269 IonicContact OE1-NZ 2.68Å; E265-K269 PolarHBondContact OE1-NZ 3.48Å
266	E	93.7	Very high	92.8	Very high	17 Å²	17	40.1 Å²	40.1	8%	0.079	19%	0.194	C	C	.	.	H	α-helix	trans	-65.6	-42.6	175.9	-61.7	-67.2	89.9	0	0	111.3	Y212 K216 W218 P262 N263 R268 K269	Y212-E266 PolarHBondContact OH-OE1 3.03Å; K216-E266 VanDerWaalsContact CE-OE2 3.31Å; K216-E266 WeakPolarHBondContact CE-OE2 3.36Å; K216-E266 IonicContact NZ-OE2 2.72Å; K216-E266 PolarHBondContact NZ-OE2 3.16Å; W218-E266 HydrophobicContact CH2-CB 4.09Å; W218-E266 HydrophobicContact CH2-CG 4.17Å; W218-E266 WeakPolarHBondContact CH2-OE2 3.43Å; W218-E266 HydrophobicContact CZ3-CB 4.37Å; P262-E266 HydrophobicContact CG-CB 4.42Å; P262-E266 HydrophobicContact CG-CG 4.07Å; N263-E266 WeakPolarHBondContact OD1-CG 3.28Å; N263-E266 PolarHBondContact OD1-N 3.16Å; E266-R268 PolarHBondContact O-N 2.94Å; E266-K269 PolarHBondContact O-N 3.32Å; E266-K269 IonicContact OE1-NZ 3.56Å; E266-K269 PolarHBondContact OE1-NZ 3.38Å
267	R	95	Very high	92.7	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-56.1	-49.5	173.7	-68.3	172.1	-163.3	132	9.7	111.2	L258 L261 N263 N264 K269 L270 I306 L311 Y442 E450	L258-R267 HydrophobicContact CD2-CG 4.46Å; L258-R267 PolarHBondContact O-NE 3.17Å; L261-R267 HydrophobicContact CB-CG 3.98Å; L261-R267 HydrophobicContact CD1-CG 3.97Å; L261-R267 PolarHBondContact O-NH2 3.19Å; N263-R267 WeakPolarHBondContact O-CG 3.32Å; N263-R267 PolarHBondContact O-N 3.02Å; N264-R267 PolarHBondContact OD1-NH1 3.46Å; R267-K269 VanDerWaalsContact C-N 3.27Å; R267-K269 PolarHBondContact O-N 2.87Å; R267-L270 PolarHBondContact O-N 2.97Å; R267-L270 VanDerWaalsContact O-N 3.14Å; R267-I306 HydrophobicContact CB-CD1 4.14Å; R267-L311 HydrophobicContact CB-CD1 4.37Å; R267-Y442 PolarHBondContact NH1-OH 3.02Å; R267-Y442 PolarHBondContact NH2-OH 2.91Å; R267-E450 IonicContact CZ-OE1 3.47Å; R267-E450 IonicContact NH1-OE1 2.62Å; R267-E450 PolarHBondContact NH1-OE1 3.11Å; R267-E450 IonicContact NH2-OE1 3.4Å
268	R	94.5	Very high	92.6	Very high	113 Å²	113	40.9 Å²	40.9	43%	0.426	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-31.1	-178.6	-79.9	166.2	178.5	160.8	-1.9	113.6	N264 E265 E266 L270 G271 Q273 I306 N312	N264-R268 VanDerWaalsContact O-CB 3.32Å; N264-R268 WeakPolarHBondContact O-CB 3.46Å; N264-R268 WeakPolarHBondContact O-CD 3.42Å; N264-R268 WeakPolarHBondContact O-CG 3.29Å; N264-R268 PolarHBondContact O-N 3.37Å; E265-R268 PolarHBondContact O-N 3.44Å; E266-R268 PolarHBondContact O-N 2.94Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 3.03Å; R268-G271 PolarHBondContact O-N 3.36Å; R268-Q273 PolarHBondContact O-NE2 3.02Å; R268-I306 HydrophobicContact CG-CD1 4.04Å; R268-I306 HydrophobicContact CG-CG1 4.17Å; R268-N312 PolarHBondContact O-ND2 2.03Å
269	K	94.8	Very high	92.3	Very high	70 Å²	70	41.3 Å²	41.3	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-68.1	-24.7	178.1	-70.2	166.6	-163.4	170.1	0	113.4	Y212 E265 E266 R267	Y212-K269 HydrophobicContact CD1-CB 4.2Å; Y212-K269 HydrophobicContact CE1-CB 4.18Å; Y212-K269 HydrophobicContact CE1-CD 3.85Å; Y212-K269 HydrophobicContact CE2-CD 4.18Å; E265-K269 WeakPolarHBondContact O-CG 3.43Å; E265-K269 PolarHBondContact O-N 3.05Å; E265-K269 WeakPolarHBondContact OE1-CE 3.22Å; E265-K269 IonicContact OE1-NZ 2.68Å; E265-K269 PolarHBondContact OE1-NZ 3.48Å; E266-K269 PolarHBondContact O-N 3.32Å; E266-K269 IonicContact OE1-NZ 3.56Å; E266-K269 PolarHBondContact OE1-NZ 3.38Å; R267-K269 VanDerWaalsContact C-N 3.27Å; R267-K269 PolarHBondContact O-N 2.87Å
270	L	94.9	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-76.2	-36	178.5	-52.5	-175.8	0	0	0	112	I205 S206 G209 Y212 L213 F257 L258 L261 R267 R268 L311	I205-L270 HydrophobicContact CD1-CB 4.11Å; I205-L270 HydrophobicContact CD1-CD1 4.47Å; S206-L270 PolarHBondContact N-O 3.49Å; S206-L270 PolarHBondContact OG-O 2.83Å; G209-L270 WeakPolarHBondContact CA-O 3.48Å; Y212-L270 HydrophobicContact CD1-CD2 3.93Å; L213-L270 HydrophobicContact CD2-CD1 3.77Å; L213-L270 HydrophobicContact CD2-CD2 3.58Å; L213-L270 HydrophobicContact CD2-CG 4.33Å; L213-L270 HydrophobicContact CG-CD2 3.87Å; F257-L270 HydrophobicContact CE1-CD1 3.97Å; F257-L270 HydrophobicContact CZ-CD1 4.47Å; L258-L270 HydrophobicContact CD2-CD1 4.42Å; L261-L270 HydrophobicContact CD1-CD1 3.53Å; R267-L270 PolarHBondContact O-N 2.97Å; R267-L270 VanDerWaalsContact O-N 3.14Å; R268-L270 VanDerWaalsContact C-N 3.28Å; R268-L270 PolarHBondContact O-N 3.03Å; L270-L311 HydrophobicContact CB-CD2 3.86Å
271	G	93.2	Very high	92.2	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-82.5	161.3	-174.8	0	0	0	0	0	114.4	P204 R268 Q273 N312	P204-G271 WeakPolarHBondContact O-CA 3.43Å; R268-G271 PolarHBondContact O-N 3.36Å; G271-Q273 PolarHBondContact O-N 2.87Å; G271-Q273 PolarHBondContact O-NE2 3.25Å; G271-N312 WeakPolarHBondContact CA-ND2 3.5Å; G271-N312 PolarHBondContact O-ND2 3.29Å
272	Y	92.3	Very high	92.3	Very high	16 Å²	16	47.2 Å²	47.2	6%	0.063	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-55.8	136.5	171.8	-70	-98.2	0	0	0	110.8	N201 R203 P207 N312 L335 D336	N201-Y272 HydrophobicContact CB-CD2 4.27Å; N201-Y272 VanDerWaalsContact ND2-CE2 3.32Å; N201-Y272 WeakPolarHBondContact ND2-CE2 3.44Å; R203-Y272 WeakPolarHBondContact O-CE2 3.44Å; P207-Y272 WeakPolarHBondContact CD-OH 3.22Å; Y272-N312 WeakPolarHBondContact O-CB 3.2Å; Y272-N312 PolarHBondContact O-ND2 3.19Å; Y272-L335 WeakPolarHBondContact CE1-O 3.31Å; Y272-L335 VanDerWaalsContact CZ-O 3.31Å; Y272-L335 PolarHBondContact OH-O 3.43Å; Y272-D336 HydrophobicContact CE1-CB 3.97Å
273	Q	90.9	Very high	92.5	Very high	77 Å²	77	43 Å²	43	36%	0.36	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-85.1	141.1	170.6	-60	-54.8	-50.3	0	0	109.2	R268 G271 N275 K276 L277 N312	R268-Q273 PolarHBondContact O-NE2 3.02Å; G271-Q273 PolarHBondContact O-N 2.87Å; G271-Q273 PolarHBondContact O-NE2 3.25Å; Q273-N275 WeakPolarHBondContact CB-OD1 3.41Å; Q273-N275 PolarHBondContact O-N 2.99Å; Q273-K276 WeakPolarHBondContact O-CA 3.3Å; Q273-K276 PolarHBondContact O-N 3.3Å; Q273-L277 PolarHBondContact O-N 2.98Å; Q273-N312 PolarHBondContact NE2-ND2 3.24Å
274	H	88.4	Confident	92.8	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.241	19%	0.191	C	C	.	.	H	α-helix	trans	-46.1	-41.4	-177.3	68	-42.4	0	0	0	114.7	K276 L277 I278 K304 A314	H274-K276 VanDerWaalsContact C-N 3.34Å; H274-K276 PolarHBondContact O-N 3.38Å; H274-L277 PolarHBondContact O-N 3.17Å; H274-I278 WeakPolarHBondContact O-CB 3.43Å; H274-I278 PolarHBondContact O-N 3.12Å; H274-K304 WeakPolarHBondContact CD2-CE 3.32Å; H274-K304 PolarHBondContact CD2-NZ 3.26Å; H274-K304 PolarHBondContact CE1-NZ 2.87Å; H274-K304 VanDerWaalsContact CG-CE 3.45Å; H274-K304 WeakPolarHBondContact NE2-CE 3.43Å; H274-K304 PolarHBondContact NE2-NZ 3.44Å; H274-A314 HydrophobicContact CB-CB 4.09Å
275	N	87.2	Confident	92.9	Very high	100 Å²	100	41.7 Å²	41.7	54%	0.535	19%	0.191	S	C	.	.	H	α-helix	trans	-81.2	-5.3	-179.7	63.3	-50.8	0	0	0	114.7	Q273	Q273-N275 WeakPolarHBondContact CB-OD1 3.41Å; Q273-N275 PolarHBondContact O-N 2.99Å
276	K	87	Confident	92.9	Very high	101 Å²	101	38.5 Å²	38.5	44%	0.439	18%	0.178	S	C	.	.	H	α-helix	trans	-98.8	-35.9	163.8	-69.2	-161.4	176.2	-161.8	0	111.4	D208 Q273 H274 I279	D208-K276 IonicContact OD2-NZ 2.7Å; D208-K276 PolarHBondContact OD2-NZ 3.44Å; Q273-K276 WeakPolarHBondContact O-CA 3.3Å; Q273-K276 PolarHBondContact O-N 3.3Å; H274-K276 VanDerWaalsContact C-N 3.34Å; H274-K276 PolarHBondContact O-N 3.38Å; K276-I279 WeakPolarHBondContact O-CG2 3.35Å
277	L	91.6	Very high	92.7	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-71.1	-44	178.7	-176.4	62.5	0	0	0	111.9	I199 N201 Q273 H274 I333 Y334	I199-L277 HydrophobicContact CG2-CD2 4.27Å; N201-L277 HydrophobicContact CB-CD1 3.98Å; Q273-L277 PolarHBondContact O-N 2.98Å; H274-L277 PolarHBondContact O-N 3.17Å; L277-I333 HydrophobicContact CD1-CG2 3.84Å; L277-I333 HydrophobicContact CG-CG2 4.34Å; L277-I333 CarbonylContact O-C 3.51Å; L277-I333 WeakPolarHBondContact O-CA 3.41Å; L277-I333 WeakPolarHBondContact O-CG2 3.45Å; L277-Y334 PolarHBondContact O-N 3.22Å
278	I	93	Very high	92.3	Very high	15 Å²	15	45.7 Å²	45.7	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	96.3	-176.6	-54.4	177.7	0	0	0	107.1	I199 H274 C281 W302 M331	I199-I278 HydrophobicContact CB-CD1 4.37Å; I199-I278 HydrophobicContact CD1-CD1 3.97Å; I199-I278 HydrophobicContact CG2-CD1 4.4Å; H274-I278 WeakPolarHBondContact O-CB 3.43Å; H274-I278 PolarHBondContact O-N 3.12Å; I278-C281 HydrophobicContact CG2-CB 4.17Å; I278-W302 HydrophobicContact CD1-CH2 3.38Å; I278-W302 HydrophobicContact CD1-CZ2 4.36Å; I278-W302 HydrophobicContact CD1-CZ3 3.56Å; I278-W302 HydrophobicContact CG2-CH2 4.3Å; I278-W302 HydrophobicContact CG2-CZ2 4.46Å; I278-M331 HydrophobicContact CD1-SD 4.41Å; I278-M331 HydrophobicContact CG2-CB 4.5Å; I278-M331 HydrophobicContact CG2-SD 4.36Å
279	I	89.8	Confident	91.8	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.046	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-16	-170.5	69.2	-161.9	0	0	0	112.9	K276 Y332 Y334 W536 L545 L585	K276-I279 WeakPolarHBondContact O-CG2 3.35Å; I279-Y332 PolarHBondContact N-O 2.84Å; I279-Y334 HydrophobicContact CG2-CG 4.46Å; I279-W536 HydrophobicContact CD1-CH2 4.13Å; I279-W536 HydrophobicContact CD1-CZ2 3.62Å; I279-L545 HydrophobicContact CB-CD2 4.42Å; I279-L545 HydrophobicContact CG2-CD2 4.34Å; I279-L585 HydrophobicContact CD1-CD2 3.63Å
280	K	91.8	Very high	91.6	Very high	61 Å²	61	50.5 Å²	50.5	27%	0.265	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	132.6	175.7	-171.3	-161.5	-175.6	-149.1	0	108.3	Q282 E330 M331 Y332	K280-Q282 HydrophobicContact CG-CG 4.5Å; K280-E330 IonicContact NZ-OE1 3.13Å; K280-E330 IonicContact NZ-OE2 3.92Å; K280-E330 PolarHBondContact NZ-OE2 2.86Å; K280-M331 WeakPolarHBondContact O-CA 3.45Å; K280-Y332 HydrophobicContact CB-CD2 3.88Å; K280-Y332 HydrophobicContact CB-CG 4.15Å; K280-Y332 HydrophobicContact CD-CD2 3.45Å; K280-Y332 VanDerWaalsContact CD-CD2 3.45Å; K280-Y332 HydrophobicContact CD-CE1 4.4Å; K280-Y332 HydrophobicContact CD-CE2 3.24Å; K280-Y332 HydrophobicContact CD-CG 4.11Å; K280-Y332 HydrophobicContact CG-CD2 4.32Å; K280-Y332 PolarHBondContact NZ-OH 2.84Å; K280-Y332 PolarHBondContact O-N 3.49Å
281	C	96	Very high	91.5	Very high	6 Å²	6	54.8 Å²	54.8	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124	169.5	-174.4	0	0	0	0	108.8	I278 C296 W302 E330 M331	I278-C281 HydrophobicContact CG2-CB 4.17Å; C281-C296 HydrophobicContact CB-CB 3.6Å; C281-C296 WeakPolarHBondContact CB-SG 3.47Å; C281-C296 PolarHBondContact O-N 2.97Å; C281-C296 PolarHBondContact O-SG 3.24Å; C281-C296 WeakPolarHBondContact SG-CB 3.38Å; C281-C296 CovalentContact SG-SG 2.03Å; C281-C296 PolarHBondContact SG-SG 3.03Å; C281-W302 HydrophobicContact CB-CZ2 4.2Å; C281-E330 WeakPolarHBondContact CA-O 3.45Å; C281-M331 HydrophobicContact CB-CG 4.35Å
282	Q	96.3	Very high	91.6	Very high	64 Å²	64	57 Å²	57	30%	0.299	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137	174.2	-61.7	-163	-100.5	0	0	110.3	K280 A294 C296 I329 E330	K280-Q282 HydrophobicContact CG-CG 4.5Å; Q282-A294 WeakPolarHBondContact CA-O 3.47Å; Q282-C296 PolarHBondContact N-SG 3.15Å; Q282-I329 CarbonylContact O-C 3.54Å; Q282-I329 WeakPolarHBondContact O-CA 3.35Å; Q282-E330 PolarHBondContact N-O 2.9Å; Q282-E330 PolarHBondContact O-N 2.72Å
283	I	96.4	Very high	91.8	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.2	176.3	-179.1	167.1	0	0	0	109.2	A293 A294 K299 F316 P318 I326 I329	I283-A293 CarbonylContact O-C 3.5Å; I283-A293 WeakPolarHBondContact O-CA 3.28Å; I283-A294 HydrophobicContact CG2-CB 4.5Å; I283-A294 WeakPolarHBondContact CG2-O 3.38Å; I283-A294 PolarHBondContact N-O 2.86Å; I283-A294 PolarHBondContact O-N 3.2Å; I283-K299 HydrophobicContact CG2-CB 3.73Å; I283-K299 HydrophobicContact CG2-CG 4.02Å; I283-F316 HydrophobicContact CD1-CE1 4.01Å; I283-F316 HydrophobicContact CD1-CZ 4.39Å; I283-P318 HydrophobicContact CD1-CB 4.25Å; I283-P318 HydrophobicContact CD1-CG 4.31Å; I283-I326 HydrophobicContact CD1-CD1 3.53Å; I283-I326 HydrophobicContact CD1-CG1 3.6Å; I283-I326 HydrophobicContact CD1-CG2 4.05Å; I283-I326 HydrophobicContact CG1-CD1 4.43Å; I283-I326 HydrophobicContact CG1-CG1 3.99Å; I283-I326 HydrophobicContact CG1-CG2 3.88Å; I283-I329 HydrophobicContact CB-CG1 4.36Å; I283-I329 HydrophobicContact CD1-CD1 4.21Å; I283-I329 HydrophobicContact CD1-CG1 4.27Å; I283-I329 HydrophobicContact CG1-CG1 4.02Å
284	T	96.5	Very high	92	Very high	21 Å²	21	55.9 Å²	55.9	13%	0.129	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.1	174.8	-50.4	0	0	0	0	109.2	P291 V292 I326 T327 N328	T284-P291 HydrophobicContact CG2-CB 3.75Å; T284-V292 WeakPolarHBondContact CA-O 3.39Å; T284-I326 CarbonylContact O-C 3.57Å; T284-I326 WeakPolarHBondContact O-CA 3.16Å; T284-T327 WeakPolarHBondContact CG2-OG1 3.1Å; T284-T327 PolarHBondContact O-N 2.72Å; T284-T327 PolarHBondContact O-OG1 2.94Å; T284-N328 WeakPolarHBondContact CB-OD1 3.49Å; T284-N328 PolarHBondContact N-O 3.39Å; T284-N328 PolarHBondContact O-N 2.79Å; T284-N328 PolarHBondContact OG1-OD1 2.97Å
285	Y	94.6	Very high	92.4	Very high	30 Å²	30	55.8 Å²	55.8	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	153.4	176	66.2	-84.8	0	0	0	110.8	N287 V292 A294 K299 L322 D325	Y285-N287 HydrophobicContact CE2-CB 4.33Å; Y285-V292 WeakPolarHBondContact CD1-O 3.44Å; Y285-V292 HydrophobicContact CE1-CB 4.4Å; Y285-V292 HydrophobicContact CE1-CG1 4.37Å; Y285-V292 PolarHBondContact N-O 3.35Å; Y285-V292 PolarHBondContact O-N 3.28Å; Y285-A294 HydrophobicContact CE1-CB 4.26Å; Y285-K299 HydrophobicContact CE1-CD 4.03Å; Y285-K299 PolarHBondContact OH-NZ 3.4Å; Y285-L322 HydrophobicContact CD2-CD2 4.05Å; Y285-L322 HydrophobicContact CE2-CD2 4.22Å; Y285-L322 HydrophobicContact CG-CD2 4.31Å; Y285-D325 WeakPolarHBondContact CA-O 3.05Å
286	L	92.6	Very high	92.8	Very high	52 Å²	52	51 Å²	51	27%	0.272	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130	174.9	-64.6	-173.4	0	0	0	110.5	P291 D325 T327 F595	L286-P291 HydrophobicContact CD2-CB 4.27Å; L286-D325 PolarHBondContact N-O 2.93Å; L286-T327 HydrophobicContact CD1-CG2 4.43Å; L286-T327 HydrophobicContact CD2-CG2 3.94Å; L286-T327 HydrophobicContact CG-CG2 3.85Å; L286-F595 HydrophobicContact CD1-CE2 4.01Å; L286-F595 HydrophobicContact CD1-CZ 3.62Å; L286-F595 HydrophobicContact CG-CZ 4.38Å
287	N	90.2	Very high	93	Very high	108 Å²	108	51.7 Å²	51.7	58%	0.578	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	93.2	167.4	-173.2	15.2	0	0	0	107.7	Y285 S289 K290 V292	Y285-N287 HydrophobicContact CE2-CB 4.33Å; N287-S289 PolarHBondContact O-N 3.2Å; N287-K290 PolarHBondContact N-O 3.08Å; N287-K290 PolarHBondContact O-N 3.24Å; N287-V292 HydrophobicContact CB-CG2 3.75Å
288	G	87.1	Confident	93.2	Very high	61 Å²	61	60.6 Å²	60.6	63%	0.629	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	-135	-157.1	0	0	0	0	0	109.9	K290	G288-K290 VanDerWaalsContact C-N 3.26Å; G288-K290 PolarHBondContact O-N 3.43Å
289	S	83.7	Confident	93.3	Very high	123 Å²	123	61.7 Å²	61.7	86%	0.86	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-1.7	179.8	-38.7	0	0	0	0	115.2	N287	N287-S289 PolarHBondContact O-N 3.2Å
290	K	90.9	Very high	93.5	Very high	160 Å²	160	61.6 Å²	61.6	70%	0.696	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.1	-173.4	-67.7	-173.7	179.7	-178.9	0	111.6	N287 G288 V292	N287-K290 PolarHBondContact N-O 3.08Å; N287-K290 PolarHBondContact O-N 3.24Å; G288-K290 VanDerWaalsContact C-N 3.26Å; G288-K290 PolarHBondContact O-N 3.43Å; K290-V292 PolarHBondContact O-N 3Å
291	P	93.1	Very high	93.7	Very high	90 Å²	90	63.1 Å²	63.1	58%	0.584	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	129.9	169.9	28.9	-32.9	0	0	0	110.2	T284 L286	T284-P291 HydrophobicContact CG2-CB 3.75Å; L286-P291 HydrophobicContact CD2-CB 4.27Å
292	V	95.3	Very high	93.5	Very high	50 Å²	50	64.7 Å²	64.7	30%	0.303	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.1	178.5	-179.7	0	0	0	0	108.8	T284 Y285 N287 K290	T284-V292 WeakPolarHBondContact CA-O 3.39Å; Y285-V292 WeakPolarHBondContact CD1-O 3.44Å; Y285-V292 HydrophobicContact CE1-CB 4.4Å; Y285-V292 HydrophobicContact CE1-CG1 4.37Å; Y285-V292 PolarHBondContact N-O 3.35Å; Y285-V292 PolarHBondContact O-N 3.28Å; N287-V292 HydrophobicContact CB-CG2 3.75Å; K290-V292 PolarHBondContact O-N 3Å
293	A	95.4	Very high	93.3	Very high	58 Å²	58	63.3 Å²	63.3	48%	0.479	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.9	173	0	0	0	0	0	111	I283	I283-A293 CarbonylContact O-C 3.5Å; I283-A293 WeakPolarHBondContact O-CA 3.28Å
294	A	96.1	Very high	93.1	Very high	11 Å²	11	67.6 Å²	67.6	9%	0.091	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.2	176.4	0	0	0	0	0	111.4	Q282 I283 Y285 K299	Q282-A294 WeakPolarHBondContact CA-O 3.47Å; I283-A294 HydrophobicContact CG2-CB 4.5Å; I283-A294 WeakPolarHBondContact CG2-O 3.38Å; I283-A294 PolarHBondContact N-O 2.86Å; I283-A294 PolarHBondContact O-N 3.2Å; Y285-A294 HydrophobicContact CE1-CB 4.26Å; A294-K299 HydrophobicContact CB-CG 3.83Å
295	P	95.7	Very high	92.9	Very high	49 Å²	49	67 Å²	67	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	138.1	168.7	-19.7	32.4	0	0	0	111.2	E297 R298	P295-E297 WeakPolarHBondContact CB-OE2 3.38Å; P295-E297 PolarHBondContact O-N 3.29Å; P295-R298 PolarHBondContact O-N 2.89Å; P295-R298 VanDerWaalsContact O-N 3.12Å
296	C	95.6	Very high	92.9	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-58.1	-34.1	-176	-65.6	0	0	0	0	113	C281 Q282 R298 K299 G300 F316	C281-C296 HydrophobicContact CB-CB 3.6Å; C281-C296 WeakPolarHBondContact CB-SG 3.47Å; C281-C296 PolarHBondContact O-N 2.97Å; C281-C296 PolarHBondContact O-SG 3.24Å; C281-C296 WeakPolarHBondContact SG-CB 3.38Å; C281-C296 CovalentContact SG-SG 2.03Å; C281-C296 PolarHBondContact SG-SG 3.03Å; Q282-C296 PolarHBondContact N-SG 3.15Å; C296-R298 PolarHBondContact O-N 3.04Å; C296-K299 PolarHBondContact O-N 2.95Å; C296-G300 PolarHBondContact O-N 3.47Å; C296-G300 VanDerWaalsContact O-N 3.08Å; C296-F316 HydrophobicContact CB-CD2 4.18Å; C296-F316 HydrophobicContact CB-CE1 4.32Å; C296-F316 HydrophobicContact CB-CE2 3.61Å; C296-F316 HydrophobicContact CB-CZ 3.68Å; C296-F316 WeakPolarHBondContact O-CE2 3.47Å
297	E	92.4	Very high	93	Very high	115 Å²	115	63.9 Å²	63.9	54%	0.537	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-63.2	-15.5	-179.1	-53.5	68.8	-144.5	0	0	113.1	P295	P295-E297 WeakPolarHBondContact CB-OE2 3.38Å; P295-E297 PolarHBondContact O-N 3.29Å
298	R	94.8	Very high	93.1	Very high	190 Å²	190	59 Å²	59	72%	0.717	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-101.2	-1.1	177.7	-60.8	-176.1	178.6	-179.6	-1.3	113.6	P295 C296	P295-R298 PolarHBondContact O-N 2.89Å; P295-R298 VanDerWaalsContact O-N 3.12Å; C296-R298 PolarHBondContact O-N 3.04Å
299	K	95.3	Very high	93.4	Very high	37 Å²	37	59.1 Å²	59.1	16%	0.161	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.6	0.9	-166.1	-65.5	-66.7	170.7	171.1	0	114.5	I283 Y285 A294 C296 F319 L322	I283-K299 HydrophobicContact CG2-CB 3.73Å; I283-K299 HydrophobicContact CG2-CG 4.02Å; Y285-K299 HydrophobicContact CE1-CD 4.03Å; Y285-K299 PolarHBondContact OH-NZ 3.4Å; A294-K299 HydrophobicContact CB-CG 3.83Å; C296-K299 PolarHBondContact O-N 2.95Å; K299-F319 VanDerWaalsContact C-CE2 3.45Å; K299-F319 VanDerWaalsContact O-CD2 3.27Å; K299-F319 WeakPolarHBondContact O-CD2 3.35Å; K299-F319 PolarHBondContact O-N 2.77Å; K299-L322 HydrophobicContact CB-CD1 3.91Å; K299-L322 HydrophobicContact CD-CD1 3.52Å; K299-L322 HydrophobicContact CG-CD1 4.27Å
300	G	94.6	Very high	93.9	Very high	7 Å²	7	53.6 Å²	53.6	7%	0.072	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-176.5	174.4	0	0	0	0	0	112.5	C296 E317	C296-G300 PolarHBondContact O-N 3.47Å; C296-G300 VanDerWaalsContact O-N 3.08Å; G300-E317 CarbonylContact C-O 3.52Å; G300-E317 WeakPolarHBondContact CA-O 3.31Å
301	I	94.2	Very high	94	Very high	93 Å²	93	46 Å²	46	48%	0.477	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145	-177.8	-58.6	174.7	0	0	0	109.2	E317 F319	I301-E317 PolarHBondContact N-O 3.1Å; I301-E317 PolarHBondContact O-N 3.08Å; I301-F319 HydrophobicContact CD1-CE1 4.11Å; I301-F319 HydrophobicContact CG1-CD1 4.28Å; I301-F319 HydrophobicContact CG1-CE1 3.67Å
302	W	93.5	Very high	94.2	Very high	40 Å²	40	42.7 Å²	42.7	15%	0.152	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	100.9	172.5	-76.7	106.9	0	0	0	111.1	I278 C281 A314 T315 F316 M331	I278-W302 HydrophobicContact CD1-CH2 3.38Å; I278-W302 HydrophobicContact CD1-CZ2 4.36Å; I278-W302 HydrophobicContact CD1-CZ3 3.56Å; I278-W302 HydrophobicContact CG2-CH2 4.3Å; I278-W302 HydrophobicContact CG2-CZ2 4.46Å; C281-W302 HydrophobicContact CB-CZ2 4.2Å; W302-A314 HydrophobicContact CE3-CB 4.12Å; W302-A314 HydrophobicContact CZ3-CB 4.19Å; W302-T315 CarbonylContact C-O 3.58Å; W302-T315 VanDerWaalsContact CA-O 3.32Å; W302-T315 WeakPolarHBondContact CA-O 3.17Å; W302-F316 HydrophobicContact CD2-CB 4.32Å; W302-F316 HydrophobicContact CD2-CD2 4.08Å; W302-F316 AromaticContact CE2-CD2 3.79Å; W302-F316 HydrophobicContact CE3-CB 3.94Å; W302-F316 HydrophobicContact CH2-CB 3.72Å; W302-F316 HydrophobicContact CH2-CD2 4.48Å; W302-F316 HydrophobicContact CH2-CG 4.34Å; W302-F316 HydrophobicContact CZ2-CB 4.12Å; W302-F316 HydrophobicContact CZ2-CD2 4.01Å; W302-F316 HydrophobicContact CZ2-CG 4.27Å; W302-F316 HydrophobicContact CZ3-CB 3.63Å; W302-M331 HydrophobicContact CH2-CE 4.18Å; W302-M331 HydrophobicContact CH2-SD 4.05Å
303	R	92.2	Very high	94.2	Very high	34 Å²	34	40.4 Å²	40.4	13%	0.128	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151.6	167.9	-59	-166.2	-164.9	-164.8	11.3	110.7	A314 T315 E317 D367 M417 I418	R303-A314 WeakPolarHBondContact O-CA 3.33Å; R303-T315 PolarHBondContact N-O 3.01Å; R303-T315 PolarHBondContact O-N 2.76Å; R303-E317 IonicContact CZ-OE1 2.67Å; R303-E317 IonicContact CZ-OE2 2.79Å; R303-E317 IonicContact NE-OE1 2.71Å; R303-E317 PolarHBondContact NE-OE1 2.96Å; R303-E317 IonicContact NE-OE2 2.63Å; R303-E317 PolarHBondContact NE-OE2 2.7Å; R303-E317 IonicContact NH2-OE1 3.62Å; R303-E317 PolarHBondContact NH2-OE1 2.85Å; R303-E317 IonicContact NH2-OE2 3.56Å; R303-E317 PolarHBondContact NH2-OE2 3.49Å; R303-D367 IonicContact NH2-OD1 2.7Å; R303-M417 HydrophobicContact CB-SD 4.29Å; R303-M417 HydrophobicContact CG-SD 4.22Å; R303-I418 PolarHBondContact NH1-O 2.93Å
304	K	92.2	Very high	94.2	Very high	91 Å²	91	37.8 Å²	37.8	40%	0.396	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	126.8	-174.3	-61.1	162.6	-166.3	171.8	0	109	H274 C313	H274-K304 WeakPolarHBondContact CD2-CE 3.32Å; H274-K304 PolarHBondContact CD2-NZ 3.26Å; H274-K304 PolarHBondContact CE1-NZ 2.87Å; H274-K304 VanDerWaalsContact CG-CE 3.45Å; H274-K304 WeakPolarHBondContact NE2-CE 3.43Å; H274-K304 PolarHBondContact NE2-NZ 3.44Å; K304-C313 WeakPolarHBondContact CA-O 3.3Å
305	F	92.5	Very high	94.2	Very high	7 Å²	7	37.3 Å²	37.3	3%	0.031	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.2	179.2	65	-85.1	0	0	0	111.2	T198 H307 C313 P370 I372 Y415	T198-F305 HydrophobicContact CG2-CE1 4.05Å; T198-F305 HydrophobicContact CG2-CZ 4Å; F305-H307 HydrophobicContact CE2-CB 4.34Å; F305-C313 HydrophobicContact CD1-CB 4.36Å; F305-C313 HydrophobicContact CD2-CB 4.37Å; F305-C313 HydrophobicContact CE1-CB 3.92Å; F305-C313 HydrophobicContact CE2-CB 3.93Å; F305-C313 HydrophobicContact CZ-CB 3.71Å; F305-C313 PolarHBondContact N-O 3.44Å; F305-C313 PolarHBondContact O-N 3.24Å; F305-P370 HydrophobicContact CE1-CG 3.85Å; F305-P370 HydrophobicContact CZ-CG 3.62Å; F305-I372 HydrophobicContact CE2-CD1 3.76Å; F305-I372 HydrophobicContact CZ-CD1 3.54Å; F305-Y415 HydrophobicContact CB-CD2 4.07Å; F305-Y415 HydrophobicContact CB-CE2 4.06Å; F305-Y415 HydrophobicContact CB-CG 4.41Å; F305-Y415 HydrophobicContact CD2-CE2 4.13Å; F305-Y415 HydrophobicContact CG-CE2 4.22Å
306	I	93.8	Very high	94.2	Very high	4 Å²	4	35 Å²	35	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.6	179.2	-64.9	163.2	0	0	0	107.9	N264 R267 R268 L311 M444	N264-I306 HydrophobicContact CB-CD1 3.8Å; N264-I306 VanDerWaalsContact CG-CD1 3.49Å; N264-I306 WeakPolarHBondContact OD1-CD1 3.41Å; R267-I306 HydrophobicContact CB-CD1 4.14Å; R268-I306 HydrophobicContact CG-CD1 4.04Å; R268-I306 HydrophobicContact CG-CG1 4.17Å; I306-L311 CarbonylContact C-O 3.48Å; I306-L311 VanDerWaalsContact CA-O 3.28Å; I306-L311 WeakPolarHBondContact CA-O 3.45Å; I306-L311 HydrophobicContact CG2-CD1 4.06Å; I306-M444 HydrophobicContact CG2-CE 4.45Å; I306-M444 HydrophobicContact CG2-SD 4.17Å
307	H	94.4	Very high	94.2	Very high	14 Å²	14	35.1 Å²	35.1	7%	0.065	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.6	172.3	-168.9	-102.9	0	0	0	110.6	F305 Q309 Y310 L311 N373	F305-H307 HydrophobicContact CE2-CB 4.34Å; H307-Q309 PolarHBondContact ND1-N 3.41Å; H307-Q309 PolarHBondContact O-N 3.39Å; H307-Q309 VanDerWaalsContact O-N 3.13Å; H307-Y310 AromaticContact CE1-CD2 3.65Å; H307-Y310 AromaticContact CE1-CE2 3.66Å; H307-Y310 AromaticContact ND1-CD2 3.11Å; H307-Y310 WeakPolarHBondContact ND1-CD2 3.18Å; H307-Y310 AromaticContact ND1-CE2 3.61Å; H307-Y310 AromaticContact ND1-CG 4Å; H307-Y310 PolarHBondContact O-N 2.89Å; H307-L311 PolarHBondContact N-O 3.11Å; H307-L311 WeakPolarHBondContact O-CA 3.26Å; H307-L311 PolarHBondContact O-N 3.31Å; H307-N373 PolarHBondContact CE1-OD1 3.2Å; H307-N373 PolarHBondContact NE2-OD1 3.42Å
308	A	93.2	Very high	94.3	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.6	-175.7	0	0	0	0	0	114.7	A255 M444 E445	A255-A308 HydrophobicContact CB-CB 3.93Å; A255-A308 PolarHBondContact N-O 3.12Å; A308-M444 HydrophobicContact CB-CB 4.31Å; A308-E445 HydrophobicContact CB-CG 4.29Å
309	Q	92.2	Very high	94.4	Very high	64 Å²	64	23.8 Å²	23.8	30%	0.299	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-22.6	-177.3	-68.9	179.8	-17.3	0	0	115.2	L254 H307	L254-Q309 WeakPolarHBondContact CD2-O 3.46Å; H307-Q309 PolarHBondContact ND1-N 3.41Å; H307-Q309 PolarHBondContact O-N 3.39Å; H307-Q309 VanDerWaalsContact O-N 3.13Å
310	Y	93.7	Very high	94.3	Very high	7 Å²	7	26.2 Å²	26.2	3%	0.027	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.2	4.7	-170.9	-48.8	-62.3	0	0	0	113.5	C200 F202 H307 N312 K353 L360 I372	C200-Y310 HydrophobicContact CB-CG 4.24Å; F202-Y310 HydrophobicContact CD1-CD1 4.32Å; F202-Y310 AromaticContact CD1-CE1 3.84Å; F202-Y310 HydrophobicContact CD1-CE1 3.84Å; F202-Y310 HydrophobicContact CE1-CE1 4.34Å; H307-Y310 AromaticContact CE1-CD2 3.65Å; H307-Y310 AromaticContact CE1-CE2 3.66Å; H307-Y310 AromaticContact ND1-CD2 3.11Å; H307-Y310 WeakPolarHBondContact ND1-CD2 3.18Å; H307-Y310 AromaticContact ND1-CE2 3.61Å; H307-Y310 AromaticContact ND1-CG 4Å; H307-Y310 PolarHBondContact O-N 2.89Å; Y310-N312 PolarHBondContact O-N 3.48Å; Y310-N312 VanDerWaalsContact O-N 3.08Å; Y310-K353 WeakPolarHBondContact OH-CD 3.35Å; Y310-L360 HydrophobicContact CD1-CD2 3.99Å; Y310-L360 HydrophobicContact CD2-CD2 3.33Å; Y310-L360 HydrophobicContact CE1-CD2 3.94Å; Y310-L360 HydrophobicContact CE2-CD2 3.3Å; Y310-L360 HydrophobicContact CG-CD2 3.71Å; Y310-I372 HydrophobicContact CD2-CG2 3.78Å; Y310-I372 HydrophobicContact CE2-CG2 3.52Å
311	L	95	Very high	94.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.9	-107.3	-178.6	-174.4	47.8	0	0	0	112.4	P204 I205 L258 R267 L270 I306 H307 C313	P204-L311 HydrophobicContact CB-CB 3.76Å; I205-L311 HydrophobicContact CD1-CD2 4.12Å; L258-L311 HydrophobicContact CD1-CB 4.39Å; L258-L311 HydrophobicContact CD1-CD1 3.96Å; L258-L311 HydrophobicContact CD2-CD1 4.06Å; L258-L311 HydrophobicContact CD2-CD2 4.25Å; R267-L311 HydrophobicContact CB-CD1 4.37Å; L270-L311 HydrophobicContact CB-CD2 3.86Å; I306-L311 CarbonylContact C-O 3.48Å; I306-L311 VanDerWaalsContact CA-O 3.28Å; I306-L311 WeakPolarHBondContact CA-O 3.45Å; I306-L311 HydrophobicContact CG2-CD1 4.06Å; H307-L311 PolarHBondContact N-O 3.11Å; H307-L311 WeakPolarHBondContact O-CA 3.26Å; H307-L311 PolarHBondContact O-N 3.31Å; L311-C313 PolarHBondContact O-N 2.84Å
312	N	95.3	Very high	94.2	Very high	21 Å²	21	28.6 Å²	28.6	11%	0.112	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.1	-172.9	-71.7	-8.9	0	0	0	111.3	R268 G271 Y272 Q273 Y310	R268-N312 PolarHBondContact O-ND2 2.03Å; G271-N312 WeakPolarHBondContact CA-ND2 3.5Å; G271-N312 PolarHBondContact O-ND2 3.29Å; Y272-N312 WeakPolarHBondContact O-CB 3.2Å; Y272-N312 PolarHBondContact O-ND2 3.19Å; Q273-N312 PolarHBondContact NE2-ND2 3.24Å; Y310-N312 PolarHBondContact O-N 3.48Å; Y310-N312 VanDerWaalsContact O-N 3.08Å
313	C	95.8	Very high	94.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	146.3	169.9	-67.8	0	0	0	0	111.1	T198 C200 K304 F305 L311 I372	T198-C313 HydrophobicContact CG2-CB 4.42Å; C200-C313 HydrophobicContact CB-CB 4.14Å; C200-C313 WeakPolarHBondContact CB-SG 3.11Å; C200-C313 WeakPolarHBondContact SG-CB 3.02Å; C200-C313 CovalentContact SG-SG 2.04Å; C200-C313 PolarHBondContact SG-SG 2.88Å; K304-C313 WeakPolarHBondContact CA-O 3.3Å; F305-C313 HydrophobicContact CD1-CB 4.36Å; F305-C313 HydrophobicContact CD2-CB 4.37Å; F305-C313 HydrophobicContact CE1-CB 3.92Å; F305-C313 HydrophobicContact CE2-CB 3.93Å; F305-C313 HydrophobicContact CZ-CB 3.71Å; F305-C313 PolarHBondContact N-O 3.44Å; F305-C313 PolarHBondContact O-N 3.24Å; L311-C313 PolarHBondContact O-N 2.84Å; C313-I372 HydrophobicContact CB-CD1 4.33Å
314	A	95.5	Very high	94.3	Very high	3 Å²	3	28 Å²	28	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.8	178.4	0	0	0	0	0	111.1	T198 I199 H274 W302 R303	T198-A314 CarbonylContact C-O 3.59Å; T198-A314 WeakPolarHBondContact CA-O 3.22Å; I199-A314 PolarHBondContact N-O 3.38Å; I199-A314 PolarHBondContact O-N 2.04Å; H274-A314 HydrophobicContact CB-CB 4.09Å; W302-A314 HydrophobicContact CE3-CB 4.12Å; W302-A314 HydrophobicContact CZ3-CB 4.19Å; R303-A314 WeakPolarHBondContact O-CA 3.33Å
315	T	95.8	Very high	94.3	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.5	177.1	-51.7	0	0	0	0	109.9	V197 T198 W302 R303 E317	V197-T315 CarbonylContact O-C 3.5Å; V197-T315 VanDerWaalsContact O-CA 3.3Å; V197-T315 WeakPolarHBondContact O-CA 3.02Å; T198-T315 WeakPolarHBondContact OG1-CB 3.37Å; T198-T315 VanDerWaalsContact OG1-CG2 3.29Å; T198-T315 WeakPolarHBondContact OG1-CG2 3.22Å; T198-T315 PolarHBondContact OG1-OG1 2.94Å; W302-T315 CarbonylContact C-O 3.58Å; W302-T315 VanDerWaalsContact CA-O 3.32Å; W302-T315 WeakPolarHBondContact CA-O 3.17Å; R303-T315 PolarHBondContact N-O 3.01Å; R303-T315 PolarHBondContact O-N 2.76Å; T315-E317 HydrophobicContact CG2-CG 3.95Å
316	F	96.1	Very high	94.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	130	167	-175.2	-116.8	0	0	0	110.6	V197 I283 C296 W302 P318 I329 M331	V197-F316 PolarHBondContact N-O 2.98Å; V197-F316 PolarHBondContact O-N 3.22Å; I283-F316 HydrophobicContact CD1-CE1 4.01Å; I283-F316 HydrophobicContact CD1-CZ 4.39Å; C296-F316 HydrophobicContact CB-CD2 4.18Å; C296-F316 HydrophobicContact CB-CE1 4.32Å; C296-F316 HydrophobicContact CB-CE2 3.61Å; C296-F316 HydrophobicContact CB-CZ 3.68Å; C296-F316 WeakPolarHBondContact O-CE2 3.47Å; W302-F316 HydrophobicContact CD2-CB 4.32Å; W302-F316 HydrophobicContact CD2-CD2 4.08Å; W302-F316 AromaticContact CE2-CD2 3.79Å; W302-F316 HydrophobicContact CE3-CB 3.94Å; W302-F316 HydrophobicContact CH2-CB 3.72Å; W302-F316 HydrophobicContact CH2-CD2 4.48Å; W302-F316 HydrophobicContact CH2-CG 4.34Å; W302-F316 HydrophobicContact CZ2-CB 4.12Å; W302-F316 HydrophobicContact CZ2-CD2 4.01Å; W302-F316 HydrophobicContact CZ2-CG 4.27Å; W302-F316 HydrophobicContact CZ3-CB 3.63Å; F316-P318 HydrophobicContact CD1-CG 4.28Å; F316-P318 HydrophobicContact CE1-CB 4.47Å; F316-P318 HydrophobicContact CE1-CG 3.87Å; F316-I329 HydrophobicContact CD1-CD1 3.88Å; F316-I329 HydrophobicContact CE1-CD1 3.88Å; F316-M331 HydrophobicContact CB-CE 4.11Å; F316-M331 HydrophobicContact CD1-CE 4.37Å; F316-M331 HydrophobicContact CG-CE 4.48Å
317	E	95.2	Very high	94.5	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	106.3	178.7	-54.7	-169.4	149.1	0	0	109.3	G300 I301 R303 T315	G300-E317 CarbonylContact C-O 3.52Å; G300-E317 WeakPolarHBondContact CA-O 3.31Å; I301-E317 PolarHBondContact N-O 3.1Å; I301-E317 PolarHBondContact O-N 3.08Å; R303-E317 IonicContact CZ-OE1 2.67Å; R303-E317 IonicContact CZ-OE2 2.79Å; R303-E317 IonicContact NE-OE1 2.71Å; R303-E317 PolarHBondContact NE-OE1 2.96Å; R303-E317 IonicContact NE-OE2 2.63Å; R303-E317 PolarHBondContact NE-OE2 2.7Å; R303-E317 IonicContact NH2-OE1 3.62Å; R303-E317 PolarHBondContact NH2-OE1 2.85Å; R303-E317 IonicContact NH2-OE2 3.56Å; R303-E317 PolarHBondContact NH2-OE2 3.49Å; T315-E317 HydrophobicContact CG2-CG 3.95Å
318	P	95.9	Very high	94.6	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	145.9	174	-18.7	29.5	0	0	0	111.1	F194 I283 F316 R323 I326 I329	F194-P318 HydrophobicContact CD1-CG 4.48Å; I283-P318 HydrophobicContact CD1-CB 4.25Å; I283-P318 HydrophobicContact CD1-CG 4.31Å; F316-P318 HydrophobicContact CD1-CG 4.28Å; F316-P318 HydrophobicContact CE1-CB 4.47Å; F316-P318 HydrophobicContact CE1-CG 3.87Å; P318-R323 HydrophobicContact CB-CG 4.37Å; P318-R323 VanDerWaalsContact O-CZ 3.3Å; P318-R323 PolarHBondContact O-NE 3.45Å; P318-R323 PolarHBondContact O-NH2 3Å; P318-I326 HydrophobicContact CB-CD1 3.46Å; P318-I326 VanDerWaalsContact CB-CD1 3.46Å; P318-I326 HydrophobicContact CG-CD1 3.82Å; P318-I329 HydrophobicContact CG-CD1 4.47Å
319	F	95.8	Very high	94.8	Very high	66 Å²	66	28 Å²	28	29%	0.289	14%	0.143	S	C	.	.			trans	-60.3	143.6	175.4	-62.4	-53	0	0	0	111.2	K299 I301 Y321 L322 R323	K299-F319 VanDerWaalsContact C-CE2 3.45Å; K299-F319 VanDerWaalsContact O-CD2 3.27Å; K299-F319 WeakPolarHBondContact O-CD2 3.35Å; K299-F319 PolarHBondContact O-N 2.77Å; I301-F319 HydrophobicContact CD1-CE1 4.11Å; I301-F319 HydrophobicContact CG1-CD1 4.28Å; I301-F319 HydrophobicContact CG1-CE1 3.67Å; F319-Y321 VanDerWaalsContact C-N 3.3Å; F319-Y321 HydrophobicContact CB-CD1 3.73Å; F319-Y321 HydrophobicContact CB-CE1 3.36Å; F319-Y321 AromaticContact CD2-CE1 3.91Å; F319-Y321 HydrophobicContact CD2-CE1 3.91Å; F319-Y321 AromaticContact CG-CE1 3.88Å; F319-Y321 HydrophobicContact CG-CE1 3.88Å; F319-Y321 PolarHBondContact O-N 2.81Å; F319-Y321 VanDerWaalsContact O-N 3.16Å; F319-L322 HydrophobicContact CB-CD1 4.36Å; F319-L322 HydrophobicContact CD2-CD1 4.33Å; F319-L322 PolarHBondContact O-N 2.99Å; F319-R323 PolarHBondContact O-N 3.15Å
320	S	93.6	Very high	95	Very high	88 Å²	88	27.1 Å²	27.1	62%	0.615	14%	0.139	S	C	*	.	G	3₁₀ helix	trans	-47.5	-47.8	-173.9	51.2	0	0	0	0	113.9	L322 R323	S320-L322 PolarHBondContact O-N 3.1Å; S320-L322 VanDerWaalsContact O-N 3.15Å; S320-R323 WeakPolarHBondContact O-CB 3.38Å; S320-R323 PolarHBondContact O-N 2.97Å; S320-R323 VanDerWaalsContact O-N 3.16Å
321	Y	92.8	Very high	95.1	Very high	143 Å²	143	26.8 Å²	26.8	56%	0.561	14%	0.138	S	C	*	.	G	3₁₀ helix	trans	-68.8	-5.7	-178.6	72.4	-87.9	0	0	0	115.4	F319	F319-Y321 VanDerWaalsContact C-N 3.3Å; F319-Y321 HydrophobicContact CB-CD1 3.73Å; F319-Y321 HydrophobicContact CB-CE1 3.36Å; F319-Y321 AromaticContact CD2-CE1 3.91Å; F319-Y321 HydrophobicContact CD2-CE1 3.91Å; F319-Y321 AromaticContact CG-CE1 3.88Å; F319-Y321 HydrophobicContact CG-CE1 3.88Å; F319-Y321 PolarHBondContact O-N 2.81Å; F319-Y321 VanDerWaalsContact O-N 3.16Å
