A0A077Z1Y3_TRITR Loading...

Protein arginine methyltransferase NDUFAF7

Arginine methyltransferase involved in the assembly or stability of mitochondrial NADH:ubiquinone oxidoreductase complex (complex I).

AlphaFold DB , UniProt , Accession A0A077Z1Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 408 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	33	Very low	246 Å²	246	190.5 Å²	190.5	100%	1.212	87%	0.867	S	S	*	*				0	138.1	0	-92.3	177.1	157.2	0	0	108.8
2	K	35.5	Very low	32.9	Very low	205 Å²	205	189.1 Å²	189.1	89%	0.891	86%	0.858	S	S	*	*			trans	86.3	75	-176.5	-59.1	-174.2	178.2	179.5	0	116.1
3	T	30.6	Very low	33.1	Very low	134 Å²	134	183.5 Å²	183.5	82%	0.822	85%	0.847	S	S	*	*			trans	-47.8	130.2	147.8	35.6	0	0	0	0	112.4
4	F	35.7	Very low	32.9	Very low	208 Å²	208	185.9 Å²	185.9	91%	0.912	85%	0.845	S	S	*	*			trans	-135.1	126.3	156.7	-116.8	-92.6	0	0	0	110	L6	F4-L6 PolarHBondContact O-N 3.37Å
5	R	30.8	Very low	32.7	Very low	230 Å²	230	179.4 Å²	179.4	87%	0.868	83%	0.828	S	S	*	*			trans	-69	118.3	-165.8	-76.5	170.5	163.9	171.6	-6.3	112.7	S7	R5-S7 PolarHBondContact O-N 3.31Å
6	L	32.5	Very low	32.6	Very low	186 Å²	186	175.1 Å²	175.1	97%	0.974	81%	0.813	S	S	*	*			trans	-82.8	85.1	153.9	-85.7	150.5	0	0	0	108.3	F4	F4-L6 PolarHBondContact O-N 3.37Å
7	S	30.4	Very low	32.4	Very low	88 Å²	88	178.4 Å²	178.4	62%	0.615	82%	0.817	S	S	*	*			trans	-143.6	78	175.3	65.4	0	0	0	0	110.4	R5	R5-S7 PolarHBondContact O-N 3.31Å
8	R	32.6	Very low	32.2	Very low	237 Å²	237	178.2 Å²	178.2	89%	0.894	82%	0.816	S	S	*	*	S	Bend	trans	-158.2	-6.8	165.3	-116.8	173.2	-173.3	-154.7	-0.4	117
9	L	36.4	Very low	32.1	Very low	133 Å²	133	177.7 Å²	177.7	70%	0.696	82%	0.817	S	S	*	*	S	Bend	trans	-114.3	2.9	-176.1	-90.2	141.2	0	0	0	115.7
10	Y	34.2	Very low	32	Very low	216 Å²	216	176.1 Å²	176.1	85%	0.847	81%	0.81	S	S	*	*	S	Bend	trans	-117.3	15.5	178.4	-94.7	-88.2	0	0	0	114.1
11	R	31.5	Very low	31.9	Very low	212 Å²	212	173.6 Å²	173.6	80%	0.8	81%	0.813	S	S	*	*	S	Bend	trans	-108	-3	179.8	-102.9	-176.5	-178.5	-167.2	-1.3	115.5
12	F	32.6	Very low	31.7	Very low	174 Å²	174	166.4 Å²	166.4	76%	0.763	79%	0.793	S	S	*	*	S	Bend	trans	-96.4	-13.3	-178.1	-100	-88	0	0	0	115.2
13	T	34.7	Very low	31.4	Very low	116 Å²	116	165.2 Å²	165.2	71%	0.712	79%	0.79	S	S	*	*	S	Bend	trans	-107	4.4	-178.4	43.5	0	0	0	0	114.4
14	R	31.2	Very low	31.3	Very low	217 Å²	217	168.9 Å²	168.9	82%	0.819	79%	0.791	S	S	*	*	S	Bend	trans	-137	-0.9	-178.5	-145.2	172.9	176.3	-176	-1.3	115.4
15	C	29.8	Very low	31.1	Very low	89 Å²	89	164.7 Å²	164.7	60%	0.601	79%	0.787	S	S	*	*	S	Bend	trans	-104.6	-3.1	-177.4	-152.3	0	0	0	0	114.5
16	L	29.9	Very low	31.4	Very low	110 Å²	110	160.8 Å²	160.8	58%	0.576	78%	0.779	S	S	*	*	S	Bend	trans	-103.7	-5.4	175.7	-80.2	157.6	0	0	0	113.6