322	L	93.6	Very high	95.1	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-105.5	-14.8	174.4	-63.8	168.1	0	0	0	112.5	Y285 K299 F319 S320 S324 D325 I326	Y285-L322 HydrophobicContact CD2-CD2 4.05Å; Y285-L322 HydrophobicContact CE2-CD2 4.22Å; Y285-L322 HydrophobicContact CG-CD2 4.31Å; K299-L322 HydrophobicContact CB-CD1 3.91Å; K299-L322 HydrophobicContact CD-CD1 3.52Å; K299-L322 HydrophobicContact CG-CD1 4.27Å; F319-L322 HydrophobicContact CB-CD1 4.36Å; F319-L322 HydrophobicContact CD2-CD1 4.33Å; F319-L322 PolarHBondContact O-N 2.99Å; S320-L322 PolarHBondContact O-N 3.1Å; S320-L322 VanDerWaalsContact O-N 3.15Å; L322-S324 PolarHBondContact O-N 2.69Å; L322-D325 PolarHBondContact O-N 2.85Å; L322-I326 HydrophobicContact CB-CD1 4.09Å; L322-I326 HydrophobicContact CB-CG1 4.41Å; L322-I326 VanDerWaalsContact O-CD1 3.29Å; L322-I326 WeakPolarHBondContact O-CD1 3.35Å; L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.43Å; L322-I326 PolarHBondContact O-N 3.16Å
323	R	94.2	Very high	95	Very high	30 Å²	30	26.9 Å²	26.9	11%	0.113	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-30.1	-171.8	-66.1	176.8	-169.7	170.1	-4	112.4	P193 F194 P318 F319 S320 D325 A366 D367	P193-R323 HydrophobicContact CB-CB 3.96Å; F194-R323 WeakPolarHBondContact CB-O 3.09Å; F194-R323 PolarHBondContact N-O 2.74Å; P318-R323 HydrophobicContact CB-CG 4.37Å; P318-R323 VanDerWaalsContact O-CZ 3.3Å; P318-R323 PolarHBondContact O-NE 3.45Å; P318-R323 PolarHBondContact O-NH2 3Å; F319-R323 PolarHBondContact O-N 3.15Å; S320-R323 WeakPolarHBondContact O-CB 3.38Å; S320-R323 PolarHBondContact O-N 2.97Å; S320-R323 VanDerWaalsContact O-N 3.16Å; R323-D325 VanDerWaalsContact C-N 3.31Å; R323-D325 PolarHBondContact O-N 2.83Å; R323-A366 VanDerWaalsContact NH1-CB 3.35Å; R323-D367 IonicContact CZ-OD1 2.8Å; R323-D367 IonicContact CZ-OD2 3.28Å; R323-D367 IonicContact NH1-OD1 2.75Å; R323-D367 IonicContact NH1-OD2 2.88Å; R323-D367 PolarHBondContact NH1-OD2 3.48Å; R323-D367 IonicContact NH2-OD1 3.39Å; R323-D367 PolarHBondContact NH2-OD1 3.49Å; R323-D367 IonicContact NH2-OD2 2.59Å; R323-D367 PolarHBondContact NH2-OD2 2.74Å
324	S	92.9	Very high	94.9	Very high	32 Å²	32	27 Å²	27	22%	0.224	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.9	174.3	49	0	0	0	0	113.8	L322 R592 F595	L322-S324 PolarHBondContact O-N 2.69Å; S324-R592 PolarHBondContact O-NH1 2.94Å; S324-R592 VanDerWaalsContact O-NH1 3.11Å; S324-R592 PolarHBondContact O-NH2 2.72Å; S324-F595 WeakPolarHBondContact O-CE1 3.04Å
325	D	93.4	Very high	94.6	Very high	58 Å²	58	26.8 Å²	26.8	31%	0.31	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-10.8	-156.9	-55.5	-11.5	0	0	0	114.1	Y285 L286 L322 R323 T327	Y285-D325 WeakPolarHBondContact CA-O 3.05Å; L286-D325 PolarHBondContact N-O 2.93Å; L322-D325 PolarHBondContact O-N 2.85Å; R323-D325 VanDerWaalsContact C-N 3.31Å; R323-D325 PolarHBondContact O-N 2.83Å; D325-T327 PolarHBondContact O-N 3.2Å
326	I	95.3	Very high	94	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.6	-177.7	-66.3	150.1	0	0	0	111	F194 I283 T284 P318 L322 I329 R592	F194-I326 HydrophobicContact CB-CB 4.04Å; F194-I326 HydrophobicContact CB-CD1 4.05Å; F194-I326 HydrophobicContact CB-CG2 4.43Å; F194-I326 HydrophobicContact CD1-CG2 4.03Å; F194-I326 HydrophobicContact CD2-CB 3.81Å; F194-I326 HydrophobicContact CD2-CG2 3.54Å; F194-I326 WeakPolarHBondContact CD2-O 3.41Å; F194-I326 HydrophobicContact CE1-CG2 4.19Å; F194-I326 HydrophobicContact CE2-CB 4.44Å; F194-I326 HydrophobicContact CE2-CG2 3.69Å; F194-I326 HydrophobicContact CG-CB 3.87Å; F194-I326 HydrophobicContact CG-CD1 4.35Å; F194-I326 HydrophobicContact CG-CG2 3.72Å; F194-I326 HydrophobicContact CZ-CG2 4.02Å; I283-I326 HydrophobicContact CD1-CD1 3.53Å; I283-I326 HydrophobicContact CD1-CG1 3.6Å; I283-I326 HydrophobicContact CD1-CG2 4.05Å; I283-I326 HydrophobicContact CG1-CD1 4.43Å; I283-I326 HydrophobicContact CG1-CG1 3.99Å; I283-I326 HydrophobicContact CG1-CG2 3.88Å; T284-I326 CarbonylContact O-C 3.57Å; T284-I326 WeakPolarHBondContact O-CA 3.16Å; P318-I326 HydrophobicContact CB-CD1 3.46Å; P318-I326 VanDerWaalsContact CB-CD1 3.46Å; P318-I326 HydrophobicContact CG-CD1 3.82Å; L322-I326 HydrophobicContact CB-CD1 4.09Å; L322-I326 HydrophobicContact CB-CG1 4.41Å; L322-I326 VanDerWaalsContact O-CD1 3.29Å; L322-I326 WeakPolarHBondContact O-CD1 3.35Å; L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.43Å; L322-I326 PolarHBondContact O-N 3.16Å; I326-I329 HydrophobicContact CG2-CG1 4.19Å; I326-R592 VanDerWaalsContact O-CZ 3.24Å; I326-R592 PolarHBondContact O-NE 3.21Å; I326-R592 PolarHBondContact O-NH2 3.07Å
327	T	94.7	Very high	93	Very high	24 Å²	24	28.8 Å²	28.8	15%	0.147	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-39.7	176	53.6	0	0	0	0	111.6	T284 L286 D325 R592 F595	T284-T327 WeakPolarHBondContact CG2-OG1 3.1Å; T284-T327 PolarHBondContact O-N 2.72Å; T284-T327 PolarHBondContact O-OG1 2.94Å; L286-T327 HydrophobicContact CD1-CG2 4.43Å; L286-T327 HydrophobicContact CD2-CG2 3.94Å; L286-T327 HydrophobicContact CG-CG2 3.85Å; D325-T327 PolarHBondContact O-N 3.2Å; T327-R592 PolarHBondContact O-N 2.93Å; T327-F595 HydrophobicContact CG2-CZ 4.45Å
328	N	96.1	Very high	91.8	Very high	38 Å²	38	31.1 Å²	31.1	20%	0.203	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.6	176.8	63.8	57	0	0	0	114.1	T284 L589 I590	T284-N328 WeakPolarHBondContact CB-OD1 3.49Å; T284-N328 PolarHBondContact N-O 3.39Å; T284-N328 PolarHBondContact O-N 2.79Å; T284-N328 PolarHBondContact OG1-OD1 2.97Å; N328-L589 HydrophobicContact CB-CD1 4.07Å; N328-I590 CarbonylContact C-O 3.51Å; N328-I590 WeakPolarHBondContact CA-O 3.25Å; N328-I590 VanDerWaalsContact CB-O 3.23Å; N328-I590 WeakPolarHBondContact CB-O 3.46Å
329	I	97	Very high	90.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124	165.5	-53.8	-177.5	0	0	0	108.4	F194 Q282 I283 F316 P318 I326 M331 I590	F194-I329 HydrophobicContact CD1-CD1 4.09Å; F194-I329 HydrophobicContact CE1-CD1 3.46Å; F194-I329 VanDerWaalsContact CE1-CD1 3.46Å; F194-I329 HydrophobicContact CE1-CG1 3.81Å; F194-I329 HydrophobicContact CZ-CD1 4.18Å; F194-I329 HydrophobicContact CZ-CG1 4.01Å; Q282-I329 CarbonylContact O-C 3.54Å; Q282-I329 WeakPolarHBondContact O-CA 3.35Å; I283-I329 HydrophobicContact CB-CG1 4.36Å; I283-I329 HydrophobicContact CD1-CD1 4.21Å; I283-I329 HydrophobicContact CD1-CG1 4.27Å; I283-I329 HydrophobicContact CG1-CG1 4.02Å; F316-I329 HydrophobicContact CD1-CD1 3.88Å; F316-I329 HydrophobicContact CE1-CD1 3.88Å; P318-I329 HydrophobicContact CG-CD1 4.47Å; I326-I329 HydrophobicContact CG2-CG1 4.19Å; I329-M331 HydrophobicContact CG2-CE 3.63Å; I329-M331 HydrophobicContact CG2-CG 3.99Å; I329-I590 PolarHBondContact N-O 3.29Å; I329-I590 PolarHBondContact O-N 2.91Å
330	E	96.8	Very high	88.5	Confident	45 Å²	45	36.4 Å²	36.4	21%	0.21	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.6	171.2	-172.7	-155.6	-144.5	0	0	109.1	K280 C281 Q282 Y332 I588 L589	K280-E330 IonicContact NZ-OE1 3.13Å; K280-E330 IonicContact NZ-OE2 3.92Å; K280-E330 PolarHBondContact NZ-OE2 2.86Å; C281-E330 WeakPolarHBondContact CA-O 3.45Å; Q282-E330 PolarHBondContact N-O 2.9Å; Q282-E330 PolarHBondContact O-N 2.72Å; E330-Y332 VanDerWaalsContact CD-CE1 3.44Å; E330-Y332 HydrophobicContact CG-CD1 4.48Å; E330-Y332 HydrophobicContact CG-CE1 3.85Å; E330-Y332 WeakPolarHBondContact OE1-CE1 3.43Å; E330-Y332 VanDerWaalsContact OE1-CZ 3.25Å; E330-Y332 PolarHBondContact OE1-OH 2.83Å; E330-I588 CarbonylContact C-O 3.56Å; E330-I588 WeakPolarHBondContact CA-O 3.29Å; E330-L589 HydrophobicContact CB-CD1 4.36Å
331	M	96.2	Very high	87	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.1	174.3	-56.4	-162	-165.1	0	0	111.3	V197 I199 I278 K280 C281 W302 F316 I329 A587 I588	V197-M331 HydrophobicContact CB-CE 4.42Å; V197-M331 HydrophobicContact CG1-CE 4.07Å; I199-M331 HydrophobicContact CD1-CE 4.3Å; I199-M331 HydrophobicContact CD1-SD 3.36Å; I199-M331 WeakPolarHBondContact CD1-SD 3.42Å; I278-M331 HydrophobicContact CD1-SD 4.41Å; I278-M331 HydrophobicContact CG2-CB 4.5Å; I278-M331 HydrophobicContact CG2-SD 4.36Å; K280-M331 WeakPolarHBondContact O-CA 3.45Å; C281-M331 HydrophobicContact CB-CG 4.35Å; W302-M331 HydrophobicContact CH2-CE 4.18Å; W302-M331 HydrophobicContact CH2-SD 4.05Å; F316-M331 HydrophobicContact CB-CE 4.11Å; F316-M331 HydrophobicContact CD1-CE 4.37Å; F316-M331 HydrophobicContact CG-CE 4.48Å; I329-M331 HydrophobicContact CG2-CE 3.63Å; I329-M331 HydrophobicContact CG2-CG 3.99Å; M331-A587 WeakPolarHBondContact O-CA 3.3Å; M331-I588 PolarHBondContact N-O 3.1Å; M331-I588 PolarHBondContact O-N 2.81Å
332	Y	94.7	Very high	85.8	Confident	22 Å²	22	37.3 Å²	37.3	9%	0.086	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	130.8	166.5	-56.8	-14.8	0	0	0	109.2	I279 K280 E330 W527 W532 A587	I279-Y332 PolarHBondContact N-O 2.84Å; K280-Y332 HydrophobicContact CB-CD2 3.88Å; K280-Y332 HydrophobicContact CB-CG 4.15Å; K280-Y332 HydrophobicContact CD-CD2 3.45Å; K280-Y332 VanDerWaalsContact CD-CD2 3.45Å; K280-Y332 HydrophobicContact CD-CE1 4.4Å; K280-Y332 HydrophobicContact CD-CE2 3.24Å; K280-Y332 HydrophobicContact CD-CG 4.11Å; K280-Y332 HydrophobicContact CG-CD2 4.32Å; K280-Y332 PolarHBondContact NZ-OH 2.84Å; K280-Y332 PolarHBondContact O-N 3.49Å; E330-Y332 VanDerWaalsContact CD-CE1 3.44Å; E330-Y332 HydrophobicContact CG-CD1 4.48Å; E330-Y332 HydrophobicContact CG-CE1 3.85Å; E330-Y332 WeakPolarHBondContact OE1-CE1 3.43Å; E330-Y332 VanDerWaalsContact OE1-CZ 3.25Å; E330-Y332 PolarHBondContact OE1-OH 2.83Å; Y332-W527 HydrophobicContact CD1-CH2 4.11Å; Y332-W527 HydrophobicContact CD1-CZ2 4.1Å; Y332-W527 HydrophobicContact CD2-CH2 4.39Å; Y332-W527 HydrophobicContact CD2-CZ2 4.35Å; Y332-W527 HydrophobicContact CE1-CZ2 4.11Å; Y332-W527 HydrophobicContact CE2-CZ2 4.33Å; Y332-W527 HydrophobicContact CG-CH2 4.07Å; Y332-W527 HydrophobicContact CG-CZ2 4.29Å; Y332-W532 HydrophobicContact CD2-CH2 4.46Å; Y332-W532 HydrophobicContact CD2-CZ2 4.39Å; Y332-W532 HydrophobicContact CE2-CH2 4.3Å; Y332-W532 AromaticContact CE2-CZ2 3.79Å; Y332-W532 HydrophobicContact CE2-CZ2 3.79Å; Y332-A587 HydrophobicContact CD1-CB 3.85Å; Y332-A587 HydrophobicContact CE1-CB 4.2Å
333	I	94.7	Very high	84.7	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.6	-179	-63.9	176.6	0	0	0	109.2	I199 L277 L335 A359 L585 L586 I588	I199-I333 HydrophobicContact CD1-CD1 4.23Å; I199-I333 HydrophobicContact CG2-CD1 3.68Å; L277-I333 HydrophobicContact CD1-CG2 3.84Å; L277-I333 HydrophobicContact CG-CG2 4.34Å; L277-I333 CarbonylContact O-C 3.51Å; L277-I333 WeakPolarHBondContact O-CA 3.41Å; L277-I333 WeakPolarHBondContact O-CG2 3.45Å; I333-L335 HydrophobicContact CG2-CD2 3.61Å; I333-L335 HydrophobicContact CG2-CG 4.18Å; I333-A359 HydrophobicContact CD1-CB 4.2Å; I333-L585 WeakPolarHBondContact O-CA 3.49Å; I333-L586 HydrophobicContact CB-CB 4.27Å; I333-L586 HydrophobicContact CB-CD2 4.33Å; I333-L586 HydrophobicContact CB-CG 4.37Å; I333-L586 HydrophobicContact CD1-CD2 3.92Å; I333-L586 HydrophobicContact CD1-CG 4.43Å; I333-L586 PolarHBondContact N-O 3.28Å; I333-L586 PolarHBondContact O-N 3.15Å; I333-L586 VanDerWaalsContact O-N 3.1Å; I333-I588 HydrophobicContact CD1-CD1 3.58Å; I333-I588 HydrophobicContact CD1-CG1 4.26Å
334	Y	92.1	Very high	84.3	Confident	5 Å²	5	40 Å²	40	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.1	169.5	-174.1	-111.7	0	0	0	109.6	L277 I279 D336 I547 K584 L585	L277-Y334 PolarHBondContact O-N 3.22Å; I279-Y334 HydrophobicContact CG2-CG 4.46Å; Y334-D336 HydrophobicContact CD1-CB 3.9Å; Y334-D336 HydrophobicContact CE1-CB 3.33Å; Y334-D336 PolarHBondContact OH-OD1 3.28Å; Y334-I547 HydrophobicContact CD1-CD1 3.98Å; Y334-I547 HydrophobicContact CD1-CG2 4.5Å; Y334-I547 HydrophobicContact CE1-CD1 4.01Å; Y334-I547 HydrophobicContact CE1-CG1 4.43Å; Y334-I547 HydrophobicContact CE1-CG2 3.62Å; Y334-I547 HydrophobicContact CE2-CG2 4.02Å; Y334-I547 VanDerWaalsContact OH-CG2 3.29Å; Y334-I547 WeakPolarHBondContact OH-CG2 3.44Å; Y334-K584 WeakPolarHBondContact CA-O 3.21Å; Y334-K584 HydrophobicContact CD2-CB 4.17Å; Y334-K584 HydrophobicContact CE2-CB 3.7Å; Y334-K584 HydrophobicContact CE2-CD 4.05Å; Y334-K584 HydrophobicContact CE2-CG 4.5Å; Y334-K584 WeakPolarHBondContact OH-CD 3.45Å; Y334-L585 HydrophobicContact CD2-CD2 3.88Å
335	L	90.5	Very high	84.1	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.			trans	-89.7	-18	-171.7	-60.4	171.7	0	0	0	113.5	N201 Y272 I333 E337 A359 P381 K584	N201-L335 PolarHBondContact ND2-O 2.9Å; N201-L335 VanDerWaalsContact ND2-O 3.16Å; Y272-L335 WeakPolarHBondContact CE1-O 3.31Å; Y272-L335 VanDerWaalsContact CZ-O 3.31Å; Y272-L335 PolarHBondContact OH-O 3.43Å; I333-L335 HydrophobicContact CG2-CD2 3.61Å; I333-L335 HydrophobicContact CG2-CG 4.18Å; L335-E337 PolarHBondContact O-N 2.84Å; L335-A359 HydrophobicContact CD2-CB 4.03Å; L335-P381 HydrophobicContact CD1-CB 4.04Å; L335-P381 HydrophobicContact CD1-CG 3.75Å; L335-K584 PolarHBondContact N-O 3.47Å
336	D	81.9	Confident	83.8	Confident	30 Å²	30	36.6 Å²	36.6	16%	0.16	20%	0.2	C	C	.	.			trans	38	38.1	-173.6	-147	9.6	0	0	0	116.6	P207 Y272 Y334 M338 K584	P207-D336 HydrophobicContact CG-CB 4.26Å; Y272-D336 HydrophobicContact CE1-CB 3.97Å; Y334-D336 HydrophobicContact CD1-CB 3.9Å; Y334-D336 HydrophobicContact CE1-CB 3.33Å; Y334-D336 PolarHBondContact OH-OD1 3.28Å; D336-M338 PolarHBondContact O-N 2.03Å; D336-K584 IonicContact OD1-NZ 3.1Å; D336-K584 PolarHBondContact OD1-NZ 3.05Å
337	E	76.2	Confident	83.4	Confident	12 Å²	12	37.2 Å²	37.2	6%	0.056	20%	0.204	C	C	.	.			trans	-70.8	127.7	-166.6	-163.2	175	174.7	0	0	113.2	R203 L335 L339 S357	R203-E337 WeakPolarHBondContact CD-OE1 3.38Å; R203-E337 HydrophobicContact CG-CG 3.87Å; R203-E337 WeakPolarHBondContact CG-OE1 3.39Å; R203-E337 IonicContact NE-OE1 3.96Å; R203-E337 PolarHBondContact NE-OE1 3.08Å; L335-E337 PolarHBondContact O-N 2.84Å; E337-L339 HydrophobicContact CB-CG 4.21Å; E337-L339 HydrophobicContact CG-CD2 4.17Å; E337-L339 HydrophobicContact CG-CG 3.79Å; E337-L339 PolarHBondContact O-N 3.06Å; E337-L339 WeakPolarHBondContact OE1-CD2 3.03Å; E337-S357 VanDerWaalsContact CD-OG 3.28Å; E337-S357 PolarHBondContact OE1-OG 3.05Å; E337-S357 WeakPolarHBondContact OE2-CB 3.27Å; E337-S357 PolarHBondContact OE2-OG 2.99Å; E337-S357 VanDerWaalsContact OE2-OG 3.1Å
338	M	70.2	Confident	83.1	Confident	52 Å²	52	36.5 Å²	36.5	26%	0.256	20%	0.199	S	C	.	.			trans	-82.2	52.1	179.4	-63.7	-179.7	-75.6	0	0	112.2	P207 L210 D336 N340 R341 I345	P207-M338 HydrophobicContact CB-CE 4.29Å; P207-M338 HydrophobicContact CB-SD 3.87Å; P207-M338 HydrophobicContact CG-CE 4.1Å; P207-M338 HydrophobicContact CG-CG 4.03Å; P207-M338 HydrophobicContact CG-SD 3.93Å; L210-M338 HydrophobicContact CB-CE 4.47Å; L210-M338 HydrophobicContact CD2-CE 4Å; L210-M338 HydrophobicContact CD2-SD 4.16Å; D336-M338 PolarHBondContact O-N 2.03Å; M338-N340 PolarHBondContact O-N 3.5Å; M338-R341 PolarHBondContact SD-NH1 3.44Å; M338-I345 HydrophobicContact CE-CD1 4.49Å
339	L	63.5	Low	82.4	Confident	72 Å²	72	42.5 Å²	42.5	38%	0.377	23%	0.225	S	C	.	.			trans	-60.4	-26	-175.2	-77.4	167.9	0	0	0	114.5	E337 R341 R583	E337-L339 HydrophobicContact CB-CG 4.21Å; E337-L339 HydrophobicContact CG-CD2 4.17Å; E337-L339 HydrophobicContact CG-CG 3.79Å; E337-L339 PolarHBondContact O-N 3.06Å; E337-L339 WeakPolarHBondContact OE1-CD2 3.03Å; L339-R341 PolarHBondContact O-N 2.91Å; L339-R583 HydrophobicContact CD1-CB 4.26Å; L339-R583 HydrophobicContact CD1-CG 4.31Å
340	N	58.2	Low	81.5	Confident	106 Å²	106	46.2 Å²	46.2	57%	0.567	26%	0.264	S	S	*	.	S	Bend	trans	-80.9	39.5	-172.8	-56.8	-27.3	0	0	0	113.1	M338 E552 R583	M338-N340 PolarHBondContact O-N 3.5Å; N340-E552 PolarHBondContact ND2-OE1 3.22Å; N340-R583 PolarHBondContact OD1-NH1 3.24Å
341	R	62.1	Low	80.8	Confident	132 Å²	132	46.5 Å²	46.5	50%	0.498	27%	0.265	S	S	.	.			trans	-134.5	132.1	175.8	-66.8	-172.3	-174.3	139.6	6.1	111.3	M338 L339 D343	M338-R341 PolarHBondContact SD-NH1 3.44Å; L339-R341 PolarHBondContact O-N 2.91Å; R341-D343 PolarHBondContact O-N 3.47Å
342	A	66.8	Low	80.3	Confident	118 Å²	118	52.1 Å²	52.1	98%	0.975	30%	0.299	S	S	*	.	S	Bend	trans	-67.9	-18.7	173.8	0	0	0	0	0	113.6
343	D	72.3	Confident	79.9	Confident	65 Å²	65	55.6 Å²	55.6	35%	0.348	32%	0.315	S	S	.	.	S	Bend	trans	-102.5	110.7	169.2	-176.9	30.5	0	0	0	111.2	R222 R341	R222-D343 WeakPolarHBondContact CD-OD1 3.38Å; R222-D343 IonicContact CZ-OD1 2.71Å; R222-D343 IonicContact NE-OD1 2.65Å; R222-D343 IonicContact NH1-OD1 2.63Å; R222-D343 PolarHBondContact NH1-OD1 2.88Å; R341-D343 PolarHBondContact O-N 3.47Å
344	C	84.7	Confident	79.5	Confident	30 Å²	30	56.2 Å²	56.2	20%	0.203	32%	0.319	C	S	.	.			trans	-83.1	115.2	164.9	178.1	0	0	0	0	109.8	R203 R222 D346 C347	R203-C344 PolarHBondContact NH2-SG 2.87Å; R222-C344 WeakPolarHBondContact CD-O 3Å; R222-C344 PolarHBondContact NH1-O 3.21Å; C344-D346 VanDerWaalsContact C-N 3.26Å; C344-D346 PolarHBondContact O-N 3.13Å; C344-D346 PolarHBondContact SG-OD1 3.34Å; C344-C347 HydrophobicContact CB-CB 3.61Å; C344-C347 WeakPolarHBondContact CB-SG 3.33Å; C344-C347 WeakPolarHBondContact SG-CB 3.44Å; C344-C347 PolarHBondContact SG-N 3.05Å; C344-C347 CovalentContact SG-SG 2.03Å; C344-C347 PolarHBondContact SG-SG 2.9Å
345	I	88.2	Confident	79.2	Confident	15 Å²	15	60.6 Å²	60.6	8%	0.077	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-16	-170	60.3	172.5	0	0	0	115.6	I205 L210 T220 P221 R222 M338	I205-I345 HydrophobicContact CB-CD1 4.01Å; I205-I345 HydrophobicContact CG2-CD1 3.85Å; L210-I345 HydrophobicContact CB-CD1 4.49Å; L210-I345 HydrophobicContact CD1-CD1 3.9Å; L210-I345 HydrophobicContact CD2-CD1 4.21Å; L210-I345 HydrophobicContact CG-CD1 4.43Å; T220-I345 HydrophobicContact CG2-CB 4.15Å; T220-I345 HydrophobicContact CG2-CG2 4.08Å; P221-I345 WeakPolarHBondContact CD-O 3.41Å; R222-I345 VanDerWaalsContact CB-O 3.24Å; R222-I345 WeakPolarHBondContact CB-O 3.05Å; R222-I345 PolarHBondContact N-O 2.93Å; M338-I345 HydrophobicContact CE-CD1 4.49Å
346	D	87.2	Confident	79.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.016	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-144.6	18.6	-167.8	57.3	-5.6	0	0	0	112.4	R203 P204 I205 P221 C344 F348	R203-D346 IonicContact CZ-OD1 3.42Å; R203-D346 VanDerWaalsContact CZ-OD1 3.24Å; R203-D346 IonicContact NH1-OD1 3.38Å; R203-D346 PolarHBondContact NH1-OD1 3.42Å; R203-D346 IonicContact NH1-OD2 3.56Å; R203-D346 IonicContact NH2-OD1 2.81Å; R203-D346 PolarHBondContact NH2-OD1 3.42Å; R203-D346 IonicContact NH2-OD2 3.68Å; P204-D346 WeakPolarHBondContact CD-OD2 3.4Å; P204-D346 HydrophobicContact CG-CB 4.48Å; P204-D346 WeakPolarHBondContact CG-OD2 3.42Å; I205-D346 HydrophobicContact CG1-CB 4.26Å; P221-D346 HydrophobicContact CB-CB 4.38Å; P221-D346 HydrophobicContact CG-CB 4.21Å; C344-D346 VanDerWaalsContact C-N 3.26Å; C344-D346 PolarHBondContact O-N 3.13Å; C344-D346 PolarHBondContact SG-OD1 3.34Å; D346-F348 WeakPolarHBondContact O-CD2 3.33Å; D346-F348 WeakPolarHBondContact O-CE2 3.43Å
347	C	88.4	Confident	79.4	Confident	13 Å²	13	64.3 Å²	64.3	9%	0.088	36%	0.363	C	S	.	.			trans	-91.9	127.9	168.8	-65.3	0	0	0	0	109.9	C344	C344-C347 HydrophobicContact CB-CB 3.61Å; C344-C347 WeakPolarHBondContact CB-SG 3.33Å; C344-C347 WeakPolarHBondContact SG-CB 3.44Å; C344-C347 PolarHBondContact SG-N 3.05Å; C344-C347 CovalentContact SG-SG 2.03Å; C344-C347 PolarHBondContact SG-SG 2.9Å
348	F	87.3	Confident	80.3	Confident	9 Å²	9	63.7 Å²	63.7	4%	0.039	36%	0.36	C	S	.	.			trans	-115.7	139	-179.4	-49.8	-78.5	0	0	0	110.7	P221 V225 L254 D346 G350 E351 S354 Q355	P221-F348 HydrophobicContact CB-CE1 4.24Å; P221-F348 HydrophobicContact CB-CZ 3.71Å; V225-F348 HydrophobicContact CB-CD1 4.27Å; V225-F348 HydrophobicContact CB-CE1 4.1Å; V225-F348 HydrophobicContact CG1-CD1 4.24Å; V225-F348 HydrophobicContact CG2-CD1 3.99Å; V225-F348 HydrophobicContact CG2-CE1 3.56Å; L254-F348 HydrophobicContact CB-CE2 3.96Å; L254-F348 HydrophobicContact CB-CZ 4.35Å; D346-F348 WeakPolarHBondContact O-CD2 3.33Å; D346-F348 WeakPolarHBondContact O-CE2 3.43Å; F348-G350 VanDerWaalsContact C-N 3.32Å; F348-G350 PolarHBondContact O-N 3.09Å; F348-E351 HydrophobicContact CB-CB 4.32Å; F348-E351 PolarHBondContact O-N 2.76Å; F348-S354 PolarHBondContact N-OG 3.23Å; F348-S354 PolarHBondContact O-OG 2.9Å; F348-Q355 PolarHBondContact O-NE2 3.26Å
349	H	80.9	Confident	81.4	Confident	163 Å²	163	61.2 Å²	61.2	76%	0.755	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-27.5	-176.2	-70.3	-79.8	0	0	0	113.4
350	G	77.8	Confident	83	Confident	78 Å²	78	57.8 Å²	57.8	80%	0.804	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-15.7	175.5	0	0	0	0	0	114.7	F348	F348-G350 VanDerWaalsContact C-N 3.32Å; F348-G350 PolarHBondContact O-N 3.09Å
351	E	84	Confident	84.8	Confident	52 Å²	52	52.8 Å²	52.8	24%	0.243	30%	0.303	C	S	.	.			trans	-116.5	88.9	-174.6	-63.6	-171.9	154.7	0	0	110.6	S253 F348 K353 S354	S253-E351 VanDerWaalsContact CB-OE1 3.26Å; S253-E351 WeakPolarHBondContact CB-OE1 3.39Å; F348-E351 HydrophobicContact CB-CB 4.32Å; F348-E351 PolarHBondContact O-N 2.76Å; E351-K353 PolarHBondContact O-N 3.39Å; E351-K353 VanDerWaalsContact O-N 3.09Å; E351-S354 WeakPolarHBondContact O-CB 3.41Å; E351-S354 PolarHBondContact O-N 3.23Å; E351-S354 PolarHBondContact O-OG 2.82Å
352	V	85.5	Confident	86.4	Confident	118 Å²	118	46.6 Å²	46.6	72%	0.715	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.8	179.5	-177.2	0	0	0	0	112.2	S354 Q355	V352-S354 PolarHBondContact O-N 3.29Å; V352-Q355 WeakPolarHBondContact O-CB 3.19Å; V352-Q355 PolarHBondContact O-N 3.41Å; V352-Q355 VanDerWaalsContact O-N 3.15Å
353	K	85.1	Confident	87.8	Confident	94 Å²	94	42.2 Å²	42.2	41%	0.409	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-60.7	-27.6	175.3	-66.1	-167.9	-177.4	-176.6	0	113.7	Y310 E351 Q355 L356	Y310-K353 WeakPolarHBondContact OH-CD 3.35Å; E351-K353 PolarHBondContact O-N 3.39Å; E351-K353 VanDerWaalsContact O-N 3.09Å; K353-Q355 PolarHBondContact O-N 3.04Å; K353-L356 HydrophobicContact CB-CD1 4.41Å; K353-L356 WeakPolarHBondContact O-CB 3.29Å; K353-L356 WeakPolarHBondContact O-CG 3.47Å; K353-L356 PolarHBondContact O-N 2.86Å
354	S	85.8	Confident	88.9	Confident	13 Å²	13	39.9 Å²	39.9	9%	0.091	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-71	-18	178.2	70.6	0	0	0	0	113.7	R203 F348 E351 V352 L356	R203-S354 PolarHBondContact NH1-O 3.29Å; F348-S354 PolarHBondContact N-OG 3.23Å; F348-S354 PolarHBondContact O-OG 2.9Å; E351-S354 WeakPolarHBondContact O-CB 3.41Å; E351-S354 PolarHBondContact O-N 3.23Å; E351-S354 PolarHBondContact O-OG 2.82Å; V352-S354 PolarHBondContact O-N 3.29Å; S354-L356 VanDerWaalsContact C-N 3.3Å
355	Q	85.9	Confident	89.4	Confident	97 Å²	97	39.2 Å²	39.2	45%	0.453	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-86.5	1.8	178.6	-45.3	-70.9	-25.4	0	0	112.4	F348 V352 K353	F348-Q355 PolarHBondContact O-NE2 3.26Å; V352-Q355 WeakPolarHBondContact O-CB 3.19Å; V352-Q355 PolarHBondContact O-N 3.41Å; V352-Q355 VanDerWaalsContact O-N 3.15Å; K353-Q355 PolarHBondContact O-N 3.04Å
356	L	89.1	Confident	89.6	Confident	60 Å²	60	39.2 Å²	39.2	31%	0.314	23%	0.228	S	C	.	.			trans	-89.8	135.7	-174.9	-62.1	177.5	0	0	0	112.3	F202 R203 K353 S354	F202-L356 HydrophobicContact CB-CB 4.24Å; F202-L356 WeakPolarHBondContact CB-O 3.39Å; F202-L356 HydrophobicContact CD1-CB 4.47Å; F202-L356 HydrophobicContact CD2-CB 3.91Å; F202-L356 HydrophobicContact CE1-CD1 4.37Å; F202-L356 HydrophobicContact CE2-CB 4.42Å; F202-L356 HydrophobicContact CG-CB 3.98Å; F202-L356 HydrophobicContact CZ-CD1 4.39Å; R203-L356 WeakPolarHBondContact CD-O 3.22Å; K353-L356 HydrophobicContact CB-CD1 4.41Å; K353-L356 WeakPolarHBondContact O-CB 3.29Å; K353-L356 WeakPolarHBondContact O-CG 3.47Å; K353-L356 PolarHBondContact O-N 2.86Å; S354-L356 VanDerWaalsContact C-N 3.3Å
357	S	89.2	Confident	89.7	Confident	48 Å²	48	40.5 Å²	40.5	34%	0.336	23%	0.234	S	C	.	.			trans	-101.8	131.4	172	-62.9	0	0	0	0	110.2	E337 P381	E337-S357 VanDerWaalsContact CD-OG 3.28Å; E337-S357 PolarHBondContact OE1-OG 3.05Å; E337-S357 WeakPolarHBondContact OE2-CB 3.27Å; E337-S357 PolarHBondContact OE2-OG 2.99Å; E337-S357 VanDerWaalsContact OE2-OG 3.1Å; S357-P381 WeakPolarHBondContact O-CD 3.31Å
358	G	93.4	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	132.8	-159.1	-174.5	0	0	0	0	0	114.1	N201 F202 L379	N201-G358 PolarHBondContact OD1-O 3.25Å; N201-G358 VanDerWaalsContact OD1-O 3.08Å; F202-G358 PolarHBondContact N-O 2.96Å; G358-L379 WeakPolarHBondContact CA-O 3.31Å
359	A	95.1	Very high	90.4	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	165.1	174.5	0	0	0	0	0	111.2	C200 F202 I333 L335 L379 L586	C200-A359 CarbonylContact O-C 3.48Å; C200-A359 VanDerWaalsContact O-CA 3.31Å; C200-A359 WeakPolarHBondContact O-CA 3.43Å; C200-A359 WeakPolarHBondContact O-CB 3.45Å; F202-A359 WeakPolarHBondContact CE2-O 3.48Å; F202-A359 WeakPolarHBondContact CZ-O 3.47Å; I333-A359 HydrophobicContact CD1-CB 4.2Å; L335-A359 HydrophobicContact CD2-CB 4.03Å; A359-L379 PolarHBondContact N-O 3.4Å; A359-L379 VanDerWaalsContact N-O 3.16Å; A359-L379 WeakPolarHBondContact O-CA 3.48Å; A359-L379 WeakPolarHBondContact O-CB 3.13Å; A359-L379 PolarHBondContact O-N 2.93Å; A359-L586 HydrophobicContact CB-CD2 3.73Å
360	L	95.1	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	153	164.5	73.9	90.7	0	0	0	110.6	I199 C200 F202 Y310 I372 I377	I199-L360 WeakPolarHBondContact CA-O 3.46Å; C200-L360 HydrophobicContact CB-CD1 4.31Å; C200-L360 HydrophobicContact CB-CD2 4.01Å; C200-L360 HydrophobicContact CB-CG 3.93Å; C200-L360 PolarHBondContact N-O 2.04Å; C200-L360 PolarHBondContact O-N 2.75Å; F202-L360 HydrophobicContact CE1-CB 3.81Å; F202-L360 HydrophobicContact CE1-CD2 4.25Å; F202-L360 HydrophobicContact CZ-CB 3.97Å; Y310-L360 HydrophobicContact CD1-CD2 3.99Å; Y310-L360 HydrophobicContact CD2-CD2 3.33Å; Y310-L360 HydrophobicContact CE1-CD2 3.94Å; Y310-L360 HydrophobicContact CE2-CD2 3.3Å; Y310-L360 HydrophobicContact CG-CD2 3.71Å; L360-I372 HydrophobicContact CD1-CG1 4.28Å; L360-I372 HydrophobicContact CD1-CG2 3.94Å; L360-I372 HydrophobicContact CD2-CG2 3.84Å; L360-I377 WeakPolarHBondContact CA-O 3.31Å
361	I	96.7	Very high	91.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.9	168.6	-176.1	166.1	0	0	0	110.5	V197 T198 I199 I363 S376 I377 L379 L387 I588 I590	V197-I361 HydrophobicContact CG1-CD1 3.65Å; V197-I361 HydrophobicContact CG1-CG1 3.99Å; T198-I361 CarbonylContact O-C 3.54Å; T198-I361 VanDerWaalsContact O-CA 3.29Å; T198-I361 WeakPolarHBondContact O-CA 3.31Å; I199-I361 HydrophobicContact CG1-CB 4.49Å; I199-I361 HydrophobicContact CG1-CG1 4.31Å; I361-I363 HydrophobicContact CG1-CG1 4.39Å; I361-S376 CarbonylContact O-C 3.55Å; I361-S376 WeakPolarHBondContact O-CA 3.43Å; I361-I377 HydrophobicContact CG2-CB 3.92Å; I361-I377 PolarHBondContact N-O 3.49Å; I361-I377 PolarHBondContact O-N 3.35Å; I361-L379 HydrophobicContact CB-CD1 3.84Å; I361-L379 HydrophobicContact CG2-CD1 3.67Å; I361-L379 HydrophobicContact CG2-CD2 3.92Å; I361-L379 HydrophobicContact CG2-CG 3.89Å; I361-L387 HydrophobicContact CD1-CD1 4.02Å; I361-L387 HydrophobicContact CG2-CD1 3.96Å; I361-I588 HydrophobicContact CD1-CD1 4.07Å; I361-I588 HydrophobicContact CD1-CG2 4.16Å; I361-I590 HydrophobicContact CD1-CD1 3.68Å; I361-I590 HydrophobicContact CD1-CG1 4.3Å
362	S	96.4	Very high	92.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	130.2	171	-176.8	0	0	0	0	109.4	T198 N371 K375	T198-S362 PolarHBondContact N-O 2.93Å; T198-S362 PolarHBondContact O-N 2.98Å; S362-N371 PolarHBondContact OG-O 3.09Å; S362-K375 VanDerWaalsContact CB-O 3.28Å; S362-K375 WeakPolarHBondContact CB-O 3.46Å; S362-K375 PolarHBondContact OG-O 3.08Å
363	I	96.2	Very high	92.4	Very high	26 Å²	26	25.3 Å²	25.3	13%	0.133	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.8	-178.3	-62.3	162.5	0	0	0	107.4	P195 I361 L387 L389 Y518	P195-I363 HydrophobicContact CB-CG2 3.63Å; P195-I363 HydrophobicContact CG-CG2 3.51Å; I361-I363 HydrophobicContact CG1-CG1 4.39Å; I363-L387 HydrophobicContact CD1-CD1 3.98Å; I363-L389 HydrophobicContact CD1-CD2 3.95Å; I363-L389 HydrophobicContact CG2-CD2 4.21Å; I363-Y518 HydrophobicContact CG2-CG 4.34Å
364	H	95.7	Very high	92.6	Very high	16 Å²	16	26.9 Å²	26.9	7%	0.074	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	165.8	-169	60.2	112.4	0	0	0	113.1	P195 S196 T198 T368	P195-H364 WeakPolarHBondContact CA-O 3.06Å; P195-H364 WeakPolarHBondContact CB-O 3.03Å; S196-H364 VanDerWaalsContact CB-CE1 3.43Å; S196-H364 WeakPolarHBondContact CB-CE1 3.42Å; S196-H364 PolarHBondContact N-O 2.9Å; S196-H364 PolarHBondContact O-CD2 3.01Å; S196-H364 VanDerWaalsContact O-CD2 3.24Å; S196-H364 PolarHBondContact O-N 3.29Å; T198-H364 PolarHBondContact OG1-NE2 3.29Å; H364-T368 PolarHBondContact CE1-O 2.64Å; H364-T368 PolarHBondContact ND1-O 3.04Å; H364-T368 PolarHBondContact ND1-OG1 3.28Å
365	G	94.3	Very high	92.8	Very high	17 Å²	17	33.5 Å²	33.5	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	-56.7	143.4	178.2	0	0	0	0	0	112	D367 T368	G365-D367 PolarHBondContact O-N 2.04Å; G365-T368 PolarHBondContact N-OG1 3.26Å; G365-T368 WeakPolarHBondContact O-CB 3.44Å; G365-T368 WeakPolarHBondContact O-CG2 3.45Å; G365-T368 PolarHBondContact O-N 2.83Å; G365-T368 VanDerWaalsContact O-N 3.07Å; G365-T368 PolarHBondContact O-OG1 2.89Å
366	A	91.5	Very high	93.2	Very high	15 Å²	15	30.2 Å²	30.2	12%	0.124	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	136	-173.6	0	0	0	0	0	112	R323 T368 N420	R323-A366 VanDerWaalsContact NH1-CB 3.35Å; A366-T368 PolarHBondContact O-N 3.21Å; A366-T368 VanDerWaalsContact O-N 3.08Å; A366-N420 PolarHBondContact O-ND2 3.16Å
367	D	91.1	Very high	93.5	Very high	29 Å²	29	29.4 Å²	29.4	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	11.4	-174	-28.9	-73.1	0	0	0	116.1	S196 R303 R323 G365 Y419 N420	S196-D367 PolarHBondContact OG-N 3.4Å; R303-D367 IonicContact NH2-OD1 2.7Å; R323-D367 IonicContact CZ-OD1 2.8Å; R323-D367 IonicContact CZ-OD2 3.28Å; R323-D367 IonicContact NH1-OD1 2.75Å; R323-D367 IonicContact NH1-OD2 2.88Å; R323-D367 PolarHBondContact NH1-OD2 3.48Å; R323-D367 IonicContact NH2-OD1 3.39Å; R323-D367 PolarHBondContact NH2-OD1 3.49Å; R323-D367 IonicContact NH2-OD2 2.59Å; R323-D367 PolarHBondContact NH2-OD2 2.74Å; G365-D367 PolarHBondContact O-N 2.04Å; D367-Y419 CarbonylContact O-C 2.87Å; D367-Y419 VanDerWaalsContact O-CA 3.31Å; D367-Y419 WeakPolarHBondContact O-CA 3.48Å; D367-Y419 WeakPolarHBondContact O-CB 3.29Å; D367-Y419 WeakPolarHBondContact O-CD1 3.47Å; D367-N420 HydrophobicContact CB-CB 4.34Å; D367-N420 WeakPolarHBondContact CB-ND2 3.46Å; D367-N420 PolarHBondContact O-N 3.32Å; D367-N420 PolarHBondContact OD2-ND2 3.5Å; D367-N420 VanDerWaalsContact OD2-ND2 3.1Å
368	T	94.4	Very high	93.8	Very high	23 Å²	23	31.6 Å²	31.6	14%	0.141	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-86.8	160.1	177.6	67.4	0	0	0	0	112.4	H364 G365 A366 N420	H364-T368 PolarHBondContact CE1-O 2.64Å; H364-T368 PolarHBondContact ND1-O 3.04Å; H364-T368 PolarHBondContact ND1-OG1 3.28Å; G365-T368 PolarHBondContact N-OG1 3.26Å; G365-T368 WeakPolarHBondContact O-CB 3.44Å; G365-T368 WeakPolarHBondContact O-CG2 3.45Å; G365-T368 PolarHBondContact O-N 2.83Å; G365-T368 VanDerWaalsContact O-N 3.07Å; G365-T368 PolarHBondContact O-OG1 2.89Å; A366-T368 PolarHBondContact O-N 3.21Å; A366-T368 VanDerWaalsContact O-N 3.08Å; T368-N420 HydrophobicContact CG2-CB 4.05Å
369	L	94.7	Very high	93.9	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.047	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-66.5	124.7	171.3	-175.6	77.2	0	0	0	110.8	L414 Y415 Y424 A425 V428 P447	L369-L414 HydrophobicContact CB-CD1 4.33Å; L369-L414 HydrophobicContact CD1-CD1 4.15Å; L369-L414 HydrophobicContact CD2-CD1 3.99Å; L369-L414 HydrophobicContact CG-CD1 4.39Å; L369-Y415 HydrophobicContact CD1-CE2 3.94Å; L369-Y424 HydrophobicContact CD2-CD1 4.03Å; L369-Y424 HydrophobicContact CD2-CE1 3.68Å; L369-Y424 HydrophobicContact CG-CE1 4.17Å; L369-A425 HydrophobicContact CB-CB 3.99Å; L369-A425 HydrophobicContact CD2-CB 4.21Å; L369-V428 HydrophobicContact CD2-CG2 3.65Å; L369-P447 HydrophobicContact CD1-CG 4.2Å; L369-P447 HydrophobicContact CD2-CG 3.78Å
370	P	95.3	Very high	93.8	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.039	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-68.1	138	175.1	27.6	-34.9	0	0	0	112	T198 F305 I372	T198-P370 HydrophobicContact CG2-CB 4.23Å; T198-P370 HydrophobicContact CG2-CG 4.08Å; T198-P370 WeakPolarHBondContact OG1-CB 3.47Å; T198-P370 WeakPolarHBondContact OG1-CG 3.41Å; F305-P370 HydrophobicContact CE1-CG 3.85Å; F305-P370 HydrophobicContact CZ-CG 3.62Å; P370-I372 PolarHBondContact O-N 2.95Å
371	N	93.9	Very high	93.8	Very high	18 Å²	18	39.4 Å²	39.4	10%	0.096	21%	0.206	C	C	.	.			trans	-94.3	90.4	166	-175.3	-16.9	0	0	0	109.4	S362 N373 D374 K375 Y424	S362-N371 PolarHBondContact OG-O 3.09Å; N371-N373 PolarHBondContact OD1-N 2.96Å; N371-D374 PolarHBondContact ND2-OD2 3.39Å; N371-D374 PolarHBondContact OD1-N 3.15Å; N371-D374 PolarHBondContact OD1-OD2 3.16Å; N371-K375 HydrophobicContact CB-CB 4.41Å; N371-K375 CarbonylContact O-C 3.55Å; N371-K375 WeakPolarHBondContact O-CA 3.46Å; N371-K375 WeakPolarHBondContact O-CB 3.43Å; N371-K375 PolarHBondContact O-N 3.17Å; N371-K375 VanDerWaalsContact O-N 3.11Å; N371-Y424 HydrophobicContact CB-CD1 4Å; N371-Y424 HydrophobicContact CB-CD2 4.3Å; N371-Y424 HydrophobicContact CB-CE1 3.62Å; N371-Y424 HydrophobicContact CB-CE2 3.94Å; N371-Y424 HydrophobicContact CB-CG 4.33Å; N371-Y424 VanDerWaalsContact CG-CE2 3.49Å; N371-Y424 VanDerWaalsContact CG-CZ 3.5Å; N371-Y424 WeakPolarHBondContact ND2-CE2 3.28Å
372	I	93.7	Very high	93.6	Very high	2 Å²	2	40 Å²	40	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-35.7	178.1	-73.5	166.4	0	0	0	112	T198 F305 Y310 C313 L360 P370 S376	T198-I372 HydrophobicContact CG2-CD1 4.09Å; T198-I372 HydrophobicContact CG2-CG1 4.32Å; F305-I372 HydrophobicContact CE2-CD1 3.76Å; F305-I372 HydrophobicContact CZ-CD1 3.54Å; Y310-I372 HydrophobicContact CD2-CG2 3.78Å; Y310-I372 HydrophobicContact CE2-CG2 3.52Å; C313-I372 HydrophobicContact CB-CD1 4.33Å; L360-I372 HydrophobicContact CD1-CG1 4.28Å; L360-I372 HydrophobicContact CD1-CG2 3.94Å; L360-I372 HydrophobicContact CD2-CG2 3.84Å; P370-I372 PolarHBondContact O-N 2.95Å; I372-S376 VanDerWaalsContact O-CB 3.24Å; I372-S376 WeakPolarHBondContact O-CB 3.37Å; I372-S376 PolarHBondContact O-OG 2.62Å; I372-S376 VanDerWaalsContact O-OG 3.08Å
373	N	88.7	Confident	93.6	Very high	56 Å²	56	40.3 Å²	40.3	30%	0.299	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-36.9	-168.4	-69.2	-33.3	0	0	0	112.9	H307 N371	H307-N373 PolarHBondContact CE1-OD1 3.2Å; H307-N373 PolarHBondContact NE2-OD1 3.42Å; N371-N373 PolarHBondContact OD1-N 2.96Å
374	D	88.7	Confident	93.6	Very high	127 Å²	127	41.2 Å²	41.2	68%	0.679	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-21.2	-175.9	-41.7	-37.8	0	0	0	113	N371	N371-D374 PolarHBondContact ND2-OD2 3.39Å; N371-D374 PolarHBondContact OD1-N 3.15Å; N371-D374 PolarHBondContact OD1-OD2 3.16Å
375	K	89.8	Confident	93.7	Very high	152 Å²	152	40.5 Å²	40.5	66%	0.661	22%	0.216	S	C	*	.	S	Bend	trans	-130.1	55.1	-174.2	-60.1	-165.7	176.9	-169.1	0	112.4	S362 N371	S362-K375 VanDerWaalsContact CB-O 3.28Å; S362-K375 WeakPolarHBondContact CB-O 3.46Å; S362-K375 PolarHBondContact OG-O 3.08Å; N371-K375 HydrophobicContact CB-CB 4.41Å; N371-K375 CarbonylContact O-C 3.55Å; N371-K375 WeakPolarHBondContact O-CA 3.46Å; N371-K375 WeakPolarHBondContact O-CB 3.43Å; N371-K375 PolarHBondContact O-N 3.17Å; N371-K375 VanDerWaalsContact O-N 3.11Å
376	S	93.9	Very high	93.9	Very high	29 Å²	29	41.2 Å²	41.2	20%	0.203	22%	0.215	C	C	.	.			trans	-122.2	146.9	169.9	69.6	0	0	0	0	113	I361 I372	I361-S376 CarbonylContact O-C 3.55Å; I361-S376 WeakPolarHBondContact O-CA 3.43Å; I372-S376 VanDerWaalsContact O-CB 3.24Å; I372-S376 WeakPolarHBondContact O-CB 3.37Å; I372-S376 PolarHBondContact O-OG 2.62Å; I372-S376 VanDerWaalsContact O-OG 3.08Å
377	I	95.3	Very high	94.1	Very high	43 Å²	43	40.5 Å²	40.5	22%	0.221	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	136.8	170.5	-60.7	170.9	0	0	0	108.7	L360 I361 L379 L387 S520	L360-I377 WeakPolarHBondContact CA-O 3.31Å; I361-I377 HydrophobicContact CG2-CB 3.92Å; I361-I377 PolarHBondContact N-O 3.49Å; I361-I377 PolarHBondContact O-N 3.35Å; I377-L379 HydrophobicContact CG2-CD2 4.36Å; I377-L387 HydrophobicContact CD1-CD2 4.07Å; I377-S520 VanDerWaalsContact CD1-OG 3.25Å; I377-S520 WeakPolarHBondContact CD1-OG 3.44Å
378	N	94.9	Very high	94.4	Very high	93 Å²	93	44.3 Å²	44.3	50%	0.497	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.4	177.4	-61.2	-7.5	0	0	0	110.4	F202	F202-N378 HydrophobicContact CE2-CB 4.2Å; F202-N378 HydrophobicContact CZ-CB 3.83Å; F202-N378 WeakPolarHBondContact CZ-OD1 3.48Å
379	L	95.5	Very high	94.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125	-175.9	-56.1	176.7	0	0	0	111.1	G358 A359 I361 I377 T385 L586 I588	G358-L379 WeakPolarHBondContact CA-O 3.31Å; A359-L379 PolarHBondContact N-O 3.4Å; A359-L379 VanDerWaalsContact N-O 3.16Å; A359-L379 WeakPolarHBondContact O-CA 3.48Å; A359-L379 WeakPolarHBondContact O-CB 3.13Å; A359-L379 PolarHBondContact O-N 2.93Å; I361-L379 HydrophobicContact CB-CD1 3.84Å; I361-L379 HydrophobicContact CG2-CD1 3.67Å; I361-L379 HydrophobicContact CG2-CD2 3.92Å; I361-L379 HydrophobicContact CG2-CG 3.89Å; I377-L379 HydrophobicContact CG2-CD2 4.36Å; L379-T385 HydrophobicContact CD2-CG2 3.76Å; L379-L586 HydrophobicContact CB-CD1 3.96Å; L379-L586 HydrophobicContact CB-CD2 3.52Å; L379-L586 HydrophobicContact CB-CG 4.4Å; L379-L586 HydrophobicContact CD1-CD2 4.01Å; L379-L586 HydrophobicContact CG-CD2 4.45Å; L379-I588 HydrophobicContact CD1-CD1 3.33Å; L379-I588 HydrophobicContact CD1-CG1 3.82Å
380	K	93.9	Very high	94.5	Very high	140 Å²	140	43.9 Å²	43.9	61%	0.609	22%	0.22	S	C	*	.			trans	-86.6	136	-172.7	-169.6	-168.9	169.7	-176	0	111.6	T383	K380-T383 HydrophobicContact CB-CG2 4.12Å; K380-T383 HydrophobicContact CD-CG2 4.01Å; K380-T383 HydrophobicContact CG-CG2 4.35Å; K380-T383 PolarHBondContact O-OG1 3.19Å
381	P	94.3	Very high	94.5	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.143	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	149.2	167.1	-19.4	29.8	0	0	0	112	L335 S357 T383 E582	L335-P381 HydrophobicContact CD1-CB 4.04Å; L335-P381 HydrophobicContact CD1-CG 3.75Å; S357-P381 WeakPolarHBondContact O-CD 3.31Å; P381-T383 VanDerWaalsContact C-N 3.32Å; P381-T383 PolarHBondContact O-N 3.37Å; P381-E582 CarbonylContact C-O 3.59Å
382	G	93.7	Very high	94.5	Very high	14 Å²	14	43.5 Å²	43.5	14%	0.144	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	23.1	175.2	0	0	0	0	0	113.6	W527 E582 L585	G382-W527 CarbonylContact C-O 3.55Å; G382-W527 WeakPolarHBondContact CA-O 3.39Å; G382-W527 PolarHBondContact O-N 3.34Å; G382-W527 VanDerWaalsContact O-N 3.16Å; G382-E582 WeakPolarHBondContact CA-O 3.29Å; G382-E582 PolarHBondContact N-O 2.82Å; G382-L585 PolarHBondContact N-O 3.1Å
383	T	96.1	Very high	94.6	Very high	7 Å²	7	44.6 Å²	44.6	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.9	176.6	76.5	0	0	0	0	113.1	K380 P381 I524 S525 W527 A587	K380-T383 HydrophobicContact CB-CG2 4.12Å; K380-T383 HydrophobicContact CD-CG2 4.01Å; K380-T383 HydrophobicContact CG-CG2 4.35Å; K380-T383 PolarHBondContact O-OG1 3.19Å; P381-T383 VanDerWaalsContact C-N 3.32Å; P381-T383 PolarHBondContact O-N 3.37Å; T383-I524 HydrophobicContact CG2-CG2 3.64Å; T383-S525 CarbonylContact C-O 3.58Å; T383-S525 WeakPolarHBondContact CA-O 3.5Å; T383-S525 WeakPolarHBondContact CB-O 3.05Å; T383-W527 PolarHBondContact N-O 3.13Å; T383-A587 PolarHBondContact O-N 3.38Å
384	L	96.9	Very high	94.9	Very high	46 Å²	46	43.1 Å²	43.1	24%	0.241	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.7	156.4	169.7	64	0	0	0	106.6	I524 S525 W527 A587 L589	L384-I524 WeakPolarHBondContact O-CA 3.41Å; L384-S525 PolarHBondContact N-O 3.23Å; L384-S525 PolarHBondContact O-N 3.32Å; L384-W527 HydrophobicContact CB-CB 3.86Å; L384-W527 HydrophobicContact CB-CG 4.21Å; L384-A587 WeakPolarHBondContact CA-O 3.32Å; L384-A587 HydrophobicContact CB-CB 4.28Å; L384-A587 HydrophobicContact CD1-CB 3.6Å; L384-L589 HydrophobicContact CD1-CB 4.18Å
385	T	97.6	Very high	95.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.3	170.7	-61	0	0	0	0	109.4	L379 L387 Q522 S523 I524 A587 I588 L589	L379-T385 HydrophobicContact CD2-CG2 3.76Å; T385-L387 HydrophobicContact CG2-CD2 3.86Å; T385-L387 HydrophobicContact CG2-CG 4.08Å; T385-Q522 HydrophobicContact CG2-CG 3.74Å; T385-S523 CarbonylContact C-O 3.44Å; T385-S523 WeakPolarHBondContact CA-O 3.36Å; T385-I524 HydrophobicContact CG2-CG1 4.39Å; T385-A587 PolarHBondContact N-O 3.43Å; T385-I588 CarbonylContact O-C 3.59Å; T385-I588 WeakPolarHBondContact O-CA 3.27Å; T385-L589 PolarHBondContact O-N 2.9Å
386	E	97.3	Very high	95.4	Very high	32 Å²	32	33.8 Å²	33.8	15%	0.15	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	135.1	166	179.8	-168.3	-170.9	0	0	109.2	R388 S523 L589 N591	E386-R388 HydrophobicContact CG-CG 4.18Å; E386-R388 WeakPolarHBondContact OE1-CG 3.37Å; E386-R388 IonicContact OE1-CZ 2.74Å; E386-R388 IonicContact OE1-NE 3.61Å; E386-R388 PolarHBondContact OE1-NE 2.61Å; E386-R388 IonicContact OE1-NH2 2.68Å; E386-R388 PolarHBondContact OE1-NH2 3.29Å; E386-R388 IonicContact OE2-CZ 2.84Å; E386-R388 IonicContact OE2-NE 2.76Å; E386-R388 PolarHBondContact OE2-NE 3.09Å; E386-R388 IonicContact OE2-NH2 2.68Å; E386-R388 PolarHBondContact OE2-NH2 3.4Å; E386-S523 WeakPolarHBondContact CB-OG 3.49Å; E386-S523 PolarHBondContact N-O 2.85Å; E386-S523 PolarHBondContact O-N 3.48Å; E386-S523 PolarHBondContact OE2-OG 2.94Å; E386-L589 CarbonylContact C-O 3.51Å; E386-L589 VanDerWaalsContact CA-O 3.27Å; E386-L589 WeakPolarHBondContact CA-O 3.32Å; E386-L589 HydrophobicContact CB-CB 4.48Å; E386-L589 HydrophobicContact CG-CD2 4.41Å; E386-L589 HydrophobicContact CG-CG 4.49Å; E386-N591 HydrophobicContact CG-CB 4.49Å; E386-N591 PolarHBondContact OE1-ND2 3.11Å
387	L	97.3	Very high	95.4	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	108.9	176.1	-63.5	177.5	0	0	0	108.9	I361 I363 I377 T385 E521 Q522 I588 L589 N591	I361-L387 HydrophobicContact CD1-CD1 4.02Å; I361-L387 HydrophobicContact CG2-CD1 3.96Å; I363-L387 HydrophobicContact CD1-CD1 3.98Å; I377-L387 HydrophobicContact CD1-CD2 4.07Å; T385-L387 HydrophobicContact CG2-CD2 3.86Å; T385-L387 HydrophobicContact CG2-CG 4.08Å; L387-E521 WeakPolarHBondContact CA-O 3.46Å; L387-Q522 HydrophobicContact CD2-CB 3.91Å; L387-Q522 HydrophobicContact CD2-CG 3.81Å; L387-I588 HydrophobicContact CD1-CG2 4.33Å; L387-L589 PolarHBondContact N-O 3.01Å; L387-N591 PolarHBondContact O-N 2.91Å
388	R	96.9	Very high	95.3	Very high	109 Å²	109	36.9 Å²	36.9	41%	0.411	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	113.1	-179.2	-64.7	-178.2	-179.3	161.3	10.9	110.3	E386 S520 E521 N591	E386-R388 HydrophobicContact CG-CG 4.18Å; E386-R388 WeakPolarHBondContact OE1-CG 3.37Å; E386-R388 IonicContact OE1-CZ 2.74Å; E386-R388 IonicContact OE1-NE 3.61Å; E386-R388 PolarHBondContact OE1-NE 2.61Å; E386-R388 IonicContact OE1-NH2 2.68Å; E386-R388 PolarHBondContact OE1-NH2 3.29Å; E386-R388 IonicContact OE2-CZ 2.84Å; E386-R388 IonicContact OE2-NE 2.76Å; E386-R388 PolarHBondContact OE2-NE 3.09Å; E386-R388 IonicContact OE2-NH2 2.68Å; E386-R388 PolarHBondContact OE2-NH2 3.4Å; R388-S520 VanDerWaalsContact O-CA 3.3Å; R388-S520 WeakPolarHBondContact O-CA 3.28Å; R388-E521 HydrophobicContact CB-CB 4.36Å; R388-E521 PolarHBondContact N-O 2.87Å; R388-E521 PolarHBondContact O-N 2.84Å; R388-N591 WeakPolarHBondContact CA-O 3.45Å
389	L	95.9	Very high	95.1	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.1	-174.7	-58.3	-178.5	0	0	0	111.9	F194 P195 I363 E519 I590 N591 P593	F194-L389 HydrophobicContact CD2-CD1 4.36Å; F194-L389 HydrophobicContact CE1-CD1 4.39Å; F194-L389 HydrophobicContact CE2-CD1 3.77Å; F194-L389 HydrophobicContact CZ-CD1 3.78Å; P195-L389 HydrophobicContact CG-CD1 3.75Å; I363-L389 HydrophobicContact CD1-CD2 3.95Å; I363-L389 HydrophobicContact CG2-CD2 4.21Å; L389-E519 WeakPolarHBondContact CA-O 3.4Å; L389-I590 HydrophobicContact CD1-CG2 3.88Å; L389-I590 HydrophobicContact CD2-CG2 3.99Å; L389-I590 HydrophobicContact CG-CG2 3.98Å; L389-N591 PolarHBondContact N-O 3.43Å; L389-P593 WeakPolarHBondContact O-CD 3.46Å
390	S	94.3	Very high	94.9	Very high	22 Å²	22	39.7 Å²	39.7	15%	0.154	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.3	158.6	-79	0	0	0	0	108.9	E519 R598	S390-E519 PolarHBondContact N-O 2.98Å; S390-E519 PolarHBondContact O-N 3.32Å; S390-R598 PolarHBondContact OG-NH2 3.2Å
391	I	95.1	Very high	94.8	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130	179.1	-56.1	-178.6	0	0	0	109.6	Y516 Y518 R598	I391-Y516 HydrophobicContact CG2-CD1 3.82Å; I391-Y516 HydrophobicContact CG2-CE1 4.46Å; I391-Y518 HydrophobicContact CD1-CE1 4.17Å; I391-Y518 HydrophobicContact CG1-CD1 3.97Å; I391-Y518 HydrophobicContact CG1-CE1 3.98Å; I391-Y518 HydrophobicContact CG2-CD1 4.49Å; I391-Y518 HydrophobicContact CG2-CE1 4.1Å; I391-R598 PolarHBondContact O-N 2.84Å
392	I	95	Very high	94.6	Very high	11 Å²	11	35 Å²	35	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.9	179.6	-52.3	-168.5	0	0	0	109.5	Y516 S517 E519 R598 V600	I392-Y516 CarbonylContact O-C 3.2Å; I392-Y516 VanDerWaalsContact O-CA 3.25Å; I392-Y516 WeakPolarHBondContact O-CA 3.47Å; I392-S517 PolarHBondContact N-O 2.97Å; I392-S517 PolarHBondContact O-N 2.71Å; I392-E519 VanDerWaalsContact CD1-CD 3.4Å; I392-E519 HydrophobicContact CD1-CG 3.9Å; I392-E519 WeakPolarHBondContact CD1-OE1 3.16Å; I392-R598 CarbonylContact C-O 3.59Å; I392-R598 VanDerWaalsContact CA-O 3.24Å; I392-R598 WeakPolarHBondContact CA-O 3.4Å; I392-R598 HydrophobicContact CG1-CB 4.18Å; I392-R598 WeakPolarHBondContact CG2-O 3.14Å; I392-V600 HydrophobicContact CG2-CB 4.31Å; I392-V600 HydrophobicContact CG2-CG2 3.78Å
393	E	95.3	Very high	94.4	Very high	24 Å²	24	42.1 Å²	42.1	11%	0.112	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.9	166.3	-175.6	-164.8	-174.3	0	0	108.2	I395 Y516 V597 R598 K599 V600	E393-I395 HydrophobicContact CG-CG1 4.37Å; E393-Y516 HydrophobicContact CB-CD1 4.18Å; E393-Y516 HydrophobicContact CB-CE1 3.87Å; E393-Y516 HydrophobicContact CG-CE1 4.12Å; E393-V597 HydrophobicContact CB-CG1 3.75Å; E393-R598 PolarHBondContact N-O 3.35Å; E393-K599 WeakPolarHBondContact O-CA 3.38Å; E393-K599 IonicContact OE1-NZ 2.82Å; E393-K599 PolarHBondContact OE1-NZ 2.94Å; E393-K599 WeakPolarHBondContact OE2-CD 3.5Å; E393-K599 WeakPolarHBondContact OE2-CE 3.33Å; E393-K599 WeakPolarHBondContact OE2-CG 3.42Å; E393-K599 IonicContact OE2-NZ 2.75Å; E393-K599 PolarHBondContact OE2-NZ 3.44Å; E393-V600 PolarHBondContact O-N 2.87Å
394	N	94.6	Very high	94.2	Very high	26 Å²	26	41.9 Å²	41.9	14%	0.139	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.9	176.5	-50.9	-94.3	0	0	0	108	S514 F515 S517 V600	N394-S514 VanDerWaalsContact O-CA 3.3Å; N394-S514 WeakPolarHBondContact O-CA 3.28Å; N394-F515 HydrophobicContact CB-CD1 4.33Å; N394-F515 HydrophobicContact CB-CD2 4.15Å; N394-F515 HydrophobicContact CB-CE1 3.98Å; N394-F515 HydrophobicContact CB-CE2 3.77Å; N394-F515 HydrophobicContact CB-CG 4.42Å; N394-F515 HydrophobicContact CB-CZ 3.68Å; N394-F515 PolarHBondContact N-O 2.78Å; N394-F515 WeakPolarHBondContact ND2-CE2 3.39Å; N394-F515 PolarHBondContact ND2-O 3.18Å; N394-F515 PolarHBondContact O-N 3.43Å; N394-S517 PolarHBondContact ND2-N 2.8Å; N394-S517 PolarHBondContact ND2-OG 3.1Å; N394-V600 WeakPolarHBondContact CA-O 3.45Å
395	I	95	Very high	94	Very high	41 Å²	41	40.8 Å²	40.8	21%	0.21	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.7	169.5	-59.7	-172.8	0	0	0	108.3	E393 C513 V600 E601 E602	E393-I395 HydrophobicContact CG-CG1 4.37Å; I395-C513 WeakPolarHBondContact CA-O 3.36Å; I395-V600 PolarHBondContact N-O 3.08Å; I395-E601 HydrophobicContact CB-CB 4.48Å; I395-E601 HydrophobicContact CB-CG 4.17Å; I395-E601 HydrophobicContact CG2-CG 4.36Å; I395-E602 PolarHBondContact O-N 3.19Å
396	Q	93.9	Very high	93.6	Very high	42 Å²	42	45.6 Å²	45.6	20%	0.196	23%	0.228	C	C	.	.			trans	-114.9	158.6	-177.8	-68	-162.4	-6.8	0	0	112.7	C404 M511 C513 E602	Q396-C404 HydrophobicContact CB-CB 3.99Å; Q396-C404 PolarHBondContact O-SG 2.86Å; Q396-C404 VanDerWaalsContact O-SG 3.37Å; Q396-M511 PolarHBondContact NE2-SD 3.33Å; Q396-M511 VanDerWaalsContact NE2-SD 3.43Å; Q396-M511 PolarHBondContact OE1-SD 2.85Å; Q396-C513 PolarHBondContact N-O 3.33Å; Q396-E602 VanDerWaalsContact CA-OE2 3.28Å; Q396-E602 WeakPolarHBondContact CA-OE2 3.27Å; Q396-E602 WeakPolarHBondContact CB-OE2 3.38Å; Q396-E602 WeakPolarHBondContact CG-OE1 3.43Å
397	Q	93.8	Very high	93.2	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.238	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-88.1	151.3	174.6	-66	-61.4	-28.2	0	0	112.4	V180 G402 R403 C404 E602	V180-Q397 HydrophobicContact CG1-CG 4.19Å; Q397-G402 CarbonylContact O-C 3.54Å; Q397-G402 WeakPolarHBondContact O-CA 3.29Å; Q397-R403 PolarHBondContact O-N 2.93Å; Q397-C404 PolarHBondContact O-N 3.24Å; Q397-C404 PolarHBondContact O-SG 2.8Å; Q397-E602 HydrophobicContact CG-CB 3.84Å; Q397-E602 PolarHBondContact N-OE2 3.07Å; Q397-E602 PolarHBondContact NE2-O 3.19Å
398	M	93.7	Very high	92.8	Very high	85 Å²	85	53.8 Å²	53.8	42%	0.419	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-79.1	160.5	172	-69.4	179.1	-75.6	0	0	110.7	Y401 G402 I406 C513	M398-Y401 PolarHBondContact O-N 3.36Å; M398-G402 CarbonylContact C-O 3.51Å; M398-G402 PolarHBondContact O-N 3.41Å; M398-G402 VanDerWaalsContact O-N 3.13Å; M398-I406 HydrophobicContact CE-CD1 3.88Å; M398-I406 HydrophobicContact SD-CD1 3.75Å; M398-I406 HydrophobicContact SD-CG1 3.91Å; M398-C513 VanDerWaalsContact CG-SG 3.6Å
399	P	91.1	Very high	92.6	Very high	76 Å²	76	52.1 Å²	52.1	49%	0.494	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	138.6	170.5	-27.1	33.5	0	0	0	111.9	G402 C404	P399-G402 VanDerWaalsContact CA-O 3.25Å; P399-G402 WeakPolarHBondContact CA-O 3.4Å; P399-G402 VanDerWaalsContact CD-O 3.3Å; P399-G402 WeakPolarHBondContact CD-O 3.46Å; P399-G402 VanDerWaalsContact CG-O 3.32Å; P399-G402 WeakPolarHBondContact CG-O 3.33Å; P399-G402 VanDerWaalsContact N-O 3.09Å; P399-C404 WeakPolarHBondContact CD-O 3.43Å
400	P	91.8	Very high	92.2	Very high	78 Å²	78	58.5 Å²	58.5	51%	0.506	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	cis	-84.6	-10.7	9.8	34.3	-37.5	0	0	0	115.7	Y178	Y178-P400 HydrophobicContact CD1-CB 4.01Å; Y178-P400 HydrophobicContact CD1-CG 3.52Å; Y178-P400 HydrophobicContact CD2-CB 3.97Å; Y178-P400 HydrophobicContact CD2-CG 4.37Å; Y178-P400 HydrophobicContact CE1-CB 4.18Å; Y178-P400 HydrophobicContact CE1-CG 3.56Å; Y178-P400 HydrophobicContact CE2-CB 4.14Å; Y178-P400 HydrophobicContact CE2-CG 4.4Å; Y178-P400 HydrophobicContact CG-CB 3.9Å; Y178-P400 HydrophobicContact CG-CG 3.96Å
401	Y	91.2	Very high	92.2	Very high	46 Å²	46	61.5 Å²	61.5	18%	0.18	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24	-172.7	-66.2	-80.3	0	0	0	114.4	Y178 V180 M398 I604	Y178-Y401 HydrophobicContact CD1-CD1 4.15Å; Y178-Y401 AromaticContact CD1-CE1 3.73Å; Y178-Y401 HydrophobicContact CD1-CE1 3.73Å; Y178-Y401 HydrophobicContact CD1-CE2 4.31Å; Y178-Y401 AromaticContact CD1-CZ 3.83Å; Y178-Y401 HydrophobicContact CG-CE1 4.43Å; Y178-Y401 WeakPolarHBondContact O-CD1 3.15Å; V180-Y401 HydrophobicContact CG1-CD1 4.37Å; M398-Y401 PolarHBondContact O-N 3.36Å; Y401-I604 HydrophobicContact CD1-CB 4.36Å; Y401-I604 HydrophobicContact CD1-CD1 4.27Å; Y401-I604 HydrophobicContact CD1-CG1 3.75Å; Y401-I604 HydrophobicContact CD1-CG2 3.97Å; Y401-I604 HydrophobicContact CD2-CD1 3.83Å; Y401-I604 HydrophobicContact CD2-CG1 4.13Å; Y401-I604 HydrophobicContact CE1-CB 4.22Å; Y401-I604 HydrophobicContact CE1-CD1 4.17Å; Y401-I604 HydrophobicContact CE1-CG1 3.92Å; Y401-I604 HydrophobicContact CE1-CG2 3.39Å; Y401-I604 HydrophobicContact CE2-CD1 3.71Å; Y401-I604 HydrophobicContact CE2-CG1 4.28Å; Y401-I604 HydrophobicContact CG-CD1 4.11Å; Y401-I604 HydrophobicContact CG-CG1 3.87Å
402	G	89.5	Confident	92.1	Very high	18 Å²	18	62.7 Å²	62.7	19%	0.186	33%	0.328	C	S	.	.			trans	-154.7	-164.5	178.3	0	0	0	0	0	111.9	Q397 M398 P399	Q397-G402 CarbonylContact O-C 3.54Å; Q397-G402 WeakPolarHBondContact O-CA 3.29Å; M398-G402 CarbonylContact C-O 3.51Å; M398-G402 PolarHBondContact O-N 3.41Å; M398-G402 VanDerWaalsContact O-N 3.13Å; P399-G402 VanDerWaalsContact CA-O 3.25Å; P399-G402 WeakPolarHBondContact CA-O 3.4Å; P399-G402 VanDerWaalsContact CD-O 3.3Å; P399-G402 WeakPolarHBondContact CD-O 3.46Å; P399-G402 VanDerWaalsContact CG-O 3.32Å; P399-G402 WeakPolarHBondContact CG-O 3.33Å; P399-G402 VanDerWaalsContact N-O 3.09Å
403	R	89.2	Confident	91.9	Very high	164 Å²	164	67.3 Å²	67.3	62%	0.619	36%	0.358	S	S	*	.	S	Bend	trans	-115.2	-6.7	-169.6	-57.1	-175.8	-168.4	-177.6	5	114.6	Q397 E505	Q397-R403 PolarHBondContact O-N 2.93Å; R403-E505 WeakPolarHBondContact CD-OE1 3.43Å; R403-E505 IonicContact CZ-OE1 3.35Å; R403-E505 IonicContact NE-OE1 2.66Å; R403-E505 PolarHBondContact NE-OE1 3.1Å; R403-E505 IonicContact NH1-OE1 3.3Å; R403-E505 PolarHBondContact NH1-OE1 2.8Å; R403-E505 IonicContact NH2-OE1 3Å
404	C	92.9	Very high	91.6	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.007	36%	0.355	C	S	.	.			trans	-71	167.7	-175	81.2	0	0	0	0	112.6	Q396 Q397 P399 M511 C513	Q396-C404 HydrophobicContact CB-CB 3.99Å; Q396-C404 PolarHBondContact O-SG 2.86Å; Q396-C404 VanDerWaalsContact O-SG 3.37Å; Q397-C404 PolarHBondContact O-N 3.24Å; Q397-C404 PolarHBondContact O-SG 2.8Å; P399-C404 WeakPolarHBondContact CD-O 3.43Å; C404-M511 CarbonylContact C-O 3.51Å; C404-M511 VanDerWaalsContact CA-O 3.28Å; C404-M511 WeakPolarHBondContact CA-O 3.33Å; C404-M511 HydrophobicContact CB-CG 4.34Å; C404-M511 WeakPolarHBondContact CB-O 3.31Å; C404-C513 HydrophobicContact CB-CB 3.83Å; C404-C513 WeakPolarHBondContact CB-SG 3.38Å; C404-C513 WeakPolarHBondContact SG-CA 3.25Å; C404-C513 WeakPolarHBondContact SG-CB 3.46Å; C404-C513 CovalentContact SG-SG 2.04Å; C404-C513 PolarHBondContact SG-SG 2.82Å
405	S	92	Very high	91.1	Very high	23 Å²	23	67.3 Å²	67.3	16%	0.161	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-142	154	165.6	-159.5	0	0	0	0	112.1	N407 H408 M511 C513	S405-N407 PolarHBondContact OG-N 3.4Å; S405-H408 PolarHBondContact O-CD2 3.43Å; S405-M511 PolarHBondContact N-O 2.8Å; S405-C513 PolarHBondContact N-SG 3.16Å
406	I	90.6	Very high	90.5	Very high	102 Å²	102	70.5 Å²	70.5	52%	0.523	37%	0.373	S	S	.	.	S	Bend	trans	-86	-21.8	166.5	-58.1	170.8	0	0	0	110.1	M398 H408	M398-I406 HydrophobicContact CE-CD1 3.88Å; M398-I406 HydrophobicContact SD-CD1 3.75Å; M398-I406 HydrophobicContact SD-CG1 3.91Å; I406-H408 PolarHBondContact O-N 2.7Å; I406-H408 VanDerWaalsContact O-N 3.09Å
407	N	89.1	Confident	90.1	Very high	149 Å²	149	70.9 Å²	70.9	80%	0.797	38%	0.375	S	S	*	.			trans	-88.7	47.6	-176.6	-66.7	-22.3	0	0	0	112.4	S405	S405-N407 PolarHBondContact OG-N 3.4Å
408	H	88.5	Confident	90	Very high	54 Å²	54	73.6 Å²	73.6	25%	0.25	39%	0.39	C	S	.	.	S	Bend	trans	-99.3	155.6	170.5	68.2	91	0	0	0	110.5	S405 I406 Y421	S405-H408 PolarHBondContact O-CD2 3.43Å; I406-H408 PolarHBondContact O-N 2.7Å; I406-H408 VanDerWaalsContact O-N 3.09Å; H408-Y421 HydrophobicContact CB-CD1 3.98Å; H408-Y421 HydrophobicContact CB-CE1 3.66Å; H408-Y421 AromaticContact CG-CD1 3.89Å; H408-Y421 AromaticContact CG-CE1 3.98Å; H408-Y421 AromaticContact ND1-CD1 3.43Å; H408-Y421 WeakPolarHBondContact ND1-CD1 3.3Å; H408-Y421 AromaticContact ND1-CG 3.99Å
409	P	91.4	Very high	90	Very high	75 Å²	75	69.6 Å²	69.6	49%	0.487	37%	0.37	S	S	.	.			trans	-66.1	145.1	167.2	29.8	-33.9	0	0	0	109.5	Y421	P409-Y421 HydrophobicContact CG-CD2 3.64Å; P409-Y421 HydrophobicContact CG-CE2 3.89Å; P409-Y421 HydrophobicContact CG-CG 4.33Å; P409-Y421 WeakPolarHBondContact O-CB 3.47Å; P409-Y421 VanDerWaalsContact O-CG 3.27Å
410	L	89.3	Confident	90.1	Very high	136 Å²	136	68.8 Å²	68.8	71%	0.712	36%	0.362	S	S	*	.	S	Bend	trans	-67.7	-40.3	177.7	-65.6	173.5	0	0	0	111.7	Y421	L410-Y421 VanDerWaalsContact O-CB 3.27Å; L410-Y421 WeakPolarHBondContact O-CB 3.15Å; L410-Y421 PolarHBondContact O-N 3.16Å
411	N	93.2	Very high	90.2	Very high	84 Å²	84	65.9 Å²	65.9	45%	0.449	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	157.8	-172.5	-60.8	-9	0	0	0	111.2	I418 Y419	N411-I418 HydrophobicContact CB-CG2 3.72Å; N411-Y419 CarbonylContact C-O 3.51Å; N411-Y419 VanDerWaalsContact CA-O 3.22Å; N411-Y419 WeakPolarHBondContact CA-O 3.36Å
412	I	92.5	Very high	90.3	Very high	30 Å²	30	64.8 Å²	64.8	15%	0.154	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.5	174.3	-169.9	171.8	0	0	0	110.4	L414 Y419 A425 A429	I412-L414 HydrophobicContact CD1-CD2 4.18Å; I412-L414 HydrophobicContact CG1-CD2 4.12Å; I412-L414 HydrophobicContact CG1-CG 4.21Å; I412-L414 HydrophobicContact CG2-CD1 4.04Å; I412-L414 HydrophobicContact CG2-CG 4.3Å; I412-Y419 PolarHBondContact N-O 2.82Å; I412-Y419 PolarHBondContact O-N 2.81Å; I412-A425 HydrophobicContact CD1-CB 4.5Å; I412-A425 HydrophobicContact CG2-CB 3.98Å; I412-A429 HydrophobicContact CD1-CB 3.88Å
413	T	91.4	Very high	90.4	Very high	109 Å²	109	67.4 Å²	67.4	67%	0.669	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	115.2	-178.4	43.4	0	0	0	0	111.7	M417 I418	T413-M417 CarbonylContact C-O 3.33Å; T413-M417 WeakPolarHBondContact CA-O 3.36Å; T413-I418 HydrophobicContact CG2-CG1 4.14Å
414	L	89.4	Confident	90.6	Very high	11 Å²	11	62.7 Å²	62.7	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	140.3	-175.5	-54.2	173.9	0	0	0	109.2	L369 I412 D416 M417 Y419 A425 A429 P447	L369-L414 HydrophobicContact CB-CD1 4.33Å; L369-L414 HydrophobicContact CD1-CD1 4.15Å; L369-L414 HydrophobicContact CD2-CD1 3.99Å; L369-L414 HydrophobicContact CG-CD1 4.39Å; I412-L414 HydrophobicContact CD1-CD2 4.18Å; I412-L414 HydrophobicContact CG1-CD2 4.12Å; I412-L414 HydrophobicContact CG1-CG 4.21Å; I412-L414 HydrophobicContact CG2-CD1 4.04Å; I412-L414 HydrophobicContact CG2-CG 4.3Å; L414-D416 PolarHBondContact O-N 2.83Å; L414-M417 PolarHBondContact N-O 2.9Å; L414-M417 WeakPolarHBondContact O-CA 3.23Å; L414-M417 PolarHBondContact O-N 3.02Å; L414-Y419 HydrophobicContact CB-CD2 3.91Å; L414-Y419 HydrophobicContact CB-CE2 4.05Å; L414-Y419 HydrophobicContact CD1-CD2 4.41Å; L414-Y419 HydrophobicContact CG-CD2 4.45Å; L414-Y419 WeakPolarHBondContact O-CE2 3.12Å; L414-A425 HydrophobicContact CD1-CB 4.09Å; L414-A429 HydrophobicContact CD2-CB 3.73Å; L414-P447 HydrophobicContact CB-CB 3.97Å; L414-P447 HydrophobicContact CD1-CB 4.4Å; L414-P447 HydrophobicContact CD1-CG 4.3Å; L414-P447 HydrophobicContact CD2-CB 4.05Å; L414-P447 HydrophobicContact CG-CB 4.36Å
415	Y	83.4	Confident	90.7	Very high	39 Å²	39	62.7 Å²	62.7	15%	0.153	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	36.9	-175.7	-50.6	-66.2	0	0	0	114.3	F305 L369 M417 Y419 P447 Y448	F305-Y415 HydrophobicContact CB-CD2 4.07Å; F305-Y415 HydrophobicContact CB-CE2 4.06Å; F305-Y415 HydrophobicContact CB-CG 4.41Å; F305-Y415 HydrophobicContact CD2-CE2 4.13Å; F305-Y415 HydrophobicContact CG-CE2 4.22Å; L369-Y415 HydrophobicContact CD1-CE2 3.94Å; Y415-M417 PolarHBondContact O-N 2.97Å; Y415-M417 VanDerWaalsContact O-N 3.13Å; Y415-Y419 HydrophobicContact CD2-CE2 4.37Å; Y415-P447 HydrophobicContact CD1-CB 4.43Å; Y415-P447 HydrophobicContact CD2-CB 4.29Å; Y415-P447 HydrophobicContact CE1-CB 4Å; Y415-P447 HydrophobicContact CE2-CB 3.83Å; Y415-P447 HydrophobicContact CE2-CG 4.14Å; Y415-Y448 HydrophobicContact CE1-CD1 4.2Å; Y415-Y448 HydrophobicContact CE1-CE1 4.24Å
416	D	81.7	Confident	90.8	Very high	108 Å²	108	62.3 Å²	62.3	58%	0.578	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	15.4	-172.2	-59.4	-66.4	0	0	0	115.2	L414 N449 N451	L414-D416 PolarHBondContact O-N 2.83Å; D416-N449 PolarHBondContact OD1-ND2 3.09Å; D416-N449 PolarHBondContact OD2-OD1 2.66Å; D416-N451 PolarHBondContact OD2-ND2 2.9Å
417	M	86.1	Confident	90.9	Very high	50 Å²	50	61.8 Å²	61.8	25%	0.246	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.2	177.2	-66.9	-179.9	-75.7	0	0	111.7	R303 T413 L414 Y415 Y419	R303-M417 HydrophobicContact CB-SD 4.29Å; R303-M417 HydrophobicContact CG-SD 4.22Å; T413-M417 CarbonylContact C-O 3.33Å; T413-M417 WeakPolarHBondContact CA-O 3.36Å; L414-M417 PolarHBondContact N-O 2.9Å; L414-M417 WeakPolarHBondContact O-CA 3.23Å; L414-M417 PolarHBondContact O-N 3.02Å; Y415-M417 PolarHBondContact O-N 2.97Å; Y415-M417 VanDerWaalsContact O-N 3.13Å; M417-Y419 HydrophobicContact CB-CD2 4.37Å; M417-Y419 HydrophobicContact CB-CE2 3.88Å; M417-Y419 HydrophobicContact CE-CE2 4.32Å; M417-Y419 WeakPolarHBondContact CE-OH 3.32Å
418	I	91.9	Very high	91.1	Very high	107 Å²	107	55.2 Å²	55.2	55%	0.549	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.2	176.5	-57.4	173.5	0	0	0	108.9	R303 N411 T413	R303-I418 PolarHBondContact NH1-O 2.93Å; N411-I418 HydrophobicContact CB-CG2 3.72Å; T413-I418 HydrophobicContact CG2-CG1 4.14Å
419	Y	92.9	Very high	91.3	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152	173.2	-70.5	-93.2	0	0	0	110.6	D367 N411 I412 L414 Y415 M417	D367-Y419 CarbonylContact O-C 2.87Å; D367-Y419 VanDerWaalsContact O-CA 3.31Å; D367-Y419 WeakPolarHBondContact O-CA 3.48Å; D367-Y419 WeakPolarHBondContact O-CB 3.29Å; D367-Y419 WeakPolarHBondContact O-CD1 3.47Å; N411-Y419 CarbonylContact C-O 3.51Å; N411-Y419 VanDerWaalsContact CA-O 3.22Å; N411-Y419 WeakPolarHBondContact CA-O 3.36Å; I412-Y419 PolarHBondContact N-O 2.82Å; I412-Y419 PolarHBondContact O-N 2.81Å; L414-Y419 HydrophobicContact CB-CD2 3.91Å; L414-Y419 HydrophobicContact CB-CE2 4.05Å; L414-Y419 HydrophobicContact CD1-CD2 4.41Å; L414-Y419 HydrophobicContact CG-CD2 4.45Å; L414-Y419 WeakPolarHBondContact O-CE2 3.12Å; Y415-Y419 HydrophobicContact CD2-CE2 4.37Å; M417-Y419 HydrophobicContact CB-CD2 4.37Å; M417-Y419 HydrophobicContact CB-CE2 3.88Å; M417-Y419 HydrophobicContact CE-CE2 4.32Å; M417-Y419 WeakPolarHBondContact CE-OH 3.32Å
420	N	93.5	Very high	91.5	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.1	164.9	-74.3	-14.3	0	0	0	109.1	A366 D367 T368	A366-N420 PolarHBondContact O-ND2 3.16Å; D367-N420 HydrophobicContact CB-CB 4.34Å; D367-N420 WeakPolarHBondContact CB-ND2 3.46Å; D367-N420 PolarHBondContact O-N 3.32Å; D367-N420 PolarHBondContact OD2-ND2 3.5Å; D367-N420 VanDerWaalsContact OD2-ND2 3.1Å; T368-N420 HydrophobicContact CG2-CB 4.05Å
421	Y	94.6	Very high	91.6	Very high	17 Å²	17	45.6 Å²	45.6	7%	0.067	24%	0.235	C	C	.	.			trans	-63.8	139.2	-178.8	174.2	-92.8	0	0	0	112.3	H408 P409 L410 C426 K510	H408-Y421 HydrophobicContact CB-CD1 3.98Å; H408-Y421 HydrophobicContact CB-CE1 3.66Å; H408-Y421 AromaticContact CG-CD1 3.89Å; H408-Y421 AromaticContact CG-CE1 3.98Å; H408-Y421 AromaticContact ND1-CD1 3.43Å; H408-Y421 WeakPolarHBondContact ND1-CD1 3.3Å; H408-Y421 AromaticContact ND1-CG 3.99Å; P409-Y421 HydrophobicContact CG-CD2 3.64Å; P409-Y421 HydrophobicContact CG-CE2 3.89Å; P409-Y421 HydrophobicContact CG-CG 4.33Å; P409-Y421 WeakPolarHBondContact O-CB 3.47Å; P409-Y421 VanDerWaalsContact O-CG 3.27Å; L410-Y421 VanDerWaalsContact O-CB 3.27Å; L410-Y421 WeakPolarHBondContact O-CB 3.15Å; L410-Y421 PolarHBondContact O-N 3.16Å; Y421-C426 HydrophobicContact CE2-CB 3.64Å; Y421-K510 VanDerWaalsContact CE1-O 3.25Å; Y421-K510 WeakPolarHBondContact CE1-O 3.42Å; Y421-K510 PolarHBondContact OH-N 3.35Å; Y421-K510 PolarHBondContact OH-O 3.21Å
422	S	93.4	Very high	91.7	Very high	23 Å²	23	41.7 Å²	41.7	16%	0.161	21%	0.214	C	C	.	.			trans	-143.7	156	164.1	73.1	0	0	0	0	109.6	Y424 A425 C426	S422-Y424 VanDerWaalsContact C-N 3.26Å; S422-Y424 PolarHBondContact O-N 3.15Å; S422-A425 PolarHBondContact O-N 2.84Å; S422-A425 WeakPolarHBondContact OG-CB 3.41Å; S422-A425 PolarHBondContact OG-N 2.87Å; S422-A425 VanDerWaalsContact OG-N 3.16Å; S422-C426 PolarHBondContact O-N 2.91Å
423	E	91.9	Very high	91.7	Very high	73 Å²	73	42.9 Å²	42.9	34%	0.341	22%	0.221	S	C	.	.	H	α-helix	trans	-55.9	-43.5	175.7	-171.9	-162.3	158.2	0	0	111.4	A425 C426 R427 M511	E423-A425 PolarHBondContact O-N 2.94Å; E423-C426 WeakPolarHBondContact O-CB 3.14Å; E423-C426 PolarHBondContact O-N 2.86Å; E423-R427 WeakPolarHBondContact O-CB 3.35Å; E423-R427 PolarHBondContact O-N 2.71Å; E423-M511 HydrophobicContact CB-CB 4.12Å; E423-M511 WeakPolarHBondContact OE2-CE 3.28Å
424	Y	92.8	Very high	91.9	Very high	66 Å²	66	39 Å²	39	26%	0.259	20%	0.196	S	C	.	.	H	α-helix	trans	-56.8	-49.9	175.3	173.8	-106.8	0	0	0	111.9	L369 N371 S422 C426 R427 V428	L369-Y424 HydrophobicContact CD2-CD1 4.03Å; L369-Y424 HydrophobicContact CD2-CE1 3.68Å; L369-Y424 HydrophobicContact CG-CE1 4.17Å; N371-Y424 HydrophobicContact CB-CD1 4Å; N371-Y424 HydrophobicContact CB-CD2 4.3Å; N371-Y424 HydrophobicContact CB-CE1 3.62Å; N371-Y424 HydrophobicContact CB-CE2 3.94Å; N371-Y424 HydrophobicContact CB-CG 4.33Å; N371-Y424 VanDerWaalsContact CG-CE2 3.49Å; N371-Y424 VanDerWaalsContact CG-CZ 3.5Å; N371-Y424 WeakPolarHBondContact ND2-CE2 3.28Å; S422-Y424 VanDerWaalsContact C-N 3.26Å; S422-Y424 PolarHBondContact O-N 3.15Å; Y424-C426 VanDerWaalsContact C-N 3.3Å; Y424-C426 PolarHBondContact O-N 2.77Å; Y424-R427 PolarHBondContact O-N 2.87Å; Y424-V428 HydrophobicContact CD2-CG1 4.29Å; Y424-V428 HydrophobicContact CE2-CG1 3.81Å; Y424-V428 WeakPolarHBondContact O-CG2 3.44Å; Y424-V428 PolarHBondContact O-N 2.69Å
425	A	94.3	Very high	92.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.5	-40.1	178.2	0	0	0	0	0	111.9	L369 I412 L414 S422 E423 V428 A429	L369-A425 HydrophobicContact CB-CB 3.99Å; L369-A425 HydrophobicContact CD2-CB 4.21Å; I412-A425 HydrophobicContact CD1-CB 4.5Å; I412-A425 HydrophobicContact CG2-CB 3.98Å; L414-A425 HydrophobicContact CD1-CB 4.09Å; S422-A425 PolarHBondContact O-N 2.84Å; S422-A425 WeakPolarHBondContact OG-CB 3.41Å; S422-A425 PolarHBondContact OG-N 2.87Å; S422-A425 VanDerWaalsContact OG-N 3.16Å; E423-A425 PolarHBondContact O-N 2.94Å; A425-V428 WeakPolarHBondContact O-CG2 3.35Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 2.91Å; A425-A429 VanDerWaalsContact O-N 3.11Å
426	C	94.6	Very high	92.7	Very high	15 Å²	15	37.1 Å²	37.1	10%	0.101	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-44.9	174.5	-173.6	0	0	0	0	112.4	Y421 S422 E423 Y424 A429 T430 C509	Y421-C426 HydrophobicContact CE2-CB 3.64Å; S422-C426 PolarHBondContact O-N 2.91Å; E423-C426 WeakPolarHBondContact O-CB 3.14Å; E423-C426 PolarHBondContact O-N 2.86Å; Y424-C426 VanDerWaalsContact C-N 3.3Å; Y424-C426 PolarHBondContact O-N 2.77Å; C426-A429 PolarHBondContact O-N 3.31Å; C426-T430 VanDerWaalsContact O-CB 3.31Å; C426-T430 WeakPolarHBondContact O-CB 3.26Å; C426-T430 PolarHBondContact O-N 3.12Å; C426-T430 PolarHBondContact O-OG1 2.87Å; C426-C509 HydrophobicContact CB-CB 3.65Å; C426-C509 WeakPolarHBondContact CB-SG 3.37Å; C426-C509 PolarHBondContact O-SG 2.84Å; C426-C509 WeakPolarHBondContact SG-CA 3.39Å; C426-C509 WeakPolarHBondContact SG-CB 3.46Å; C426-C509 CovalentContact SG-SG 2.04Å; C426-C509 PolarHBondContact SG-SG 2.87Å
427	R	93	Very high	93.3	Very high	92 Å²	92	38.1 Å²	38.1	35%	0.347	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-51.7	180	179.6	165	-175.2	-173.6	0.3	111.4	E423 Y424 A429 T430 I431 Y501 L506	E423-R427 WeakPolarHBondContact O-CB 3.35Å; E423-R427 PolarHBondContact O-N 2.71Å; Y424-R427 PolarHBondContact O-N 2.87Å; R427-A429 VanDerWaalsContact C-N 3.35Å; R427-A429 PolarHBondContact O-N 3.34Å; R427-T430 PolarHBondContact O-N 3.37Å; R427-I431 HydrophobicContact CG-CD1 3.96Å; R427-I431 VanDerWaalsContact O-CG1 3.31Å; R427-I431 WeakPolarHBondContact O-CG1 3.49Å; R427-I431 PolarHBondContact O-N 2.88Å; R427-Y501 PolarHBondContact NH2-O 2.94Å; R427-L506 HydrophobicContact CB-CD1 3.95Å; R427-L506 HydrophobicContact CG-CD1 3.73Å
428	V	93.1	Very high	93.7	Very high	10 Å²	10	41.7 Å²	41.7	6%	0.061	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-35.9	180	-59.7	0	0	0	0	112.5	L369 Y424 A425 Q432 Y446 P447	L369-V428 HydrophobicContact CD2-CG2 3.65Å; Y424-V428 HydrophobicContact CD2-CG1 4.29Å; Y424-V428 HydrophobicContact CE2-CG1 3.81Å; Y424-V428 WeakPolarHBondContact O-CG2 3.44Å; Y424-V428 PolarHBondContact O-N 2.69Å; A425-V428 WeakPolarHBondContact O-CG2 3.35Å; V428-Q432 WeakPolarHBondContact O-CB 3.42Å; V428-Q432 PolarHBondContact O-N 2.63Å; V428-Y446 HydrophobicContact CB-CD1 3.86Å; V428-Y446 HydrophobicContact CB-CG 4.49Å; V428-Y446 HydrophobicContact CG1-CD1 3.93Å; V428-Y446 HydrophobicContact CG1-CE1 4.4Å; V428-P447 VanDerWaalsContact CG2-CD 3.41Å; V428-P447 HydrophobicContact CG2-CG 3.73Å
429	A	93.7	Very high	93.9	Very high	23 Å²	23	37.7 Å²	37.7	19%	0.19	19%	0.187	C	C	.	.	H	α-helix	trans	-67.9	-37.2	175.1	0	0	0	0	0	112.6	I412 L414 A425 C426 R427 N433	I412-A429 HydrophobicContact CD1-CB 3.88Å; L414-A429 HydrophobicContact CD2-CB 3.73Å; A425-A429 WeakPolarHBondContact O-CB 3.49Å; A425-A429 PolarHBondContact O-N 2.91Å; A425-A429 VanDerWaalsContact O-N 3.11Å; C426-A429 PolarHBondContact O-N 3.31Å; R427-A429 VanDerWaalsContact C-N 3.35Å; R427-A429 PolarHBondContact O-N 3.34Å; A429-N433 VanDerWaalsContact O-CB 3.32Å; A429-N433 WeakPolarHBondContact O-CB 3.43Å; A429-N433 PolarHBondContact O-N 2.8Å
430	T	93.8	Very high	94	Very high	31 Å²	31	39.8 Å²	39.8	19%	0.19	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-47.6	176.5	-60.7	0	0	0	0	110.8	C426 R427 Q432 N433 N434 L506 C509	C426-T430 VanDerWaalsContact O-CB 3.31Å; C426-T430 WeakPolarHBondContact O-CB 3.26Å; C426-T430 PolarHBondContact O-N 3.12Å; C426-T430 PolarHBondContact O-OG1 2.87Å; R427-T430 PolarHBondContact O-N 3.37Å; T430-Q432 PolarHBondContact O-N 2.95Å; T430-N433 PolarHBondContact O-N 3.19Å; T430-N434 PolarHBondContact O-N 2.91Å; T430-N434 PolarHBondContact O-OD1 3Å; T430-L506 HydrophobicContact CG2-CD1 4.38Å; T430-L506 HydrophobicContact CG2-CD2 4.27Å; T430-C509 PolarHBondContact OG1-SG 2.98Å
431	I	93.3	Very high	94.1	Very high	9 Å²	9	37 Å²	37	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-48.7	176.2	-62.5	162.4	0	0	0	109.8	R427 N433 N434 I435 Y446 I498 Y501	R427-I431 HydrophobicContact CG-CD1 3.96Å; R427-I431 VanDerWaalsContact O-CG1 3.31Å; R427-I431 WeakPolarHBondContact O-CG1 3.49Å; R427-I431 PolarHBondContact O-N 2.88Å; I431-N433 PolarHBondContact O-N 3.35Å; I431-N434 PolarHBondContact O-N 3.22Å; I431-N434 VanDerWaalsContact O-N 3.15Å; I431-I435 HydrophobicContact CG2-CD1 3.84Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 WeakPolarHBondContact O-CG1 3.35Å; I431-I435 PolarHBondContact O-N 2.95Å; I431-Y446 HydrophobicContact CB-CD2 4.48Å; I431-Y446 HydrophobicContact CB-CE2 4.29Å; I431-Y446 HydrophobicContact CD1-CE1 4.36Å; I431-Y446 HydrophobicContact CG2-CD2 3.89Å; I431-Y446 HydrophobicContact CG2-CE1 4.45Å; I431-Y446 HydrophobicContact CG2-CE2 3.37Å; I431-I498 HydrophobicContact CG2-CG1 4.17Å; I431-Y501 HydrophobicContact CG1-CD2 3.81Å; I431-Y501 HydrophobicContact CG1-CG 3.9Å; I431-Y501 HydrophobicContact CG2-CD2 4.47Å
432	Q	94.3	Very high	94.1	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-38.8	179.2	-169.2	49.6	70.4	0	0	113.2	V428 T430 N434 N436 Y442 T443	V428-Q432 WeakPolarHBondContact O-CB 3.42Å; V428-Q432 PolarHBondContact O-N 2.63Å; T430-Q432 PolarHBondContact O-N 2.95Å; Q432-N434 VanDerWaalsContact C-N 3.28Å; Q432-N434 PolarHBondContact O-N 2.62Å; Q432-N436 PolarHBondContact NE2-OD1 3.32Å; Q432-N436 PolarHBondContact O-N 3.03Å; Q432-N436 PolarHBondContact O-ND2 3.15Å; Q432-N436 PolarHBondContact O-OD1 3.02Å; Q432-Y442 VanDerWaalsContact NE2-CA 3.34Å; Q432-T443 VanDerWaalsContact OE1-CG2 3.26Å; Q432-T443 PolarHBondContact OE1-O 3.05Å
433	N	93.5	Very high	94.1	Very high	55 Å²	55	35.4 Å²	35.4	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-39.3	175.5	-176.8	79.5	0	0	0	111.7	A429 T430 I431 N436 Q437	A429-N433 VanDerWaalsContact O-CB 3.32Å; A429-N433 WeakPolarHBondContact O-CB 3.43Å; A429-N433 PolarHBondContact O-N 2.8Å; T430-N433 PolarHBondContact O-N 3.19Å; I431-N433 PolarHBondContact O-N 3.35Å; N433-N436 WeakPolarHBondContact O-CB 3.32Å; N433-N436 PolarHBondContact O-N 3.3Å; N433-Q437 VanDerWaalsContact ND2-CD 3.27Å; N433-Q437 PolarHBondContact ND2-NE2 3.05Å; N433-Q437 WeakPolarHBondContact O-CG 3.28Å; N433-Q437 PolarHBondContact O-N 3.26Å
434	N	93.9	Very high	94.2	Very high	26 Å²	26	32 Å²	32	14%	0.139	17%	0.169	C	C	.	.	H	α-helix	trans	-77.9	-32.4	-176	-62.3	-3.5	0	0	0	111.5	T430 I431 Q432 Q437 Q438 V497 Y501	T430-N434 PolarHBondContact O-N 2.91Å; T430-N434 PolarHBondContact O-OD1 3Å; I431-N434 PolarHBondContact O-N 3.22Å; I431-N434 VanDerWaalsContact O-N 3.15Å; Q432-N434 VanDerWaalsContact C-N 3.28Å; Q432-N434 PolarHBondContact O-N 2.62Å; N434-Q437 PolarHBondContact O-N 2.96Å; N434-Q438 WeakPolarHBondContact O-CB 3.48Å; N434-Q438 WeakPolarHBondContact O-CG 3.25Å; N434-Q438 PolarHBondContact O-N 2.8Å; N434-V497 HydrophobicContact CB-CG1 4.14Å; N434-Y501 HydrophobicContact CB-CE2 4.4Å; N434-Y501 PolarHBondContact ND2-OH 3.05Å
435	I	95	Very high	94.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-44.4	167.2	-61.6	166	0	0	0	110.2	I431 Q437 C439 C441 T443 Y446 K494 V497 I498	I431-I435 HydrophobicContact CG2-CD1 3.84Å; I431-I435 HydrophobicContact CG2-CG1 4.42Å; I431-I435 WeakPolarHBondContact O-CG1 3.35Å; I431-I435 PolarHBondContact O-N 2.95Å; I435-Q437 PolarHBondContact O-N 3.45Å; I435-C439 HydrophobicContact CG2-CB 4.31Å; I435-C439 WeakPolarHBondContact O-CA 3.43Å; I435-C439 VanDerWaalsContact O-CB 3.27Å; I435-C439 WeakPolarHBondContact O-CB 3.23Å; I435-C439 PolarHBondContact O-N 3.46Å; I435-C441 CarbonylContact C-O 3.42Å; I435-T443 HydrophobicContact CD1-CG2 4.02Å; I435-Y446 HydrophobicContact CD1-CD2 4.01Å; I435-Y446 HydrophobicContact CD1-CE2 3.88Å; I435-K494 HydrophobicContact CD1-CG 4.28Å; I435-K494 HydrophobicContact CG2-CB 4.48Å; I435-V497 HydrophobicContact CG1-CB 4.01Å; I435-V497 HydrophobicContact CG1-CG1 3.67Å; I435-I498 HydrophobicContact CD1-CD1 4.31Å; I435-I498 HydrophobicContact CD1-CG1 4.19Å
436	N	95	Very high	94.1	Very high	11 Å²	11	34 Å²	34	6%	0.059	18%	0.179	C	C	.	.	H	α-helix	trans	-58.4	-47.5	175.8	-60.3	-19.5	0	0	0	111.5	Q432 N433 G440 C441 Y442 Y454	Q432-N436 PolarHBondContact NE2-OD1 3.32Å; Q432-N436 PolarHBondContact O-N 3.03Å; Q432-N436 PolarHBondContact O-ND2 3.15Å; Q432-N436 PolarHBondContact O-OD1 3.02Å; N433-N436 WeakPolarHBondContact O-CB 3.32Å; N433-N436 PolarHBondContact O-N 3.3Å; N436-G440 WeakPolarHBondContact O-CA 3.24Å; N436-G440 PolarHBondContact O-N 3.43Å; N436-G440 VanDerWaalsContact O-N 3.13Å; N436-C441 WeakPolarHBondContact CA-O 3.32Å; N436-C441 PolarHBondContact N-O 3.23Å; N436-C441 PolarHBondContact OD1-O 3.05Å; N436-Y442 WeakPolarHBondContact OD1-CB 3.28Å; N436-Y454 HydrophobicContact CB-CD1 4.27Å; N436-Y454 HydrophobicContact CB-CD2 4.14Å; N436-Y454 HydrophobicContact CB-CE1 4.05Å; N436-Y454 HydrophobicContact CB-CE2 3.94Å; N436-Y454 HydrophobicContact CB-CG 4.31Å; N436-Y454 VanDerWaalsContact O-CE1 3.23Å; N436-Y454 WeakPolarHBondContact O-CE1 3.42Å
437	Q	94.6	Very high	94	Very high	130 Å²	130	34 Å²	34	61%	0.607	18%	0.179	S	C	*	.	H	α-helix	trans	-72.9	-38.1	-174.9	-73.2	-179.1	-4.5	0	0	113.7	N433 N434 I435	N433-Q437 VanDerWaalsContact ND2-CD 3.27Å; N433-Q437 PolarHBondContact ND2-NE2 3.05Å; N433-Q437 WeakPolarHBondContact O-CG 3.28Å; N433-Q437 PolarHBondContact O-N 3.26Å; N434-Q437 PolarHBondContact O-N 2.96Å; I435-Q437 PolarHBondContact O-N 3.45Å
438	Q	95.3	Very high	93.9	Very high	125 Å²	125	30 Å²	30	58%	0.584	16%	0.164	S	C	*	.	H	α-helix	trans	-92.6	-32.9	-175.8	-63.3	-174	0.5	0	0	113.1	N434 V497	N434-Q438 WeakPolarHBondContact O-CB 3.48Å; N434-Q438 WeakPolarHBondContact O-CG 3.25Å; N434-Q438 PolarHBondContact O-N 2.8Å; Q438-V497 HydrophobicContact CB-CG2 4.14Å
439	C	94.9	Very high	93.7	Very high	22 Å²	22	31.2 Å²	31.2	15%	0.149	17%	0.17	C	C	.	.	H	α-helix	trans	-108.8	-7.1	-174.5	-50.5	0	0	0	0	114.3	I435 C441 C493 K494	I435-C439 HydrophobicContact CG2-CB 4.31Å; I435-C439 WeakPolarHBondContact O-CA 3.43Å; I435-C439 VanDerWaalsContact O-CB 3.27Å; I435-C439 WeakPolarHBondContact O-CB 3.23Å; I435-C439 PolarHBondContact O-N 3.46Å; C439-C441 PolarHBondContact O-N 3.36Å; C439-C493 WeakPolarHBondContact CA-SG 3.45Å; C439-C493 HydrophobicContact CB-CB 3.79Å; C439-C493 WeakPolarHBondContact CB-SG 3.48Å; C439-C493 WeakPolarHBondContact SG-CB 3Å; C439-C493 CovalentContact SG-SG 2.04Å; C439-C493 PolarHBondContact SG-SG 2.85Å; C439-K494 PolarHBondContact SG-N 3.16Å
440	G	94.8	Very high	93.2	Very high	46 Å²	46	32.5 Å²	32.5	47%	0.474	17%	0.172	S	C	.	.	S	Bend	trans	65.4	18.2	-179.9	0	0	0	0	0	114.4	N436	N436-G440 WeakPolarHBondContact O-CA 3.24Å; N436-G440 PolarHBondContact O-N 3.43Å; N436-G440 VanDerWaalsContact O-N 3.13Å
441	C	95.5	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.7	-177.7	67.7	0	0	0	0	111.9	I435 N436 C439 K455 C457	I435-C441 CarbonylContact C-O 3.42Å; N436-C441 WeakPolarHBondContact CA-O 3.32Å; N436-C441 PolarHBondContact N-O 3.23Å; N436-C441 PolarHBondContact OD1-O 3.05Å; C439-C441 PolarHBondContact O-N 3.36Å; C441-K455 CarbonylContact C-O 3.57Å; C441-K455 WeakPolarHBondContact CA-O 3.42Å; C441-K455 VanDerWaalsContact CB-O 3.31Å; C441-K455 WeakPolarHBondContact CB-O 3.37Å; C441-C457 VanDerWaalsContact C-SG 3.57Å; C441-C457 HydrophobicContact CB-CB 3.91Å; C441-C457 WeakPolarHBondContact CB-SG 3.21Å; C441-C457 WeakPolarHBondContact SG-CA 3.23Å; C441-C457 WeakPolarHBondContact SG-CB 3.09Å; C441-C457 CovalentContact SG-SG 2.05Å; C441-C457 PolarHBondContact SG-SG 2.99Å
442	Y	95.3	Very high	92.5	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	158.6	171.5	76.3	-101.9	0	0	0	112	R267 Q432 N436 M444 Y448 E450 Y454 K455 P456 C457	R267-Y442 PolarHBondContact NH1-OH 3.02Å; R267-Y442 PolarHBondContact NH2-OH 2.91Å; Q432-Y442 VanDerWaalsContact NE2-CA 3.34Å; N436-Y442 WeakPolarHBondContact OD1-CB 3.28Å; Y442-M444 HydrophobicContact CE2-CG 4.27Å; Y442-Y448 HydrophobicContact CD2-CD1 4.38Å; Y442-Y448 AromaticContact CD2-CD2 3.64Å; Y442-Y448 HydrophobicContact CD2-CD2 3.64Å; Y442-Y448 HydrophobicContact CD2-CE2 4.41Å; Y442-Y448 AromaticContact CD2-CG 3.62Å; Y442-Y448 HydrophobicContact CD2-CG 3.62Å; Y442-Y448 HydrophobicContact CE2-CD1 4.39Å; Y442-Y448 AromaticContact CE2-CD2 3.25Å; Y442-Y448 HydrophobicContact CE2-CD2 3.25Å; Y442-Y448 AromaticContact CE2-CE2 3.62Å; Y442-Y448 HydrophobicContact CE2-CE2 3.62Å; Y442-Y448 AromaticContact CE2-CG 3.69Å; Y442-Y448 HydrophobicContact CE2-CG 3.69Å; Y442-Y448 HydrophobicContact CG-CD2 4.46Å; Y442-Y448 HydrophobicContact CG-CG 4.49Å; Y442-Y448 AromaticContact CZ-CD2 3.77Å; Y442-E450 PolarHBondContact OH-OE1 3.08Å; Y442-Y454 WeakPolarHBondContact CD1-O 3.34Å; Y442-Y454 VanDerWaalsContact CE1-O 3.26Å; Y442-Y454 WeakPolarHBondContact CE1-O 3.36Å; Y442-K455 PolarHBondContact N-O 3.25Å; Y442-P456 HydrophobicContact CE1-CG 4.06Å; Y442-P456 HydrophobicContact CE2-CG 4.2Å; Y442-P456 CarbonylContact O-C 3.59Å; Y442-P456 VanDerWaalsContact O-CA 3.3Å; Y442-P456 WeakPolarHBondContact O-CA 3.14Å; Y442-C457 VanDerWaalsContact C-SG 3.58Å; Y442-C457 PolarHBondContact O-N 3.06Å; Y442-C457 PolarHBondContact O-SG 3.19Å
443	T	94.3	Very high	92.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.			trans	-124.2	155.1	170.2	-171.7	0	0	0	0	111	E259 Q432 I435 E445 Y446 K494	E259-T443 WeakPolarHBondContact OE1-CA 3.49Å; E259-T443 VanDerWaalsContact OE1-CB 3.31Å; E259-T443 WeakPolarHBondContact OE1-CB 3.4Å; E259-T443 PolarHBondContact OE1-OG1 2.77Å; Q432-T443 VanDerWaalsContact OE1-CG2 3.26Å; Q432-T443 PolarHBondContact OE1-O 3.05Å; I435-T443 HydrophobicContact CD1-CG2 4.02Å; T443-E445 HydrophobicContact CG2-CB 4.34Å; T443-Y446 HydrophobicContact CG2-CD2 3.76Å; T443-Y446 HydrophobicContact CG2-CE2 4.23Å; T443-K494 HydrophobicContact CG2-CD 4.24Å; T443-K494 PolarHBondContact OG1-NZ 3.36Å
444	M	93.2	Very high	92.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.7	-178.6	-61.3	-161.1	-44.1	0	0	114.6	L258 E259 I306 A308 Y442 Y446 Y448	L258-M444 HydrophobicContact CB-CE 3.26Å; L258-M444 HydrophobicContact CB-SD 4.4Å; L258-M444 HydrophobicContact CD1-CE 3.93Å; L258-M444 HydrophobicContact CG-CE 4.26Å; E259-M444 HydrophobicContact CG-CB 4.37Å; E259-M444 HydrophobicContact CG-CE 4.25Å; E259-M444 HydrophobicContact CG-CG 3.73Å; E259-M444 HydrophobicContact CG-SD 4.34Å; E259-M444 PolarHBondContact OE1-N 2.9Å; I306-M444 HydrophobicContact CG2-CE 4.45Å; I306-M444 HydrophobicContact CG2-SD 4.17Å; A308-M444 HydrophobicContact CB-CB 4.31Å; Y442-M444 HydrophobicContact CE2-CG 4.27Å; M444-Y446 PolarHBondContact O-N 3.43Å; M444-Y448 HydrophobicContact CB-CD1 4.25Å; M444-Y448 HydrophobicContact CB-CE1 3.78Å; M444-Y448 HydrophobicContact CG-CD1 4.1Å; M444-Y448 HydrophobicContact CG-CE1 3.52Å; M444-Y448 HydrophobicContact CG-CE2 4.48Å; M444-Y448 HydrophobicContact SD-CE1 4.08Å; M444-Y448 PolarHBondContact SD-OH 3.22Å
445	E	91.3	Very high	92.1	Very high	71 Å²	71	52 Å²	52	33%	0.332	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.4	172.7	-73.7	154.1	-152.9	0	0	112.4	A308 T443 K494	A308-E445 HydrophobicContact CB-CG 4.29Å; T443-E445 HydrophobicContact CG2-CB 4.34Å; E445-K494 IonicContact OE1-NZ 3.58Å; E445-K494 PolarHBondContact OE1-NZ 3.17Å; E445-K494 WeakPolarHBondContact OE2-CE 3.45Å; E445-K494 IonicContact OE2-NZ 2.63Å; E445-K494 PolarHBondContact OE2-NZ 3.47Å
446	Y	93.1	Very high	92.1	Very high	38 Å²	38	52.7 Å²	52.7	15%	0.149	28%	0.279	C	S	.	.	S	Bend	trans	-123.8	161.9	178.2	-52.1	-58.7	0	0	0	110.9	V428 I431 I435 T443 M444 Y448 I498	V428-Y446 HydrophobicContact CB-CD1 3.86Å; V428-Y446 HydrophobicContact CB-CG 4.49Å; V428-Y446 HydrophobicContact CG1-CD1 3.93Å; V428-Y446 HydrophobicContact CG1-CE1 4.4Å; I431-Y446 HydrophobicContact CB-CD2 4.48Å; I431-Y446 HydrophobicContact CB-CE2 4.29Å; I431-Y446 HydrophobicContact CD1-CE1 4.36Å; I431-Y446 HydrophobicContact CG2-CD2 3.89Å; I431-Y446 HydrophobicContact CG2-CE1 4.45Å; I431-Y446 HydrophobicContact CG2-CE2 3.37Å; I435-Y446 HydrophobicContact CD1-CD2 4.01Å; I435-Y446 HydrophobicContact CD1-CE2 3.88Å; T443-Y446 HydrophobicContact CG2-CD2 3.76Å; T443-Y446 HydrophobicContact CG2-CE2 4.23Å; M444-Y446 PolarHBondContact O-N 3.43Å; Y446-Y448 WeakPolarHBondContact O-CD1 3.2Å; Y446-Y448 PolarHBondContact O-N 2.74Å; Y446-I498 HydrophobicContact CE2-CD1 4.04Å; Y446-I498 HydrophobicContact CE2-CG1 4.27Å
447	P	92.5	Very high	92.1	Very high	15 Å²	15	52.1 Å²	52.1	10%	0.097	28%	0.276	C	S	.	.			trans	-65.9	106.8	-178.4	-21.8	34.2	0	0	0	113.3	L369 L414 Y415 V428	L369-P447 HydrophobicContact CD1-CG 4.2Å; L369-P447 HydrophobicContact CD2-CG 3.78Å; L414-P447 HydrophobicContact CB-CB 3.97Å; L414-P447 HydrophobicContact CD1-CB 4.4Å; L414-P447 HydrophobicContact CD1-CG 4.3Å; L414-P447 HydrophobicContact CD2-CB 4.05Å; L414-P447 HydrophobicContact CG-CB 4.36Å; Y415-P447 HydrophobicContact CD1-CB 4.43Å; Y415-P447 HydrophobicContact CD2-CB 4.29Å; Y415-P447 HydrophobicContact CE1-CB 4Å; Y415-P447 HydrophobicContact CE2-CB 3.83Å; Y415-P447 HydrophobicContact CE2-CG 4.14Å; V428-P447 VanDerWaalsContact CG2-CD 3.41Å; V428-P447 HydrophobicContact CG2-CG 3.73Å
448	Y	92	Very high	92	Very high	8 Å²	8	46.2 Å²	46.2	3%	0.031	25%	0.248	C	C	.	.			trans	-99.4	174.5	179.8	64.5	-80.9	0	0	0	112.4	N264 Y415 Y442 M444 Y446 E450	N264-Y448 PolarHBondContact OD1-OH 3.21Å; Y415-Y448 HydrophobicContact CE1-CD1 4.2Å; Y415-Y448 HydrophobicContact CE1-CE1 4.24Å; Y442-Y448 HydrophobicContact CD2-CD1 4.38Å; Y442-Y448 AromaticContact CD2-CD2 3.64Å; Y442-Y448 HydrophobicContact CD2-CD2 3.64Å; Y442-Y448 HydrophobicContact CD2-CE2 4.41Å; Y442-Y448 AromaticContact CD2-CG 3.62Å; Y442-Y448 HydrophobicContact CD2-CG 3.62Å; Y442-Y448 HydrophobicContact CE2-CD1 4.39Å; Y442-Y448 AromaticContact CE2-CD2 3.25Å; Y442-Y448 HydrophobicContact CE2-CD2 3.25Å; Y442-Y448 AromaticContact CE2-CE2 3.62Å; Y442-Y448 HydrophobicContact CE2-CE2 3.62Å; Y442-Y448 AromaticContact CE2-CG 3.69Å; Y442-Y448 HydrophobicContact CE2-CG 3.69Å; Y442-Y448 HydrophobicContact CG-CD2 4.46Å; Y442-Y448 HydrophobicContact CG-CG 4.49Å; Y442-Y448 AromaticContact CZ-CD2 3.77Å; M444-Y448 HydrophobicContact CB-CD1 4.25Å; M444-Y448 HydrophobicContact CB-CE1 3.78Å; M444-Y448 HydrophobicContact CG-CD1 4.1Å; M444-Y448 HydrophobicContact CG-CE1 3.52Å; M444-Y448 HydrophobicContact CG-CE2 4.48Å; M444-Y448 HydrophobicContact SD-CE1 4.08Å; M444-Y448 PolarHBondContact SD-OH 3.22Å; Y446-Y448 WeakPolarHBondContact O-CD1 3.2Å; Y446-Y448 PolarHBondContact O-N 2.74Å; Y448-E450 HydrophobicContact CD2-CG 4.17Å; Y448-E450 HydrophobicContact CE2-CG 3.99Å
449	N	88	Confident	91.9	Very high	34 Å²	34	41.4 Å²	41.4	18%	0.182	23%	0.227	C	C	.	.			trans	-147.5	115	174.7	-178.6	-22.9	0	0	0	108.4	D416 N451 K452	D416-N449 PolarHBondContact OD1-ND2 3.09Å; D416-N449 PolarHBondContact OD2-OD1 2.66Å; N449-N451 VanDerWaalsContact C-N 3.27Å; N449-N451 PolarHBondContact O-N 2.8Å; N449-N451 WeakPolarHBondContact OD1-CA 3.43Å; N449-N451 VanDerWaalsContact OD1-CB 3.22Å; N449-N451 WeakPolarHBondContact OD1-CB 3.25Å; N449-N451 PolarHBondContact OD1-N 2.97Å; N449-N451 PolarHBondContact OD1-ND2 3Å; N449-N451 VanDerWaalsContact OD1-ND2 3.15Å; N449-K452 HydrophobicContact CB-CD 4.38Å; N449-K452 HydrophobicContact CB-CG 4.21Å; N449-K452 PolarHBondContact O-N 3.15Å
450	E	84.5	Confident	91.8	Very high	50 Å²	50	40.4 Å²	40.4	23%	0.234	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-66.8	-28.9	-178.1	-59.4	-165.1	118.9	0	0	112.5	N264 R267 Y442 Y448 K452 G453	N264-E450 WeakPolarHBondContact CB-OE2 3.48Å; N264-E450 PolarHBondContact N-OE1 2.98Å; N264-E450 PolarHBondContact N-OE2 3.45Å; N264-E450 PolarHBondContact ND2-OE2 2.7Å; N264-E450 VanDerWaalsContact ND2-OE2 3.13Å; R267-E450 IonicContact CZ-OE1 3.47Å; R267-E450 IonicContact NH1-OE1 2.62Å; R267-E450 PolarHBondContact NH1-OE1 3.11Å; R267-E450 IonicContact NH2-OE1 3.4Å; Y442-E450 PolarHBondContact OH-OE1 3.08Å; Y448-E450 HydrophobicContact CD2-CG 4.17Å; Y448-E450 HydrophobicContact CE2-CG 3.99Å; E450-K452 PolarHBondContact O-N 3.38Å; E450-G453 PolarHBondContact O-N 3.32Å; E450-G453 VanDerWaalsContact O-N 3.07Å
451	N	84.5	Confident	91.7	Very high	132 Å²	132	40.4 Å²	40.4	71%	0.706	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-66.9	-9.5	-179.1	-52.5	-58.4	0	0	0	112.9	D416 N449 G453	D416-N451 PolarHBondContact OD2-ND2 2.9Å; N449-N451 VanDerWaalsContact C-N 3.27Å; N449-N451 PolarHBondContact O-N 2.8Å; N449-N451 WeakPolarHBondContact OD1-CA 3.43Å; N449-N451 VanDerWaalsContact OD1-CB 3.22Å; N449-N451 WeakPolarHBondContact OD1-CB 3.25Å; N449-N451 PolarHBondContact OD1-N 2.97Å; N449-N451 PolarHBondContact OD1-ND2 3Å; N449-N451 VanDerWaalsContact OD1-ND2 3.15Å; N451-G453 VanDerWaalsContact C-N 3.27Å; N451-G453 PolarHBondContact O-N 2.92Å
452	K	86.1	Confident	91.4	Very high	120 Å²	120	43.2 Å²	43.2	52%	0.522	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-77.9	-4.2	172.2	-66.3	-170.9	175.8	-175.1	0	114	N449 E450 Y454	N449-K452 HydrophobicContact CB-CD 4.38Å; N449-K452 HydrophobicContact CB-CG 4.21Å; N449-K452 PolarHBondContact O-N 3.15Å; E450-K452 PolarHBondContact O-N 3.38Å; K452-Y454 VanDerWaalsContact C-N 3.26Å; K452-Y454 HydrophobicContact CB-CD2 3.77Å; K452-Y454 HydrophobicContact CB-CE2 4.09Å; K452-Y454 WeakPolarHBondContact O-CD2 3.44Å; K452-Y454 PolarHBondContact O-N 3.38Å
453	G	88.3	Confident	91.2	Very high	69 Å²	69	42.9 Å²	42.9	71%	0.711	22%	0.224	S	C	*	.			trans	77.8	-4.5	172.9	0	0	0	0	0	116.4	E450 N451	E450-G453 PolarHBondContact O-N 3.32Å; E450-G453 VanDerWaalsContact O-N 3.07Å; N451-G453 VanDerWaalsContact C-N 3.27Å; N451-G453 PolarHBondContact O-N 2.92Å
454	Y	92.2	Very high	91.1	Very high	87 Å²	87	43.1 Å²	43.1	34%	0.341	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-68.2	148.1	170.4	-63.3	-81	0	0	0	110.9	N436 Y442 K452	N436-Y454 HydrophobicContact CB-CD1 4.27Å; N436-Y454 HydrophobicContact CB-CD2 4.14Å; N436-Y454 HydrophobicContact CB-CE1 4.05Å; N436-Y454 HydrophobicContact CB-CE2 3.94Å; N436-Y454 HydrophobicContact CB-CG 4.31Å; N436-Y454 VanDerWaalsContact O-CE1 3.23Å; N436-Y454 WeakPolarHBondContact O-CE1 3.42Å; Y442-Y454 WeakPolarHBondContact CD1-O 3.34Å; Y442-Y454 VanDerWaalsContact CE1-O 3.26Å; Y442-Y454 WeakPolarHBondContact CE1-O 3.36Å; K452-Y454 VanDerWaalsContact C-N 3.26Å; K452-Y454 HydrophobicContact CB-CD2 3.77Å; K452-Y454 HydrophobicContact CB-CE2 4.09Å; K452-Y454 WeakPolarHBondContact O-CD2 3.44Å; K452-Y454 PolarHBondContact O-N 3.38Å
455	K	93.1	Very high	91	Very high	126 Å²	126	46 Å²	46	55%	0.548	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	159.2	170.3	-68.5	-168.6	177.1	-170.7	0	111.4	C441 Y442 D459	C441-K455 CarbonylContact C-O 3.57Å; C441-K455 WeakPolarHBondContact CA-O 3.42Å; C441-K455 VanDerWaalsContact CB-O 3.31Å; C441-K455 WeakPolarHBondContact CB-O 3.37Å; Y442-K455 PolarHBondContact N-O 3.25Å; K455-D459 WeakPolarHBondContact CD-OD2 3.19Å
456	P	94.8	Very high	90.6	Very high	14 Å²	14	47.4 Å²	47.4	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	149.1	165.5	-23.8	33.8	0	0	0	112.2	E259 Y442 T458 D459	E259-P456 HydrophobicContact CB-CB 3.84Å; E259-P456 HydrophobicContact CG-CB 4.07Å; E259-P456 WeakPolarHBondContact O-CB 3.22Å; E259-P456 WeakPolarHBondContact O-CG 3.48Å; Y442-P456 HydrophobicContact CE1-CG 4.06Å; Y442-P456 HydrophobicContact CE2-CG 4.2Å; Y442-P456 CarbonylContact O-C 3.59Å; Y442-P456 VanDerWaalsContact O-CA 3.3Å; Y442-P456 WeakPolarHBondContact O-CA 3.14Å; P456-T458 VanDerWaalsContact C-N 3.34Å; P456-D459 HydrophobicContact CB-CB 4.21Å; P456-D459 WeakPolarHBondContact O-CB 3.44Å
457	C	94.7	Very high	90	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-71.6	-30.9	176.6	-64.5	0	0	0	0	111.7	C441 Y442 R490 I491	C441-C457 VanDerWaalsContact C-SG 3.57Å; C441-C457 HydrophobicContact CB-CB 3.91Å; C441-C457 WeakPolarHBondContact CB-SG 3.21Å; C441-C457 WeakPolarHBondContact SG-CA 3.23Å; C441-C457 WeakPolarHBondContact SG-CB 3.09Å; C441-C457 CovalentContact SG-SG 2.05Å; C441-C457 PolarHBondContact SG-SG 2.99Å; Y442-C457 VanDerWaalsContact C-SG 3.58Å; Y442-C457 PolarHBondContact O-N 3.06Å; Y442-C457 PolarHBondContact O-SG 3.19Å; C457-R490 HydrophobicContact CB-CB 4.38Å; C457-R490 WeakPolarHBondContact O-CB 3.38Å; C457-R490 PolarHBondContact O-NE 3.19Å; C457-I491 HydrophobicContact CB-CD1 4.09Å
458	T	93.9	Very high	89.6	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	-71.1	-71.3	170.6	-50.5	0	0	0	0	111.5	A251 G256 E259 P456 L460 F487 R490	A251-T458 HydrophobicContact CB-CG2 4.06Å; G256-T458 WeakPolarHBondContact O-CG2 3.3Å; E259-T458 VanDerWaalsContact OE2-CB 3.22Å; E259-T458 WeakPolarHBondContact OE2-CB 3.37Å; E259-T458 PolarHBondContact OE2-N 3.5Å; E259-T458 PolarHBondContact OE2-OG1 3.31Å; P456-T458 VanDerWaalsContact C-N 3.34Å; T458-L460 HydrophobicContact CG2-CB 4.24Å; T458-L460 HydrophobicContact CG2-CD1 3.73Å; T458-L460 HydrophobicContact CG2-CG 3.82Å; T458-L460 PolarHBondContact O-N 3.17Å; T458-L460 VanDerWaalsContact O-N 3.1Å; T458-F487 HydrophobicContact CG2-CD2 4.04Å; T458-F487 HydrophobicContact CG2-CE2 3.91Å; T458-R490 PolarHBondContact O-NH2 2.77Å
459	D	93.1	Very high	89.2	Confident	25 Å²	25	52.2 Å²	52.2	13%	0.134	28%	0.284	C	S	.	.			trans	43.5	44.9	177	167.4	45.9	0	0	0	113	K455 P456 S461 N483 R490	K455-D459 WeakPolarHBondContact CD-OD2 3.19Å; P456-D459 HydrophobicContact CB-CB 4.21Å; P456-D459 WeakPolarHBondContact O-CB 3.44Å; D459-S461 PolarHBondContact O-N 3.31Å; D459-S461 PolarHBondContact OD1-OG 2.75Å; D459-S461 VanDerWaalsContact OD1-OG 3.14Å; D459-N483 PolarHBondContact O-OD1 3.48Å; D459-R490 IonicContact OD2-CZ 3.3Å; D459-R490 IonicContact OD2-NH1 2.93Å; D459-R490 PolarHBondContact OD2-NH1 3.49Å; D459-R490 IonicContact OD2-NH2 3.59Å; D459-R490 PolarHBondContact OD2-NH2 3.37Å
460	L	93.3	Very high	88.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.			trans	-82.7	45.3	172.1	-69	171.2	0	0	0	109.7	F224 I228 A251 S260 T458 Q462 F463 N483 F484 F487	F224-L460 HydrophobicContact CE2-CB 4.3Å; F224-L460 HydrophobicContact CZ-CB 4.25Å; I228-L460 HydrophobicContact CD1-CB 4.27Å; I228-L460 HydrophobicContact CD1-CD1 3.49Å; I228-L460 VanDerWaalsContact CD1-CD1 3.49Å; I228-L460 HydrophobicContact CG1-CD1 3.98Å; I228-L460 HydrophobicContact CG2-CD1 4.42Å; A251-L460 HydrophobicContact CB-CD1 4.5Å; S260-L460 WeakPolarHBondContact OG-CB 3.41Å; S260-L460 PolarHBondContact OG-N 3.45Å; S260-L460 VanDerWaalsContact OG-N 3.14Å; T458-L460 HydrophobicContact CG2-CB 4.24Å; T458-L460 HydrophobicContact CG2-CD1 3.73Å; T458-L460 HydrophobicContact CG2-CG 3.82Å; T458-L460 PolarHBondContact O-N 3.17Å; T458-L460 VanDerWaalsContact O-N 3.1Å; L460-Q462 PolarHBondContact O-N 2.88Å; L460-F463 HydrophobicContact CB-CB 4.46Å; L460-F463 HydrophobicContact CB-CD2 3.94Å; L460-F463 HydrophobicContact CB-CG 4.49Å; L460-F463 HydrophobicContact CD2-CD2 4.07Å; L460-F463 HydrophobicContact CD2-CE2 3.98Å; L460-F463 WeakPolarHBondContact O-CB 3.39Å; L460-F463 PolarHBondContact O-N 3.05Å; L460-N483 WeakPolarHBondContact CD2-OD1 3.38Å; L460-F484 HydrophobicContact CD1-CD2 4.48Å; L460-F484 HydrophobicContact CD1-CE2 4.21Å; L460-F484 HydrophobicContact CD2-CD2 3.86Å; L460-F484 HydrophobicContact CD2-CE2 4.39Å; L460-F487 HydrophobicContact CD1-CD1 3.95Å; L460-F487 HydrophobicContact CD1-CD2 4.15Å; L460-F487 HydrophobicContact CD1-CE1 4.12Å; L460-F487 HydrophobicContact CD1-CE2 4.26Å; L460-F487 HydrophobicContact CD1-CG 3.97Å; L460-F487 HydrophobicContact CD1-CZ 4.28Å; L460-F487 HydrophobicContact CD2-CB 3.53Å; L460-F487 HydrophobicContact CD2-CD1 3.99Å; L460-F487 HydrophobicContact CD2-CG 3.76Å; L460-F487 HydrophobicContact CG-CB 4.08Å; L460-F487 HydrophobicContact CG-CD1 4.34Å; L460-F487 HydrophobicContact CG-CD2 4.22Å; L460-F487 HydrophobicContact CG-CG 3.96Å
461	S	91.4	Very high	88.7	Confident	47 Å²	47	54.7 Å²	54.7	33%	0.329	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-56.8	-27.7	-170.3	41	0	0	0	0	113.8	D459 F463	D459-S461 PolarHBondContact O-N 3.31Å; D459-S461 PolarHBondContact OD1-OG 2.75Å; D459-S461 VanDerWaalsContact OD1-OG 3.14Å; S461-F463 VanDerWaalsContact C-N 3.32Å; S461-F463 PolarHBondContact O-N 3.49Å
462	Q	88.9	Confident	88.3	Confident	58 Å²	58	54.6 Å²	54.6	27%	0.271	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-71	-20	174.2	-68	-63.3	-26.1	0	0	114.5	L460 N468 L479	L460-Q462 PolarHBondContact O-N 2.88Å; Q462-N468 WeakPolarHBondContact O-CB 3.28Å; Q462-N468 PolarHBondContact OE1-ND2 2.89Å; Q462-N468 VanDerWaalsContact OE1-ND2 3.1Å; Q462-L479 HydrophobicContact CG-CD2 4.32Å; Q462-L479 HydrophobicContact CG-CG 4.35Å
463	F	91	Very high	87.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-85.2	-7.2	-178.4	-72.8	-102.3	0	0	0	113.4	K219 F224 I228 Y231 L460 S461 C469 C480 F484	K219-F463 VanDerWaalsContact CD-O 3.3Å; K219-F463 WeakPolarHBondContact CD-O 3.49Å; K219-F463 VanDerWaalsContact CE-O 3.24Å; K219-F463 WeakPolarHBondContact CE-O 3.43Å; K219-F463 PolarHBondContact NZ-O 3.15Å; F224-F463 HydrophobicContact CD2-CB 4.02Å; F224-F463 HydrophobicContact CE2-CB 3.94Å; I228-F463 HydrophobicContact CD1-CB 4.03Å; I228-F463 HydrophobicContact CD1-CD1 4.3Å; I228-F463 HydrophobicContact CD1-CG 4.17Å; I228-F463 HydrophobicContact CG1-CB 4.28Å; I228-F463 HydrophobicContact CG1-CD1 3.62Å; I228-F463 HydrophobicContact CG1-CE1 4.06Å; I228-F463 HydrophobicContact CG1-CG 3.95Å; Y231-F463 HydrophobicContact CD1-CE1 4.05Å; Y231-F463 AromaticContact CD1-CZ 3.99Å; Y231-F463 HydrophobicContact CD1-CZ 3.99Å; Y231-F463 AromaticContact CD2-CE1 3.98Å; Y231-F463 HydrophobicContact CD2-CE1 3.98Å; Y231-F463 HydrophobicContact CE1-CE1 4.39Å; Y231-F463 HydrophobicContact CE1-CZ 4.36Å; Y231-F463 HydrophobicContact CE2-CE1 4.33Å; Y231-F463 AromaticContact CG-CE1 3.83Å; Y231-F463 HydrophobicContact CG-CE1 3.83Å; Y231-F463 HydrophobicContact CG-CZ 4.18Å; L460-F463 HydrophobicContact CB-CB 4.46Å; L460-F463 HydrophobicContact CB-CD2 3.94Å; L460-F463 HydrophobicContact CB-CG 4.49Å; L460-F463 HydrophobicContact CD2-CD2 4.07Å; L460-F463 HydrophobicContact CD2-CE2 3.98Å; L460-F463 WeakPolarHBondContact O-CB 3.39Å; L460-F463 PolarHBondContact O-N 3.05Å; S461-F463 VanDerWaalsContact C-N 3.32Å; S461-F463 PolarHBondContact O-N 3.49Å; F463-C469 HydrophobicContact CD1-CB 3.47Å; F463-C469 VanDerWaalsContact CD1-CB 3.47Å; F463-C469 HydrophobicContact CD2-CB 4.13Å; F463-C469 HydrophobicContact CE1-CB 3.51Å; F463-C469 HydrophobicContact CE2-CB 4.14Å; F463-C469 HydrophobicContact CG-CB 3.8Å; F463-C469 HydrophobicContact CZ-CB 3.85Å; F463-C480 HydrophobicContact CZ-CB 4.27Å; F463-F484 HydrophobicContact CE1-CD2 4.49Å; F463-F484 HydrophobicContact CE2-CD2 4.1Å; F463-F484 AromaticContact CZ-CD2 3.77Å; F463-F484 HydrophobicContact CZ-CD2 3.77Å; F463-F484 HydrophobicContact CZ-CE2 4.49Å
464	I	92.7	Very high	86.3	Confident	6 Å²	6	55.7 Å²	55.7	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	-77.9	-44.9	-174.9	-58.3	160.4	0	0	0	112.4	W218 K219 F224 S260 L261 Q466	W218-I464 WeakPolarHBondContact CA-O 3.16Å; W218-I464 HydrophobicContact CB-CG2 3.7Å; W218-I464 HydrophobicContact CD2-CG2 3.85Å; W218-I464 HydrophobicContact CG-CG2 3.43Å; W218-I464 VanDerWaalsContact CG-CG2 3.43Å; K219-I464 WeakPolarHBondContact CG-O 3.32Å; K219-I464 PolarHBondContact N-O 3.34Å; F224-I464 HydrophobicContact CD2-CG1 4.4Å; F224-I464 HydrophobicContact CE2-CG1 4.31Å; S260-I464 VanDerWaalsContact C-CD1 3.46Å; S260-I464 WeakPolarHBondContact O-CD1 3.47Å; L261-I464 HydrophobicContact CD2-CD1 4.18Å; L261-I464 HydrophobicContact CD2-CG2 4.2Å; I464-Q466 PolarHBondContact O-N 2.81Å
465	N	90.9	Very high	84.6	Confident	62 Å²	62	57.5 Å²	57.5	33%	0.332	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-69	132.8	-175.8	-67.6	-16.4	0	0	0	109.8	W218 K219 S467 N468	W218-N465 VanDerWaalsContact CD1-OD1 3.28Å; W218-N465 PolarHBondContact NE1-OD1 3.18Å; K219-N465 WeakPolarHBondContact CE-O 3.07Å; N465-S467 PolarHBondContact O-N 3.16Å; N465-N468 HydrophobicContact CB-CB 4.39Å; N465-N468 PolarHBondContact O-N 2.84Å
466	Q	83.6	Confident	83.1	Confident	100 Å²	100	53.7 Å²	53.7	47%	0.467	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.4	-175.3	-70	169.3	20.4	0	0	113.8	G217 W218 K219 I464 N470	G217-Q466 VanDerWaalsContact O-CG 3.32Å; G217-Q466 WeakPolarHBondContact O-CG 3.49Å; G217-Q466 PolarHBondContact O-N 3.46Å; W218-Q466 PolarHBondContact O-NE2 2.88Å; K219-Q466 HydrophobicContact CG-CG 3.93Å; I464-Q466 PolarHBondContact O-N 2.81Å; Q466-N470 PolarHBondContact O-ND2 3.4Å
467	S	81.5	Confident	82	Confident	99 Å²	99	56.6 Å²	56.6	69%	0.692	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-24.7	176.4	54.8	0	0	0	0	115.2	N465	N465-S467 PolarHBondContact O-N 3.16Å
468	N	82.9	Confident	81.3	Confident	53 Å²	53	62.2 Å²	62.2	28%	0.283	33%	0.331	S	S	.	.	S	Bend	trans	-108.3	144.3	-166.2	-68.2	27.6	0	0	0	111.2	K219 Q462 N465 N470	K219-N468 PolarHBondContact NZ-O 2.88Å; Q462-N468 WeakPolarHBondContact O-CB 3.28Å; Q462-N468 PolarHBondContact OE1-ND2 2.89Å; Q462-N468 VanDerWaalsContact OE1-ND2 3.1Å; N465-N468 HydrophobicContact CB-CB 4.39Å; N465-N468 PolarHBondContact O-N 2.84Å; N468-N470 VanDerWaalsContact C-N 3.33Å; N468-N470 PolarHBondContact O-N 2.95Å
469	C	83.8	Confident	80.9	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.061	35%	0.354	C	S	.	.	S	Bend	trans	42.8	55.8	175.8	-45.8	0	0	0	0	112.9	K219 F463 C480	K219-C469 PolarHBondContact NZ-O 2.74Å; F463-C469 HydrophobicContact CD1-CB 3.47Å; F463-C469 VanDerWaalsContact CD1-CB 3.47Å; F463-C469 HydrophobicContact CD2-CB 4.13Å; F463-C469 HydrophobicContact CE1-CB 3.51Å; F463-C469 HydrophobicContact CE2-CB 4.14Å; F463-C469 HydrophobicContact CG-CB 3.8Å; F463-C469 HydrophobicContact CZ-CB 3.85Å; C469-C480 VanDerWaalsContact CA-SG 3.52Å; C469-C480 HydrophobicContact CB-CB 3.89Å; C469-C480 WeakPolarHBondContact CB-SG 3.42Å; C469-C480 WeakPolarHBondContact SG-CB 3.25Å; C469-C480 CovalentContact SG-SG 2.04Å; C469-C480 PolarHBondContact SG-SG 3.45Å
470	N	82.5	Confident	80.7	Confident	47 Å²	47	65.7 Å²	65.7	25%	0.251	35%	0.349	S	S	.	.			trans	-103.1	133.1	-174.7	-178.7	-40.6	0	0	0	109.9	Q466 N468 N472 N473	Q466-N470 PolarHBondContact O-ND2 3.4Å; N468-N470 VanDerWaalsContact C-N 3.33Å; N468-N470 PolarHBondContact O-N 2.95Å; N470-N472 PolarHBondContact O-N 3.35Å; N470-N472 VanDerWaalsContact O-N 3.17Å; N470-N472 WeakPolarHBondContact OD1-CB 3.46Å; N470-N472 PolarHBondContact OD1-N 3.34Å; N470-N473 PolarHBondContact O-N 2.92Å
471	R	78.9	Confident	80.3	Confident	90 Å²	90	66.7 Å²	66.7	34%	0.34	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.7	-178.6	69.8	-167	-176.1	158.5	-0.9	114.5	D227 T230 N473 F474	D227-R471 VanDerWaalsContact OD1-CB 3.23Å; D227-R471 WeakPolarHBondContact OD1-CB 3.13Å; D227-R471 WeakPolarHBondContact OD1-CD 3.35Å; D227-R471 WeakPolarHBondContact OD1-CG 3.35Å; D227-R471 PolarHBondContact OD1-N 3.37Å; T230-R471 HydrophobicContact CG2-CB 3.94Å; R471-N473 VanDerWaalsContact C-N 3.27Å; R471-N473 PolarHBondContact O-N 2.84Å; R471-F474 WeakPolarHBondContact O-CD2 3.42Å; R471-F474 VanDerWaalsContact O-CE2 3.29Å; R471-F474 WeakPolarHBondContact O-CE2 3.35Å
472	N	76.6	Confident	80.1	Confident	130 Å²	130	68.3 Å²	68.3	70%	0.695	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-18.4	-179.5	-70.8	14.2	0	0	0	112.4	N470	N470-N472 PolarHBondContact O-N 3.35Å; N470-N472 VanDerWaalsContact O-N 3.17Å; N470-N472 WeakPolarHBondContact OD1-CB 3.46Å; N470-N472 PolarHBondContact OD1-N 3.34Å
473	N	69.2	Low	80.1	Confident	116 Å²	116	66.9 Å²	66.9	62%	0.62	35%	0.354	S	S	*	.			trans	-127	74.4	-172.1	-133.4	-5.4	0	0	0	109.9	N470 R471 N475	N470-N473 PolarHBondContact O-N 2.92Å; R471-N473 VanDerWaalsContact C-N 3.27Å; R471-N473 PolarHBondContact O-N 2.84Å; N473-N475 PolarHBondContact O-N 2.72Å
474	F	62.8	Low	80	Confident	95 Å²	95	66.9 Å²	66.9	42%	0.417	35%	0.354	S	S	.	.			trans	-67.9	33	177.2	-89.6	-80.4	0	0	0	114.4	T230 Y234 R471 L476	T230-F474 HydrophobicContact CG2-CE1 4.46Å; T230-F474 HydrophobicContact CG2-CE2 3.84Å; T230-F474 HydrophobicContact CG2-CZ 3.41Å; T230-F474 VanDerWaalsContact CG2-CZ 3.41Å; Y234-F474 HydrophobicContact CD2-CE1 4.46Å; Y234-F474 HydrophobicContact CG-CE1 4.31Å; R471-F474 WeakPolarHBondContact O-CD2 3.42Å; R471-F474 VanDerWaalsContact O-CE2 3.29Å; R471-F474 WeakPolarHBondContact O-CE2 3.35Å; F474-L476 HydrophobicContact CD1-CD1 3.99Å; F474-L476 HydrophobicContact CE1-CD1 4.31Å; F474-L476 PolarHBondContact O-N 3.4Å
475	N	57.9	Low	79.7	Confident	126 Å²	126	71.9 Å²	71.9	67%	0.674	38%	0.375	S	S	*	.			trans	-66.2	80.8	150.9	-81.8	-12.4	0	0	0	107	N473 T477	N473-N475 PolarHBondContact O-N 2.72Å; N475-T477 PolarHBondContact O-N 2.85Å; N475-T477 PolarHBondContact O-OG1 3.33Å
476	L	61	Low	79.7	Confident	46 Å²	46	73.6 Å²	73.6	24%	0.241	38%	0.384	C	S	.	.			trans	-66.5	73.5	-167.5	-168.2	87	0	0	0	110.1	Y231 Y234 F474 N478 I481	Y231-L476 HydrophobicContact CE1-CD1 4.03Å; Y234-L476 HydrophobicContact CD1-CD1 3.97Å; Y234-L476 HydrophobicContact CD1-CD2 4.38Å; Y234-L476 HydrophobicContact CE1-CD1 3.83Å; Y234-L476 HydrophobicContact CE1-CD2 3.48Å; Y234-L476 VanDerWaalsContact CE1-CD2 3.48Å; Y234-L476 HydrophobicContact CE1-CG 4.32Å; F474-L476 HydrophobicContact CD1-CD1 3.99Å; F474-L476 HydrophobicContact CE1-CD1 4.31Å; F474-L476 PolarHBondContact O-N 3.4Å; L476-N478 PolarHBondContact O-N 3.31Å; L476-I481 HydrophobicContact CD2-CD1 3.48Å; L476-I481 VanDerWaalsContact CD2-CD1 3.48Å; L476-I481 HydrophobicContact CD2-CG1 4.09Å; L476-I481 HydrophobicContact CG-CD1 3.7Å; L476-I481 HydrophobicContact CG-CG1 3.87Å
477	T	70.9	Confident	80.2	Confident	74 Å²	74	68.8 Å²	68.8	45%	0.454	36%	0.362	S	S	.	.			trans	-68	126.6	-164.1	-59.3	0	0	0	0	108.1	N475 L479 C480 I481	N475-T477 PolarHBondContact O-N 2.85Å; N475-T477 PolarHBondContact O-OG1 3.33Å; T477-L479 HydrophobicContact CG2-CB 3.92Å; T477-L479 CarbonylContact O-C 3.58Å; T477-L479 PolarHBondContact O-N 3.49Å; T477-C480 WeakPolarHBondContact O-CA 3.44Å; T477-C480 WeakPolarHBondContact O-CB 3.3Å; T477-C480 PolarHBondContact O-N 2.81Å; T477-I481 PolarHBondContact O-N 3.49Å
478	N	80.1	Confident	80.7	Confident	118 Å²	118	64.6 Å²	64.6	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-50.7	-29.8	-177.7	-71.8	-26.7	0	0	0	112.9	L476 N482	L476-N478 PolarHBondContact O-N 3.31Å; N478-N482 WeakPolarHBondContact O-CB 3.25Å; N478-N482 PolarHBondContact O-N 3.3Å; N478-N482 PolarHBondContact O-ND2 2.96Å
479	L	87	Confident	81.1	Confident	97 Å²	97	65.7 Å²	65.7	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-57.2	-49.4	170.2	-175.9	65.4	0	0	0	113.6	Q462 T477 N483	Q462-L479 HydrophobicContact CG-CD2 4.32Å; Q462-L479 HydrophobicContact CG-CG 4.35Å; T477-L479 HydrophobicContact CG2-CB 3.92Å; T477-L479 CarbonylContact O-C 3.58Å; T477-L479 PolarHBondContact O-N 3.49Å; L479-N483 VanDerWaalsContact O-CB 3.3Å; L479-N483 WeakPolarHBondContact O-CB 3.14Å; L479-N483 PolarHBondContact O-N 3.38Å
480	C	87.3	Confident	81.6	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-64.1	-46.6	178.4	-60.3	0	0	0	0	110.7	Y231 F463 C469 T477 N482 N483 F484	Y231-C480 HydrophobicContact CE1-CB 3.8Å; F463-C480 HydrophobicContact CZ-CB 4.27Å; C469-C480 VanDerWaalsContact CA-SG 3.52Å; C469-C480 HydrophobicContact CB-CB 3.89Å; C469-C480 WeakPolarHBondContact CB-SG 3.42Å; C469-C480 WeakPolarHBondContact SG-CB 3.25Å; C469-C480 CovalentContact SG-SG 2.04Å; C469-C480 PolarHBondContact SG-SG 3.45Å; T477-C480 WeakPolarHBondContact O-CA 3.44Å; T477-C480 WeakPolarHBondContact O-CB 3.3Å; T477-C480 PolarHBondContact O-N 2.81Å; C480-N482 PolarHBondContact O-N 3.09Å; C480-N483 PolarHBondContact O-N 3.01Å; C480-F484 WeakPolarHBondContact O-CB 3.43Å; C480-F484 PolarHBondContact O-N 3.36Å
481	I	85.4	Confident	82.1	Confident	21 Å²	21	65.3 Å²	65.3	11%	0.108	34%	0.338	C	S	.	.	H	α-helix	trans	-61.4	-46.5	179.1	-45.8	171.4	0	0	0	110.9	I235 L476 T477 F484 K485	I235-I481 HydrophobicContact CD1-CG2 4.31Å; L476-I481 HydrophobicContact CD2-CD1 3.48Å; L476-I481 VanDerWaalsContact CD2-CD1 3.48Å; L476-I481 HydrophobicContact CD2-CG1 4.09Å; L476-I481 HydrophobicContact CG-CD1 3.7Å; L476-I481 HydrophobicContact CG-CG1 3.87Å; T477-I481 PolarHBondContact O-N 3.49Å; I481-F484 WeakPolarHBondContact O-CB 3.45Å; I481-F484 PolarHBondContact O-N 2.97Å; I481-K485 HydrophobicContact CG2-CD 4.26Å; I481-K485 WeakPolarHBondContact O-CG 3.4Å; I481-K485 PolarHBondContact O-N 3.43Å
482	N	86.5	Confident	82.7	Confident	82 Å²	82	64 Å²	64	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-71.1	-35.4	-176.7	-69.7	-11.9	0	0	0	111.9	N478 C480 K485 N486	N478-N482 WeakPolarHBondContact O-CB 3.25Å; N478-N482 PolarHBondContact O-N 3.3Å; N478-N482 PolarHBondContact O-ND2 2.96Å; C480-N482 PolarHBondContact O-N 3.09Å; N482-K485 PolarHBondContact O-N 3.35Å; N482-N486 VanDerWaalsContact O-CG 3.25Å; N482-N486 PolarHBondContact O-N 3.01Å; N482-N486 VanDerWaalsContact O-N 3.09Å
483	N	89.1	Confident	83.6	Confident	27 Å²	27	59.4 Å²	59.4	14%	0.144	31%	0.314	C	S	.	.	H	α-helix	trans	-61.7	-45.4	169.7	-168.3	-49.3	0	0	0	110.3	D459 L460 L479 C480 K485 N486 F487	D459-N483 PolarHBondContact O-OD1 3.48Å; L460-N483 WeakPolarHBondContact CD2-OD1 3.38Å; L479-N483 VanDerWaalsContact O-CB 3.3Å; L479-N483 WeakPolarHBondContact O-CB 3.14Å; L479-N483 PolarHBondContact O-N 3.38Å; C480-N483 PolarHBondContact O-N 3.01Å; N483-K485 PolarHBondContact O-N 3.07Å; N483-N486 PolarHBondContact O-N 3.5Å; N483-F487 PolarHBondContact O-N 3.32Å
484	F	89.4	Confident	84.8	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-41	176.7	-148	-98	0	0	0	113.5	I228 A232 I235 F236 A248 L460 F463 C480 I481 F487 I488	I228-F484 HydrophobicContact CB-CE2 4.39Å; I228-F484 HydrophobicContact CG1-CE2 4.22Å; I228-F484 HydrophobicContact CG2-CE2 3.92Å; I228-F484 HydrophobicContact CG2-CZ 4.2Å; A232-F484 HydrophobicContact CB-CE1 4.07Å; A232-F484 HydrophobicContact CB-CZ 3.88Å; I235-F484 HydrophobicContact CD1-CB 4.09Å; I235-F484 HydrophobicContact CD1-CD1 3.7Å; I235-F484 HydrophobicContact CD1-CE1 4.47Å; I235-F484 HydrophobicContact CD1-CG 4.05Å; F236-F484 HydrophobicContact CD2-CE1 4.33Å; F236-F484 AromaticContact CE2-CD1 3.94Å; F236-F484 HydrophobicContact CE2-CD1 3.94Å; F236-F484 AromaticContact CE2-CE1 3.86Å; F236-F484 HydrophobicContact CE2-CE1 3.86Å; A248-F484 HydrophobicContact CB-CE1 4.44Å; A248-F484 HydrophobicContact CB-CZ 4.44Å; L460-F484 HydrophobicContact CD1-CD2 4.48Å; L460-F484 HydrophobicContact CD1-CE2 4.21Å; L460-F484 HydrophobicContact CD2-CD2 3.86Å; L460-F484 HydrophobicContact CD2-CE2 4.39Å; F463-F484 HydrophobicContact CE1-CD2 4.49Å; F463-F484 HydrophobicContact CE2-CD2 4.1Å; F463-F484 AromaticContact CZ-CD2 3.77Å; F463-F484 HydrophobicContact CZ-CD2 3.77Å; F463-F484 HydrophobicContact CZ-CE2 4.49Å; C480-F484 WeakPolarHBondContact O-CB 3.43Å; C480-F484 PolarHBondContact O-N 3.36Å; I481-F484 WeakPolarHBondContact O-CB 3.45Å; I481-F484 PolarHBondContact O-N 2.97Å; F484-F487 HydrophobicContact CD1-CD1 4.36Å; F484-F487 HydrophobicContact CD2-CD1 4.12Å; F484-F487 HydrophobicContact CE1-CD1 4.23Å; F484-F487 HydrophobicContact CE1-CE1 4.23Å; F484-F487 AromaticContact CE2-CD1 3.98Å; F484-F487 HydrophobicContact CE2-CD1 3.98Å; F484-F487 HydrophobicContact CE2-CE1 4.05Å; F484-F487 HydrophobicContact CG-CD1 4.3Å; F484-F487 HydrophobicContact CZ-CD1 4.04Å; F484-F487 AromaticContact CZ-CE1 3.82Å; F484-F487 HydrophobicContact CZ-CE1 3.82Å; F484-F487 WeakPolarHBondContact O-CB 3.48Å; F484-F487 PolarHBondContact O-N 3.18Å; F484-I488 HydrophobicContact CD1-CG1 4.21Å; F484-I488 HydrophobicContact CE1-CD1 4.24Å; F484-I488 HydrophobicContact CE1-CG1 4.25Å; F484-I488 VanDerWaalsContact O-CG1 3.29Å; F484-I488 WeakPolarHBondContact O-CG1 3.27Å; F484-I488 PolarHBondContact O-N 2.88Å
485	K	86.9	Confident	86.2	Confident	111 Å²	111	55 Å²	55	48%	0.483	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-41.1	174.7	-74.4	171.7	176.2	174.3	0	112.5	I481 N482 N483 I488 S489	I481-K485 HydrophobicContact CG2-CD 4.26Å; I481-K485 WeakPolarHBondContact O-CG 3.4Å; I481-K485 PolarHBondContact O-N 3.43Å; N482-K485 PolarHBondContact O-N 3.35Å; N483-K485 PolarHBondContact O-N 3.07Å; K485-I488 PolarHBondContact O-N 2.91Å; K485-S489 PolarHBondContact O-N 2.9Å; K485-S489 VanDerWaalsContact O-N 3.15Å
486	N	90.9	Very high	87.9	Confident	98 Å²	98	51.6 Å²	51.6	52%	0.524	27%	0.272	S	S	.	.	H	α-helix	trans	-68.8	-35.1	176.4	-68.1	-10.3	0	0	0	112.4	N482 N483 S489 R490	N482-N486 VanDerWaalsContact O-CG 3.25Å; N482-N486 PolarHBondContact O-N 3.01Å; N482-N486 VanDerWaalsContact O-N 3.09Å; N483-N486 PolarHBondContact O-N 3.5Å; N486-S489 PolarHBondContact O-OG 3.41Å; N486-S489 VanDerWaalsContact O-OG 3.07Å; N486-R490 WeakPolarHBondContact O-CG 3.3Å; N486-R490 PolarHBondContact O-N 3.49Å
487	F	92.9	Very high	89.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-50	170.2	152.6	-114.9	0	0	0	111.3	A248 A251 T458 L460 N483 F484 S489 R490 I491	A248-F487 HydrophobicContact CB-CE1 4.32Å; A251-F487 HydrophobicContact CB-CE1 4.38Å; A251-F487 HydrophobicContact CB-CE2 3.69Å; A251-F487 HydrophobicContact CB-CZ 3.38Å; T458-F487 HydrophobicContact CG2-CD2 4.04Å; T458-F487 HydrophobicContact CG2-CE2 3.91Å; L460-F487 HydrophobicContact CD1-CD1 3.95Å; L460-F487 HydrophobicContact CD1-CD2 4.15Å; L460-F487 HydrophobicContact CD1-CE1 4.12Å; L460-F487 HydrophobicContact CD1-CE2 4.26Å; L460-F487 HydrophobicContact CD1-CG 3.97Å; L460-F487 HydrophobicContact CD1-CZ 4.28Å; L460-F487 HydrophobicContact CD2-CB 3.53Å; L460-F487 HydrophobicContact CD2-CD1 3.99Å; L460-F487 HydrophobicContact CD2-CG 3.76Å; L460-F487 HydrophobicContact CG-CB 4.08Å; L460-F487 HydrophobicContact CG-CD1 4.34Å; L460-F487 HydrophobicContact CG-CD2 4.22Å; L460-F487 HydrophobicContact CG-CG 3.96Å; N483-F487 PolarHBondContact O-N 3.32Å; F484-F487 HydrophobicContact CD1-CD1 4.36Å; F484-F487 HydrophobicContact CD2-CD1 4.12Å; F484-F487 HydrophobicContact CE1-CD1 4.23Å; F484-F487 HydrophobicContact CE1-CE1 4.23Å; F484-F487 AromaticContact CE2-CD1 3.98Å; F484-F487 HydrophobicContact CE2-CD1 3.98Å; F484-F487 HydrophobicContact CE2-CE1 4.05Å; F484-F487 HydrophobicContact CG-CD1 4.3Å; F484-F487 HydrophobicContact CZ-CD1 4.04Å; F484-F487 AromaticContact CZ-CE1 3.82Å; F484-F487 HydrophobicContact CZ-CE1 3.82Å; F484-F487 WeakPolarHBondContact O-CB 3.48Å; F484-F487 PolarHBondContact O-N 3.18Å; F487-S489 PolarHBondContact O-N 3.33Å; F487-R490 PolarHBondContact O-N 2.87Å; F487-I491 HydrophobicContact CD2-CD1 4.42Å; F487-I491 HydrophobicContact CD2-CG1 3.66Å; F487-I491 HydrophobicContact CE2-CB 4.5Å; F487-I491 HydrophobicContact CE2-CD1 3.99Å; F487-I491 HydrophobicContact CE2-CG1 3.28Å; F487-I491 HydrophobicContact CZ-CG1 4.02Å; F487-I491 WeakPolarHBondContact O-CG1 3.45Å; F487-I491 PolarHBondContact O-N 2.84Å
488	I	91.9	Very high	90.3	Very high	11 Å²	11	47.7 Å²	47.7	6%	0.056	25%	0.248	C	C	.	.	H	α-helix	trans	-64.2	-40.8	-177.5	-64.7	-73.7	0	0	0	112.2	F236 E244 A248 F484 K485 R490 I491 M492	F236-I488 HydrophobicContact CE2-CD1 3.88Å; F236-I488 HydrophobicContact CE2-CG1 3.64Å; F236-I488 HydrophobicContact CZ-CB 4.22Å; F236-I488 HydrophobicContact CZ-CD1 4.29Å; F236-I488 HydrophobicContact CZ-CG1 3.72Å; F236-I488 HydrophobicContact CZ-CG2 4.03Å; E244-I488 HydrophobicContact CB-CG2 4.23Å; E244-I488 HydrophobicContact CG-CG2 4.4Å; A248-I488 HydrophobicContact CB-CD1 3.53Å; F484-I488 HydrophobicContact CD1-CG1 4.21Å; F484-I488 HydrophobicContact CE1-CD1 4.24Å; F484-I488 HydrophobicContact CE1-CG1 4.25Å; F484-I488 VanDerWaalsContact O-CG1 3.29Å; F484-I488 WeakPolarHBondContact O-CG1 3.27Å; F484-I488 PolarHBondContact O-N 2.88Å; K485-I488 PolarHBondContact O-N 2.91Å; I488-R490 VanDerWaalsContact C-N 3.33Å; I488-R490 PolarHBondContact O-N 3.11Å; I488-I491 PolarHBondContact O-N 2.87Å; I488-M492 HydrophobicContact CG2-CG 4.11Å; I488-M492 WeakPolarHBondContact O-CB 3.25Å; I488-M492 VanDerWaalsContact O-CG 3.28Å; I488-M492 WeakPolarHBondContact O-CG 3.15Å; I488-M492 PolarHBondContact O-N 3.36Å
489	S	91.7	Very high	90.8	Very high	75 Å²	75	46.4 Å²	46.4	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-37.9	176.1	62.1	0	0	0	0	112.5	K485 N486 F487 C493	K485-S489 PolarHBondContact O-N 2.9Å; K485-S489 VanDerWaalsContact O-N 3.15Å; N486-S489 PolarHBondContact O-OG 3.41Å; N486-S489 VanDerWaalsContact O-OG 3.07Å; F487-S489 PolarHBondContact O-N 3.33Å; S489-C493 WeakPolarHBondContact O-CB 3.44Å; S489-C493 PolarHBondContact O-N 3.34Å; S489-C493 VanDerWaalsContact O-N 3.17Å
490	R	93.9	Very high	90.8	Very high	40 Å²	40	47.2 Å²	47.2	15%	0.151	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-42.7	172.4	-71.2	-174.2	-61.9	-150.8	-4.1	112.5	C457 T458 D459 N486 F487 I488 K494	C457-R490 HydrophobicContact CB-CB 4.38Å; C457-R490 WeakPolarHBondContact O-CB 3.38Å; C457-R490 PolarHBondContact O-NE 3.19Å; T458-R490 PolarHBondContact O-NH2 2.77Å; D459-R490 IonicContact OD2-CZ 3.3Å; D459-R490 IonicContact OD2-NH1 2.93Å; D459-R490 PolarHBondContact OD2-NH1 3.49Å; D459-R490 IonicContact OD2-NH2 3.59Å; D459-R490 PolarHBondContact OD2-NH2 3.37Å; N486-R490 WeakPolarHBondContact O-CG 3.3Å; N486-R490 PolarHBondContact O-N 3.49Å; F487-R490 PolarHBondContact O-N 2.87Å; I488-R490 VanDerWaalsContact C-N 3.33Å; I488-R490 PolarHBondContact O-N 3.11Å; R490-K494 WeakPolarHBondContact O-CB 3.42Å; R490-K494 PolarHBondContact O-N 3.41Å
491	I	93.7	Very high	90.7	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-72.2	-40.2	179.9	-63.5	-57.6	0	0	0	112.6	A247 A250 C457 F487 I488 C493 K494 R495	A247-I491 HydrophobicContact CB-CG2 4.19Å; A247-I491 WeakPolarHBondContact O-CG2 3.32Å; A250-I491 HydrophobicContact CB-CG2 4.41Å; C457-I491 HydrophobicContact CB-CD1 4.09Å; F487-I491 HydrophobicContact CD2-CD1 4.42Å; F487-I491 HydrophobicContact CD2-CG1 3.66Å; F487-I491 HydrophobicContact CE2-CB 4.5Å; F487-I491 HydrophobicContact CE2-CD1 3.99Å; F487-I491 HydrophobicContact CE2-CG1 3.28Å; F487-I491 HydrophobicContact CZ-CG1 4.02Å; F487-I491 WeakPolarHBondContact O-CG1 3.45Å; F487-I491 PolarHBondContact O-N 2.84Å; I488-I491 PolarHBondContact O-N 2.87Å; I491-C493 VanDerWaalsContact C-N 3.27Å; I491-C493 PolarHBondContact O-N 2.85Å; I491-K494 HydrophobicContact CD1-CD 4.17Å; I491-K494 PolarHBondContact O-N 2.94Å; I491-R495 WeakPolarHBondContact O-CB 3.24Å; I491-R495 PolarHBondContact O-N 3.21Å
492	M	92.6	Very high	90.3	Very high	63 Å²	63	53.1 Å²	53.1	31%	0.31	27%	0.271	S	S	.	.	H	α-helix	trans	-60.5	-39.9	174.8	-69.2	-67.1	-87.7	0	0	110.9	E244 A247 I488 R495 S496	E244-M492 HydrophobicContact CG-CE 4.47Å; A247-M492 HydrophobicContact CB-CG 4.29Å; A247-M492 HydrophobicContact CB-SD 3.45Å; A247-M492 WeakPolarHBondContact CB-SD 3.34Å; I488-M492 HydrophobicContact CG2-CG 4.11Å; I488-M492 WeakPolarHBondContact O-CB 3.25Å; I488-M492 VanDerWaalsContact O-CG 3.28Å; I488-M492 WeakPolarHBondContact O-CG 3.15Å; I488-M492 PolarHBondContact O-N 3.36Å; M492-R495 PolarHBondContact O-N 3.11Å; M492-S496 PolarHBondContact O-N 3.42Å; M492-S496 VanDerWaalsContact O-N 3.12Å
493	C	94.6	Very high	89.5	Confident	33 Å²	33	57.1 Å²	57.1	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-64.5	-50.1	171	-177.2	0	0	0	0	112.5	C439 S489 I491 R495 S496 V497	C439-C493 WeakPolarHBondContact CA-SG 3.45Å; C439-C493 HydrophobicContact CB-CB 3.79Å; C439-C493 WeakPolarHBondContact CB-SG 3.48Å; C439-C493 WeakPolarHBondContact SG-CB 3Å; C439-C493 CovalentContact SG-SG 2.04Å; C439-C493 PolarHBondContact SG-SG 2.85Å; S489-C493 WeakPolarHBondContact O-CB 3.44Å; S489-C493 PolarHBondContact O-N 3.34Å; S489-C493 VanDerWaalsContact O-N 3.17Å; I491-C493 VanDerWaalsContact C-N 3.27Å; I491-C493 PolarHBondContact O-N 2.85Å; C493-R495 PolarHBondContact O-N 2.86Å; C493-S496 PolarHBondContact O-N 2.98Å; C493-S496 VanDerWaalsContact O-N 3.17Å; C493-S496 PolarHBondContact O-OG 2.81Å; C493-V497 WeakPolarHBondContact O-CG2 3.36Å; C493-V497 PolarHBondContact O-N 3.02Å
494	K	94.6	Very high	88.5	Confident	14 Å²	14	59 Å²	59	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-51.9	-44.1	176.2	167.7	-177.8	165.3	-179	0	111.1	I435 C439 T443 E445 R490 I491 V497 I498	I435-K494 HydrophobicContact CD1-CG 4.28Å; I435-K494 HydrophobicContact CG2-CB 4.48Å; C439-K494 PolarHBondContact SG-N 3.16Å; T443-K494 HydrophobicContact CG2-CD 4.24Å; T443-K494 PolarHBondContact OG1-NZ 3.36Å; E445-K494 IonicContact OE1-NZ 3.58Å; E445-K494 PolarHBondContact OE1-NZ 3.17Å; E445-K494 WeakPolarHBondContact OE2-CE 3.45Å; E445-K494 IonicContact OE2-NZ 2.63Å; E445-K494 PolarHBondContact OE2-NZ 3.47Å; R490-K494 WeakPolarHBondContact O-CB 3.42Å; R490-K494 PolarHBondContact O-N 3.41Å; I491-K494 HydrophobicContact CD1-CD 4.17Å; I491-K494 PolarHBondContact O-N 2.94Å; K494-V497 PolarHBondContact O-N 2.74Å; K494-I498 HydrophobicContact CD-CD1 4.39Å; K494-I498 HydrophobicContact CG-CD1 3.73Å; K494-I498 WeakPolarHBondContact O-CG1 3.42Å; K494-I498 PolarHBondContact O-N 3.21Å
495	R	92.6	Very high	87.5	Confident	104 Å²	104	65 Å²	65	39%	0.392	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-51.6	178.5	179.6	175.2	171	-166.1	-12.2	111.6	I491 M492 C493 V497 I498 E499	I491-R495 WeakPolarHBondContact O-CB 3.24Å; I491-R495 PolarHBondContact O-N 3.21Å; M492-R495 PolarHBondContact O-N 3.11Å; C493-R495 PolarHBondContact O-N 2.86Å; R495-V497 VanDerWaalsContact C-N 3.26Å; R495-V497 PolarHBondContact O-N 3.39Å; R495-I498 PolarHBondContact O-N 2.96Å; R495-I498 VanDerWaalsContact O-N 3.08Å; R495-E499 HydrophobicContact CG-CG 4.41Å; R495-E499 IonicContact CZ-OE1 3.26Å; R495-E499 VanDerWaalsContact CZ-OE1 3.3Å; R495-E499 IonicContact NE-OE1 2.78Å; R495-E499 PolarHBondContact NE-OE1 3.2Å; R495-E499 IonicContact NH2-OE1 3.66Å; R495-E499 PolarHBondContact NH2-OE1 3.37Å; R495-E499 WeakPolarHBondContact O-CG 3.3Å; R495-E499 PolarHBondContact O-N 2.83Å
496	S	92.1	Very high	87.3	Confident	55 Å²	55	61.3 Å²	61.3	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-63.6	-31.3	179.1	64.8	0	0	0	0	112.8	M492 C493 N500	M492-S496 PolarHBondContact O-N 3.42Å; M492-S496 VanDerWaalsContact O-N 3.12Å; C493-S496 PolarHBondContact O-N 2.98Å; C493-S496 VanDerWaalsContact O-N 3.17Å; C493-S496 PolarHBondContact O-OG 2.81Å; S496-N500 PolarHBondContact O-ND2 2.78Å
497	V	92.6	Very high	86.5	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-44.1	171.9	-180	0	0	0	0	111.3	N434 I435 Q438 C493 K494 R495 N500 Y501	N434-V497 HydrophobicContact CB-CG1 4.14Å; I435-V497 HydrophobicContact CG1-CB 4.01Å; I435-V497 HydrophobicContact CG1-CG1 3.67Å; Q438-V497 HydrophobicContact CB-CG2 4.14Å; C493-V497 WeakPolarHBondContact O-CG2 3.36Å; C493-V497 PolarHBondContact O-N 3.02Å; K494-V497 PolarHBondContact O-N 2.74Å; R495-V497 VanDerWaalsContact C-N 3.26Å; R495-V497 PolarHBondContact O-N 3.39Å; V497-N500 PolarHBondContact O-N 2.04Å; V497-Y501 HydrophobicContact CG1-CD2 4.44Å; V497-Y501 HydrophobicContact CG1-CE2 4.04Å; V497-Y501 WeakPolarHBondContact O-CD2 3.46Å; V497-Y501 WeakPolarHBondContact O-CE2 3.48Å
498	I	91.1	Very high	86.1	Confident	37 Å²	37	68.2 Å²	68.2	19%	0.19	37%	0.368	C	S	.	.	H	α-helix	trans	-69.8	-36.3	-178.5	-68.4	168.2	0	0	0	111.9	I431 I435 Y446 K494 R495 N500 Y501 L502	I431-I498 HydrophobicContact CG2-CG1 4.17Å; I435-I498 HydrophobicContact CD1-CD1 4.31Å; I435-I498 HydrophobicContact CD1-CG1 4.19Å; Y446-I498 HydrophobicContact CE2-CD1 4.04Å; Y446-I498 HydrophobicContact CE2-CG1 4.27Å; K494-I498 HydrophobicContact CD-CD1 4.39Å; K494-I498 HydrophobicContact CG-CD1 3.73Å; K494-I498 WeakPolarHBondContact O-CG1 3.42Å; K494-I498 PolarHBondContact O-N 3.21Å; R495-I498 PolarHBondContact O-N 2.96Å; R495-I498 VanDerWaalsContact O-N 3.08Å; I498-N500 PolarHBondContact O-N 3.41Å; I498-Y501 CarbonylContact O-C 3.59Å; I498-Y501 PolarHBondContact O-N 3.38Å; I498-L502 PolarHBondContact O-N 2.63Å
499	E	89.5	Confident	86.1	Confident	92 Å²	92	68 Å²	68	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-31.5	176.8	-74.7	170.8	166.5	0	0	112.2	R495 Y501 L502	R495-E499 HydrophobicContact CG-CG 4.41Å; R495-E499 IonicContact CZ-OE1 3.26Å; R495-E499 VanDerWaalsContact CZ-OE1 3.3Å; R495-E499 IonicContact NE-OE1 2.78Å; R495-E499 PolarHBondContact NE-OE1 3.2Å; R495-E499 IonicContact NH2-OE1 3.66Å; R495-E499 PolarHBondContact NH2-OE1 3.37Å; R495-E499 WeakPolarHBondContact O-CG 3.3Å; R495-E499 PolarHBondContact O-N 2.83Å; E499-Y501 PolarHBondContact O-N 3.28Å; E499-L502 HydrophobicContact CG-CD1 4.38Å
500	N	87.6	Confident	86.1	Confident	113 Å²	113	68.5 Å²	68.5	60%	0.604	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-9.9	172.1	-70.1	-58.1	0	0	0	114.9	S496 V497 I498	S496-N500 PolarHBondContact O-ND2 2.78Å; V497-N500 PolarHBondContact O-N 2.04Å; I498-N500 PolarHBondContact O-N 3.41Å
501	Y	85.6	Confident	86	Confident	52 Å²	52	68.7 Å²	68.7	20%	0.204	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	10.3	-178	-60.5	-59.3	0	0	0	114.1	R427 I431 N434 V497 I498 E499 L506	R427-Y501 PolarHBondContact NH2-O 2.94Å; I431-Y501 HydrophobicContact CG1-CD2 3.81Å; I431-Y501 HydrophobicContact CG1-CG 3.9Å; I431-Y501 HydrophobicContact CG2-CD2 4.47Å; N434-Y501 HydrophobicContact CB-CE2 4.4Å; N434-Y501 PolarHBondContact ND2-OH 3.05Å; V497-Y501 HydrophobicContact CG1-CD2 4.44Å; V497-Y501 HydrophobicContact CG1-CE2 4.04Å; V497-Y501 WeakPolarHBondContact O-CD2 3.46Å; V497-Y501 WeakPolarHBondContact O-CE2 3.48Å; I498-Y501 CarbonylContact O-C 3.59Å; I498-Y501 PolarHBondContact O-N 3.38Å; E499-Y501 PolarHBondContact O-N 3.28Å; Y501-L506 HydrophobicContact CD1-CD2 3.74Å; Y501-L506 HydrophobicContact CD1-CG 4.5Å; Y501-L506 HydrophobicContact CE1-CD2 3.67Å
502	L	76	Confident	86	Confident	100 Å²	100	69.3 Å²	69.3	52%	0.524	37%	0.368	S	S	.	.	S	Bend	trans	-69.6	-37.5	178.4	-119.9	151.1	0	0	0	111.8	I498 E499	I498-L502 PolarHBondContact O-N 2.63Å; E499-L502 HydrophobicContact CG-CD1 4.38Å
503	H	71.2	Confident	86.1	Confident	165 Å²	165	67.4 Å²	67.4	76%	0.764	36%	0.361	S	S	*	.	S	Bend	trans	-133.3	155.7	-179.9	-54.5	-53.5	0	0	0	112
504	G	66.6	Low	86	Confident	68 Å²	68	69 Å²	69	70%	0.701	37%	0.372	S	S	*	.	S	Bend	trans	95.3	165.2	179.3	0	0	0	0	0	114.6
505	E	68.4	Low	86	Confident	126 Å²	126	71.3 Å²	71.3	59%	0.589	38%	0.382	S	S	*	.			trans	-88.4	138	177.2	-70.3	173.6	-154.9	0	0	110.7	R403 P507	R403-E505 WeakPolarHBondContact CD-OE1 3.43Å; R403-E505 IonicContact CZ-OE1 3.35Å; R403-E505 IonicContact NE-OE1 2.66Å; R403-E505 PolarHBondContact NE-OE1 3.1Å; R403-E505 IonicContact NH1-OE1 3.3Å; R403-E505 PolarHBondContact NH1-OE1 2.8Å; R403-E505 IonicContact NH2-OE1 3Å; E505-P507 VanDerWaalsContact O-CD 3.28Å; E505-P507 WeakPolarHBondContact O-CD 3.34Å
506	L	83.3	Confident	86	Confident	33 Å²	33	70.1 Å²	70.1	17%	0.173	38%	0.378	C	S	.	.			trans	-83.2	108.7	169.9	-81.4	171.8	0	0	0	108.8	R427 T430 Y501 N508 C509	R427-L506 HydrophobicContact CB-CD1 3.95Å; R427-L506 HydrophobicContact CG-CD1 3.73Å; T430-L506 HydrophobicContact CG2-CD1 4.38Å; T430-L506 HydrophobicContact CG2-CD2 4.27Å; Y501-L506 HydrophobicContact CD1-CD2 3.74Å; Y501-L506 HydrophobicContact CD1-CG 4.5Å; Y501-L506 HydrophobicContact CE1-CD2 3.67Å; L506-N508 PolarHBondContact O-N 2.9Å; L506-C509 HydrophobicContact CB-CB 3.87Å; L506-C509 HydrophobicContact CD1-CB 4.46Å; L506-C509 CarbonylContact O-C 3.42Å; L506-C509 PolarHBondContact O-N 2.88Å
507	P	74.2	Confident	86.1	Confident	99 Å²	99	69.1 Å²	69.1	64%	0.643	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.8	-173.1	24.8	-35.1	0	0	0	113.6	E505 K510	E505-P507 VanDerWaalsContact O-CD 3.28Å; E505-P507 WeakPolarHBondContact O-CD 3.34Å; P507-K510 VanDerWaalsContact O-CE 3.32Å; P507-K510 WeakPolarHBondContact O-CE 3.36Å
508	N	85.3	Confident	86.2	Confident	143 Å²	143	70.6 Å²	70.6	77%	0.765	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.9	177	-62.2	-4.5	0	0	0	113.4	L506	L506-N508 PolarHBondContact O-N 2.9Å
509	C	91.4	Very high	86.4	Confident	6 Å²	6	73.5 Å²	73.5	4%	0.041	39%	0.39	C	S	.	.			trans	-112	80.6	-176.9	-65.5	0	0	0	0	110	C426 T430 L506	C426-C509 HydrophobicContact CB-CB 3.65Å; C426-C509 WeakPolarHBondContact CB-SG 3.37Å; C426-C509 PolarHBondContact O-SG 2.84Å; C426-C509 WeakPolarHBondContact SG-CA 3.39Å; C426-C509 WeakPolarHBondContact SG-CB 3.46Å; C426-C509 CovalentContact SG-SG 2.04Å; C426-C509 PolarHBondContact SG-SG 2.87Å; T430-C509 PolarHBondContact OG1-SG 2.98Å; L506-C509 HydrophobicContact CB-CB 3.87Å; L506-C509 HydrophobicContact CD1-CB 4.46Å; L506-C509 CarbonylContact O-C 3.42Å; L506-C509 PolarHBondContact O-N 2.88Å
510	K	91.2	Very high	86.6	Confident	87 Å²	87	71 Å²	71	38%	0.378	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-94.7	143.2	175.2	-60	-172.7	178.6	-172.8	0	110.3	Y421 P507	Y421-K510 VanDerWaalsContact CE1-O 3.25Å; Y421-K510 WeakPolarHBondContact CE1-O 3.42Å; Y421-K510 PolarHBondContact OH-N 3.35Å; Y421-K510 PolarHBondContact OH-O 3.21Å; P507-K510 VanDerWaalsContact O-CE 3.32Å; P507-K510 WeakPolarHBondContact O-CE 3.36Å
511	M	91.8	Very high	87	Confident	44 Å²	44	71.3 Å²	71.3	22%	0.217	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-74.3	151.5	175.9	69.8	171.2	69.1	0	0	112.1	Q396 C404 S405 E423 F515	Q396-M511 PolarHBondContact NE2-SD 3.33Å; Q396-M511 VanDerWaalsContact NE2-SD 3.43Å; Q396-M511 PolarHBondContact OE1-SD 2.85Å; C404-M511 CarbonylContact C-O 3.51Å; C404-M511 VanDerWaalsContact CA-O 3.28Å; C404-M511 WeakPolarHBondContact CA-O 3.33Å; C404-M511 HydrophobicContact CB-CG 4.34Å; C404-M511 WeakPolarHBondContact CB-O 3.31Å; S405-M511 PolarHBondContact N-O 2.8Å; E423-M511 HydrophobicContact CB-CB 4.12Å; E423-M511 WeakPolarHBondContact OE2-CE 3.28Å; M511-F515 HydrophobicContact SD-CE1 3.75Å; M511-F515 HydrophobicContact SD-CZ 4.1Å
512	P	94	Very high	87.4	Confident	20 Å²	20	73 Å²	73	13%	0.13	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-63.2	148.2	172.6	27.9	-36.3	0	0	0	111.3	S514 F515	P512-S514 VanDerWaalsContact C-N 3.27Å; P512-S514 PolarHBondContact O-N 3.14Å; P512-F515 HydrophobicContact CG-CB 4.18Å; P512-F515 HydrophobicContact CG-CD1 4.15Å; P512-F515 WeakPolarHBondContact O-CD1 3.36Å
513	C	94.6	Very high	88.4	Confident	23 Å²	23	70.4 Å²	70.4	16%	0.155	38%	0.38	C	S	.	.	S	Bend	trans	-74.8	-10.2	-179.2	-62.2	0	0	0	0	115.1	I395 Q396 M398 C404 S405	I395-C513 WeakPolarHBondContact CA-O 3.36Å; Q396-C513 PolarHBondContact N-O 3.33Å; M398-C513 VanDerWaalsContact CG-SG 3.6Å; C404-C513 HydrophobicContact CB-CB 3.83Å; C404-C513 WeakPolarHBondContact CB-SG 3.38Å; C404-C513 WeakPolarHBondContact SG-CA 3.25Å; C404-C513 WeakPolarHBondContact SG-CB 3.46Å; C404-C513 CovalentContact SG-SG 2.04Å; C404-C513 PolarHBondContact SG-SG 2.82Å; S405-C513 PolarHBondContact N-SG 3.16Å
514	S	93	Very high	89.6	Confident	66 Å²	66	67.1 Å²	67.1	46%	0.462	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.2	169	178	0	0	0	0	109.8	N394 P512	N394-S514 VanDerWaalsContact O-CA 3.3Å; N394-S514 WeakPolarHBondContact O-CA 3.28Å; P512-S514 VanDerWaalsContact C-N 3.27Å; P512-S514 PolarHBondContact O-N 3.14Å
515	F	93.5	Very high	91	Very high	63 Å²	63	66.9 Å²	66.9	28%	0.276	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	149.7	176.5	61.3	-87.8	0	0	0	112.9	N394 M511 P512	N394-F515 HydrophobicContact CB-CD1 4.33Å; N394-F515 HydrophobicContact CB-CD2 4.15Å; N394-F515 HydrophobicContact CB-CE1 3.98Å; N394-F515 HydrophobicContact CB-CE2 3.77Å; N394-F515 HydrophobicContact CB-CG 4.42Å; N394-F515 HydrophobicContact CB-CZ 3.68Å; N394-F515 PolarHBondContact N-O 2.78Å; N394-F515 WeakPolarHBondContact ND2-CE2 3.39Å; N394-F515 PolarHBondContact ND2-O 3.18Å; N394-F515 PolarHBondContact O-N 3.43Å; M511-F515 HydrophobicContact SD-CE1 3.75Å; M511-F515 HydrophobicContact SD-CZ 4.1Å; P512-F515 HydrophobicContact CG-CB 4.18Å; P512-F515 HydrophobicContact CG-CD1 4.15Å; P512-F515 WeakPolarHBondContact O-CD1 3.36Å
516	Y	93.9	Very high	92.3	Very high	79 Å²	79	67.2 Å²	67.2	31%	0.31	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	133.7	171.8	-66.7	-79.4	0	0	0	111.6	P193 I391 I392 E393 V597	P193-Y516 HydrophobicContact CG-CD2 3.58Å; P193-Y516 HydrophobicContact CG-CE2 3.83Å; P193-Y516 HydrophobicContact CG-CG 4.06Å; I391-Y516 HydrophobicContact CG2-CD1 3.82Å; I391-Y516 HydrophobicContact CG2-CE1 4.46Å; I392-Y516 CarbonylContact O-C 3.2Å; I392-Y516 VanDerWaalsContact O-CA 3.25Å; I392-Y516 WeakPolarHBondContact O-CA 3.47Å; E393-Y516 HydrophobicContact CB-CD1 4.18Å; E393-Y516 HydrophobicContact CB-CE1 3.87Å; E393-Y516 HydrophobicContact CG-CE1 4.12Å; Y516-V597 HydrophobicContact CE1-CG1 4.39Å
517	S	94.3	Very high	92.8	Very high	34 Å²	34	67.2 Å²	67.2	24%	0.238	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	161.9	164.7	64	0	0	0	0	110.5	I392 N394	I392-S517 PolarHBondContact N-O 2.97Å; I392-S517 PolarHBondContact O-N 2.71Å; N394-S517 PolarHBondContact ND2-N 2.8Å; N394-S517 PolarHBondContact ND2-OG 3.1Å
518	Y	94.7	Very high	93.7	Very high	33 Å²	33	62.9 Å²	62.9	13%	0.129	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	119.7	-171.5	-55.8	-90.5	0	0	0	108.5	P193 P195 I363 I391	P193-Y518 WeakPolarHBondContact O-CE1 3.37Å; P193-Y518 PolarHBondContact O-OH 2.86Å; P195-Y518 HydrophobicContact CB-CD1 3.83Å; P195-Y518 HydrophobicContact CB-CD2 3.97Å; P195-Y518 HydrophobicContact CB-CE1 3.77Å; P195-Y518 HydrophobicContact CB-CE2 3.94Å; P195-Y518 HydrophobicContact CB-CG 3.93Å; P195-Y518 HydrophobicContact CG-CD1 3.77Å; P195-Y518 HydrophobicContact CG-CE1 3.92Å; P195-Y518 HydrophobicContact CG-CG 4.18Å; I363-Y518 HydrophobicContact CG2-CG 4.34Å; I391-Y518 HydrophobicContact CD1-CE1 4.17Å; I391-Y518 HydrophobicContact CG1-CD1 3.97Å; I391-Y518 HydrophobicContact CG1-CE1 3.98Å; I391-Y518 HydrophobicContact CG2-CD1 4.49Å; I391-Y518 HydrophobicContact CG2-CE1 4.1Å
519	E	94.3	Very high	94.1	Very high	98 Å²	98	60 Å²	60	46%	0.458	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.1	165.4	-67.6	175.5	166.4	0	0	108.3	L389 S390 I392 R598	L389-E519 WeakPolarHBondContact CA-O 3.4Å; S390-E519 PolarHBondContact N-O 2.98Å; S390-E519 PolarHBondContact O-N 3.32Å; I392-E519 VanDerWaalsContact CD1-CD 3.4Å; I392-E519 HydrophobicContact CD1-CG 3.9Å; I392-E519 WeakPolarHBondContact CD1-OE1 3.16Å; E519-R598 IonicContact OE2-NH1 2.7Å; E519-R598 PolarHBondContact OE2-NH1 3.44Å
520	S	93.8	Very high	94	Very high	40 Å²	40	62.3 Å²	62.3	28%	0.28	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	121.6	178.4	61	0	0	0	0	112.2	I377 R388	I377-S520 VanDerWaalsContact CD1-OG 3.25Å; I377-S520 WeakPolarHBondContact CD1-OG 3.44Å; R388-S520 VanDerWaalsContact O-CA 3.3Å; R388-S520 WeakPolarHBondContact O-CA 3.28Å
521	E	95.6	Very high	94	Very high	119 Å²	119	62 Å²	62	56%	0.556	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.1	169.2	-65.1	168.1	-166	0	0	109.2	L387 R388	L387-E521 WeakPolarHBondContact CA-O 3.46Å; R388-E521 HydrophobicContact CB-CB 4.36Å; R388-E521 PolarHBondContact N-O 2.87Å; R388-E521 PolarHBondContact O-N 2.84Å
522	Q	94.9	Very high	93.9	Very high	87 Å²	87	63 Å²	63	41%	0.407	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.3	-175.4	-173.8	177.7	23	0	0	111.6	T385 L387 I524	T385-Q522 HydrophobicContact CG2-CG 3.74Å; L387-Q522 HydrophobicContact CD2-CB 3.91Å; L387-Q522 HydrophobicContact CD2-CG 3.81Å; Q522-I524 HydrophobicContact CG-CD1 4.35Å; Q522-I524 HydrophobicContact CG-CG1 4.01Å
523	S	96.2	Very high	93.8	Very high	45 Å²	45	62.1 Å²	62.1	32%	0.315	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	166.6	35.5	0	0	0	0	109.8	T385 E386	T385-S523 CarbonylContact C-O 3.44Å; T385-S523 WeakPolarHBondContact CA-O 3.36Å; E386-S523 WeakPolarHBondContact CB-OG 3.49Å; E386-S523 PolarHBondContact N-O 2.85Å; E386-S523 PolarHBondContact O-N 3.48Å; E386-S523 PolarHBondContact OE2-OG 2.94Å
524	I	96.4	Very high	93.4	Very high	96 Å²	96	62.2 Å²	62.2	49%	0.492	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.9	-175	-51.2	-179.9	0	0	0	109.4	T383 L384 T385 Q522	T383-I524 HydrophobicContact CG2-CG2 3.64Å; L384-I524 WeakPolarHBondContact O-CA 3.41Å; T385-I524 HydrophobicContact CG2-CG1 4.39Å; Q522-I524 HydrophobicContact CG-CD1 4.35Å; Q522-I524 HydrophobicContact CG-CG1 4.01Å
525	S	96.2	Very high	93.2	Very high	64 Å²	64	63.9 Å²	63.9	45%	0.448	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	161.3	173.9	62.1	0	0	0	0	111.6	T383 L384	T383-S525 CarbonylContact C-O 3.58Å; T383-S525 WeakPolarHBondContact CA-O 3.5Å; T383-S525 WeakPolarHBondContact CB-O 3.05Å; L384-S525 PolarHBondContact N-O 3.23Å; L384-S525 PolarHBondContact O-N 3.32Å
526	T	94.9	Very high	92.8	Very high	133 Å²	133	62.3 Å²	62.3	82%	0.816	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.8	179.4	42.5	0	0	0	0	111.6
527	W	94.5	Very high	92.3	Very high	33 Å²	33	59.3 Å²	59.3	13%	0.125	33%	0.325	C	S	.	.			trans	-161	145	-178.3	175.5	94.9	0	0	0	110.7	Y332 G382 T383 L384 W532 L585 A587	Y332-W527 HydrophobicContact CD1-CH2 4.11Å; Y332-W527 HydrophobicContact CD1-CZ2 4.1Å; Y332-W527 HydrophobicContact CD2-CH2 4.39Å; Y332-W527 HydrophobicContact CD2-CZ2 4.35Å; Y332-W527 HydrophobicContact CE1-CZ2 4.11Å; Y332-W527 HydrophobicContact CE2-CZ2 4.33Å; Y332-W527 HydrophobicContact CG-CH2 4.07Å; Y332-W527 HydrophobicContact CG-CZ2 4.29Å; G382-W527 CarbonylContact C-O 3.55Å; G382-W527 WeakPolarHBondContact CA-O 3.39Å; G382-W527 PolarHBondContact O-N 3.34Å; G382-W527 VanDerWaalsContact O-N 3.16Å; T383-W527 PolarHBondContact N-O 3.13Å; L384-W527 HydrophobicContact CB-CB 3.86Å; L384-W527 HydrophobicContact CB-CG 4.21Å; W527-W532 AromaticContact CH2-CH2 3.89Å; W527-W532 HydrophobicContact CH2-CH2 3.89Å; W527-W532 HydrophobicContact CH2-CZ2 4.47Å; W527-W532 HydrophobicContact CH2-CZ3 4.37Å; W527-W532 AromaticContact CZ2-CH2 3.39Å; W527-W532 HydrophobicContact CZ2-CH2 3.39Å; W527-W532 AromaticContact CZ2-CZ2 3.58Å; W527-W532 HydrophobicContact CZ2-CZ2 3.58Å; W527-W532 AromaticContact CZ2-CZ3 3.97Å; W527-W532 HydrophobicContact CZ2-CZ3 3.97Å; W527-L585 HydrophobicContact CH2-CB 4.28Å; W527-L585 HydrophobicContact CH2-CD1 4.44Å; W527-L585 HydrophobicContact CZ3-CB 3.76Å; W527-A587 HydrophobicContact CD2-CB 3.8Å; W527-A587 HydrophobicContact CE3-CB 3.6Å; W527-A587 HydrophobicContact CH2-CB 3.81Å; W527-A587 HydrophobicContact CZ2-CB 3.97Å; W527-A587 HydrophobicContact CZ3-CB 3.61Å
528	P	93.9	Very high	91.7	Very high	8 Å²	8	62 Å²	62	5%	0.052	34%	0.337	C	S	.	.			cis	-91.1	157.6	-0.8	32.9	-33.3	0	0	0	114.2	W532 Q533 L585	P528-W532 HydrophobicContact CB-CB 4.49Å; P528-W532 HydrophobicContact CB-CD2 3.87Å; P528-W532 HydrophobicContact CB-CE3 3.24Å; P528-W532 HydrophobicContact CB-CG 4.42Å; P528-W532 HydrophobicContact CB-CZ3 3.67Å; P528-W532 HydrophobicContact CG-CE3 3.88Å; P528-W532 HydrophobicContact CG-CZ3 3.93Å; P528-Q533 HydrophobicContact CB-CG 4.06Å; P528-Q533 HydrophobicContact CG-CG 3.56Å; P528-Q533 PolarHBondContact O-NE2 3.05Å; P528-L585 HydrophobicContact CG-CD1 4.22Å
529	T	92.6	Very high	91.2	Very high	83 Å²	83	62.5 Å²	62.5	51%	0.509	35%	0.345	S	S	.	.			trans	-70.3	152.1	171.8	61.8	0	0	0	0	111.9	S531 W532 Q533	T529-S531 VanDerWaalsContact C-N 3.26Å; T529-S531 PolarHBondContact O-N 2.8Å; T529-S531 PolarHBondContact OG1-OG 2.85Å; T529-W532 WeakPolarHBondContact O-CB 3.39Å; T529-W532 PolarHBondContact O-N 3.08Å; T529-W532 WeakPolarHBondContact OG1-CB 3.48Å; T529-W532 PolarHBondContact OG1-N 3.18Å; T529-Q533 WeakPolarHBondContact O-CG 3.32Å; T529-Q533 PolarHBondContact O-N 3.26Å
530	K	90.3	Very high	90.3	Very high	53 Å²	53	62.8 Å²	62.8	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-55.6	-38.2	179.7	-55.8	-61.9	-173.8	-176	0	113	Q533 L534 L575 I578 E582	K530-Q533 WeakPolarHBondContact O-CB 3.48Å; K530-Q533 PolarHBondContact O-N 3.06Å; K530-L534 WeakPolarHBondContact O-CG 3.41Å; K530-L534 PolarHBondContact O-N 2.81Å; K530-L534 VanDerWaalsContact O-N 3.13Å; K530-L575 HydrophobicContact CD-CB 4.3Å; K530-L575 WeakPolarHBondContact CE-O 3.15Å; K530-L575 HydrophobicContact CG-CB 4.46Å; K530-L575 PolarHBondContact NZ-O 3.23Å; K530-I578 PolarHBondContact NZ-O 3.04Å; K530-E582 WeakPolarHBondContact CE-OE1 3.48Å; K530-E582 IonicContact NZ-OE1 3.37Å; K530-E582 PolarHBondContact NZ-OE1 3.16Å
531	S	89.5	Confident	89.3	Confident	81 Å²	81	68 Å²	68	57%	0.566	37%	0.373	S	S	*	.	H	α-helix	trans	-66.6	-39.9	176.3	51.5	0	0	0	0	112.9	T529 T535	T529-S531 VanDerWaalsContact C-N 3.26Å; T529-S531 PolarHBondContact O-N 2.8Å; T529-S531 PolarHBondContact OG1-OG 2.85Å; S531-T535 PolarHBondContact O-N 3.31Å; S531-T535 PolarHBondContact O-OG1 2.78Å
532	W	91.7	Very high	88.1	Confident	66 Å²	66	62.7 Å²	62.7	25%	0.25	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-43.3	172.2	-174.6	99.6	0	0	0	111.3	Y332 W527 P528 T529 L534 T535 W536 L585	Y332-W532 HydrophobicContact CD2-CH2 4.46Å; Y332-W532 HydrophobicContact CD2-CZ2 4.39Å; Y332-W532 HydrophobicContact CE2-CH2 4.3Å; Y332-W532 AromaticContact CE2-CZ2 3.79Å; Y332-W532 HydrophobicContact CE2-CZ2 3.79Å; W527-W532 AromaticContact CH2-CH2 3.89Å; W527-W532 HydrophobicContact CH2-CH2 3.89Å; W527-W532 HydrophobicContact CH2-CZ2 4.47Å; W527-W532 HydrophobicContact CH2-CZ3 4.37Å; W527-W532 AromaticContact CZ2-CH2 3.39Å; W527-W532 HydrophobicContact CZ2-CH2 3.39Å; W527-W532 AromaticContact CZ2-CZ2 3.58Å; W527-W532 HydrophobicContact CZ2-CZ2 3.58Å; W527-W532 AromaticContact CZ2-CZ3 3.97Å; W527-W532 HydrophobicContact CZ2-CZ3 3.97Å; P528-W532 HydrophobicContact CB-CB 4.49Å; P528-W532 HydrophobicContact CB-CD2 3.87Å; P528-W532 HydrophobicContact CB-CE3 3.24Å; P528-W532 HydrophobicContact CB-CG 4.42Å; P528-W532 HydrophobicContact CB-CZ3 3.67Å; P528-W532 HydrophobicContact CG-CE3 3.88Å; P528-W532 HydrophobicContact CG-CZ3 3.93Å; T529-W532 WeakPolarHBondContact O-CB 3.39Å; T529-W532 PolarHBondContact O-N 3.08Å; T529-W532 WeakPolarHBondContact OG1-CB 3.48Å; T529-W532 PolarHBondContact OG1-N 3.18Å; W532-L534 PolarHBondContact O-N 2.87Å; W532-T535 PolarHBondContact O-N 3.24Å; W532-W536 HydrophobicContact CD2-CB 4.12Å; W532-W536 HydrophobicContact CE3-CB 3.73Å; W532-W536 HydrophobicContact CE3-CG 4.01Å; W532-W536 HydrophobicContact CH2-CB 4Å; W532-W536 AromaticContact CH2-CD1 3.2Å; W532-W536 AromaticContact CH2-CD2 3.69Å; W532-W536 HydrophobicContact CH2-CD2 3.69Å; W532-W536 AromaticContact CH2-CE2 3.73Å; W532-W536 AromaticContact CH2-CG 3.38Å; W532-W536 HydrophobicContact CH2-CG 3.38Å; W532-W536 AromaticContact CH2-NE1 3.41Å; W532-W536 HydrophobicContact CZ2-CB 4.32Å; W532-W536 AromaticContact CZ2-CD1 3.45Å; W532-W536 VanDerWaalsContact CZ2-CD1 3.45Å; W532-W536 AromaticContact CZ2-CG 3.92Å; W532-W536 HydrophobicContact CZ2-CG 3.92Å; W532-W536 AromaticContact CZ2-NE1 3.93Å; W532-W536 HydrophobicContact CZ3-CB 3.68Å; W532-W536 AromaticContact CZ3-CD1 3.78Å; W532-W536 AromaticContact CZ3-CD2 3.62Å; W532-W536 HydrophobicContact CZ3-CD2 3.62Å; W532-W536 HydrophobicContact CZ3-CE3 4.14Å; W532-W536 AromaticContact CZ3-CG 3.42Å; W532-W536 HydrophobicContact CZ3-CG 3.42Å; W532-W536 VanDerWaalsContact CZ3-CG 3.42Å; W532-W536 WeakPolarHBondContact O-CB 3.46Å; W532-W536 PolarHBondContact O-N 2.75Å; W532-L585 HydrophobicContact CZ3-CD1 4.13Å
533	Q	90.4	Very high	86.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-55.1	-50.7	178.4	-70.8	172.2	36.7	0	0	111.9	P528 T529 K530 T535 W536 L537 Y556 L581 E582	P528-Q533 HydrophobicContact CB-CG 4.06Å; P528-Q533 HydrophobicContact CG-CG 3.56Å; P528-Q533 PolarHBondContact O-NE2 3.05Å; T529-Q533 WeakPolarHBondContact O-CG 3.32Å; T529-Q533 PolarHBondContact O-N 3.26Å; K530-Q533 WeakPolarHBondContact O-CB 3.48Å; K530-Q533 PolarHBondContact O-N 3.06Å; Q533-T535 VanDerWaalsContact C-N 3.34Å; Q533-T535 PolarHBondContact O-N 3.35Å; Q533-W536 PolarHBondContact O-N 3.13Å; Q533-L537 WeakPolarHBondContact O-CB 3.3Å; Q533-L537 VanDerWaalsContact O-CG 3.31Å; Q533-L537 WeakPolarHBondContact O-CG 3.47Å; Q533-L537 PolarHBondContact O-N 2.88Å; Q533-Y556 HydrophobicContact CB-CE1 4.43Å; Q533-Y556 PolarHBondContact OE1-OH 2.94Å; Q533-L581 HydrophobicContact CB-CD1 3.65Å; Q533-L581 HydrophobicContact CG-CB 4.18Å; Q533-L581 HydrophobicContact CG-CD1 3.7Å; Q533-E582 PolarHBondContact NE2-OE1 3.2Å
534	L	87.5	Confident	85.5	Confident	26 Å²	26	71 Å²	71	14%	0.136	38%	0.377	C	S	.	.	H	α-helix	trans	-60.1	-42.6	177.7	-66.4	166.8	0	0	0	112.3	K530 W532 N538 Q560 L563 L575	K530-L534 WeakPolarHBondContact O-CG 3.41Å; K530-L534 PolarHBondContact O-N 2.81Å; K530-L534 VanDerWaalsContact O-N 3.13Å; W532-L534 PolarHBondContact O-N 2.87Å; L534-N538 PolarHBondContact O-N 2.97Å; L534-Q560 HydrophobicContact CD2-CG 3.56Å; L534-Q560 PolarHBondContact O-NE2 2.85Å; L534-Q560 VanDerWaalsContact O-NE2 3.17Å; L534-L563 HydrophobicContact CD1-CD1 3.6Å; L534-L575 HydrophobicContact CD1-CD1 3.94Å; L534-L575 HydrophobicContact CD2-CD2 4.18Å
535	T	87.5	Confident	84.1	Confident	101 Å²	101	69.1 Å²	69.1	62%	0.62	37%	0.368	S	S	*	.	H	α-helix	trans	-66	-44.3	179.1	-55.4	0	0	0	0	111.1	S531 W532 Q533 N538 S539	S531-T535 PolarHBondContact O-N 3.31Å; S531-T535 PolarHBondContact O-OG1 2.78Å; W532-T535 PolarHBondContact O-N 3.24Å; Q533-T535 VanDerWaalsContact C-N 3.34Å; Q533-T535 PolarHBondContact O-N 3.35Å; T535-N538 PolarHBondContact O-N 3.44Å; T535-S539 PolarHBondContact O-N 3.36Å
536	W	85.8	Confident	82.6	Confident	29 Å²	29	67.8 Å²	67.8	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-66.5	-45.7	-178.8	-175.7	80.5	0	0	0	111.4	I279 W532 Q533 N538 S539 N542 F548 L581 L585	I279-W536 HydrophobicContact CD1-CH2 4.13Å; I279-W536 HydrophobicContact CD1-CZ2 3.62Å; W532-W536 HydrophobicContact CD2-CB 4.12Å; W532-W536 HydrophobicContact CE3-CB 3.73Å; W532-W536 HydrophobicContact CE3-CG 4.01Å; W532-W536 HydrophobicContact CH2-CB 4Å; W532-W536 AromaticContact CH2-CD1 3.2Å; W532-W536 AromaticContact CH2-CD2 3.69Å; W532-W536 HydrophobicContact CH2-CD2 3.69Å; W532-W536 AromaticContact CH2-CE2 3.73Å; W532-W536 AromaticContact CH2-CG 3.38Å; W532-W536 HydrophobicContact CH2-CG 3.38Å; W532-W536 AromaticContact CH2-NE1 3.41Å; W532-W536 HydrophobicContact CZ2-CB 4.32Å; W532-W536 AromaticContact CZ2-CD1 3.45Å; W532-W536 VanDerWaalsContact CZ2-CD1 3.45Å; W532-W536 AromaticContact CZ2-CG 3.92Å; W532-W536 HydrophobicContact CZ2-CG 3.92Å; W532-W536 AromaticContact CZ2-NE1 3.93Å; W532-W536 HydrophobicContact CZ3-CB 3.68Å; W532-W536 AromaticContact CZ3-CD1 3.78Å; W532-W536 AromaticContact CZ3-CD2 3.62Å; W532-W536 HydrophobicContact CZ3-CD2 3.62Å; W532-W536 HydrophobicContact CZ3-CE3 4.14Å; W532-W536 AromaticContact CZ3-CG 3.42Å; W532-W536 HydrophobicContact CZ3-CG 3.42Å; W532-W536 VanDerWaalsContact CZ3-CG 3.42Å; W532-W536 WeakPolarHBondContact O-CB 3.46Å; W532-W536 PolarHBondContact O-N 2.75Å; Q533-W536 PolarHBondContact O-N 3.13Å; W536-N538 VanDerWaalsContact C-N 3.27Å; W536-N538 PolarHBondContact O-N 3.28Å; W536-S539 WeakPolarHBondContact O-CB 3.37Å; W536-S539 PolarHBondContact O-N 2.59Å; W536-S539 VanDerWaalsContact O-N 3.17Å; W536-S539 PolarHBondContact O-OG 3.38Å; W536-N542 PolarHBondContact NE1-ND2 2.99Å; W536-N542 PolarHBondContact O-ND2 3.31Å; W536-F548 HydrophobicContact CE3-CZ 4.48Å; W536-F548 AromaticContact CH2-CE1 3.89Å; W536-F548 HydrophobicContact CH2-CE1 3.89Å; W536-F548 AromaticContact CH2-CZ 3.48Å; W536-F548 HydrophobicContact CH2-CZ 3.48Å; W536-F548 VanDerWaalsContact CH2-CZ 3.48Å; W536-F548 HydrophobicContact CZ2-CZ 4.43Å; W536-F548 AromaticContact CZ3-CE1 3.54Å; W536-F548 HydrophobicContact CZ3-CE1 3.54Å; W536-F548 AromaticContact CZ3-CZ 3.51Å; W536-F548 HydrophobicContact CZ3-CZ 3.51Å; W536-L581 HydrophobicContact CE3-CD2 4.41Å; W536-L581 HydrophobicContact CZ3-CD2 3.74Å; W536-L585 HydrophobicContact CE3-CD1 4.34Å; W536-L585 HydrophobicContact CH2-CD1 3.93Å; W536-L585 HydrophobicContact CH2-CD2 3.85Å; W536-L585 HydrophobicContact CH2-CG 4.45Å; W536-L585 HydrophobicContact CZ2-CD1 4.4Å; W536-L585 HydrophobicContact CZ2-CD2 4.22Å; W536-L585 HydrophobicContact CZ3-CD1 3.9Å
537	L	83.6	Confident	81.2	Confident	16 Å²	16	62.9 Å²	62.9	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-59.2	-34.6	172.9	-73.1	174.3	0	0	0	112.8	Q533 S539 F548 F553 Y556 L581	Q533-L537 WeakPolarHBondContact O-CB 3.3Å; Q533-L537 VanDerWaalsContact O-CG 3.31Å; Q533-L537 WeakPolarHBondContact O-CG 3.47Å; Q533-L537 PolarHBondContact O-N 2.88Å; L537-S539 VanDerWaalsContact C-N 3.28Å; L537-S539 PolarHBondContact O-N 3.48Å; L537-F548 HydrophobicContact CD2-CB 4.43Å; L537-F548 HydrophobicContact CD2-CD1 3.37Å; L537-F548 HydrophobicContact CD2-CE1 3.78Å; L537-F548 HydrophobicContact CD2-CG 3.83Å; L537-F553 HydrophobicContact CD2-CD1 4.44Å; L537-Y556 HydrophobicContact CD1-CD1 3.99Å; L537-Y556 HydrophobicContact CD1-CD2 4.14Å; L537-Y556 HydrophobicContact CD1-CG 3.68Å; L537-L581 HydrophobicContact CD1-CD1 3.99Å; L537-L581 HydrophobicContact CD2-CD1 4.33Å; L537-L581 HydrophobicContact CG-CD1 4.1Å
538	N	81.8	Confident	79.8	Confident	92 Å²	92	62.6 Å²	62.6	49%	0.492	33%	0.332	S	S	.	.	H	α-helix	trans	-72.5	-21	179.9	-159.8	10	0	0	0	113.1	L534 T535 W536 K543	L534-N538 PolarHBondContact O-N 2.97Å; T535-N538 PolarHBondContact O-N 3.44Å; W536-N538 VanDerWaalsContact C-N 3.27Å; W536-N538 PolarHBondContact O-N 3.28Å; N538-K543 WeakPolarHBondContact O-CE 3.46Å; N538-K543 PolarHBondContact O-NZ 2.94Å; N538-K543 PolarHBondContact OD1-NZ 3.07Å
539	S	82.8	Confident	78.4	Confident	42 Å²	42	69.1 Å²	69.1	29%	0.294	37%	0.367	S	S	.	.	S	Bend	trans	-64.8	137.9	-173.8	76.4	0	0	0	0	113.5	T535 W536 L537 Y541 N542 K543	T535-S539 PolarHBondContact O-N 3.36Å; W536-S539 WeakPolarHBondContact O-CB 3.37Å; W536-S539 PolarHBondContact O-N 2.59Å; W536-S539 VanDerWaalsContact O-N 3.17Å; W536-S539 PolarHBondContact O-OG 3.38Å; L537-S539 VanDerWaalsContact C-N 3.28Å; L537-S539 PolarHBondContact O-N 3.48Å; S539-Y541 VanDerWaalsContact C-N 3.27Å; S539-Y541 PolarHBondContact O-N 2.79Å; S539-N542 PolarHBondContact O-N 2.9Å; S539-N542 WeakPolarHBondContact OG-CB 3.44Å; S539-N542 PolarHBondContact OG-ND2 3.46Å; S539-N542 VanDerWaalsContact OG-ND2 3.09Å; S539-K543 PolarHBondContact O-N 3.05Å; S539-K543 VanDerWaalsContact O-N 3.07Å
540	S	75.6	Confident	77.4	Confident	105 Å²	105	68.8 Å²	68.8	73%	0.734	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-35.9	-177.2	-178	0	0	0	0	113.1	K544	S540-K544 PolarHBondContact O-N 3.16Å; S540-K544 VanDerWaalsContact O-N 3.13Å
541	Y	72.9	Confident	76.9	Confident	150 Å²	150	71.6 Å²	71.6	59%	0.588	38%	0.383	S	S	*	.	H	α-helix	trans	-60.2	-49.9	175.7	-178.2	-98.9	0	0	0	111.9	S539 K544 L545	S539-Y541 VanDerWaalsContact C-N 3.27Å; S539-Y541 PolarHBondContact O-N 2.79Å; Y541-K544 WeakPolarHBondContact O-CB 3.21Å; Y541-K544 PolarHBondContact O-N 2.84Å; Y541-K544 VanDerWaalsContact O-N 3.16Å; Y541-L545 HydrophobicContact CD1-CD1 3.98Å; Y541-L545 HydrophobicContact CE1-CD1 3.69Å; Y541-L545 HydrophobicContact CG-CD1 4.5Å; Y541-L545 VanDerWaalsContact O-CD1 3.22Å; Y541-L545 WeakPolarHBondContact O-CD1 3.31Å; Y541-L545 PolarHBondContact O-N 3.2Å
542	N	70.7	Confident	76.5	Confident	6 Å²	6	70.3 Å²	70.3	3%	0.032	37%	0.368	C	S	.	.	H	α-helix	trans	-69.3	-39.7	-178.4	-71.3	-19.9	0	0	0	112.4	W536 S539 K544 L545 F548	W536-N542 PolarHBondContact NE1-ND2 2.99Å; W536-N542 PolarHBondContact O-ND2 3.31Å; S539-N542 PolarHBondContact O-N 2.9Å; S539-N542 WeakPolarHBondContact OG-CB 3.44Å; S539-N542 PolarHBondContact OG-ND2 3.46Å; S539-N542 VanDerWaalsContact OG-ND2 3.09Å; N542-K544 PolarHBondContact O-N 3.38Å; N542-L545 WeakPolarHBondContact O-CB 3.29Å; N542-L545 PolarHBondContact O-N 3Å; N542-F548 HydrophobicContact CB-CD2 4.38Å; N542-F548 HydrophobicContact CB-CE2 3.72Å; N542-F548 HydrophobicContact CB-CZ 4.41Å; N542-F548 WeakPolarHBondContact O-CD2 3.16Å; N542-F548 VanDerWaalsContact O-CE2 3.28Å; N542-F548 WeakPolarHBondContact O-CE2 3.32Å
543	K	69.6	Low	76.2	Confident	119 Å²	119	67.4 Å²	67.4	52%	0.517	36%	0.357	S	S	.	.	H	α-helix	trans	-55	-36.8	171.4	-72.9	172.9	175.5	163.9	0	111.7	N538 S539 L545 G546	N538-K543 WeakPolarHBondContact O-CE 3.46Å; N538-K543 PolarHBondContact O-NZ 2.94Å; N538-K543 PolarHBondContact OD1-NZ 3.07Å; S539-K543 PolarHBondContact O-N 3.05Å; S539-K543 VanDerWaalsContact O-N 3.07Å; K543-L545 VanDerWaalsContact C-N 3.35Å; K543-L545 PolarHBondContact O-N 3.39Å; K543-G546 PolarHBondContact O-N 3.1Å
544	K	67.1	Low	76	Confident	188 Å²	188	72.1 Å²	72.1	82%	0.817	38%	0.382	S	S	*	.	H	α-helix	trans	-72	-19.1	176.4	-169.2	171.9	179.9	177.9	0	114.5	S540 Y541 N542 G546	S540-K544 PolarHBondContact O-N 3.16Å; S540-K544 VanDerWaalsContact O-N 3.13Å; Y541-K544 WeakPolarHBondContact O-CB 3.21Å; Y541-K544 PolarHBondContact O-N 2.84Å; Y541-K544 VanDerWaalsContact O-N 3.16Å; N542-K544 PolarHBondContact O-N 3.38Å; K544-G546 VanDerWaalsContact C-N 3.26Å; K544-G546 PolarHBondContact O-N 3.04Å
545	L	66.3	Low	76	Confident	57 Å²	57	73.1 Å²	73.1	30%	0.298	39%	0.39	S	S	.	.	H	α-helix	trans	-71.9	-17.4	174.4	-92	75.5	0	0	0	113	I279 Y541 N542 K543 I547	I279-L545 HydrophobicContact CB-CD2 4.42Å; I279-L545 HydrophobicContact CG2-CD2 4.34Å; Y541-L545 HydrophobicContact CD1-CD1 3.98Å; Y541-L545 HydrophobicContact CE1-CD1 3.69Å; Y541-L545 HydrophobicContact CG-CD1 4.5Å; Y541-L545 VanDerWaalsContact O-CD1 3.22Å; Y541-L545 WeakPolarHBondContact O-CD1 3.31Å; Y541-L545 PolarHBondContact O-N 3.2Å; N542-L545 WeakPolarHBondContact O-CB 3.29Å; N542-L545 PolarHBondContact O-N 3Å; K543-L545 VanDerWaalsContact C-N 3.35Å; K543-L545 PolarHBondContact O-N 3.39Å; L545-I547 HydrophobicContact CB-CD1 4.14Å; L545-I547 HydrophobicContact CB-CG1 4.25Å; L545-I547 HydrophobicContact CD2-CD1 3.84Å; L545-I547 PolarHBondContact O-N 3.25Å
546	G	65.7	Low	76.1	Confident	36 Å²	36	68.4 Å²	68.4	37%	0.371	36%	0.36	S	S	.	.			trans	70.1	-7.7	177.4	0	0	0	0	0	116	K543 K544 F548 N549	K543-G546 PolarHBondContact O-N 3.1Å; K544-G546 VanDerWaalsContact C-N 3.26Å; K544-G546 PolarHBondContact O-N 3.04Å; G546-F548 PolarHBondContact O-N 2.84Å; G546-N549 PolarHBondContact O-N 3.46Å
547	I	65.1	Low	76.1	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.149	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-56	-33.3	179.8	-69.5	173	0	0	0	112.4	Y334 L545 N549	Y334-I547 HydrophobicContact CD1-CD1 3.98Å; Y334-I547 HydrophobicContact CD1-CG2 4.5Å; Y334-I547 HydrophobicContact CE1-CD1 4.01Å; Y334-I547 HydrophobicContact CE1-CG1 4.43Å; Y334-I547 HydrophobicContact CE1-CG2 3.62Å; Y334-I547 HydrophobicContact CE2-CG2 4.02Å; Y334-I547 VanDerWaalsContact OH-CG2 3.29Å; Y334-I547 WeakPolarHBondContact OH-CG2 3.44Å; L545-I547 HydrophobicContact CB-CD1 4.14Å; L545-I547 HydrophobicContact CB-CG1 4.25Å; L545-I547 HydrophobicContact CD2-CD1 3.84Å; L545-I547 PolarHBondContact O-N 3.25Å; I547-N549 VanDerWaalsContact C-N 3.28Å; I547-N549 PolarHBondContact O-N 2.86Å
548	F	65.4	Low	76.4	Confident	27 Å²	27	76.3 Å²	76.3	12%	0.118	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-84.5	4.2	-169.5	-50	-68.6	0	0	0	114.7	W536 L537 N542 G546 N550 F553 L581	W536-F548 HydrophobicContact CE3-CZ 4.48Å; W536-F548 AromaticContact CH2-CE1 3.89Å; W536-F548 HydrophobicContact CH2-CE1 3.89Å; W536-F548 AromaticContact CH2-CZ 3.48Å; W536-F548 HydrophobicContact CH2-CZ 3.48Å; W536-F548 VanDerWaalsContact CH2-CZ 3.48Å; W536-F548 HydrophobicContact CZ2-CZ 4.43Å; W536-F548 AromaticContact CZ3-CE1 3.54Å; W536-F548 HydrophobicContact CZ3-CE1 3.54Å; W536-F548 AromaticContact CZ3-CZ 3.51Å; W536-F548 HydrophobicContact CZ3-CZ 3.51Å; L537-F548 HydrophobicContact CD2-CB 4.43Å; L537-F548 HydrophobicContact CD2-CD1 3.37Å; L537-F548 HydrophobicContact CD2-CE1 3.78Å; L537-F548 HydrophobicContact CD2-CG 3.83Å; N542-F548 HydrophobicContact CB-CD2 4.38Å; N542-F548 HydrophobicContact CB-CE2 3.72Å; N542-F548 HydrophobicContact CB-CZ 4.41Å; N542-F548 WeakPolarHBondContact O-CD2 3.16Å; N542-F548 VanDerWaalsContact O-CE2 3.28Å; N542-F548 WeakPolarHBondContact O-CE2 3.32Å; G546-F548 PolarHBondContact O-N 2.84Å; F548-N550 PolarHBondContact O-N 3.32Å; F548-F553 HydrophobicContact CB-CD2 4.27Å; F548-F553 HydrophobicContact CB-CG 4.42Å; F548-F553 HydrophobicContact CD1-CD1 4.11Å; F548-F553 HydrophobicContact CD1-CD2 4.25Å; F548-F553 AromaticContact CD1-CE1 3.84Å; F548-F553 HydrophobicContact CD1-CE1 3.84Å; F548-F553 AromaticContact CD1-CE2 3.96Å; F548-F553 HydrophobicContact CD1-CE2 3.96Å; F548-F553 HydrophobicContact CD1-CG 4.31Å; F548-F553 AromaticContact CD1-CZ 3.75Å; F548-F553 HydrophobicContact CD1-CZ 3.75Å; F548-F553 HydrophobicContact CE1-CE1 4.28Å; F548-F553 HydrophobicContact CE1-CZ 4.13Å; F548-L581 HydrophobicContact CE1-CD2 4.47Å
549	N	64.5	Low	76.9	Confident	146 Å²	146	71.9 Å²	71.9	78%	0.781	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-78.6	-4.8	176.6	-67.7	3.1	0	0	0	113.3	G546 I547	G546-N549 PolarHBondContact O-N 3.46Å; I547-N549 VanDerWaalsContact C-N 3.28Å; I547-N549 PolarHBondContact O-N 2.86Å
550	N	72.3	Confident	77.2	Confident	76 Å²	76	71.5 Å²	71.5	41%	0.406	37%	0.369	S	S	.	.	S	Bend	trans	-69.8	146.2	176.5	-69.4	-27.1	0	0	0	111.6	F548 E552 F553	F548-N550 PolarHBondContact O-N 3.32Å; N550-E552 PolarHBondContact O-N 3.2Å; N550-F553 HydrophobicContact CB-CD2 4.05Å; N550-F553 HydrophobicContact CB-CE2 4.21Å; N550-F553 PolarHBondContact O-N 3.04Å
551	T	80.1	Confident	77.9	Confident	111 Å²	111	72 Å²	72	68%	0.681	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-56.8	-26.4	-179.5	48.9	0	0	0	0	113.9	F553 I554	T551-F553 PolarHBondContact O-N 3.28Å; T551-F553 VanDerWaalsContact O-N 3.13Å; T551-I554 HydrophobicContact CG2-CD1 4.1Å; T551-I554 WeakPolarHBondContact O-CB 3.36Å; T551-I554 WeakPolarHBondContact O-CG1 3.4Å; T551-I554 PolarHBondContact O-N 3.15Å; T551-I554 VanDerWaalsContact O-N 3.15Å
552	E	80.6	Confident	78.8	Confident	55 Å²	55	66.1 Å²	66.1	26%	0.257	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-57.8	-21	174.9	-56	-178.5	134.9	0	0	113.6	N340 N550 V580 K584	N340-E552 PolarHBondContact ND2-OE1 3.22Å; N550-E552 PolarHBondContact O-N 3.2Å; E552-V580 HydrophobicContact CB-CG1 4.04Å; E552-V580 HydrophobicContact CB-CG2 4.4Å; E552-K584 WeakPolarHBondContact OE2-CE 3.11Å; E552-K584 IonicContact OE2-NZ 3.45Å; E552-K584 PolarHBondContact OE2-NZ 3.04Å
553	F	84.4	Confident	79.8	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.018	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-96.4	-8.2	179.5	-61.1	-71.8	0	0	0	114.8	L537 F548 N550 T551 P555 Y556 L557 V580 L581	L537-F553 HydrophobicContact CD2-CD1 4.44Å; F548-F553 HydrophobicContact CB-CD2 4.27Å; F548-F553 HydrophobicContact CB-CG 4.42Å; F548-F553 HydrophobicContact CD1-CD1 4.11Å; F548-F553 HydrophobicContact CD1-CD2 4.25Å; F548-F553 AromaticContact CD1-CE1 3.84Å; F548-F553 HydrophobicContact CD1-CE1 3.84Å; F548-F553 AromaticContact CD1-CE2 3.96Å; F548-F553 HydrophobicContact CD1-CE2 3.96Å; F548-F553 HydrophobicContact CD1-CG 4.31Å; F548-F553 AromaticContact CD1-CZ 3.75Å; F548-F553 HydrophobicContact CD1-CZ 3.75Å; F548-F553 HydrophobicContact CE1-CE1 4.28Å; F548-F553 HydrophobicContact CE1-CZ 4.13Å; N550-F553 HydrophobicContact CB-CD2 4.05Å; N550-F553 HydrophobicContact CB-CE2 4.21Å; N550-F553 PolarHBondContact O-N 3.04Å; T551-F553 PolarHBondContact O-N 3.28Å; T551-F553 VanDerWaalsContact O-N 3.13Å; F553-P555 VanDerWaalsContact C-CD 3.41Å; F553-P555 VanDerWaalsContact C-N 3.3Å; F553-Y556 AromaticContact CD1-CD2 3.96Å; F553-Y556 HydrophobicContact CD1-CD2 3.96Å; F553-Y556 HydrophobicContact CD1-CE2 4.16Å; F553-Y556 PolarHBondContact O-N 3.38Å; F553-L557 PolarHBondContact O-N 3.33Å; F553-V580 HydrophobicContact CD1-CG1 4.49Å; F553-V580 HydrophobicContact CE1-CG1 3.93Å; F553-V580 HydrophobicContact CZ-CG1 4.22Å; F553-L581 HydrophobicContact CE1-CD2 3.73Å; F553-L581 HydrophobicContact CE1-CG 4.19Å; F553-L581 HydrophobicContact CZ-CD2 4.48Å
554	I	85.9	Confident	80.7	Confident	100 Å²	100	70.2 Å²	70.2	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-52.7	-40.8	175.8	-64.6	169.1	0	0	0	112.5	T551 Y556 L557 K558	T551-I554 HydrophobicContact CG2-CD1 4.1Å; T551-I554 WeakPolarHBondContact O-CB 3.36Å; T551-I554 WeakPolarHBondContact O-CG1 3.4Å; T551-I554 PolarHBondContact O-N 3.15Å; T551-I554 VanDerWaalsContact O-N 3.15Å; I554-Y556 VanDerWaalsContact C-N 3.32Å; I554-Y556 PolarHBondContact O-N 3.37Å; I554-L557 PolarHBondContact O-N 3.15Å; I554-K558 PolarHBondContact O-N 3.49Å
555	P	88.7	Confident	82	Confident	47 Å²	47	68.1 Å²	68.1	31%	0.305	36%	0.358	S	S	.	.	H	α-helix	trans	-62.2	-33.1	177.8	-26.7	38.8	0	0	0	114.2	F553 A559 I574 I578	F553-P555 VanDerWaalsContact C-CD 3.41Å; F553-P555 VanDerWaalsContact C-N 3.3Å; P555-A559 PolarHBondContact O-N 3.21Å; P555-I574 HydrophobicContact CB-CG2 4.39Å; P555-I574 WeakPolarHBondContact O-CG2 3.39Å; P555-I578 HydrophobicContact CB-CD1 3.31Å; P555-I578 HydrophobicContact CB-CG1 3.77Å
556	Y	88.6	Confident	83.2	Confident	1 Å²	1	67.5 Å²	67.5	0%	0.004	37%	0.365	C	S	.	.	H	α-helix	trans	-69.4	-40.4	173.7	-70	-76.7	0	0	0	112.1	Q533 L537 F553 I554 K558 A559 Q560 L575 I578 V580 L581 E582	Q533-Y556 HydrophobicContact CB-CE1 4.43Å; Q533-Y556 PolarHBondContact OE1-OH 2.94Å; L537-Y556 HydrophobicContact CD1-CD1 3.99Å; L537-Y556 HydrophobicContact CD1-CD2 4.14Å; L537-Y556 HydrophobicContact CD1-CG 3.68Å; F553-Y556 AromaticContact CD1-CD2 3.96Å; F553-Y556 HydrophobicContact CD1-CD2 3.96Å; F553-Y556 HydrophobicContact CD1-CE2 4.16Å; F553-Y556 PolarHBondContact O-N 3.38Å; I554-Y556 VanDerWaalsContact C-N 3.32Å; I554-Y556 PolarHBondContact O-N 3.37Å; Y556-K558 VanDerWaalsContact C-N 3.31Å; Y556-K558 PolarHBondContact O-N 3.06Å; Y556-A559 PolarHBondContact O-N 3.04Å; Y556-Q560 WeakPolarHBondContact O-CG 3.28Å; Y556-Q560 PolarHBondContact O-N 3.24Å; Y556-L575 HydrophobicContact CD1-CD2 3.76Å; Y556-L575 HydrophobicContact CE1-CD2 4.01Å; Y556-I578 HydrophobicContact CD2-CG2 4.27Å; Y556-I578 HydrophobicContact CE1-CG2 4.24Å; Y556-I578 HydrophobicContact CE2-CG2 3.53Å; Y556-V580 HydrophobicContact CE2-CB 4.23Å; Y556-L581 HydrophobicContact CE1-CD1 4.07Å; Y556-L581 HydrophobicContact CE2-CD1 4.06Å; Y556-L581 HydrophobicContact CE2-CG 3.98Å; Y556-L581 WeakPolarHBondContact OH-CB 3.33Å; Y556-L581 PolarHBondContact OH-N 3.24Å; Y556-E582 PolarHBondContact OH-OE2 3.42Å
557	L	86.5	Confident	84.4	Confident	94 Å²	94	68.4 Å²	68.4	49%	0.492	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-41.3	175.7	-63.3	173.7	0	0	0	111	F553 I554 Q560 Q561	F553-L557 PolarHBondContact O-N 3.33Å; I554-L557 PolarHBondContact O-N 3.15Å; L557-Q560 PolarHBondContact O-N 2.9Å; L557-Q561 WeakPolarHBondContact O-CG 3.42Å; L557-Q561 PolarHBondContact O-N 3.04Å
558	K	90.6	Very high	85.7	Confident	117 Å²	117	72.7 Å²	72.7	51%	0.509	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-40.3	174	-172.7	178.4	177.5	-176	0	112.2	I554 Y556 Q561 L562 I574	I554-K558 PolarHBondContact O-N 3.49Å; Y556-K558 VanDerWaalsContact C-N 3.31Å; Y556-K558 PolarHBondContact O-N 3.06Å; K558-Q561 PolarHBondContact O-N 3.04Å; K558-L562 HydrophobicContact CG-CD1 4.17Å; K558-L562 WeakPolarHBondContact O-CG 3.39Å; K558-L562 PolarHBondContact O-N 2.96Å; K558-I574 HydrophobicContact CD-CD1 3.92Å; K558-I574 HydrophobicContact CG-CD1 4.15Å
559	A	91.3	Very high	87	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-65.8	-38.4	175.7	0	0	0	0	0	112.4	P555 Y556 L562 L563 I574 L575	P555-A559 PolarHBondContact O-N 3.21Å; Y556-A559 PolarHBondContact O-N 3.04Å; A559-L562 PolarHBondContact O-N 2.86Å; A559-L563 VanDerWaalsContact O-CG 3.31Å; A559-L563 WeakPolarHBondContact O-CG 3.32Å; A559-L563 PolarHBondContact O-N 2.73Å; A559-L563 VanDerWaalsContact O-N 3.09Å; A559-I574 HydrophobicContact CB-CG2 4.15Å; A559-L575 HydrophobicContact CB-CD1 4.1Å; A559-L575 HydrophobicContact CB-CD2 3.87Å; A559-L575 HydrophobicContact CB-CG 3.76Å
560	Q	89.1	Confident	88.3	Confident	33 Å²	33	74 Å²	74	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-60.1	-49.3	173	-73.1	174.9	-31.2	0	0	111.3	L534 Y556 L557 L562 L563 E564	L534-Q560 HydrophobicContact CD2-CG 3.56Å; L534-Q560 PolarHBondContact O-NE2 2.85Å; L534-Q560 VanDerWaalsContact O-NE2 3.17Å; Y556-Q560 WeakPolarHBondContact O-CG 3.28Å; Y556-Q560 PolarHBondContact O-N 3.24Å; L557-Q560 PolarHBondContact O-N 2.9Å; Q560-L562 VanDerWaalsContact C-N 3.34Å; Q560-L562 PolarHBondContact O-N 3.02Å; Q560-L563 PolarHBondContact O-N 3.07Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; Q560-E564 WeakPolarHBondContact O-CG 3.18Å; Q560-E564 PolarHBondContact O-N 3.48Å
561	Q	90.1	Very high	89.2	Confident	115 Å²	115	70.4 Å²	70.4	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-60.3	-39.2	177.8	-71.2	172.3	-18.9	0	0	113	L557 K558 E564 L565	L557-Q561 WeakPolarHBondContact O-CG 3.42Å; L557-Q561 PolarHBondContact O-N 3.04Å; K558-Q561 PolarHBondContact O-N 3.04Å; Q561-E564 PolarHBondContact O-N 3.01Å; Q561-L565 VanDerWaalsContact O-CG 3.3Å; Q561-L565 WeakPolarHBondContact O-CG 3.35Å; Q561-L565 PolarHBondContact O-N 3.24Å
562	L	92.4	Very high	89.8	Confident	28 Å²	28	68.6 Å²	68.6	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-68.1	-34.3	176.8	-75.5	164.4	0	0	0	112.6	K558 A559 Q560 L565 G566 N567 D570 A571 I574	K558-L562 HydrophobicContact CG-CD1 4.17Å; K558-L562 WeakPolarHBondContact O-CG 3.39Å; K558-L562 PolarHBondContact O-N 2.96Å; A559-L562 PolarHBondContact O-N 2.86Å; Q560-L562 VanDerWaalsContact C-N 3.34Å; Q560-L562 PolarHBondContact O-N 3.02Å; L562-L565 CarbonylContact O-C 3.36Å; L562-L565 PolarHBondContact O-N 3.47Å; L562-G566 PolarHBondContact O-N 3.23Å; L562-N567 HydrophobicContact CD2-CB 4.21Å; L562-N567 PolarHBondContact O-N 3.45Å; L562-D570 HydrophobicContact CD1-CB 4.08Å; L562-D570 HydrophobicContact CD2-CB 4.48Å; L562-A571 HydrophobicContact CB-CB 4Å; L562-I574 HydrophobicContact CD1-CD1 3.49Å; L562-I574 VanDerWaalsContact CD1-CD1 3.49Å
563	L	90.5	Very high	90.3	Very high	53 Å²	53	69.6 Å²	69.6	28%	0.277	36%	0.364	S	S	.	.	H	α-helix	trans	-69.9	-38.5	172.9	-69	166.6	0	0	0	112.1	L534 A559 Q560 L565 G566 H568 A571	L534-L563 HydrophobicContact CD1-CD1 3.6Å; A559-L563 VanDerWaalsContact O-CG 3.31Å; A559-L563 WeakPolarHBondContact O-CG 3.32Å; A559-L563 PolarHBondContact O-N 2.73Å; A559-L563 VanDerWaalsContact O-N 3.09Å; Q560-L563 PolarHBondContact O-N 3.07Å; Q560-L563 VanDerWaalsContact O-N 3.16Å; L563-L565 PolarHBondContact O-N 3.38Å; L563-G566 PolarHBondContact O-N 3.49Å; L563-H568 VanDerWaalsContact CD2-ND1 3.32Å; L563-H568 WeakPolarHBondContact CD2-ND1 3.32Å; L563-A571 HydrophobicContact CD1-CB 4.33Å; L563-A571 HydrophobicContact CD2-CB 3.77Å; L563-A571 HydrophobicContact CG-CB 3.63Å
564	E	89.8	Confident	90.6	Very high	157 Å²	157	71 Å²	71	73%	0.734	37%	0.371	S	S	*	.	H	α-helix	trans	-63.9	-30.3	173	-71.3	171	174	0	0	112.2	Q560 Q561 G566	Q560-E564 WeakPolarHBondContact O-CG 3.18Å; Q560-E564 PolarHBondContact O-N 3.48Å; Q561-E564 PolarHBondContact O-N 3.01Å; E564-G566 VanDerWaalsContact C-N 3.33Å
565	L	93.2	Very high	90.9	Very high	145 Å²	145	66.7 Å²	66.7	76%	0.759	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	3.1	172	-66.9	170	0	0	0	114	Q561 L562 L563 N567	Q561-L565 VanDerWaalsContact O-CG 3.3Å; Q561-L565 WeakPolarHBondContact O-CG 3.35Å; Q561-L565 PolarHBondContact O-N 3.24Å; L562-L565 CarbonylContact O-C 3.36Å; L562-L565 PolarHBondContact O-N 3.47Å; L563-L565 PolarHBondContact O-N 3.38Å; L565-N567 PolarHBondContact O-N 2.91Å
566	G	91.6	Very high	90.9	Very high	44 Å²	44	69.7 Å²	69.7	45%	0.454	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	2.9	-179.6	0	0	0	0	0	115.8	L562 L563 E564 H568	L562-G566 PolarHBondContact O-N 3.23Å; L563-G566 PolarHBondContact O-N 3.49Å; E564-G566 VanDerWaalsContact C-N 3.33Å; G566-H568 VanDerWaalsContact C-N 3.34Å; G566-H568 PolarHBondContact O-CD2 3.05Å; G566-H568 VanDerWaalsContact O-CD2 3.23Å; G566-H568 PolarHBondContact O-N 2.95Å
567	N	92.3	Very high	90.9	Very high	55 Å²	55	77.9 Å²	77.9	29%	0.294	40%	0.398	S	S	.	.			trans	-84.4	76.9	177	-173.7	-8.2	0	0	0	110.9	L562 L565 I569 D570 A571	L562-N567 HydrophobicContact CD2-CB 4.21Å; L562-N567 PolarHBondContact O-N 3.45Å; L565-N567 PolarHBondContact O-N 2.91Å; N567-I569 VanDerWaalsContact C-N 3.33Å; N567-I569 PolarHBondContact O-N 3.48Å; N567-D570 PolarHBondContact ND2-OD2 2.78Å; N567-D570 PolarHBondContact OD1-N 3.13Å; N567-D570 VanDerWaalsContact OD1-N 3.16Å; N567-A571 PolarHBondContact O-N 2.88Å
568	H	91.3	Very high	90.9	Very high	118 Å²	118	74.1 Å²	74.1	55%	0.546	38%	0.378	S	S	.	.	H	α-helix	trans	-63.3	-34.9	-179.7	-63.4	-73.4	0	0	0	113.7	L563 G566 A571 V572	L563-H568 VanDerWaalsContact CD2-ND1 3.32Å; L563-H568 WeakPolarHBondContact CD2-ND1 3.32Å; G566-H568 VanDerWaalsContact C-N 3.34Å; G566-H568 PolarHBondContact O-CD2 3.05Å; G566-H568 VanDerWaalsContact O-CD2 3.23Å; G566-H568 PolarHBondContact O-N 2.95Å; H568-A571 PolarHBondContact O-N 3.41Å; H568-V572 WeakPolarHBondContact O-CG2 3.47Å; H568-V572 PolarHBondContact O-N 3.1Å
569	I	92.7	Very high	90.8	Very high	126 Å²	126	71.8 Å²	71.8	65%	0.646	37%	0.371	S	S	*	.	H	α-helix	trans	-68.2	-48.8	-173.6	-61.8	175.2	0	0	0	110.5	N567 A571 V572 N573	N567-I569 VanDerWaalsContact C-N 3.33Å; N567-I569 PolarHBondContact O-N 3.48Å; I569-A571 VanDerWaalsContact C-N 3.32Å; I569-A571 PolarHBondContact O-N 3.24Å; I569-V572 PolarHBondContact O-N 3.36Å; I569-N573 WeakPolarHBondContact O-CB 3.38Å; I569-N573 PolarHBondContact O-N 2.88Å; I569-N573 PolarHBondContact O-ND2 3.43Å
570	D	92.4	Very high	90.7	Very high	76 Å²	76	72.5 Å²	72.5	41%	0.406	38%	0.376	S	S	.	.	H	α-helix	trans	-69.8	-30.2	178.8	-71.7	-31.8	0	0	0	112.6	L562 N567 I574	L562-D570 HydrophobicContact CD1-CB 4.08Å; L562-D570 HydrophobicContact CD2-CB 4.48Å; N567-D570 PolarHBondContact ND2-OD2 2.78Å; N567-D570 PolarHBondContact OD1-N 3.13Å; N567-D570 VanDerWaalsContact OD1-N 3.16Å; D570-I574 WeakPolarHBondContact O-CD1 3.23Å; D570-I574 VanDerWaalsContact O-CG1 3.29Å; D570-I574 WeakPolarHBondContact O-CG1 3.34Å; D570-I574 PolarHBondContact O-N 3.34Å; D570-I574 VanDerWaalsContact O-N 3.15Å
571	A	91.6	Very high	90.6	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-45.1	172.1	0	0	0	0	0	112.1	L562 L563 N567 H568 I569 I574 L575	L562-A571 HydrophobicContact CB-CB 4Å; L563-A571 HydrophobicContact CD1-CB 4.33Å; L563-A571 HydrophobicContact CD2-CB 3.77Å; L563-A571 HydrophobicContact CG-CB 3.63Å; N567-A571 PolarHBondContact O-N 2.88Å; H568-A571 PolarHBondContact O-N 3.41Å; I569-A571 VanDerWaalsContact C-N 3.32Å; I569-A571 PolarHBondContact O-N 3.24Å; A571-I574 PolarHBondContact O-N 2.96Å; A571-L575 WeakPolarHBondContact O-CB 3.49Å; A571-L575 WeakPolarHBondContact O-CD1 3.26Å; A571-L575 VanDerWaalsContact O-CG 3.26Å; A571-L575 WeakPolarHBondContact O-CG 3.4Å; A571-L575 PolarHBondContact O-N 3.46Å
572	V	91.2	Very high	90.7	Very high	72 Å²	72	67.3 Å²	67.3	44%	0.436	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-47.1	175.8	171.1	0	0	0	0	111	H568 I569 I574 L575 D576	H568-V572 WeakPolarHBondContact O-CG2 3.47Å; H568-V572 PolarHBondContact O-N 3.1Å; I569-V572 PolarHBondContact O-N 3.36Å; V572-I574 PolarHBondContact O-N 3.39Å; V572-L575 PolarHBondContact O-N 3.38Å; V572-D576 WeakPolarHBondContact CG1-OD2 3.39Å; V572-D576 PolarHBondContact O-N 3.28Å
573	N	92.4	Very high	90.5	Very high	76 Å²	76	69.4 Å²	69.4	41%	0.406	36%	0.358	S	S	.	.	H	α-helix	trans	-57	-22	176	-79	-33.6	0	0	0	114.4	I569 K577	I569-N573 WeakPolarHBondContact O-CB 3.38Å; I569-N573 PolarHBondContact O-N 2.88Å; I569-N573 PolarHBondContact O-ND2 3.43Å; N573-K577 VanDerWaalsContact O-CD 3.28Å; N573-K577 WeakPolarHBondContact O-CD 3.4Å; N573-K577 VanDerWaalsContact O-CE 3.3Å; N573-K577 WeakPolarHBondContact O-CE 3.31Å
574	I	91	Very high	90.5	Very high	35 Å²	35	67.4 Å²	67.4	18%	0.179	35%	0.347	C	S	.	.	H	α-helix	trans	-87.1	-49.1	172.1	-73.9	165.8	0	0	0	110.4	P555 K558 A559 L562 D570 A571 V572 D576 K577 I578	P555-I574 HydrophobicContact CB-CG2 4.39Å; P555-I574 WeakPolarHBondContact O-CG2 3.39Å; K558-I574 HydrophobicContact CD-CD1 3.92Å; K558-I574 HydrophobicContact CG-CD1 4.15Å; A559-I574 HydrophobicContact CB-CG2 4.15Å; L562-I574 HydrophobicContact CD1-CD1 3.49Å; L562-I574 VanDerWaalsContact CD1-CD1 3.49Å; D570-I574 WeakPolarHBondContact O-CD1 3.23Å; D570-I574 VanDerWaalsContact O-CG1 3.29Å; D570-I574 WeakPolarHBondContact O-CG1 3.34Å; D570-I574 PolarHBondContact O-N 3.34Å; D570-I574 VanDerWaalsContact O-N 3.15Å; A571-I574 PolarHBondContact O-N 2.96Å; V572-I574 PolarHBondContact O-N 3.39Å; I574-D576 VanDerWaalsContact C-N 3.34Å; I574-D576 PolarHBondContact O-N 2.85Å; I574-K577 PolarHBondContact O-N 3.36Å; I574-K577 VanDerWaalsContact O-N 3.12Å; I574-I578 HydrophobicContact CG2-CD1 3.66Å; I574-I578 WeakPolarHBondContact O-CD1 3.38Å; I574-I578 WeakPolarHBondContact O-CG1 3.2Å
575	L	91.3	Very high	90.6	Very high	8 Å²	8	60 Å²	60	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-35.7	-176.6	-72.3	165.2	0	0	0	113.9	K530 L534 Y556 A559 A571 V572 K577 I578	K530-L575 HydrophobicContact CD-CB 4.3Å; K530-L575 WeakPolarHBondContact CE-O 3.15Å; K530-L575 HydrophobicContact CG-CB 4.46Å; K530-L575 PolarHBondContact NZ-O 3.23Å; L534-L575 HydrophobicContact CD1-CD1 3.94Å; L534-L575 HydrophobicContact CD2-CD2 4.18Å; Y556-L575 HydrophobicContact CD1-CD2 3.76Å; Y556-L575 HydrophobicContact CE1-CD2 4.01Å; A559-L575 HydrophobicContact CB-CD1 4.1Å; A559-L575 HydrophobicContact CB-CD2 3.87Å; A559-L575 HydrophobicContact CB-CG 3.76Å; A571-L575 WeakPolarHBondContact O-CB 3.49Å; A571-L575 WeakPolarHBondContact O-CD1 3.26Å; A571-L575 VanDerWaalsContact O-CG 3.26Å; A571-L575 WeakPolarHBondContact O-CG 3.4Å; A571-L575 PolarHBondContact O-N 3.46Å; V572-L575 PolarHBondContact O-N 3.38Å; L575-K577 PolarHBondContact O-N 3.17Å; L575-I578 PolarHBondContact O-N 3Å
576	D	88.4	Confident	90.7	Very high	110 Å²	110	53 Å²	53	59%	0.588	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-16.7	178.7	-67.8	-18.3	0	0	0	113.1	V572 I574	V572-D576 WeakPolarHBondContact CG1-OD2 3.39Å; V572-D576 PolarHBondContact O-N 3.28Å; I574-D576 VanDerWaalsContact C-N 3.34Å; I574-D576 PolarHBondContact O-N 2.85Å
577	K	88.8	Confident	90.9	Very high	173 Å²	173	51 Å²	51	75%	0.752	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	1.5	177.4	-62.6	175.6	-171.7	162.7	0	113.4	N573 I574 L575	N573-K577 VanDerWaalsContact O-CD 3.28Å; N573-K577 WeakPolarHBondContact O-CD 3.4Å; N573-K577 VanDerWaalsContact O-CE 3.3Å; N573-K577 WeakPolarHBondContact O-CE 3.31Å; I574-K577 PolarHBondContact O-N 3.36Å; I574-K577 VanDerWaalsContact O-N 3.12Å; L575-K577 PolarHBondContact O-N 3.17Å
578	I	87.7	Confident	91.2	Very high	15 Å²	15	48.3 Å²	48.3	8%	0.077	24%	0.24	C	C	.	.			trans	-114.5	134.2	-180	-55.1	154.7	0	0	0	108.9	K530 P555 Y556 I574 L575 V580	K530-I578 PolarHBondContact NZ-O 3.04Å; P555-I578 HydrophobicContact CB-CD1 3.31Å; P555-I578 HydrophobicContact CB-CG1 3.77Å; Y556-I578 HydrophobicContact CD2-CG2 4.27Å; Y556-I578 HydrophobicContact CE1-CG2 4.24Å; Y556-I578 HydrophobicContact CE2-CG2 3.53Å; I574-I578 HydrophobicContact CG2-CD1 3.66Å; I574-I578 WeakPolarHBondContact O-CD1 3.38Å; I574-I578 WeakPolarHBondContact O-CG1 3.2Å; L575-I578 PolarHBondContact O-N 3Å; I578-V580 HydrophobicContact CG2-CB 4.17Å; I578-V580 HydrophobicContact CG2-CG2 3.98Å
579	D	88	Confident	91.4	Very high	68 Å²	68	45 Å²	45	36%	0.364	23%	0.226	S	C	.	.			trans	-131.4	15.5	178.7	69.8	-20.4	0	0	0	112.5	L581 E582 R583	D579-L581 PolarHBondContact O-N 3.28Å; D579-E582 VanDerWaalsContact C-OE2 3.25Å; D579-E582 VanDerWaalsContact CA-OE2 3.32Å; D579-E582 WeakPolarHBondContact CA-OE2 3.4Å; D579-E582 PolarHBondContact O-N 3.47Å; D579-R583 WeakPolarHBondContact O-CB 3.49Å; D579-R583 WeakPolarHBondContact O-CG 3.26Å; D579-R583 PolarHBondContact O-N 3.33Å; D579-R583 IonicContact OD1-CZ 3.89Å; D579-R583 VanDerWaalsContact OD1-CZ 3.27Å; D579-R583 IonicContact OD1-NE 3.63Å; D579-R583 PolarHBondContact OD1-NE 3.03Å; D579-R583 IonicContact OD1-NH2 2.78Å; D579-R583 PolarHBondContact OD1-NH2 2.93Å; D579-R583 VanDerWaalsContact OD2-CD 3.25Å; D579-R583 WeakPolarHBondContact OD2-CD 3.11Å; D579-R583 IonicContact OD2-CZ 2.72Å; D579-R583 IonicContact OD2-NE 3.99Å; D579-R583 PolarHBondContact OD2-NE 3.49Å; D579-R583 IonicContact OD2-NH2 3.67Å
580	V	87.8	Confident	91.7	Very high	16 Å²	16	39 Å²	39	10%	0.097	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-40.1	-168.6	172.8	0	0	0	0	112	E552 F553 Y556 I578 K584	E552-V580 HydrophobicContact CB-CG1 4.04Å; E552-V580 HydrophobicContact CB-CG2 4.4Å; F553-V580 HydrophobicContact CD1-CG1 4.49Å; F553-V580 HydrophobicContact CE1-CG1 3.93Å; F553-V580 HydrophobicContact CZ-CG1 4.22Å; Y556-V580 HydrophobicContact CE2-CB 4.23Å; I578-V580 HydrophobicContact CG2-CB 4.17Å; I578-V580 HydrophobicContact CG2-CG2 3.98Å; V580-K584 HydrophobicContact CG1-CD 4.42Å; V580-K584 WeakPolarHBondContact O-CB 3.49Å; V580-K584 WeakPolarHBondContact O-CG 3.44Å; V580-K584 PolarHBondContact O-N 3.48Å; V580-K584 VanDerWaalsContact O-N 3.15Å
581	L	89	Confident	91.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-74.6	-36.4	176.7	-73.6	174.2	0	0	0	111.4	Q533 W536 L537 F548 F553 Y556 D579 R583 K584 L585	Q533-L581 HydrophobicContact CB-CD1 3.65Å; Q533-L581 HydrophobicContact CG-CB 4.18Å; Q533-L581 HydrophobicContact CG-CD1 3.7Å; W536-L581 HydrophobicContact CE3-CD2 4.41Å; W536-L581 HydrophobicContact CZ3-CD2 3.74Å; L537-L581 HydrophobicContact CD1-CD1 3.99Å; L537-L581 HydrophobicContact CD2-CD1 4.33Å; L537-L581 HydrophobicContact CG-CD1 4.1Å; F548-L581 HydrophobicContact CE1-CD2 4.47Å; F553-L581 HydrophobicContact CE1-CD2 3.73Å; F553-L581 HydrophobicContact CE1-CG 4.19Å; F553-L581 HydrophobicContact CZ-CD2 4.48Å; Y556-L581 HydrophobicContact CE1-CD1 4.07Å; Y556-L581 HydrophobicContact CE2-CD1 4.06Å; Y556-L581 HydrophobicContact CE2-CG 3.98Å; Y556-L581 WeakPolarHBondContact OH-CB 3.33Å; Y556-L581 PolarHBondContact OH-N 3.24Å; D579-L581 PolarHBondContact O-N 3.28Å; L581-R583 VanDerWaalsContact C-N 3.35Å; L581-K584 PolarHBondContact O-N 3.18Å; L581-L585 HydrophobicContact CB-CD1 4.23Å; L581-L585 HydrophobicContact CD2-CD1 3.95Å; L581-L585 HydrophobicContact CD2-CG 4.41Å; L581-L585 VanDerWaalsContact O-CB 3.23Å; L581-L585 WeakPolarHBondContact O-CB 3.41Å; L581-L585 PolarHBondContact O-N 3.47Å
582	E	90.7	Very high	92	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-41	173.1	-62.6	88.1	155.8	0	0	111.4	P381 G382 K530 Q533 Y556 D579	P381-E582 CarbonylContact C-O 3.59Å; G382-E582 WeakPolarHBondContact CA-O 3.29Å; G382-E582 PolarHBondContact N-O 2.82Å; K530-E582 WeakPolarHBondContact CE-OE1 3.48Å; K530-E582 IonicContact NZ-OE1 3.37Å; K530-E582 PolarHBondContact NZ-OE1 3.16Å; Q533-E582 PolarHBondContact NE2-OE1 3.2Å; Y556-E582 PolarHBondContact OH-OE2 3.42Å; D579-E582 VanDerWaalsContact C-OE2 3.25Å; D579-E582 VanDerWaalsContact CA-OE2 3.32Å; D579-E582 WeakPolarHBondContact CA-OE2 3.4Å; D579-E582 PolarHBondContact O-N 3.47Å
583	R	88.5	Confident	92	Very high	72 Å²	72	37.5 Å²	37.5	27%	0.272	19%	0.189	S	C	.	.	H	α-helix	trans	-72.4	-26	175.6	-74.9	-168.8	-75.7	157.4	-13.5	114.1	L339 N340 D579 L581	L339-R583 HydrophobicContact CD1-CB 4.26Å; L339-R583 HydrophobicContact CD1-CG 4.31Å; N340-R583 PolarHBondContact OD1-NH1 3.24Å; D579-R583 WeakPolarHBondContact O-CB 3.49Å; D579-R583 WeakPolarHBondContact O-CG 3.26Å; D579-R583 PolarHBondContact O-N 3.33Å; D579-R583 IonicContact OD1-CZ 3.89Å; D579-R583 VanDerWaalsContact OD1-CZ 3.27Å; D579-R583 IonicContact OD1-NE 3.63Å; D579-R583 PolarHBondContact OD1-NE 3.03Å; D579-R583 IonicContact OD1-NH2 2.78Å; D579-R583 PolarHBondContact OD1-NH2 2.93Å; D579-R583 VanDerWaalsContact OD2-CD 3.25Å; D579-R583 WeakPolarHBondContact OD2-CD 3.11Å; D579-R583 IonicContact OD2-CZ 2.72Å; D579-R583 IonicContact OD2-NE 3.99Å; D579-R583 PolarHBondContact OD2-NE 3.49Å; D579-R583 IonicContact OD2-NH2 3.67Å; L581-R583 VanDerWaalsContact C-N 3.35Å
584	K	90.1	Very high	91.8	Very high	11 Å²	11	37.2 Å²	37.2	5%	0.048	19%	0.187	C	C	.	.	H	α-helix	trans	-105.7	-13.1	-174.4	-67.4	-169.9	174.6	-167.8	0	115.6	Y334 L335 D336 E552 V580 L581	Y334-K584 WeakPolarHBondContact CA-O 3.21Å; Y334-K584 HydrophobicContact CD2-CB 4.17Å; Y334-K584 HydrophobicContact CE2-CB 3.7Å; Y334-K584 HydrophobicContact CE2-CD 4.05Å; Y334-K584 HydrophobicContact CE2-CG 4.5Å; Y334-K584 WeakPolarHBondContact OH-CD 3.45Å; L335-K584 PolarHBondContact N-O 3.47Å; D336-K584 IonicContact OD1-NZ 3.1Å; D336-K584 PolarHBondContact OD1-NZ 3.05Å; E552-K584 WeakPolarHBondContact OE2-CE 3.11Å; E552-K584 IonicContact OE2-NZ 3.45Å; E552-K584 PolarHBondContact OE2-NZ 3.04Å; V580-K584 HydrophobicContact CG1-CD 4.42Å; V580-K584 WeakPolarHBondContact O-CB 3.49Å; V580-K584 WeakPolarHBondContact O-CG 3.44Å; V580-K584 PolarHBondContact O-N 3.48Å; V580-K584 VanDerWaalsContact O-N 3.15Å; L581-K584 PolarHBondContact O-N 3.18Å
585	L	92.5	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	150	179.2	-66.1	174.7	0	0	0	112.7	I279 I333 Y334 G382 W527 P528 W532 W536 L581	I279-L585 HydrophobicContact CD1-CD2 3.63Å; I333-L585 WeakPolarHBondContact O-CA 3.49Å; Y334-L585 HydrophobicContact CD2-CD2 3.88Å; G382-L585 PolarHBondContact N-O 3.1Å; W527-L585 HydrophobicContact CH2-CB 4.28Å; W527-L585 HydrophobicContact CH2-CD1 4.44Å; W527-L585 HydrophobicContact CZ3-CB 3.76Å; P528-L585 HydrophobicContact CG-CD1 4.22Å; W532-L585 HydrophobicContact CZ3-CD1 4.13Å; W536-L585 HydrophobicContact CE3-CD1 4.34Å; W536-L585 HydrophobicContact CH2-CD1 3.93Å; W536-L585 HydrophobicContact CH2-CD2 3.85Å; W536-L585 HydrophobicContact CH2-CG 4.45Å; W536-L585 HydrophobicContact CZ2-CD1 4.4Å; W536-L585 HydrophobicContact CZ2-CD2 4.22Å; W536-L585 HydrophobicContact CZ3-CD1 3.9Å; L581-L585 HydrophobicContact CB-CD1 4.23Å; L581-L585 HydrophobicContact CD2-CD1 3.95Å; L581-L585 HydrophobicContact CD2-CG 4.41Å; L581-L585 VanDerWaalsContact O-CB 3.23Å; L581-L585 WeakPolarHBondContact O-CB 3.41Å; L581-L585 PolarHBondContact O-N 3.47Å
586	L	94.9	Very high	91.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	138.5	173.3	155.8	67.2	0	0	0	107.9	I333 A359 L379	I333-L586 HydrophobicContact CB-CB 4.27Å; I333-L586 HydrophobicContact CB-CD2 4.33Å; I333-L586 HydrophobicContact CB-CG 4.37Å; I333-L586 HydrophobicContact CD1-CD2 3.92Å; I333-L586 HydrophobicContact CD1-CG 4.43Å; I333-L586 PolarHBondContact N-O 3.28Å; I333-L586 PolarHBondContact O-N 3.15Å; I333-L586 VanDerWaalsContact O-N 3.1Å; A359-L586 HydrophobicContact CB-CD2 3.73Å; L379-L586 HydrophobicContact CB-CD1 3.96Å; L379-L586 HydrophobicContact CB-CD2 3.52Å; L379-L586 HydrophobicContact CB-CG 4.4Å; L379-L586 HydrophobicContact CD1-CD2 4.01Å; L379-L586 HydrophobicContact CG-CD2 4.45Å
587	A	96.6	Very high	92.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	144.4	171.6	0	0	0	0	0	111.5	M331 Y332 T383 L384 T385 W527	M331-A587 WeakPolarHBondContact O-CA 3.3Å; Y332-A587 HydrophobicContact CD1-CB 3.85Å; Y332-A587 HydrophobicContact CE1-CB 4.2Å; T383-A587 PolarHBondContact O-N 3.38Å; L384-A587 WeakPolarHBondContact CA-O 3.32Å; L384-A587 HydrophobicContact CB-CB 4.28Å; L384-A587 HydrophobicContact CD1-CB 3.6Å; T385-A587 PolarHBondContact N-O 3.43Å; W527-A587 HydrophobicContact CD2-CB 3.8Å; W527-A587 HydrophobicContact CE3-CB 3.6Å; W527-A587 HydrophobicContact CH2-CB 3.81Å; W527-A587 HydrophobicContact CZ2-CB 3.97Å; W527-A587 HydrophobicContact CZ3-CB 3.61Å
588	I	97.4	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.5	175.1	-45.1	175.7	0	0	0	108.6	I199 E330 M331 I333 I361 L379 T385 L387 I590	I199-I588 HydrophobicContact CD1-CD1 4.1Å; I199-I588 HydrophobicContact CG1-CD1 4.47Å; E330-I588 CarbonylContact C-O 3.56Å; E330-I588 WeakPolarHBondContact CA-O 3.29Å; M331-I588 PolarHBondContact N-O 3.1Å; M331-I588 PolarHBondContact O-N 2.81Å; I333-I588 HydrophobicContact CD1-CD1 3.58Å; I333-I588 HydrophobicContact CD1-CG1 4.26Å; I361-I588 HydrophobicContact CD1-CD1 4.07Å; I361-I588 HydrophobicContact CD1-CG2 4.16Å; L379-I588 HydrophobicContact CD1-CD1 3.33Å; L379-I588 HydrophobicContact CD1-CG1 3.82Å; T385-I588 CarbonylContact O-C 3.59Å; T385-I588 WeakPolarHBondContact O-CA 3.27Å; L387-I588 HydrophobicContact CD1-CG2 4.33Å; I588-I590 HydrophobicContact CG2-CD1 4.41Å; I588-I590 HydrophobicContact CG2-CG1 3.76Å
589	L	97.3	Very high	92.7	Very high	47 Å²	47	31.4 Å²	31.4	25%	0.246	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	103.3	167.7	177.9	61.9	0	0	0	109.5	N328 E330 L384 T385 E386 L387	N328-L589 HydrophobicContact CB-CD1 4.07Å; E330-L589 HydrophobicContact CB-CD1 4.36Å; L384-L589 HydrophobicContact CD1-CB 4.18Å; T385-L589 PolarHBondContact O-N 2.9Å; E386-L589 CarbonylContact C-O 3.51Å; E386-L589 VanDerWaalsContact CA-O 3.27Å; E386-L589 WeakPolarHBondContact CA-O 3.32Å; E386-L589 HydrophobicContact CB-CB 4.48Å; E386-L589 HydrophobicContact CG-CD2 4.41Å; E386-L589 HydrophobicContact CG-CG 4.49Å; L387-L589 PolarHBondContact N-O 3.01Å
590	I	97.5	Very high	93	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.2	176.9	-49	173.3	0	0	0	107.3	F194 V197 N328 I329 I361 L389 I588	F194-I590 HydrophobicContact CE1-CG2 4.49Å; F194-I590 HydrophobicContact CZ-CG2 3.95Å; V197-I590 HydrophobicContact CB-CD1 4.24Å; V197-I590 HydrophobicContact CG1-CD1 3.61Å; V197-I590 HydrophobicContact CG2-CD1 3.6Å; N328-I590 CarbonylContact C-O 3.51Å; N328-I590 WeakPolarHBondContact CA-O 3.25Å; N328-I590 VanDerWaalsContact CB-O 3.23Å; N328-I590 WeakPolarHBondContact CB-O 3.46Å; I329-I590 PolarHBondContact N-O 3.29Å; I329-I590 PolarHBondContact O-N 2.91Å; I361-I590 HydrophobicContact CD1-CD1 3.68Å; I361-I590 HydrophobicContact CD1-CG1 4.3Å; L389-I590 HydrophobicContact CD1-CG2 3.88Å; L389-I590 HydrophobicContact CD2-CG2 3.99Å; L389-I590 HydrophobicContact CG-CG2 3.98Å; I588-I590 HydrophobicContact CG2-CD1 4.41Å; I588-I590 HydrophobicContact CG2-CG1 3.76Å
591	N	95.7	Very high	93.4	Very high	37 Å²	37	31.7 Å²	31.7	20%	0.198	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.6	-166.7	-172	11.1	0	0	0	110.4	E386 L387 R388 L389 P593	E386-N591 HydrophobicContact CG-CB 4.49Å; E386-N591 PolarHBondContact OE1-ND2 3.11Å; L387-N591 PolarHBondContact O-N 2.91Å; R388-N591 WeakPolarHBondContact CA-O 3.45Å; L389-N591 PolarHBondContact N-O 3.43Å; N591-P593 WeakPolarHBondContact O-CD 3.31Å
592	R	94.8	Very high	93.6	Very high	6 Å²	6	32.8 Å²	32.8	2%	0.023	16%	0.16	C	C	.	.			trans	-97.8	99	167.3	175.5	166.6	63.2	150.9	3.7	107.4	S192 F194 S324 I326 T327 N594	S192-R592 PolarHBondContact O-NH1 3.36Å; F194-R592 HydrophobicContact CD2-CB 4.33Å; F194-R592 HydrophobicContact CE2-CB 4.05Å; S324-R592 PolarHBondContact O-NH1 2.94Å; S324-R592 VanDerWaalsContact O-NH1 3.11Å; S324-R592 PolarHBondContact O-NH2 2.72Å; I326-R592 VanDerWaalsContact O-CZ 3.24Å; I326-R592 PolarHBondContact O-NE 3.21Å; I326-R592 PolarHBondContact O-NH2 3.07Å; T327-R592 PolarHBondContact O-N 2.93Å; R592-N594 VanDerWaalsContact C-N 3.33Å; R592-N594 WeakPolarHBondContact CG-O 3.12Å; R592-N594 PolarHBondContact O-N 3.37Å
593	P	90.8	Very high	93.7	Very high	74 Å²	74	33.8 Å²	33.8	48%	0.481	16%	0.164	S	C	.	.			trans	-70.5	-28.4	-167.5	28.6	-35.6	0	0	0	113.3	L389 N591	L389-P593 WeakPolarHBondContact O-CD 3.46Å; N591-P593 WeakPolarHBondContact O-CD 3.31Å
594	N	89.5	Confident	94	Very high	70 Å²	70	33.2 Å²	33.2	37%	0.374	17%	0.166	S	C	.	.			trans	-148	173.2	175.9	59.4	-0.1	0	0	0	110.3	R592 D596	R592-N594 VanDerWaalsContact C-N 3.33Å; R592-N594 WeakPolarHBondContact CG-O 3.12Å; R592-N594 PolarHBondContact O-N 3.37Å; N594-D596 VanDerWaalsContact C-N 3.28Å; N594-D596 WeakPolarHBondContact ND2-CB 3.42Å; N594-D596 VanDerWaalsContact ND2-CG 3.26Å; N594-D596 PolarHBondContact ND2-OD2 2.92Å
595	F	90.5	Very high	94.1	Very high	52 Å²	52	35.4 Å²	35.4	23%	0.228	18%	0.18	C	C	.	.	S	Bend	trans	-98.2	31.7	176.5	-69.4	-111.2	0	0	0	110.6	H189 T190 L286 S324 T327	H189-F595 CarbonylContact C-O 3.59Å; H189-F595 WeakPolarHBondContact CA-O 3.45Å; H189-F595 PolarHBondContact N-O 3.42Å; T190-F595 PolarHBondContact N-O 3.46Å; L286-F595 HydrophobicContact CD1-CE2 4.01Å; L286-F595 HydrophobicContact CD1-CZ 3.62Å; L286-F595 HydrophobicContact CG-CZ 4.38Å; S324-F595 WeakPolarHBondContact O-CE1 3.04Å; T327-F595 HydrophobicContact CG2-CZ 4.45Å
596	D	92.7	Very high	94	Very high	36 Å²	36	35.8 Å²	35.8	19%	0.193	18%	0.182	C	C	.	.			trans	-94	132	-178.2	-64.2	-6.8	0	0	0	109.9	V186 L187 R188 H189 N594	V186-D596 HydrophobicContact CG1-CB 4.11Å; L187-D596 WeakPolarHBondContact O-CA 3.39Å; R188-D596 WeakPolarHBondContact CA-OD1 3.42Å; H189-D596 PolarHBondContact N-OD1 3.13Å; N594-D596 VanDerWaalsContact C-N 3.28Å; N594-D596 WeakPolarHBondContact ND2-CB 3.42Å; N594-D596 VanDerWaalsContact ND2-CG 3.26Å; N594-D596 PolarHBondContact ND2-OD2 2.92Å
597	V	93.8	Very high	93.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123	-177.8	-178.6	0	0	0	0	109.1	L187 T190 E393 Y516 K599	L187-V597 PolarHBondContact N-O 2.98Å; L187-V597 PolarHBondContact O-N 3.36Å; T190-V597 HydrophobicContact CG2-CB 4.46Å; T190-V597 HydrophobicContact CG2-CG2 4.05Å; E393-V597 HydrophobicContact CB-CG1 3.75Å; Y516-V597 HydrophobicContact CE1-CG1 4.39Å; V597-K599 PolarHBondContact O-N 2.91Å
598	R	94.6	Very high	93.7	Very high	100 Å²	100	42.5 Å²	42.5	38%	0.377	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	112	169.9	-60	179	-177.7	166.8	1	107.7	R185 S390 I391 I392 E393 E519	R185-R598 CarbonylContact O-C 3.52Å; R185-R598 WeakPolarHBondContact O-CA 3.31Å; S390-R598 PolarHBondContact OG-NH2 3.2Å; I391-R598 PolarHBondContact O-N 2.84Å; I392-R598 CarbonylContact C-O 3.59Å; I392-R598 VanDerWaalsContact CA-O 3.24Å; I392-R598 WeakPolarHBondContact CA-O 3.4Å; I392-R598 HydrophobicContact CG1-CB 4.18Å; I392-R598 WeakPolarHBondContact CG2-O 3.14Å; E393-R598 PolarHBondContact N-O 3.35Å; E519-R598 IonicContact OE2-NH1 2.7Å; E519-R598 PolarHBondContact OE2-NH1 3.44Å
599	K	94.6	Very high	93.5	Very high	31 Å²	31	47.6 Å²	47.6	14%	0.135	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	114.6	176.7	-172.3	178.3	-166.5	102.7	0	109.5	R185 L187 E393 V597 E601	R185-K599 HydrophobicContact CB-CB 4.17Å; R185-K599 PolarHBondContact N-O 3.31Å; R185-K599 PolarHBondContact O-N 3.44Å; L187-K599 HydrophobicContact CD1-CB 4.33Å; L187-K599 HydrophobicContact CD1-CD 4.01Å; L187-K599 HydrophobicContact CG-CB 4.31Å; E393-K599 WeakPolarHBondContact O-CA 3.38Å; E393-K599 IonicContact OE1-NZ 2.82Å; E393-K599 PolarHBondContact OE1-NZ 2.94Å; E393-K599 WeakPolarHBondContact OE2-CD 3.5Å; E393-K599 WeakPolarHBondContact OE2-CE 3.33Å; E393-K599 WeakPolarHBondContact OE2-CG 3.42Å; E393-K599 IonicContact OE2-NZ 2.75Å; E393-K599 PolarHBondContact OE2-NZ 3.44Å; V597-K599 PolarHBondContact O-N 2.91Å; K599-E601 HydrophobicContact CG-CB 4.36Å
600	V	94.3	Very high	93.3	Very high	53 Å²	53	47.1 Å²	47.1	32%	0.321	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	95.2	175.8	179.3	0	0	0	0	107	H182 I392 E393 N394 I395	H182-V600 HydrophobicContact CB-CG1 4.35Å; I392-V600 HydrophobicContact CG2-CB 4.31Å; I392-V600 HydrophobicContact CG2-CG2 3.78Å; E393-V600 PolarHBondContact O-N 2.87Å; N394-V600 WeakPolarHBondContact CA-O 3.45Å; I395-V600 PolarHBondContact N-O 3.08Å
601	E	94.5	Very high	93.2	Very high	37 Å²	37	48.4 Å²	48.4	17%	0.173	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.5	-173.1	-173.1	-164.4	160.5	0	0	109.7	P183 R185 I395 K599 K603	P183-E601 WeakPolarHBondContact CD-O 3.27Å; R185-E601 IonicContact NH1-OE2 2.69Å; R185-E601 PolarHBondContact NH1-OE2 2.96Å; I395-E601 HydrophobicContact CB-CB 4.48Å; I395-E601 HydrophobicContact CB-CG 4.17Å; I395-E601 HydrophobicContact CG2-CG 4.36Å; K599-E601 HydrophobicContact CG-CB 4.36Å; E601-K603 HydrophobicContact CG-CG 4.44Å; E601-K603 PolarHBondContact O-N 2.9Å; E601-K603 IonicContact OE1-NZ 3.61Å; E601-K603 PolarHBondContact OE1-NZ 3.29Å; E601-K603 WeakPolarHBondContact OE2-CE 3.34Å; E601-K603 IonicContact OE2-NZ 3.2Å; E601-K603 PolarHBondContact OE2-NZ 3.46Å
602	E	94.3	Very high	93	Very high	22 Å²	22	51.9 Å²	51.9	10%	0.103	28%	0.277	C	S	.	.			trans	-67.4	117.6	170.5	-77.3	171	-167.4	0	0	110.5	V180 H182 I395 Q396 Q397	V180-E602 HydrophobicContact CB-CB 4.4Å; V180-E602 HydrophobicContact CG2-CG 4.19Å; H182-E602 WeakPolarHBondContact CE1-CG 3.37Å; H182-E602 IonicContact CE1-OE1 2.96Å; H182-E602 WeakPolarHBondContact ND1-CG 3.19Å; I395-E602 PolarHBondContact O-N 3.19Å; Q396-E602 VanDerWaalsContact CA-OE2 3.28Å; Q396-E602 WeakPolarHBondContact CA-OE2 3.27Å; Q396-E602 WeakPolarHBondContact CB-OE2 3.38Å; Q396-E602 WeakPolarHBondContact CG-OE1 3.43Å; Q397-E602 HydrophobicContact CG-CB 3.84Å; Q397-E602 PolarHBondContact N-OE2 3.07Å; Q397-E602 PolarHBondContact NE2-O 3.19Å
603	K	93.1	Very high	93	Very high	61 Å²	61	55.8 Å²	55.8	27%	0.265	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.9	172.1	-61.4	-171.3	-169.8	-74.5	0	110.7	V180 I181 P183 E601 V605	V180-K603 CarbonylContact C-O 3.55Å; V180-K603 VanDerWaalsContact CA-O 3.28Å; V180-K603 WeakPolarHBondContact CA-O 3.29Å; I181-K603 HydrophobicContact CG1-CB 4.29Å; I181-K603 WeakPolarHBondContact CG1-O 3.45Å; I181-K603 PolarHBondContact N-O 2.87Å; I181-K603 PolarHBondContact O-N 3.32Å; P183-K603 HydrophobicContact CG-CD 3.84Å; P183-K603 HydrophobicContact CG-CG 4.2Å; E601-K603 HydrophobicContact CG-CG 4.44Å; E601-K603 PolarHBondContact O-N 2.9Å; E601-K603 IonicContact OE1-NZ 3.61Å; E601-K603 PolarHBondContact OE1-NZ 3.29Å; E601-K603 WeakPolarHBondContact OE2-CE 3.34Å; E601-K603 IonicContact OE2-NZ 3.2Å; E601-K603 PolarHBondContact OE2-NZ 3.46Å; K603-V605 PolarHBondContact O-N 2.92Å
604	I	93.5	Very high	93.2	Very high	60 Å²	60	56.1 Å²	56.1	31%	0.308	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.4	176.1	-62.6	167.9	0	0	0	109.8	Y401	Y401-I604 HydrophobicContact CD1-CB 4.36Å; Y401-I604 HydrophobicContact CD1-CD1 4.27Å; Y401-I604 HydrophobicContact CD1-CG1 3.75Å; Y401-I604 HydrophobicContact CD1-CG2 3.97Å; Y401-I604 HydrophobicContact CD2-CD1 3.83Å; Y401-I604 HydrophobicContact CD2-CG1 4.13Å; Y401-I604 HydrophobicContact CE1-CB 4.22Å; Y401-I604 HydrophobicContact CE1-CD1 4.17Å; Y401-I604 HydrophobicContact CE1-CG1 3.92Å; Y401-I604 HydrophobicContact CE1-CG2 3.39Å; Y401-I604 HydrophobicContact CE2-CD1 3.71Å; Y401-I604 HydrophobicContact CE2-CG1 4.28Å; Y401-I604 HydrophobicContact CG-CD1 4.11Å; Y401-I604 HydrophobicContact CG-CG1 3.87Å
605	V	92.4	Very high	93.5	Very high	57 Å²	57	53.9 Å²	53.9	35%	0.345	29%	0.289	S	S	.	.	S	Bend	trans	-69.4	-41.9	179.1	173.3	0	0	0	0	112	N179 I181 K603	N179-V605 HydrophobicContact CB-CB 4.4Å; N179-V605 HydrophobicContact CB-CG2 4.16Å; N179-V605 WeakPolarHBondContact O-CB 3.22Å; N179-V605 WeakPolarHBondContact O-CG2 3.28Å; N179-V605 PolarHBondContact O-N 2.85Å; I181-V605 HydrophobicContact CB-CG2 4.27Å; I181-V605 HydrophobicContact CG1-CG2 4Å; I181-V605 HydrophobicContact CG2-CG2 3.62Å; K603-V605 PolarHBondContact O-N 2.92Å
606	L	92	Very high	93.6	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.042	30%	0.296	C	S	.	.	S	Bend	trans	-131.4	91.3	-175.1	-173.5	60.3	0	0	0	110.6	L171 Q174 Y175 L611 Q614	L171-L606 HydrophobicContact CD1-CD1 4.3Å; L171-L606 HydrophobicContact CD1-CD2 3.68Å; Q174-L606 HydrophobicContact CB-CD2 4.42Å; Q174-L606 HydrophobicContact CG-CD2 4.32Å; Y175-L606 HydrophobicContact CD2-CD2 4.26Å; Y175-L606 HydrophobicContact CD2-CG 4.13Å; L606-L611 HydrophobicContact CD2-CD1 4.48Å; L606-L611 HydrophobicContact CG-CB 4.49Å; L606-Q614 VanDerWaalsContact CD1-NE2 3.27Å
607	S	92.7	Very high	93.6	Very high	41 Å²	41	52.8 Å²	52.8	29%	0.287	30%	0.301	S	S	.	.			trans	-67.5	159.5	172.7	66.8	0	0	0	0	111.6	T609 S610 L611	S607-T609 PolarHBondContact O-N 3.32Å; S607-T609 PolarHBondContact OG-OG1 3.04Å; S607-S610 PolarHBondContact O-N 3.4Å; S607-S610 WeakPolarHBondContact OG-CB 3.25Å; S607-S610 PolarHBondContact OG-N 2.9Å; S607-L611 PolarHBondContact O-N 3.42Å
608	L	92.3	Very high	93.7	Very high	99 Å²	99	54.2 Å²	54.2	52%	0.518	31%	0.309	S	S	.	.	H	α-helix	trans	-55.8	-36	171.8	179.5	60.8	0	0	0	112.4	L611 L612	L608-L611 HydrophobicContact CD1-CD2 4.29Å; L608-L611 PolarHBondContact O-N 3.45Å; L608-L612 HydrophobicContact CD1-CD1 4.38Å; L608-L612 HydrophobicContact CD1-CG 4.4Å; L608-L612 HydrophobicContact CG-CD1 4.24Å; L608-L612 WeakPolarHBondContact O-CB 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.28Å; L608-L612 PolarHBondContact O-N 3.42Å
609	T	93.4	Very high	93.6	Very high	107 Å²	107	53.1 Å²	53.1	66%	0.656	31%	0.306	S	S	*	.	H	α-helix	trans	-67.9	-38	175.3	51.6	0	0	0	0	112.7	S607 S613	S607-T609 PolarHBondContact O-N 3.32Å; S607-T609 PolarHBondContact OG-OG1 3.04Å; T609-S613 WeakPolarHBondContact O-CB 3.35Å; T609-S613 PolarHBondContact O-N 3.27Å
610	S	92.8	Very high	93.5	Very high	38 Å²	38	54.2 Å²	54.2	27%	0.266	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-38.9	175.2	-174.2	0	0	0	0	111.4	S607 S613 Q614	S607-S610 PolarHBondContact O-N 3.4Å; S607-S610 WeakPolarHBondContact OG-CB 3.25Å; S607-S610 PolarHBondContact OG-N 2.9Å; S610-S613 PolarHBondContact O-N 3.38Å; S610-Q614 WeakPolarHBondContact O-CB 3.41Å; S610-Q614 VanDerWaalsContact O-CG 3.31Å; S610-Q614 WeakPolarHBondContact O-CG 3.26Å; S610-Q614 PolarHBondContact O-N 2.96Å; S610-Q614 PolarHBondContact OG-NE2 3.09Å
611	L	93.9	Very high	93.4	Very high	27 Å²	27	56.5 Å²	56.5	14%	0.141	33%	0.328	C	S	.	.	H	α-helix	trans	-58.9	-49.5	171.3	178.2	68.1	0	0	0	111.7	L171 Y175 L606 S607 L608 S613 Q614 T615	L171-L611 HydrophobicContact CD1-CD1 4.25Å; L171-L611 HydrophobicContact CD2-CD1 4.02Å; L171-L611 HydrophobicContact CG-CD1 3.72Å; Y175-L611 HydrophobicContact CD1-CD2 3.86Å; Y175-L611 HydrophobicContact CD2-CB 4.36Å; Y175-L611 HydrophobicContact CD2-CD2 3.9Å; Y175-L611 HydrophobicContact CE1-CD2 3.98Å; Y175-L611 HydrophobicContact CE2-CD2 4.01Å; Y175-L611 HydrophobicContact CG-CD2 3.81Å; L606-L611 HydrophobicContact CD2-CD1 4.48Å; L606-L611 HydrophobicContact CG-CB 4.49Å; S607-L611 PolarHBondContact O-N 3.42Å; L608-L611 HydrophobicContact CD1-CD2 4.29Å; L608-L611 PolarHBondContact O-N 3.45Å; L611-S613 VanDerWaalsContact C-N 3.32Å; L611-S613 PolarHBondContact O-N 2.75Å; L611-Q614 PolarHBondContact O-N 3.32Å; L611-T615 HydrophobicContact CD1-CG2 4.02Å; L611-T615 HydrophobicContact CG-CG2 4.38Å; L611-T615 WeakPolarHBondContact O-CB 3.23Å; L611-T615 VanDerWaalsContact O-CG2 3.26Å; L611-T615 WeakPolarHBondContact O-CG2 3.34Å; L611-T615 PolarHBondContact O-N 3.3Å; L611-T615 PolarHBondContact O-OG1 3.19Å
612	L	93	Very high	93.3	Very high	111 Å²	111	57 Å²	57	58%	0.581	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-37.5	178	-73	170.3	0	0	0	112.4	L608 T615 G616	L608-L612 HydrophobicContact CD1-CD1 4.38Å; L608-L612 HydrophobicContact CD1-CG 4.4Å; L608-L612 HydrophobicContact CG-CD1 4.24Å; L608-L612 WeakPolarHBondContact O-CB 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.28Å; L608-L612 PolarHBondContact O-N 3.42Å; L612-T615 WeakPolarHBondContact CA-OG1 3.29Å; L612-T615 PolarHBondContact O-OG1 3.48Å; L612-T615 VanDerWaalsContact O-OG1 3.13Å; L612-G616 PolarHBondContact O-N 2.96Å; L612-G616 VanDerWaalsContact O-N 3.1Å
613	S	94.2	Very high	93.1	Very high	88 Å²	88	57.2 Å²	57.2	62%	0.615	33%	0.33	S	S	*	.	H	α-helix	trans	-64.8	-48.5	174.4	-172.8	0	0	0	0	112.1	T609 S610 L611 G616 G617	T609-S613 WeakPolarHBondContact O-CB 3.35Å; T609-S613 PolarHBondContact O-N 3.27Å; S610-S613 PolarHBondContact O-N 3.38Å; L611-S613 VanDerWaalsContact C-N 3.32Å; L611-S613 PolarHBondContact O-N 2.75Å; S613-G616 PolarHBondContact O-N 2.94Å; S613-G617 PolarHBondContact O-N 3.28Å
614	Q	95.5	Very high	92.8	Very high	81 Å²	81	54.7 Å²	54.7	38%	0.379	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-40.2	-178.1	-71.4	179.5	55.6	0	0	112.8	L171 L606 S610 L611 G617 L618	L171-Q614 HydrophobicContact CD1-CB 4.34Å; L171-Q614 HydrophobicContact CD2-CB 3.75Å; L606-Q614 VanDerWaalsContact CD1-NE2 3.27Å; S610-Q614 WeakPolarHBondContact O-CB 3.41Å; S610-Q614 VanDerWaalsContact O-CG 3.31Å; S610-Q614 WeakPolarHBondContact O-CG 3.26Å; S610-Q614 PolarHBondContact O-N 2.96Å; S610-Q614 PolarHBondContact OG-NE2 3.09Å; L611-Q614 PolarHBondContact O-N 3.32Å; Q614-G617 PolarHBondContact O-N 2.87Å; Q614-L618 WeakPolarHBondContact O-CG 3.21Å; Q614-L618 PolarHBondContact O-N 3.26Å
615	T	94.6	Very high	92.6	Very high	22 Å²	22	54.2 Å²	54.2	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-42.3	173.5	51.4	0	0	0	0	111.4	M168 L171 L611 L612 G617 L618 F619	M168-T615 HydrophobicContact CE-CG2 3.55Å; M168-T615 HydrophobicContact SD-CG2 3.66Å; L171-T615 HydrophobicContact CD2-CG2 3.67Å; L611-T615 HydrophobicContact CD1-CG2 4.02Å; L611-T615 HydrophobicContact CG-CG2 4.38Å; L611-T615 WeakPolarHBondContact O-CB 3.23Å; L611-T615 VanDerWaalsContact O-CG2 3.26Å; L611-T615 WeakPolarHBondContact O-CG2 3.34Å; L611-T615 PolarHBondContact O-N 3.3Å; L611-T615 PolarHBondContact O-OG1 3.19Å; L612-T615 WeakPolarHBondContact CA-OG1 3.29Å; L612-T615 PolarHBondContact O-OG1 3.48Å; L612-T615 VanDerWaalsContact O-OG1 3.13Å; T615-G617 PolarHBondContact O-N 3.42Å; T615-L618 PolarHBondContact O-N 3.43Å; T615-F619 WeakPolarHBondContact O-CD2 3.38Å; T615-F619 WeakPolarHBondContact O-CG 3.42Å; T615-F619 PolarHBondContact O-N 3.41Å
616	G	92.8	Very high	92.5	Very high	36 Å²	36	53.7 Å²	53.7	37%	0.371	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-41.2	171.3	0	0	0	0	0	113.2	L612 S613 S620	L612-G616 PolarHBondContact O-N 2.96Å; L612-G616 VanDerWaalsContact O-N 3.1Å; S613-G616 PolarHBondContact O-N 2.94Å; G616-S620 VanDerWaalsContact O-CB 3.27Å; G616-S620 WeakPolarHBondContact O-CB 3.37Å; G616-S620 PolarHBondContact O-N 3.12Å
617	G	94	Very high	92.3	Very high	29 Å²	29	60.9 Å²	60.9	30%	0.299	35%	0.352	S	S	.	.	H	α-helix	trans	-59.5	-48.8	172.6	0	0	0	0	0	112.7	S613 Q614 T615 S620 I621	S613-G617 PolarHBondContact O-N 3.28Å; Q614-G617 PolarHBondContact O-N 2.87Å; T615-G617 PolarHBondContact O-N 3.42Å; G617-S620 PolarHBondContact O-N 3.18Å; G617-I621 WeakPolarHBondContact O-CB 3.43Å; G617-I621 VanDerWaalsContact O-CG1 3.28Å; G617-I621 WeakPolarHBondContact O-CG1 3.39Å; G617-I621 PolarHBondContact O-N 3.48Å
618	L	94.7	Very high	92.2	Very high	31 Å²	31	64.7 Å²	64.7	16%	0.162	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-48.4	177.1	-72.3	171.4	0	0	0	111.8	C167 M168 L171 Q614 T615 S620 I621 W622	C167-L618 HydrophobicContact CB-CD1 3.94Å; C167-L618 HydrophobicContact CB-CD2 3.64Å; C167-L618 HydrophobicContact CB-CG 4.44Å; M168-L618 HydrophobicContact CG-CD1 4.25Å; M168-L618 HydrophobicContact SD-CB 4.32Å; M168-L618 HydrophobicContact SD-CD1 3.82Å; L171-L618 HydrophobicContact CD2-CD1 3.86Å; Q614-L618 WeakPolarHBondContact O-CG 3.21Å; Q614-L618 PolarHBondContact O-N 3.26Å; T615-L618 PolarHBondContact O-N 3.43Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 3.35Å; L618-I621 PolarHBondContact O-N 2.94Å; L618-W622 WeakPolarHBondContact O-CB 3.47Å; L618-W622 VanDerWaalsContact O-CD1 3.28Å; L618-W622 PolarHBondContact O-N 2.87Å
619	F	93.3	Very high	92.1	Very high	76 Å²	76	60 Å²	60	33%	0.333	34%	0.344	S	S	.	.	I	π-helix	trans	-61.4	-40.1	177.5	-72	-46.6	0	0	0	112.8	M168 T615 I623 G624 L625	M168-F619 HydrophobicContact CE-CE1 4.43Å; M168-F619 HydrophobicContact CE-CE2 4Å; M168-F619 HydrophobicContact CE-CZ 3.65Å; M168-F619 HydrophobicContact SD-CE1 4.47Å; M168-F619 HydrophobicContact SD-CE2 4.4Å; M168-F619 HydrophobicContact SD-CZ 4.14Å; T615-F619 WeakPolarHBondContact O-CD2 3.38Å; T615-F619 WeakPolarHBondContact O-CG 3.42Å; T615-F619 PolarHBondContact O-N 3.41Å; F619-I623 HydrophobicContact CD1-CD1 4.38Å; F619-I623 CarbonylContact O-C 3.45Å; F619-I623 PolarHBondContact O-N 2.92Å; F619-G624 PolarHBondContact O-N 2.95Å; F619-L625 HydrophobicContact CB-CB 4.04Å; F619-L625 HydrophobicContact CD1-CD1 4.39Å; F619-L625 PolarHBondContact O-N 3.3Å
620	S	92.6	Very high	91.8	Very high	54 Å²	54	58.4 Å²	58.4	38%	0.378	33%	0.331	S	S	.	.	I	π-helix	trans	-70.3	-32.3	177.2	-177.7	0	0	0	0	113.4	R136 G616 G617 L618 G624	R136-S620 VanDerWaalsContact CZ-O 3.27Å; R136-S620 PolarHBondContact NH1-O 3.02Å; R136-S620 PolarHBondContact NH2-O 2.98Å; G616-S620 VanDerWaalsContact O-CB 3.27Å; G616-S620 WeakPolarHBondContact O-CB 3.37Å; G616-S620 PolarHBondContact O-N 3.12Å; G617-S620 PolarHBondContact O-N 3.18Å; L618-S620 VanDerWaalsContact C-N 3.33Å; L618-S620 PolarHBondContact O-N 3.35Å; S620-G624 WeakPolarHBondContact O-CA 3.1Å
621	I	91.4	Very high	91.8	Very high	102 Å²	102	58.4 Å²	58.4	52%	0.523	34%	0.337	S	S	.	.	I	π-helix	trans	-78.6	-60.8	177.4	-70	166.5	0	0	0	110.5	R136 G617 L618	R136-I621 PolarHBondContact NH1-O 3.32Å; R136-I621 VanDerWaalsContact NH1-O 3.13Å; G617-I621 WeakPolarHBondContact O-CB 3.43Å; G617-I621 VanDerWaalsContact O-CG1 3.28Å; G617-I621 WeakPolarHBondContact O-CG1 3.39Å; G617-I621 PolarHBondContact O-N 3.48Å; L618-I621 PolarHBondContact O-N 2.94Å
622	W	92.5	Very high	91.7	Very high	46 Å²	46	58.7 Å²	58.7	17%	0.174	34%	0.338	C	S	.	.	I	π-helix	trans	-72.9	-46	-169.5	-70.4	101.8	0	0	0	113.4	F34 L160 C164 L618	F34-W622 HydrophobicContact CZ-CH2 4.42Å; L160-W622 HydrophobicContact CB-CE3 4.27Å; L160-W622 HydrophobicContact CD2-CE3 3.64Å; L160-W622 HydrophobicContact CD2-CZ3 3.95Å; L160-W622 VanDerWaalsContact O-CE3 3.29Å; C164-W622 HydrophobicContact CB-CB 3.61Å; C164-W622 HydrophobicContact CB-CD2 4.4Å; C164-W622 HydrophobicContact CB-CG 3.78Å; L618-W622 WeakPolarHBondContact O-CB 3.47Å; L618-W622 VanDerWaalsContact O-CD1 3.28Å; L618-W622 PolarHBondContact O-N 2.87Å
623	I	89.9	Confident	91.5	Very high	28 Å²	28	56.4 Å²	56.4	14%	0.144	33%	0.326	C	S	.	.	I	π-helix	trans	-107	-22	-172.4	-52.8	180	0	0	0	111.2	I135 R136 I161 C164 F619 L625	I135-I623 HydrophobicContact CG2-CG2 3.97Å; R136-I623 WeakPolarHBondContact CB-O 3.21Å; R136-I623 PolarHBondContact N-O 3.28Å; I161-I623 HydrophobicContact CG1-CD1 4.25Å; I161-I623 HydrophobicContact CG1-CG1 4.29Å; C164-I623 HydrophobicContact CB-CD1 4.21Å; C164-I623 HydrophobicContact CB-CG1 4.29Å; F619-I623 HydrophobicContact CD1-CD1 4.38Å; F619-I623 CarbonylContact O-C 3.45Å; F619-I623 PolarHBondContact O-N 2.92Å; I623-L625 VanDerWaalsContact C-N 3.25Å; I623-L625 HydrophobicContact CB-CD1 4.22Å; I623-L625 HydrophobicContact CB-CG 4.25Å; I623-L625 HydrophobicContact CD1-CD1 4.26Å; I623-L625 HydrophobicContact CG2-CD1 3.83Å; I623-L625 HydrophobicContact CG2-CG 3.78Å
624	G	88.4	Confident	91.4	Very high	7 Å²	7	58.6 Å²	58.6	7%	0.072	32%	0.324	C	S	.	.			trans	74.9	15.6	-170.5	0	0	0	0	0	113.6	F619 S620	F619-G624 PolarHBondContact O-N 2.95Å; S620-G624 WeakPolarHBondContact O-CA 3.1Å
625	L	89.4	Confident	91.2	Very high	51 Å²	51	59.1 Å²	59.1	27%	0.267	33%	0.327	S	S	.	.			trans	-66.9	132.5	175.1	-86.5	168.4	0	0	0	110.1	I135 F619 I623	I135-L625 HydrophobicContact CD1-CD2 3.93Å; I135-L625 HydrophobicContact CG1-CD2 3.79Å; I135-L625 HydrophobicContact CG1-CG 4.36Å; F619-L625 HydrophobicContact CB-CB 4.04Å; F619-L625 HydrophobicContact CD1-CD1 4.39Å; F619-L625 PolarHBondContact O-N 3.3Å; I623-L625 VanDerWaalsContact C-N 3.25Å; I623-L625 HydrophobicContact CB-CD1 4.22Å; I623-L625 HydrophobicContact CB-CG 4.25Å; I623-L625 HydrophobicContact CD1-CD1 4.26Å; I623-L625 HydrophobicContact CG2-CD1 3.83Å; I623-L625 HydrophobicContact CG2-CG 3.78Å
626	S	90	Very high	91	Very high	45 Å²	45	58.7 Å²	58.7	32%	0.315	32%	0.324	S	S	.	.			trans	-139.2	175.3	-179.8	70.1	0	0	0	0	110.8	I628 S629 L630	S626-I628 PolarHBondContact O-N 3.41Å; S626-I628 PolarHBondContact OG-N 3.22Å; S626-S629 PolarHBondContact N-OG 2.93Å; S626-S629 VanDerWaalsContact N-OG 3.08Å; S626-S629 WeakPolarHBondContact O-CB 3.26Å; S626-S629 PolarHBondContact O-N 3.08Å; S626-S629 VanDerWaalsContact O-N 3.08Å; S626-S629 PolarHBondContact OG-N 2.91Å; S626-S629 PolarHBondContact OG-OG 2.85Å; S626-L630 PolarHBondContact O-N 3.4Å
627	M	88	Confident	90.9	Very high	159 Å²	159	62.8 Å²	62.8	78%	0.783	33%	0.332	S	S	*	.	H	α-helix	trans	-60.4	-29	172	-66.9	-65	134.9	0	0	112.7	L630 G631	M627-L630 HydrophobicContact CE-CD1 3.94Å; M627-L630 HydrophobicContact SD-CD1 3.97Å; M627-G631 PolarHBondContact O-N 3.37Å; M627-G631 VanDerWaalsContact O-N 3.12Å
628	I	90.6	Very high	90.8	Very high	121 Å²	121	66.1 Å²	66.1	62%	0.621	34%	0.342	S	S	*	.	H	α-helix	trans	-68.6	-43.9	173.4	-58.9	174.9	0	0	0	110	S626 L630 G631 E632	S626-I628 PolarHBondContact O-N 3.41Å; S626-I628 PolarHBondContact OG-N 3.22Å; I628-L630 VanDerWaalsContact C-N 3.28Å; I628-L630 PolarHBondContact O-N 3.08Å; I628-G631 CarbonylContact O-C 3.51Å; I628-G631 VanDerWaalsContact O-CA 3.31Å; I628-G631 WeakPolarHBondContact O-CA 3.44Å; I628-G631 PolarHBondContact O-N 3.22Å; I628-E632 PolarHBondContact O-N 3.01Å
629	S	88.8	Confident	90.6	Very high	1 Å²	1	68.5 Å²	68.5	1%	0.007	35%	0.348	C	S	.	.	H	α-helix	trans	-64.4	-30.9	178.1	-37.2	0	0	0	0	112.7	T134 S626 L633	T134-S629 WeakPolarHBondContact OG1-CB 3.1Å; T134-S629 PolarHBondContact OG1-OG 3.28Å; S626-S629 PolarHBondContact N-OG 2.93Å; S626-S629 VanDerWaalsContact N-OG 3.08Å; S626-S629 WeakPolarHBondContact O-CB 3.26Å; S626-S629 PolarHBondContact O-N 3.08Å; S626-S629 VanDerWaalsContact O-N 3.08Å; S626-S629 PolarHBondContact OG-N 2.91Å; S626-S629 PolarHBondContact OG-OG 2.85Å; S629-L633 PolarHBondContact O-N 3.42Å; S629-L633 VanDerWaalsContact O-N 3.15Å
630	L	88.1	Confident	90.4	Very high	73 Å²	73	65.6 Å²	65.6	38%	0.382	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-39.4	168.4	-70.5	173.2	0	0	0	111.6	S626 M627 I628 L633 F634	S626-L630 PolarHBondContact O-N 3.4Å; M627-L630 HydrophobicContact CE-CD1 3.94Å; M627-L630 HydrophobicContact SD-CD1 3.97Å; I628-L630 VanDerWaalsContact C-N 3.28Å; I628-L630 PolarHBondContact O-N 3.08Å; L630-L633 WeakPolarHBondContact O-CB 3.28Å; L630-L633 PolarHBondContact O-N 3.31Å; L630-F634 WeakPolarHBondContact O-CD2 3.41Å; L630-F634 PolarHBondContact O-N 3.42Å
631	G	91.7	Very high	90.2	Very high	39 Å²	39	70.6 Å²	70.6	40%	0.402	35%	0.349	S	S	.	.	H	α-helix	trans	-57.9	-45.4	171.7	0	0	0	0	0	113	M627 I628 L633 F634 E635	M627-G631 PolarHBondContact O-N 3.37Å; M627-G631 VanDerWaalsContact O-N 3.12Å; I628-G631 CarbonylContact O-C 3.51Å; I628-G631 VanDerWaalsContact O-CA 3.31Å; I628-G631 WeakPolarHBondContact O-CA 3.44Å; I628-G631 PolarHBondContact O-N 3.22Å; G631-L633 VanDerWaalsContact C-N 3.3Å; G631-L633 PolarHBondContact O-N 2.93Å; G631-F634 PolarHBondContact O-N 3.38Å; G631-E635 PolarHBondContact O-N 2.87Å
632	E	91.9	Very high	90.1	Very high	33 Å²	33	69.8 Å²	69.8	15%	0.154	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-38.2	173.6	-64.7	163	-155.2	0	0	112.3	F129 T133 T134 I628 E635 L636	F129-E632 HydrophobicContact CE2-CB 3.87Å; T133-E632 WeakPolarHBondContact CA-OE2 3.38Å; T133-E632 WeakPolarHBondContact CB-OE2 3.38Å; T133-E632 PolarHBondContact OG1-OE2 3.12Å; T134-E632 VanDerWaalsContact CB-OE1 3.26Å; T134-E632 WeakPolarHBondContact CB-OE1 3.43Å; T134-E632 WeakPolarHBondContact CG2-OE1 3.45Å; T134-E632 PolarHBondContact N-OE1 3.32Å; T134-E632 PolarHBondContact N-OE2 3.49Å; T134-E632 VanDerWaalsContact OG1-CD 3.29Å; T134-E632 PolarHBondContact OG1-OE1 3.44Å; T134-E632 PolarHBondContact OG1-OE2 2.89Å; I628-E632 PolarHBondContact O-N 3.01Å; E632-E635 WeakPolarHBondContact O-CB 3.31Å; E632-E635 PolarHBondContact O-N 3.44Å; E632-L636 PolarHBondContact O-N 2.93Å
633	L	89.3	Confident	89.8	Confident	62 Å²	62	71.5 Å²	71.5	33%	0.325	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-39.9	177.6	-168.5	74	0	0	0	111.3	F129 S629 L630 G631 E635 L636 F637	F129-L633 HydrophobicContact CE2-CD1 4.5Å; F129-L633 HydrophobicContact CZ-CD1 4.13Å; S629-L633 PolarHBondContact O-N 3.42Å; S629-L633 VanDerWaalsContact O-N 3.15Å; L630-L633 WeakPolarHBondContact O-CB 3.28Å; L630-L633 PolarHBondContact O-N 3.31Å; G631-L633 VanDerWaalsContact C-N 3.3Å; G631-L633 PolarHBondContact O-N 2.93Å; L633-E635 VanDerWaalsContact C-N 3.35Å; L633-L636 HydrophobicContact CD1-CD2 4.29Å; L633-L636 WeakPolarHBondContact O-CB 3.43Å; L633-L636 PolarHBondContact O-N 3.15Å; L633-F637 HydrophobicContact CD1-CE2 4.42Å; L633-F637 HydrophobicContact CD2-CE2 4.02Å; L633-F637 HydrophobicContact CG-CD2 4.3Å; L633-F637 HydrophobicContact CG-CE2 3.72Å; L633-F637 HydrophobicContact CG-CZ 4.33Å; L633-F637 WeakPolarHBondContact O-CD2 3.31Å; L633-F637 PolarHBondContact O-N 2.87Å
634	F	91.9	Very high	89.6	Confident	134 Å²	134	72.3 Å²	72.3	59%	0.588	36%	0.356	S	S	*	.	H	α-helix	trans	-63.9	-39	169.9	-76.5	-65.2	0	0	0	111.9	L630 G631 F637 I638	L630-F634 WeakPolarHBondContact O-CD2 3.41Å; L630-F634 PolarHBondContact O-N 3.42Å; G631-F634 PolarHBondContact O-N 3.38Å; F634-F637 PolarHBondContact O-N 3.21Å; F634-I638 WeakPolarHBondContact O-CB 3.37Å; F634-I638 WeakPolarHBondContact O-CD1 3.45Å; F634-I638 VanDerWaalsContact O-CG1 3.26Å; F634-I638 WeakPolarHBondContact O-CG1 3.39Å; F634-I638 PolarHBondContact O-N 3.46Å
635	E	92.1	Very high	89.4	Confident	93 Å²	93	78.4 Å²	78.4	44%	0.435	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-43	175	-160.7	-168.5	150.8	0	0	111.6	G631 E632 L633 I638 R639	G631-E635 PolarHBondContact O-N 2.87Å; E632-E635 WeakPolarHBondContact O-CB 3.31Å; E632-E635 PolarHBondContact O-N 3.44Å; L633-E635 VanDerWaalsContact C-N 3.35Å; E635-I638 PolarHBondContact O-N 3.36Å; E635-R639 WeakPolarHBondContact O-CB 3.38Å; E635-R639 WeakPolarHBondContact O-CD 3.39Å; E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 2.96Å; E635-R639 IonicContact OE1-CZ 3.38Å; E635-R639 IonicContact OE1-NE 3.91Å; E635-R639 PolarHBondContact OE1-NE 2.9Å; E635-R639 IonicContact OE1-NH2 2.98Å; E635-R639 PolarHBondContact OE1-NH2 3.43Å
636	L	89.8	Confident	89.1	Confident	12 Å²	12	81.5 Å²	81.5	6%	0.063	39%	0.393	C	S	.	.	H	α-helix	trans	-57	-49.4	171.9	169	65.2	0	0	0	111.5	E125 L126 F129 E632 L633 I638 R639 C640	E125-L636 HydrophobicContact CB-CD1 3.98Å; L126-L636 HydrophobicContact CD2-CD2 3.9Å; F129-L636 HydrophobicContact CB-CD1 4.13Å; F129-L636 HydrophobicContact CB-CD2 4.21Å; F129-L636 HydrophobicContact CD1-CD2 4.15Å; F129-L636 HydrophobicContact CD2-CB 3.96Å; F129-L636 HydrophobicContact CD2-CD2 4.06Å; F129-L636 HydrophobicContact CE2-CD2 4.48Å; F129-L636 HydrophobicContact CG-CB 4.44Å; F129-L636 HydrophobicContact CG-CD2 3.88Å; E632-L636 PolarHBondContact O-N 2.93Å; L633-L636 HydrophobicContact CD1-CD2 4.29Å; L633-L636 WeakPolarHBondContact O-CB 3.43Å; L633-L636 PolarHBondContact O-N 3.15Å; L636-I638 VanDerWaalsContact C-N 3.33Å; L636-I638 PolarHBondContact O-N 2.92Å; L636-R639 PolarHBondContact O-N 3.3Å; L636-C640 WeakPolarHBondContact O-CB 3.39Å; L636-C640 PolarHBondContact O-N 3.47Å; L636-C640 PolarHBondContact O-SG 2.94Å
637	F	90.1	Very high	88.4	Confident	123 Å²	123	80.6 Å²	80.6	54%	0.539	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-41.3	178.2	-70.6	-52.1	0	0	0	112.2	L633 F634 Y641	L633-F637 HydrophobicContact CD1-CE2 4.42Å; L633-F637 HydrophobicContact CD2-CE2 4.02Å; L633-F637 HydrophobicContact CG-CD2 4.3Å; L633-F637 HydrophobicContact CG-CE2 3.72Å; L633-F637 HydrophobicContact CG-CZ 4.33Å; L633-F637 WeakPolarHBondContact O-CD2 3.31Å; L633-F637 PolarHBondContact O-N 2.87Å; F634-F637 PolarHBondContact O-N 3.21Å; F637-Y641 WeakPolarHBondContact O-CB 3.41Å; F637-Y641 PolarHBondContact O-N 3.42Å
638	I	92.2	Very high	87.6	Confident	99 Å²	99	77 Å²	77	51%	0.508	37%	0.371	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.7	-69.6	164.4	0	0	0	111	F634 E635 L636 Y641 I642	F634-I638 WeakPolarHBondContact O-CB 3.37Å; F634-I638 WeakPolarHBondContact O-CD1 3.45Å; F634-I638 VanDerWaalsContact O-CG1 3.26Å; F634-I638 WeakPolarHBondContact O-CG1 3.39Å; F634-I638 PolarHBondContact O-N 3.46Å; E635-I638 PolarHBondContact O-N 3.36Å; L636-I638 VanDerWaalsContact C-N 3.33Å; L636-I638 PolarHBondContact O-N 2.92Å; I638-Y641 PolarHBondContact O-N 2.92Å; I638-I642 HydrophobicContact CG2-CD1 3.69Å; I638-I642 HydrophobicContact CG2-CG1 4.43Å; I638-I642 VanDerWaalsContact O-CG1 3.29Å; I638-I642 WeakPolarHBondContact O-CG1 3.36Å; I638-I642 PolarHBondContact O-N 3.3Å
639	R	90.5	Very high	86.7	Confident	80 Å²	80	76.3 Å²	76.3	30%	0.302	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-47.8	177.1	-74.9	162.9	170.2	-88.1	-2.9	112.1	E125 R128 E635 L636 I642 R643	E125-R639 HydrophobicContact CG-CB 4.33Å; E125-R639 IonicContact OE2-NH1 2.72Å; R128-R639 VanDerWaalsContact NH1-NH1 3.13Å; E635-R639 WeakPolarHBondContact O-CB 3.38Å; E635-R639 WeakPolarHBondContact O-CD 3.39Å; E635-R639 WeakPolarHBondContact O-CG 3.43Å; E635-R639 PolarHBondContact O-N 2.96Å; E635-R639 IonicContact OE1-CZ 3.38Å; E635-R639 IonicContact OE1-NE 3.91Å; E635-R639 PolarHBondContact OE1-NE 2.9Å; E635-R639 IonicContact OE1-NH2 2.98Å; E635-R639 PolarHBondContact OE1-NH2 3.43Å; L636-R639 PolarHBondContact O-N 3.3Å; R639-I642 PolarHBondContact O-N 3.22Å; R639-R643 PolarHBondContact O-N 2.74Å
640	C	88.6	Confident	85.3	Confident	15 Å²	15	80.9 Å²	80.9	10%	0.101	39%	0.389	C	S	.	.	H	α-helix	trans	-58.9	-49.1	174.7	-75.5	0	0	0	0	111.3	L636 I642 R643 L644	L636-C640 WeakPolarHBondContact O-CB 3.39Å; L636-C640 PolarHBondContact O-N 3.47Å; L636-C640 PolarHBondContact O-SG 2.94Å; C640-I642 PolarHBondContact O-N 3.36Å; C640-R643 PolarHBondContact O-N 2.68Å; C640-L644 WeakPolarHBondContact O-CB 3.49Å; C640-L644 WeakPolarHBondContact O-CG 3.45Å; C640-L644 PolarHBondContact O-N 2.59Å
641	Y	89.1	Confident	83.9	Confident	160 Å²	160	81.5 Å²	81.5	63%	0.627	39%	0.393	S	S	*	.	H	α-helix	trans	-59.9	-44.7	178.9	178.1	-110.8	0	0	0	112.8	F637 I638 L644 K645	F637-Y641 WeakPolarHBondContact O-CB 3.41Å; F637-Y641 PolarHBondContact O-N 3.42Å; I638-Y641 PolarHBondContact O-N 2.92Å; Y641-L644 PolarHBondContact O-N 2.57Å; Y641-K645 WeakPolarHBondContact O-CB 3.3Å; Y641-K645 PolarHBondContact O-N 3.26Å
642	I	90	Very high	82.3	Confident	84 Å²	84	84.8 Å²	84.8	43%	0.431	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-49.6	177.2	-68.8	168.3	0	0	0	110.7	I638 R639 C640 L644 K645 H646	I638-I642 HydrophobicContact CG2-CD1 3.69Å; I638-I642 HydrophobicContact CG2-CG1 4.43Å; I638-I642 VanDerWaalsContact O-CG1 3.29Å; I638-I642 WeakPolarHBondContact O-CG1 3.36Å; I638-I642 PolarHBondContact O-N 3.3Å; R639-I642 PolarHBondContact O-N 3.22Å; C640-I642 PolarHBondContact O-N 3.36Å; I642-L644 PolarHBondContact O-N 3.47Å; I642-K645 PolarHBondContact O-N 2.73Å; I642-H646 PolarHBondContact O-CD2 3.19Å; I642-H646 VanDerWaalsContact O-CD2 3.29Å; I642-H646 PolarHBondContact O-N 2.9Å
643	R	85.7	Confident	80.5	Confident	83 Å²	83	86.4 Å²	86.4	31%	0.313	41%	0.411	S	S	.	.	H	α-helix	trans	-61.4	-41.1	178.7	-79.2	-176.7	164.6	-160.6	0.9	112.6	I121 D124 E125 R639 C640 H646 S647	I121-R643 HydrophobicContact CG2-CB 3.7Å; D124-R643 IonicContact OD2-CZ 2.83Å; D124-R643 VanDerWaalsContact OD2-CZ 3.3Å; D124-R643 IonicContact OD2-NH1 3.55Å; D124-R643 PolarHBondContact OD2-NH1 2.92Å; D124-R643 IonicContact OD2-NH2 3Å; D124-R643 PolarHBondContact OD2-NH2 3.33Å; E125-R643 IonicContact OE1-CZ 3.45Å; E125-R643 IonicContact OE1-NE 3.67Å; E125-R643 PolarHBondContact OE1-NE 3.15Å; E125-R643 IonicContact OE1-NH1 3.27Å; E125-R643 IonicContact OE1-NH2 2.69Å; E125-R643 PolarHBondContact OE1-NH2 2.88Å; R639-R643 PolarHBondContact O-N 2.74Å; C640-R643 PolarHBondContact O-N 2.68Å; R643-H646 PolarHBondContact O-N 3.08Å; R643-S647 WeakPolarHBondContact O-CB 3.39Å; R643-S647 PolarHBondContact O-N 2.98Å
644	L	84.7	Confident	78.7	Confident	45 Å²	45	89.2 Å²	89.2	24%	0.236	43%	0.426	C	S	.	.	H	α-helix	trans	-64.9	-39.3	176	-68.8	169	0	0	0	111.8	I118 I121 I122 C640 Y641 I642 S647 N648	I118-L644 HydrophobicContact CB-CD2 4.36Å; I118-L644 HydrophobicContact CG1-CD2 4.13Å; I118-L644 HydrophobicContact CG2-CD2 3.96Å; I121-L644 HydrophobicContact CG2-CD2 4.22Å; I121-L644 HydrophobicContact CG2-CG 4.42Å; I122-L644 HydrophobicContact CD1-CD1 4.48Å; C640-L644 WeakPolarHBondContact O-CB 3.49Å; C640-L644 WeakPolarHBondContact O-CG 3.45Å; C640-L644 PolarHBondContact O-N 2.59Å; Y641-L644 PolarHBondContact O-N 2.57Å; I642-L644 PolarHBondContact O-N 3.47Å; L644-S647 PolarHBondContact O-N 3.3Å; L644-N648 PolarHBondContact O-N 3.41Å; L644-N648 VanDerWaalsContact O-N 3.1Å
645	K	85.7	Confident	76.7	Confident	134 Å²	134	87.6 Å²	87.6	58%	0.583	43%	0.427	S	S	*	.	H	α-helix	trans	-64.1	-43.7	174.1	-171.5	179.5	179.2	-175.7	0	112.2	Y641 I642 N648 H649	Y641-K645 WeakPolarHBondContact O-CB 3.3Å; Y641-K645 PolarHBondContact O-N 3.26Å; I642-K645 PolarHBondContact O-N 2.73Å; K645-N648 PolarHBondContact O-N 2.9Å; K645-H649 PolarHBondContact O-N 2.9Å
646	H	81.5	Confident	74.7	Confident	117 Å²	117	88.4 Å²	88.4	54%	0.542	43%	0.434	S	S	.	.	H	α-helix	trans	-65.5	-39	176	-85	-105.3	0	0	0	112.5	I642 R643 N648 H649 N650	I642-H646 PolarHBondContact O-CD2 3.19Å; I642-H646 VanDerWaalsContact O-CD2 3.29Å; I642-H646 PolarHBondContact O-N 2.9Å; R643-H646 PolarHBondContact O-N 3.08Å; H646-N648 PolarHBondContact O-N 3.06Å; H646-H649 PolarHBondContact O-N 3.28Å; H646-N650 PolarHBondContact O-N 3.38Å
647	S	75.8	Confident	72.7	Confident	26 Å²	26	94.2 Å²	94.2	18%	0.182	47%	0.466	C	S	.	.	H	α-helix	trans	-59.5	-44.6	174.1	-174.5	0	0	0	0	111.8	R643 L644 H649 N651	R643-S647 WeakPolarHBondContact O-CB 3.39Å; R643-S647 PolarHBondContact O-N 2.98Å; L644-S647 PolarHBondContact O-N 3.3Å; S647-H649 PolarHBondContact O-N 3.38Å; S647-N651 PolarHBondContact O-N 2.93Å; S647-N651 PolarHBondContact O-ND2 2.95Å
648	N	71.9	Confident	70.7	Confident	84 Å²	84	93.2 Å²	93.2	45%	0.449	47%	0.474	S	S	.	.	H	α-helix	trans	-63.4	-39	173.7	-75.5	-28.8	0	0	0	112.7	L644 K645 H646 N652	L644-N648 PolarHBondContact O-N 3.41Å; L644-N648 VanDerWaalsContact O-N 3.1Å; K645-N648 PolarHBondContact O-N 2.9Å; H646-N648 PolarHBondContact O-N 3.06Å; N648-N652 PolarHBondContact O-N 3.45Å; N648-N652 PolarHBondContact O-OD1 3.47Å
649	H	70.5	Confident	68.5	Low	106 Å²	106	95 Å²	95	49%	0.491	49%	0.485	S	S	.	.	H	α-helix	trans	-70.3	-39.5	179.9	-160.2	-40.3	0	0	0	113.1	K645 H646 S647 N651 N652 N653	K645-H649 PolarHBondContact O-N 2.9Å; H646-H649 PolarHBondContact O-N 3.28Å; S647-H649 PolarHBondContact O-N 3.38Å; H649-N651 VanDerWaalsContact C-N 3.33Å; H649-N651 PolarHBondContact O-N 3.22Å; H649-N652 PolarHBondContact O-N 3.29Å; H649-N653 PolarHBondContact CE1-OD1 2.71Å; H649-N653 PolarHBondContact ND1-OD1 3.19Å; H649-N653 PolarHBondContact O-N 3.36Å
650	N	61	Low	66.3	Low	97 Å²	97	96.3 Å²	96.3	52%	0.519	51%	0.506	S	S	.	.	H	α-helix	trans	-66.5	-36.9	178.2	-76.8	5.4	0	0	0	111.7	H646 N652 N653 N654	H646-N650 PolarHBondContact O-N 3.38Å; N650-N652 VanDerWaalsContact C-N 3.33Å; N650-N652 PolarHBondContact O-N 2.95Å; N650-N653 PolarHBondContact O-N 3.25Å; N650-N654 PolarHBondContact O-N 2.66Å
651	N	57.9	Low	63.8	Low	85 Å²	85	103.3 Å²	103.3	46%	0.455	54%	0.542	S	S	.	.	H	α-helix	trans	-61.5	-39.6	173.1	-76	-53.8	0	0	0	112.1	S647 H649 T655	S647-N651 PolarHBondContact O-N 2.93Å; S647-N651 PolarHBondContact O-ND2 2.95Å; H649-N651 VanDerWaalsContact C-N 3.33Å; H649-N651 PolarHBondContact O-N 3.22Å; N651-T655 PolarHBondContact O-OG1 3.48Å
652	N	57.8	Low	61.5	Low	109 Å²	109	103 Å²	103	58%	0.583	55%	0.552	S	S	*	*	H	α-helix	trans	-71.6	-31.8	176.7	-71.7	7	0	0	0	113.6	N648 H649 N650 T655	N648-N652 PolarHBondContact O-N 3.45Å; N648-N652 PolarHBondContact O-OD1 3.47Å; H649-N652 PolarHBondContact O-N 3.29Å; N650-N652 VanDerWaalsContact C-N 3.33Å; N650-N652 PolarHBondContact O-N 2.95Å; N652-T655 PolarHBondContact O-OG1 2.94Å
653	N	55	Low	58.9	Low	67 Å²	67	105 Å²	105	36%	0.358	56%	0.563	S	S	.	*	H	α-helix	trans	-74.8	-38.4	177.4	-77	9.7	0	0	0	112	H649 N650 T655 N656 N657	H649-N653 PolarHBondContact CE1-OD1 2.71Å; H649-N653 PolarHBondContact ND1-OD1 3.19Å; H649-N653 PolarHBondContact O-N 3.36Å; N650-N653 PolarHBondContact O-N 3.25Å; N653-T655 PolarHBondContact O-N 2.88Å; N653-N656 PolarHBondContact O-N 2.95Å; N653-N657 PolarHBondContact O-N 3.35Å; N653-N657 VanDerWaalsContact O-N 3.17Å
654	N	50	Low	56.6	Low	121 Å²	121	107.5 Å²	107.5	65%	0.647	58%	0.582	S	S	*	*	H	α-helix	trans	-66.6	-21.5	179.3	-78	4.4	0	0	0	113.2	N650	N650-N654 PolarHBondContact O-N 2.66Å
655	T	50.6	Low	54.3	Low	99 Å²	99	110.7 Å²	110.7	61%	0.607	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-15.7	169.9	38.6	0	0	0	0	114.6	N651 N652 N653	N651-T655 PolarHBondContact O-OG1 3.48Å; N652-T655 PolarHBondContact O-OG1 2.94Å; N653-T655 PolarHBondContact O-N 2.88Å
656	N	49.4	Very low	51.9	Low	110 Å²	110	110.9 Å²	110.9	59%	0.588	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-35.4	-176.2	-70.5	-11.2	0	0	0	113.2	N653 S658	N653-N656 PolarHBondContact O-N 2.95Å; N656-S658 VanDerWaalsContact C-N 3.25Å; N656-S658 PolarHBondContact O-N 2.99Å
657	N	49	Very low	49.7	Very low	135 Å²	135	113.2 Å²	113.2	72%	0.722	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-4.7	-173.6	-82.8	16.7	0	0	0	115.2	N653 N659	N653-N657 PolarHBondContact O-N 3.35Å; N653-N657 VanDerWaalsContact O-N 3.17Å; N657-N659 VanDerWaalsContact C-N 3.26Å; N657-N659 PolarHBondContact O-N 2.89Å
658	S	47.2	Very low	47.7	Very low	101 Å²	101	118.7 Å²	118.7	71%	0.706	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-7.9	178	-58.5	0	0	0	0	114.7	N656	N656-S658 VanDerWaalsContact C-N 3.25Å; N656-S658 PolarHBondContact O-N 2.99Å
659	N	46.5	Very low	45.9	Very low	138 Å²	138	121.1 Å²	121.1	74%	0.738	67%	0.668	S	S	*	*	S	Bend	trans	-108.8	-6.9	-165.3	-72.1	-5.9	0	0	0	116.2	N657	N657-N659 VanDerWaalsContact C-N 3.26Å; N657-N659 PolarHBondContact O-N 2.89Å
660	S	44	Very low	44.1	Very low	106 Å²	106	124.6 Å²	124.6	74%	0.741	68%	0.682	S	S	*	*			trans	-142.5	104.9	-173.8	-61.8	0	0	0	0	113.1
661	N	37.7	Very low	42.7	Very low	162 Å²	162	126.7 Å²	126.7	87%	0.866	70%	0.698	S	S	*	*			trans	-151.3	100.8	165.5	-108	-19.1	0	0	0	108.9
662	D	39.1	Very low	41.5	Very low	155 Å²	155	129.3 Å²	129.3	83%	0.829	71%	0.711	S	S	*	*			trans	-167.2	149.8	157.6	-115.6	-25.6	0	0	0	112.5
663	N	36.7	Very low	40.3	Very low	126 Å²	126	133.3 Å²	133.3	67%	0.674	73%	0.726	S	S	*	*			trans	68.7	91.3	166.4	-63.9	-60.1	0	0	0	121.7
664	N	36.8	Very low	39.1	Very low	134 Å²	134	137.6 Å²	137.6	72%	0.717	74%	0.743	S	S	*	*				73.6	91.7	120.5	-61	-21.1	0	0	0	123.9
665	T	36.5	Very low	38.2	Very low	112 Å²	112	139.6 Å²	139.6	69%	0.687	75%	0.754	S	S	*	*				43	128.3	115.3	38.9	0	0	0	0	124.4
666	N	34.3	Very low	37.2	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	76%	0.756	S	S	*	*			trans	72.1	109	135.3	-61.7	-10	0	0	0	121.7
667	N	35.5	Very low	36.1	Very low	166 Å²	166	143.5 Å²	143.5	89%	0.888	77%	0.771	S	S	*	*				-161.3	151.9	102.6	-109.1	-39.3	0	0	0	113.6
668	N	33.7	Very low	34.9	Very low	141 Å²	141	142.2 Å²	142.2	75%	0.754	77%	0.772	S	S	*	*			trans	-109.7	144.8	-179.6	-73.1	-48.5	0	0	0	111.5
669	N	35.8	Very low	34	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	78%	0.778	S	S	*	*				173.2	132.6	120	-95.8	-63.1	0	0	0	115
670	K	31.4	Very low	33	Very low	179 Å²	179	147 Å²	147	78%	0.778	78%	0.781	S	S	*	*			trans	39.2	112.2	140.4	-58	173.1	-174.8	177.4	0	120.8
671	V	32.2	Very low	32.2	Very low	141 Å²	141	149.6 Å²	149.6	86%	0.855	78%	0.781	S	S	*	*				-134.2	144.2	121.9	178	0	0	0	0	107.9
672	I	32	Very low	31.6	Very low	140 Å²	140	148 Å²	148	72%	0.718	77%	0.773	S	S	*	*			trans	-109.7	132	175.8	-62.7	169.9	0	0	0	108.7
673	Q	32.5	Very low	31.1	Very low	193 Å²	193	148.4 Å²	148.4	90%	0.902	78%	0.775	S	S	*	*			trans	-128.5	110.3	156.2	-80.7	-169.1	-16.7	0	0	109.4
674	H	29.7	Very low	30.5	Very low	156 Å²	156	151.8 Å²	151.8	72%	0.722	78%	0.78	S	S	*	*			trans	-85.2	137.3	161.5	-114.5	-95.7	0	0	0	108.1	N676	H674-N676 PolarHBondContact ND1-OD1 3.31Å
675	N	31	Very low	30	Very low	164 Å²	164	155.2 Å²	155.2	88%	0.877	78%	0.784	S	S	*	*			trans	-142.2	138.1	152.7	-140.7	-12.2	0	0	0	109
676	N	30.4	Very low	29.6	Very low	120 Å²	120	155.4 Å²	155.4	64%	0.642	79%	0.787	S	S	*	*			trans	-99.9	144.9	-156.2	-61.9	-35.5	0	0	0	112.8	H674	H674-N676 PolarHBondContact ND1-OD1 3.31Å
677	N	26.2	Very low	29.2	Very low	171 Å²	171	157.2 Å²	157.2	91%	0.914	80%	0.796	S	S	*	*			trans	-162.4	89.1	157.5	-105.4	-28.9	0	0	0	111.3
678	S	23.9	Very low	28.9	Very low	107 Å²	107	154 Å²	154	75%	0.748	79%	0.787	S	S	*	*			trans	-166.1	112.1	171.9	58.9	0	0	0	0	113.7
679	L	27.8	Very low	28.7	Very low	157 Å²	157	153.8 Å²	153.8	82%	0.822	79%	0.785	S	S	*	*			trans	177.2	117.7	151.5	-90.8	141.2	0	0	0	105
680	K	25.5	Very low	28.2	Very low	183 Å²	183	158.2 Å²	158.2	80%	0.796	79%	0.793	S	S	*	*				58.4	125.8	77	-67.4	-178.1	176.2	-179.8	0	111
681	Q	27.6	Very low	28.1	Very low	160 Å²	160	156.5 Å²	156.5	75%	0.748	79%	0.792	S	S	*	*				-164.3	157.7	51.6	-123.4	154	-20.7	0	0	114
682	N	25.4	Very low	28.1	Very low	130 Å²	130	155.6 Å²	155.6	70%	0.695	78%	0.783	S	S	*	*			trans	39.5	126.3	147.2	-56.7	-0.8	0	0	0	122.5
683	N	27.8	Very low	28.3	Very low	163 Å²	163	156.6 Å²	156.6	87%	0.872	78%	0.784	S	S	*	*				-164.7	-177.1	100.6	-100.9	-20	0	0	0	113
684	Y	24.8	Very low	28.8	Very low	197 Å²	197	153.8 Å²	153.8	77%	0.773	77%	0.774	S	S	*	*			trans	-118.9	175	-149.1	-136.8	-101.9	0	0	0	114.5
685	Y	26.9	Very low	29.1	Very low	205 Å²	205	151.4 Å²	151.4	80%	0.804	77%	0.766	S	S	*	*			trans	90.4	145.6	168.7	-58.7	-71.3	0	0	0	119
686	P	27.2	Very low	29.3	Very low	116 Å²	116	150 Å²	150	75%	0.753	75%	0.754	S	S	*	*			trans	-104.1	155.4	-161	39.6	-34.1	0	0	0	114.7
687	L	26.3	Very low	29.8	Very low	177 Å²	177	149 Å²	149	93%	0.927	75%	0.748	S	S	*	*			trans	-83.4	138	166.2	-95.8	74.5	0	0	0	111.9
688	S	29.2	Very low	30.4	Very low	99 Å²	99	145.7 Å²	145.7	69%	0.692	73%	0.731	S	S	*	*			trans	-102.5	-174.4	165	58.6	0	0	0	0	110.9
689	N	29.1	Very low	31.2	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	72%	0.724	S	S	*	*			trans	65.5	78	169.8	-67.1	-3.8	0	0	0	117.6	N691	N689-N691 PolarHBondContact O-N 3.32Å
690	Y	25.9	Very low	31.6	Very low	230 Å²	230	143 Å²	143	90%	0.902	71%	0.708	S	S	*	*			trans	-52.3	97.2	147.3	-179.9	-89.2	0	0	0	110.5
691	N	28.7	Very low	32.2	Very low	142 Å²	142	139.9 Å²	139.9	76%	0.759	70%	0.699	S	S	*	*			trans	-157.4	11.3	179.1	-124.9	3	0	0	0	117.5	N689	N689-N691 PolarHBondContact O-N 3.32Å
692	D	32.3	Very low	32.7	Very low	122 Å²	122	138.2 Å²	138.2	65%	0.652	70%	0.695	S	S	*	*			trans	-112.2	18.7	-166.1	-107.5	-46.3	0	0	0	116.7	I694	D692-I694 PolarHBondContact O-N 2.96Å
693	H	36.4	Very low	33.3	Very low	161 Å²	161	139.3 Å²	139.3	75%	0.745	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-4.3	-176.8	-122	-56.2	0	0	0	115.6	N697	H693-N697 PolarHBondContact O-ND2 3.4Å; H693-N697 VanDerWaalsContact O-ND2 3.1Å
694	I	42.1	Very low	33.8	Very low	134 Å²	134	137.9 Å²	137.9	69%	0.687	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-43.7	-177.9	-65.7	174	0	0	0	111.3	D692 H696 N697 L698	D692-I694 PolarHBondContact O-N 2.96Å; I694-H696 VanDerWaalsContact C-N 3.32Å; I694-H696 PolarHBondContact O-N 3.2Å; I694-N697 PolarHBondContact O-N 2.69Å; I694-L698 HydrophobicContact CG2-CD1 4.19Å; I694-L698 PolarHBondContact O-N 2.91Å
695	L	36.5	Very low	34.3	Very low	107 Å²	107	136.3 Å²	136.3	56%	0.56	69%	0.687	S	S	*	*	H	α-helix	trans	-62.8	-37.7	-175.9	-164.9	68.3	0	0	0	112.4	N697 L698 L699	L695-N697 VanDerWaalsContact C-N 3.29Å; L695-N697 PolarHBondContact O-N 2.98Å; L695-L698 PolarHBondContact O-N 3.48Å; L695-L699 PolarHBondContact O-N 2.83Å
696	H	36.3	Very low	34.7	Very low	135 Å²	135	133.2 Å²	133.2	63%	0.625	68%	0.684	S	S	*	*	H	α-helix	trans	-67.6	-26.1	-179.4	-154.3	-38.5	0	0	0	113.5	I694 L700	I694-H696 VanDerWaalsContact C-N 3.32Å; I694-H696 PolarHBondContact O-N 3.2Å; H696-L700 PolarHBondContact O-N 3.28Å
697	N	39.7	Very low	35.1	Very low	97 Å²	97	134.7 Å²	134.7	52%	0.519	69%	0.686	S	S	.	*	H	α-helix	trans	-80.5	-35.7	176.1	-76.7	-48.4	0	0	0	112.2	H693 I694 L695 L699 L700 L701	H693-N697 PolarHBondContact O-ND2 3.4Å; H693-N697 VanDerWaalsContact O-ND2 3.1Å; I694-N697 PolarHBondContact O-N 2.69Å; L695-N697 VanDerWaalsContact C-N 3.29Å; L695-N697 PolarHBondContact O-N 2.98Å; N697-L699 VanDerWaalsContact C-N 3.35Å; N697-L700 PolarHBondContact O-N 2.9Å; N697-L701 PolarHBondContact O-N 3.21Å; N697-L701 VanDerWaalsContact O-N 3.17Å
698	L	39	Very low	35.3	Very low	103 Å²	103	133.2 Å²	133.2	54%	0.539	68%	0.679	S	S	.	*	H	α-helix	trans	-65.1	-37.4	174.4	-78.1	162.2	0	0	0	112.3	I694 L695 L700 L701 N702	I694-L698 HydrophobicContact CG2-CD1 4.19Å; I694-L698 PolarHBondContact O-N 2.91Å; L695-L698 PolarHBondContact O-N 3.48Å; L698-L700 VanDerWaalsContact C-N 3.34Å; L698-L700 PolarHBondContact O-N 3.39Å; L698-L701 PolarHBondContact O-N 2.87Å; L698-N702 PolarHBondContact O-N 3.28Å
699	L	39.9	Very low	35.3	Very low	116 Å²	116	136 Å²	136	61%	0.607	69%	0.686	S	S	*	*	H	α-helix	trans	-66.7	-33.1	175.2	-110.4	159.5	0	0	0	113.2	L695 N697	L695-L699 PolarHBondContact O-N 2.83Å; N697-L699 VanDerWaalsContact C-N 3.35Å
700	L	38.1	Very low	35.5	Very low	92 Å²	92	136.4 Å²	136.4	48%	0.482	69%	0.687	S	S	.	*	H	α-helix	trans	-72.1	-36.5	176.5	-111.7	151.6	0	0	0	112.6	H696 N697 L698 N702 Q703 L704	H696-L700 PolarHBondContact O-N 3.28Å; N697-L700 PolarHBondContact O-N 2.9Å; L698-L700 VanDerWaalsContact C-N 3.34Å; L698-L700 PolarHBondContact O-N 3.39Å; L700-N702 PolarHBondContact O-N 2.9Å; L700-Q703 PolarHBondContact O-N 3.32Å; L700-L704 PolarHBondContact O-N 2.9Å
701	L	38	Very low	35.9	Very low	116 Å²	116	132.1 Å²	132.1	61%	0.607	68%	0.68	S	S	*	*	H	α-helix	trans	-63.5	-38.4	174.8	-81.6	163.1	0	0	0	112.6	N697 L698 Q703 L704	N697-L701 PolarHBondContact O-N 3.21Å; N697-L701 VanDerWaalsContact O-N 3.17Å; L698-L701 PolarHBondContact O-N 2.87Å; L701-Q703 VanDerWaalsContact C-N 3.26Å; L701-Q703 PolarHBondContact O-N 3.48Å; L701-L704 PolarHBondContact O-N 3.41Å
702	N	37.6	Very low	36.1	Very low	126 Å²	126	131.1 Å²	131.1	67%	0.674	67%	0.674	S	S	*	*	H	α-helix	trans	-66.7	-22	177.7	-96.8	-13	0	0	0	114.1	L698 L700	L698-N702 PolarHBondContact O-N 3.28Å; L700-N702 PolarHBondContact O-N 2.9Å
703	Q	38.3	Very low	36.4	Very low	153 Å²	153	132 Å²	132	72%	0.715	68%	0.679	S	S	*	*	H	α-helix	trans	-83.2	-23.2	173.6	-70.6	-161.7	-31.1	0	0	113.4	L700 L701 H705	L700-Q703 PolarHBondContact O-N 3.32Å; L701-Q703 VanDerWaalsContact C-N 3.26Å; L701-Q703 PolarHBondContact O-N 3.48Å; Q703-H705 VanDerWaalsContact C-N 3.34Å
704	L	36.7	Very low	36.5	Very low	133 Å²	133	129.8 Å²	129.8	70%	0.696	67%	0.672	S	S	*	*	H	α-helix	trans	-79.6	-13.1	178.9	-72.7	170.1	0	0	0	113.9	L700 L701 N706	L700-L704 PolarHBondContact O-N 2.9Å; L701-L704 PolarHBondContact O-N 3.41Å; L704-N706 VanDerWaalsContact C-N 3.3Å; L704-N706 PolarHBondContact O-N 3.49Å
705	H	36.4	Very low	36.3	Very low	163 Å²	163	127 Å²	127	76%	0.755	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-11.2	-179.6	-162.7	33.9	0	0	0	114.2	Q703	Q703-H705 VanDerWaalsContact C-N 3.34Å
706	N	36	Very low	36.4	Very low	141 Å²	141	127 Å²	127	75%	0.754	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.9	16.7	-166.5	-108.5	-7.6	0	0	0	115.6	L704	L704-N706 VanDerWaalsContact C-N 3.3Å; L704-N706 PolarHBondContact O-N 3.49Å
707	N	33.8	Very low	36.6	Very low	147 Å²	147	124.6 Å²	124.6	79%	0.786	65%	0.651	S	S	*	*	S	Bend	trans	-132.9	142	175	-92.6	-52.5	0	0	0	112.5
708	N	30.8	Very low	36.8	Very low	145 Å²	145	124.6 Å²	124.6	78%	0.775	65%	0.649	S	S	*	*			trans	-80.5	168.4	-166.2	-67.8	-59.6	0	0	0	114.9
709	N	29.4	Very low	36.9	Very low	158 Å²	158	122.4 Å²	122.4	85%	0.845	64%	0.64	S	S	*	*			trans	78	66	162.2	-56.3	-18.2	0	0	0	118.8
710	I	34	Very low	37.2	Very low	144 Å²	144	121.6 Å²	121.6	74%	0.738	64%	0.637	S	S	*	*			trans	-133	140.2	155.1	-58.9	-177.1	0	0	0	110.1
711	N	33.4	Very low	37.6	Very low	140 Å²	140	123 Å²	123	75%	0.749	64%	0.639	S	S	*	*			trans	-68.2	134.5	-169.8	-73.9	-34.6	0	0	0	115	N713 N714	N711-N713 VanDerWaalsContact C-N 3.29Å; N711-N713 PolarHBondContact O-N 3.4Å; N711-N713 VanDerWaalsContact O-N 3.08Å; N711-N714 PolarHBondContact O-N 2.96Å
712	N	34.2	Very low	37.9	Very low	121 Å²	121	121.6 Å²	121.6	65%	0.647	63%	0.631	S	S	*	*	H	α-helix	trans	-54.1	-31	-173.3	-70.2	-13.1	0	0	0	116.3	N714 I715	N712-N714 VanDerWaalsContact C-N 3.32Å; N712-N714 PolarHBondContact O-N 3.17Å; N712-I715 PolarHBondContact O-N 3.45Å
713	N	38.3	Very low	38.2	Very low	141 Å²	141	119.1 Å²	119.1	75%	0.754	62%	0.618	S	S	*	*	H	α-helix	trans	-68	-28.2	-172.4	-72.1	0	0	0	0	113.8	N711	N711-N713 VanDerWaalsContact C-N 3.29Å; N711-N713 PolarHBondContact O-N 3.4Å; N711-N713 VanDerWaalsContact O-N 3.08Å
714	N	37.4	Very low	38.4	Very low	113 Å²	113	119.8 Å²	119.8	60%	0.604	62%	0.618	S	S	*	*	H	α-helix	trans	-80.8	-23.3	176.4	-74.9	0.8	0	0	0	112.6	N711 N712 I718	N711-N714 PolarHBondContact O-N 2.96Å; N712-N714 VanDerWaalsContact C-N 3.32Å; N712-N714 PolarHBondContact O-N 3.17Å; N714-I718 WeakPolarHBondContact O-CG1 3.38Å; N714-I718 PolarHBondContact O-N 2.84Å
715	I	39.2	Very low	38.7	Very low	77 Å²	77	118.2 Å²	118.2	40%	0.395	61%	0.61	S	S	.	*	H	α-helix	trans	-64.7	-48.1	-178.5	-57.5	178	0	0	0	109.4	N712 D717 I718 T719	N712-I715 PolarHBondContact O-N 3.45Å; I715-D717 VanDerWaalsContact C-N 3.31Å; I715-D717 PolarHBondContact O-N 3.14Å; I715-I718 PolarHBondContact O-N 2.94Å; I715-I718 VanDerWaalsContact O-N 3.13Å; I715-T719 WeakPolarHBondContact O-CB 3.42Å; I715-T719 PolarHBondContact O-N 2.83Å; I715-T719 PolarHBondContact O-OG1 2.97Å; I715-T719 VanDerWaalsContact O-OG1 3.1Å
716	N	38	Very low	38.6	Very low	106 Å²	106	114.5 Å²	114.5	57%	0.567	60%	0.595	S	S	*	*	H	α-helix	trans	-57.6	-38.6	-178.8	-71.1	-21.7	0	0	0	113.7	N720	N716-N720 WeakPolarHBondContact O-CB 3.38Å; N716-N720 VanDerWaalsContact O-CG 3.28Å; N716-N720 PolarHBondContact O-N 3.01Å; N716-N720 PolarHBondContact O-ND2 3.34Å; N716-N720 VanDerWaalsContact O-ND2 3.15Å
717	D	41.1	Very low	38.9	Very low	85 Å²	85	112.6 Å²	112.6	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-76.1	-30.7	-179.8	-164.6	58.8	0	0	0	112.5	I715 K721	I715-D717 VanDerWaalsContact C-N 3.31Å; I715-D717 PolarHBondContact O-N 3.14Å; D717-K721 WeakPolarHBondContact O-CD 3.29Å; D717-K721 WeakPolarHBondContact O-CG 3.4Å; D717-K721 PolarHBondContact O-N 3.44Å; D717-K721 IonicContact OD2-NZ 3.24Å; D717-K721 PolarHBondContact OD2-NZ 3.01Å
718	I	44	Very low	39.2	Very low	96 Å²	96	110.1 Å²	110.1	49%	0.492	57%	0.571	S	S	.	*	H	α-helix	trans	-70.8	-46.9	171	-67.8	169.3	0	0	0	110.5	N714 I715 N720 K721 I722	N714-I718 WeakPolarHBondContact O-CG1 3.38Å; N714-I718 PolarHBondContact O-N 2.84Å; I715-I718 PolarHBondContact O-N 2.94Å; I715-I718 VanDerWaalsContact O-N 3.13Å; I718-N720 VanDerWaalsContact C-N 3.33Å; I718-N720 PolarHBondContact O-N 3.23Å; I718-K721 WeakPolarHBondContact O-CB 3.34Å; I718-K721 PolarHBondContact O-N 3.13Å; I718-K721 VanDerWaalsContact O-N 3.09Å; I718-I722 HydrophobicContact CG2-CD1 3.72Å; I718-I722 HydrophobicContact CG2-CG1 4.36Å; I718-I722 WeakPolarHBondContact O-CG1 3.28Å; I718-I722 PolarHBondContact O-N 3.03Å
719	T	41.1	Very low	39.7	Very low	57 Å²	57	109.4 Å²	109.4	35%	0.35	56%	0.563	S	S	.	*	H	α-helix	trans	-60.2	-40.2	176.4	-59.5	0	0	0	0	111.7	I715 K721 I722 N723	I715-T719 WeakPolarHBondContact O-CB 3.42Å; I715-T719 PolarHBondContact O-N 2.83Å; I715-T719 PolarHBondContact O-OG1 2.97Å; I715-T719 VanDerWaalsContact O-OG1 3.1Å; T719-K721 VanDerWaalsContact C-N 3.33Å; T719-K721 PolarHBondContact O-N 3.45Å; T719-I722 PolarHBondContact O-N 3.04Å; T719-N723 WeakPolarHBondContact O-CB 3.32Å; T719-N723 VanDerWaalsContact O-CG 3.22Å; T719-N723 PolarHBondContact O-N 3.28Å
720	N	45.2	Very low	40.4	Very low	100 Å²	100	108.3 Å²	108.3	54%	0.535	55%	0.552	S	S	.	*	H	α-helix	trans	-64.8	-33.6	174.4	-79.8	-32.5	0	0	0	113.2	N716 I718 K724	N716-N720 WeakPolarHBondContact O-CB 3.38Å; N716-N720 VanDerWaalsContact O-CG 3.28Å; N716-N720 PolarHBondContact O-N 3.01Å; N716-N720 PolarHBondContact O-ND2 3.34Å; N716-N720 VanDerWaalsContact O-ND2 3.15Å; I718-N720 VanDerWaalsContact C-N 3.33Å; I718-N720 PolarHBondContact O-N 3.23Å; N720-K724 WeakPolarHBondContact O-CB 3.35Å; N720-K724 PolarHBondContact O-N 2.94Å
721	K	47.7	Very low	40.7	Very low	122 Å²	122	105.7 Å²	105.7	53%	0.53	54%	0.54	S	S	.	.	H	α-helix	trans	-72.1	-42.6	173.3	-76.1	162.8	179.8	153.9	0	111.9	D717 I718 T719 K724 I725	D717-K721 WeakPolarHBondContact O-CD 3.29Å; D717-K721 WeakPolarHBondContact O-CG 3.4Å; D717-K721 PolarHBondContact O-N 3.44Å; D717-K721 IonicContact OD2-NZ 3.24Å; D717-K721 PolarHBondContact OD2-NZ 3.01Å; I718-K721 WeakPolarHBondContact O-CB 3.34Å; I718-K721 PolarHBondContact O-N 3.13Å; I718-K721 VanDerWaalsContact O-N 3.09Å; T719-K721 VanDerWaalsContact C-N 3.33Å; T719-K721 PolarHBondContact O-N 3.45Å; K721-K724 PolarHBondContact O-N 3.13Å; K721-I725 WeakPolarHBondContact O-CG1 3.44Å; K721-I725 PolarHBondContact O-N 2.96Å; K721-I725 VanDerWaalsContact O-N 3.15Å
722	I	44.4	Very low	41.2	Very low	86 Å²	86	103.8 Å²	103.8	44%	0.441	53%	0.53	S	S	.	.	H	α-helix	trans	-64.7	-44.6	177.1	-69.2	172.5	0	0	0	111	I718 T719 K724 I725 L726	I718-I722 HydrophobicContact CG2-CD1 3.72Å; I718-I722 HydrophobicContact CG2-CG1 4.36Å; I718-I722 WeakPolarHBondContact O-CG1 3.28Å; I718-I722 PolarHBondContact O-N 3.03Å; T719-I722 PolarHBondContact O-N 3.04Å; I722-K724 VanDerWaalsContact C-N 3.31Å; I722-K724 PolarHBondContact O-N 3.4Å; I722-I725 WeakPolarHBondContact O-CB 3.31Å; I722-I725 PolarHBondContact O-N 3.46Å; I722-L726 HydrophobicContact CG2-CD1 3.91Å; I722-L726 HydrophobicContact CG2-CG 4.48Å; I722-L726 PolarHBondContact O-N 3.45Å
723	N	43.6	Very low	41.5	Very low	74 Å²	74	103.3 Å²	103.3	40%	0.396	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-38	175.7	-71.5	-8.1	0	0	0	111.9	T719 I725 I727	T719-N723 WeakPolarHBondContact O-CB 3.32Å; T719-N723 VanDerWaalsContact O-CG 3.22Å; T719-N723 PolarHBondContact O-N 3.28Å; N723-I725 VanDerWaalsContact C-N 3.26Å; N723-I725 PolarHBondContact O-N 3.07Å; N723-I727 WeakPolarHBondContact O-CB 3.19Å; N723-I727 WeakPolarHBondContact O-CD1 3.18Å; N723-I727 VanDerWaalsContact O-CG1 3.25Å; N723-I727 WeakPolarHBondContact O-CG1 3.31Å; N723-I727 PolarHBondContact O-N 3.27Å
724	K	42.2	Very low	41.6	Very low	166 Å²	166	102.1 Å²	102.1	72%	0.722	52%	0.516	S	S	*	.	H	α-helix	trans	-64.7	-26	172.4	-89.1	-170.1	170.7	-171.2	0	114	N720 K721 I722	N720-K724 WeakPolarHBondContact O-CB 3.35Å; N720-K724 PolarHBondContact O-N 2.94Å; K721-K724 PolarHBondContact O-N 3.13Å; I722-K724 VanDerWaalsContact C-N 3.31Å; I722-K724 PolarHBondContact O-N 3.4Å
725	I	42.4	Very low	41.9	Very low	101 Å²	101	100.9 Å²	100.9	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-80.8	-50.6	175.4	-66.9	163.7	0	0	0	109.8	K721 I722 N723 I727 N728 E729	K721-I725 WeakPolarHBondContact O-CG1 3.44Å; K721-I725 PolarHBondContact O-N 2.96Å; K721-I725 VanDerWaalsContact O-N 3.15Å; I722-I725 WeakPolarHBondContact O-CB 3.31Å; I722-I725 PolarHBondContact O-N 3.46Å; N723-I725 VanDerWaalsContact C-N 3.26Å; N723-I725 PolarHBondContact O-N 3.07Å; I725-I727 PolarHBondContact O-N 2.67Å; I725-N728 WeakPolarHBondContact O-CA 3.33Å; I725-N728 WeakPolarHBondContact O-CB 3.37Å; I725-N728 PolarHBondContact O-N 2.9Å; I725-E729 PolarHBondContact O-N 3.32Å
726	L	35.2	Very low	42	Very low	85 Å²	85	102.5 Å²	102.5	45%	0.445	52%	0.519	S	S	.	.	H	α-helix	trans	-56	-47.4	179.6	-79.8	166.4	0	0	0	112.7	I722 N728 E729 E730	I722-L726 HydrophobicContact CG2-CD1 3.91Å; I722-L726 HydrophobicContact CG2-CG 4.48Å; I722-L726 PolarHBondContact O-N 3.45Å; L726-N728 PolarHBondContact O-N 3Å; L726-E729 PolarHBondContact O-N 3.45Å; L726-E729 VanDerWaalsContact O-N 3.11Å; L726-E730 PolarHBondContact O-N 2.97Å
727	I	42.6	Very low	42.2	Very low	100 Å²	100	102.7 Å²	102.7	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-60.5	-29.9	177.4	-67.6	166.6	0	0	0	111.3	N723 I725 N731	N723-I727 WeakPolarHBondContact O-CB 3.19Å; N723-I727 WeakPolarHBondContact O-CD1 3.18Å; N723-I727 VanDerWaalsContact O-CG1 3.25Å; N723-I727 WeakPolarHBondContact O-CG1 3.31Å; N723-I727 PolarHBondContact O-N 3.27Å; I725-I727 PolarHBondContact O-N 2.67Å; I727-N731 PolarHBondContact O-N 3.42Å; I727-N731 PolarHBondContact O-ND2 3.31Å
728	N	38.4	Very low	42.2	Very low	96 Å²	96	102.5 Å²	102.5	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-79.8	-31.3	178.9	-137.6	23.5	0	0	0	112.1	I725 L726 N732	I725-N728 WeakPolarHBondContact O-CA 3.33Å; I725-N728 WeakPolarHBondContact O-CB 3.37Å; I725-N728 PolarHBondContact O-N 2.9Å; L726-N728 PolarHBondContact O-N 3Å; N728-N732 PolarHBondContact O-N 3.47Å; N728-N732 PolarHBondContact O-ND2 3.22Å
729	E	41.9	Very low	42.1	Very low	130 Å²	130	102.7 Å²	102.7	61%	0.607	52%	0.519	S	S	*	.	H	α-helix	trans	-77.8	-41	174.4	-67.5	-166.9	144.1	0	0	112.3	I725 L726 N731 N732 L733	I725-E729 PolarHBondContact O-N 3.32Å; L726-E729 PolarHBondContact O-N 3.45Å; L726-E729 VanDerWaalsContact O-N 3.11Å; E729-N731 VanDerWaalsContact C-N 3.34Å; E729-N731 PolarHBondContact O-N 3.46Å; E729-N732 PolarHBondContact O-N 3.07Å; E729-N732 VanDerWaalsContact O-N 3.14Å; E729-L733 WeakPolarHBondContact O-CB 3.38Å; E729-L733 PolarHBondContact O-N 2.97Å
730	E	44.1	Very low	42.3	Very low	135 Å²	135	107 Å²	107	63%	0.631	53%	0.533	S	S	*	.	H	α-helix	trans	-58.6	-43.7	174.6	-75.4	-168.6	131	0	0	111.9	L726 N732 L733 H734	L726-E730 PolarHBondContact O-N 2.97Å; E730-N732 VanDerWaalsContact C-N 3.33Å; E730-N732 PolarHBondContact O-N 2.71Å; E730-L733 PolarHBondContact O-N 3.4Å; E730-H734 VanDerWaalsContact O-CB 3.28Å; E730-H734 WeakPolarHBondContact O-CB 3.28Å; E730-H734 PolarHBondContact O-N 3.24Å
731	N	41.3	Very low	42	Very low	89 Å²	89	108.6 Å²	108.6	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-63.7	-36.4	176.3	-83.9	-65.5	0	0	0	112.5	I727 E729 N735	I727-N731 PolarHBondContact O-N 3.42Å; I727-N731 PolarHBondContact O-ND2 3.31Å; E729-N731 VanDerWaalsContact C-N 3.34Å; E729-N731 PolarHBondContact O-N 3.46Å; N731-N735 WeakPolarHBondContact O-CB 3.34Å; N731-N735 PolarHBondContact O-N 3.01Å; N731-N735 PolarHBondContact O-ND2 3.49Å
732	N	43.3	Very low	41.7	Very low	100 Å²	100	107.5 Å²	107.5	54%	0.535	54%	0.535	S	S	.	.	H	α-helix	trans	-71.6	-41.1	175.3	-81.4	-64.2	0	0	0	112	N728 E729 E730 N735 L736	N728-N732 PolarHBondContact O-N 3.47Å; N728-N732 PolarHBondContact O-ND2 3.22Å; E729-N732 PolarHBondContact O-N 3.07Å; E729-N732 VanDerWaalsContact O-N 3.14Å; E730-N732 VanDerWaalsContact C-N 3.33Å; E730-N732 PolarHBondContact O-N 2.71Å; N732-N735 PolarHBondContact O-N 3.29Å; N732-L736 WeakPolarHBondContact O-CB 3.49Å; N732-L736 PolarHBondContact O-N 2.89Å
733	L	39.5	Very low	41.6	Very low	110 Å²	110	109.8 Å²	109.8	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-67.1	-39.9	178.1	-166.5	70.7	0	0	0	111.8	E729 E730 L736 L737	E729-L733 WeakPolarHBondContact O-CB 3.38Å; E729-L733 PolarHBondContact O-N 2.97Å; E730-L733 PolarHBondContact O-N 3.4Å; L733-L736 PolarHBondContact O-N 2.87Å; L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 WeakPolarHBondContact O-CB 3.49Å; L733-L737 WeakPolarHBondContact O-CG 3.44Å; L733-L737 PolarHBondContact O-N 3.09Å
734	H	42	Very low	41.4	Very low	116 Å²	116	111 Å²	111	54%	0.537	55%	0.55	S	S	.	.	H	α-helix	trans	-64.5	-43	176.1	-164.6	82.4	0	0	0	111.6	E730 L737 L738	E730-H734 VanDerWaalsContact O-CB 3.28Å; E730-H734 WeakPolarHBondContact O-CB 3.28Å; E730-H734 PolarHBondContact O-N 3.24Å; H734-L737 PolarHBondContact O-N 3.44Å; H734-L738 WeakPolarHBondContact O-CG 3.13Å; H734-L738 PolarHBondContact O-N 2.92Å
735	N	43	Very low	41.2	Very low	87 Å²	87	107.3 Å²	107.3	47%	0.465	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-39.9	173.6	-81.8	-68.2	0	0	0	112.5	N731 N732 L738 L739	N731-N735 WeakPolarHBondContact O-CB 3.34Å; N731-N735 PolarHBondContact O-N 3.01Å; N731-N735 PolarHBondContact O-ND2 3.49Å; N732-N735 PolarHBondContact O-N 3.29Å; N735-L738 PolarHBondContact O-N 2.88Å; N735-L739 WeakPolarHBondContact O-CB 3.47Å; N735-L739 VanDerWaalsContact O-CG 3.3Å; N735-L739 WeakPolarHBondContact O-CG 3.13Å; N735-L739 PolarHBondContact O-N 3.12Å
736	L	41.9	Very low	41.1	Very low	112 Å²	112	110 Å²	110	59%	0.586	55%	0.549	S	S	*	.	H	α-helix	trans	-63.4	-40.6	173.9	-88.8	160.9	0	0	0	112.8	N732 L733 K740	N732-L736 WeakPolarHBondContact O-CB 3.49Å; N732-L736 PolarHBondContact O-N 2.89Å; L733-L736 PolarHBondContact O-N 2.87Å; L736-K740 WeakPolarHBondContact O-CB 3.18Å; L736-K740 PolarHBondContact O-N 3.3Å
737	L	41.1	Very low	41.2	Very low	109 Å²	109	109.8 Å²	109.8	57%	0.571	56%	0.555	S	S	*	*	H	α-helix	trans	-69.2	-38	177.2	-73.4	167.5	0	0	0	112.4	L733 H734 K741	L733-L737 HydrophobicContact CG-CD1 4.23Å; L733-L737 WeakPolarHBondContact O-CB 3.49Å; L733-L737 WeakPolarHBondContact O-CG 3.44Å; L733-L737 PolarHBondContact O-N 3.09Å; H734-L737 PolarHBondContact O-N 3.44Å; L737-K741 WeakPolarHBondContact O-CB 3.33Å; L737-K741 PolarHBondContact O-N 3.45Å; L737-K741 VanDerWaalsContact O-N 3.07Å
738	L	42.5	Very low	41.1	Very low	81 Å²	81	111 Å²	111	42%	0.424	56%	0.56	S	S	.	*	H	α-helix	trans	-66.8	-43	174.5	-73.3	174	0	0	0	112.3	H734 N735 K741 N742	H734-L738 WeakPolarHBondContact O-CG 3.13Å; H734-L738 PolarHBondContact O-N 2.92Å; N735-L738 PolarHBondContact O-N 2.88Å; L738-K741 PolarHBondContact O-N 3.19Å; L738-N742 PolarHBondContact O-N 3.41Å; L738-N742 VanDerWaalsContact O-N 3.16Å
739	L	42	Very low	40.7	Very low	100 Å²	100	113.2 Å²	113.2	52%	0.524	57%	0.572	S	S	.	*	H	α-helix	trans	-59.4	-49.6	174.6	-74.5	167.3	0	0	0	111.1	N735 K741 N742 E743	N735-L739 WeakPolarHBondContact O-CB 3.47Å; N735-L739 VanDerWaalsContact O-CG 3.3Å; N735-L739 WeakPolarHBondContact O-CG 3.13Å; N735-L739 PolarHBondContact O-N 3.12Å; L739-K741 VanDerWaalsContact C-N 3.25Å; L739-K741 PolarHBondContact O-N 2.95Å; L739-N742 PolarHBondContact O-N 2.97Å; L739-E743 PolarHBondContact O-N 3.34Å; L739-E743 VanDerWaalsContact O-N 3.15Å
740	K	43.3	Very low	40.4	Very low	148 Å²	148	118.7 Å²	118.7	64%	0.643	60%	0.598	S	S	*	*	H	α-helix	trans	-69.9	-19.3	-177.2	-154.6	172.5	-169.9	178.2	0	114	L736	L736-K740 WeakPolarHBondContact O-CB 3.18Å; L736-K740 PolarHBondContact O-N 3.3Å
741	K	40.1	Very low	40.2	Very low	133 Å²	133	117.9 Å²	117.9	58%	0.578	60%	0.597	S	S	*	*	H	α-helix	trans	-76.8	-45.9	170.6	-167.9	175.8	-178.9	-176.7	0	111.4	L737 L738 L739 E743 N744 D745	L737-K741 WeakPolarHBondContact O-CB 3.33Å; L737-K741 PolarHBondContact O-N 3.45Å; L737-K741 VanDerWaalsContact O-N 3.07Å; L738-K741 PolarHBondContact O-N 3.19Å; L739-K741 VanDerWaalsContact C-N 3.25Å; L739-K741 PolarHBondContact O-N 2.95Å; K741-E743 VanDerWaalsContact C-N 3.31Å; K741-E743 PolarHBondContact O-N 2.97Å; K741-N744 PolarHBondContact O-N 3.01Å; K741-D745 PolarHBondContact O-N 3.21Å
742	N	41.5	Very low	40.1	Very low	99 Å²	99	119.4 Å²	119.4	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-66.4	-30	-178.4	-68.6	-10.9	0	0	0	113.3	L738 L739	L738-N742 PolarHBondContact O-N 3.41Å; L738-N742 VanDerWaalsContact O-N 3.16Å; L739-N742 PolarHBondContact O-N 2.97Å
743	E	41.2	Very low	39.9	Very low	134 Å²	134	120.5 Å²	120.5	63%	0.626	61%	0.607	S	S	*	*	H	α-helix	trans	-66.5	-36	174.5	-72.1	178.2	151.9	0	0	112.6	L739 K741	L739-E743 PolarHBondContact O-N 3.34Å; L739-E743 VanDerWaalsContact O-N 3.15Å; K741-E743 VanDerWaalsContact C-N 3.31Å; K741-E743 PolarHBondContact O-N 2.97Å
744	N	40	Very low	40	Very low	99 Å²	99	121.1 Å²	121.1	53%	0.529	61%	0.609	S	S	.	*	H	α-helix	trans	-70.7	-43.2	177.8	-72.8	-14.3	0	0	0	112	K741 Q746 S747	K741-N744 PolarHBondContact O-N 3.01Å; N744-Q746 PolarHBondContact O-N 3.43Å; N744-S747 PolarHBondContact O-N 3.27Å; N744-S747 PolarHBondContact O-OG 3Å
745	D	38.9	Very low	39.8	Very low	89 Å²	89	121.4 Å²	121.4	48%	0.476	61%	0.613	S	S	.	*	H	α-helix	trans	-67.6	-19.9	-176.3	-70	-25.1	0	0	0	113.2	K741 N749	K741-D745 PolarHBondContact O-N 3.21Å; D745-N749 PolarHBondContact O-ND2 3.23Å
746	Q	38.5	Very low	39.6	Very low	158 Å²	158	123.7 Å²	123.7	74%	0.738	62%	0.623	S	S	*	*	H	α-helix	trans	-83	-22.5	171.3	-66.2	-162.4	-60.7	0	0	113.8	N744 I748	N744-Q746 PolarHBondContact O-N 3.43Å; Q746-I748 VanDerWaalsContact C-N 3.26Å; Q746-I748 PolarHBondContact O-N 3.18Å
747	S	39.2	Very low	39.5	Very low	81 Å²	81	124.6 Å²	124.6	57%	0.566	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	2.2	178.1	69.9	0	0	0	0	114.8	N744	N744-S747 PolarHBondContact O-N 3.27Å; N744-S747 PolarHBondContact O-OG 3Å
748	I	40	Very low	39.4	Very low	124 Å²	124	125.8 Å²	125.8	64%	0.636	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.7	1.6	-175.4	-64.5	172.6	0	0	0	111.6	Q746	Q746-I748 VanDerWaalsContact C-N 3.26Å; Q746-I748 PolarHBondContact O-N 3.18Å
749	N	29.8	Very low	39.1	Very low	143 Å²	143	129.5 Å²	129.5	77%	0.765	65%	0.647	S	S	*	*			trans	-126.9	31.9	178.5	-72.7	-78	0	0	0	113.2	D745	D745-N749 PolarHBondContact O-ND2 3.23Å
750	Q	34.7	Very low	38.8	Very low	246 Å²	246	132.2 Å²	132.2	100%	1.15	66%	0.658	S	S	*	*			trans	-135.4	0	163.8	-74.5	-165.4	-34.3	0	0	109.3

Retrieved 750 of 750 residues in 1502.8 ms (Link to these results)

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