17	W	30.3	Very low	31.9	Very low	232 Å²	232	159.8 Å²	159.8	88%	0.879	77%	0.769	S	S	*	*	S	Bend	trans	-87.6	2.6	180	-90.9	81.5	0	0	0	114.7
18	Q	28.8	Very low	33	Very low	174 Å²	174	162.2 Å²	162.2	81%	0.813	77%	0.766	S	S	*	*	S	Bend	trans	-139.1	13.4	-173.1	-96.5	-178.4	-17	0	0	116.4
19	M	29.6	Very low	34.4	Very low	169 Å²	169	158 Å²	158	83%	0.833	76%	0.756	S	S	*	*	S	Bend	trans	-133.5	10.3	179.1	-75.9	-168.9	77.8	0	0	116.8
20	E	30	Very low	36.4	Very low	146 Å²	146	151.8 Å²	151.8	68%	0.682	72%	0.724	S	S	*	*			trans	-125.2	12.8	-178.4	-76.6	-179.7	164.8	0	0	115.3	A22	E20-A22 PolarHBondContact O-N 3.48Å
21	S	29.8	Very low	38.9	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	24.9	177.9	60.6	0	0	0	0	114.8
22	A	29.7	Very low	41.8	Very low	95 Å²	95	134.9 Å²	134.9	79%	0.785	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142	17.4	-173.3	0	0	0	0	0	115.7	E20	E20-A22 PolarHBondContact O-N 3.48Å
23	Q	28.2	Very low	44.7	Very low	179 Å²	179	128.5 Å²	128.5	84%	0.836	64%	0.641	S	S	*	*	S	Bend	trans	-139.5	14.2	-175.1	-108.7	179.5	-17.9	0	0	117.7
24	Y	28.9	Very low	47.4	Very low	212 Å²	212	127.3 Å²	127.3	83%	0.831	63%	0.626	S	S	*	*			trans	-123.4	83.7	-179.1	-102.1	-93.3	0	0	0	113.1
25	S	30.3	Very low	50.4	Low	120 Å²	120	121.3 Å²	121.3	84%	0.839	61%	0.61	S	S	*	*			trans	-158.1	50.6	155.6	61.9	0	0	0	0	110.3	Q27	S25-Q27 PolarHBondContact O-N 2.79Å
26	Q	37.2	Very low	53.5	Low	148 Å²	148	117 Å²	117	69%	0.692	58%	0.581	S	S	*	*			trans	-80.7	98.8	157.1	-90.5	-178.5	-17.4	0	0	107.2	Y28	Q26-Y28 HydrophobicContact CB-CD2 4.26Å; Q26-Y28 HydrophobicContact CB-CE2 3.96Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.39Å; Q26-Y28 PolarHBondContact O-N 3.03Å; Q26-Y28 PolarHBondContact OE1-OH 3.07Å
27	Q	44.3	Very low	56.6	Low	165 Å²	165	112.1 Å²	112.1	77%	0.771	56%	0.555	S	S	*	*			trans	-63.9	89.1	166.6	-139.2	174	2.1	0	0	106.3	S25 E29	S25-Q27 PolarHBondContact O-N 2.79Å; Q27-E29 PolarHBondContact O-N 3.12Å
28	Y	52.6	Low	59.7	Low	138 Å²	138	105.6 Å²	105.6	54%	0.541	54%	0.538	S	S	.	.			trans	-63.5	123.2	170.9	-79.4	-89.4	0	0	0	106.4	Q26 S30	Q26-Y28 HydrophobicContact CB-CD2 4.26Å; Q26-Y28 HydrophobicContact CB-CE2 3.96Å; Q26-Y28 WeakPolarHBondContact O-CD2 3.39Å; Q26-Y28 PolarHBondContact O-N 3.03Å; Q26-Y28 PolarHBondContact OE1-OH 3.07Å; Y28-S30 VanDerWaalsContact C-N 3.31Å; Y28-S30 PolarHBondContact O-N 3.19Å
29	E	63.2	Low	62.8	Low	150 Å²	150	97.9 Å²	97.9	70%	0.701	50%	0.502	S	S	*	.			trans	-56.5	100.1	167.2	-73.7	-164.3	140.6	0	0	107.6	Q27 P31 K34	Q27-E29 PolarHBondContact O-N 3.12Å; E29-P31 WeakPolarHBondContact O-CD 3.48Å; E29-K34 IonicContact OE1-NZ 3.76Å; E29-K34 PolarHBondContact OE1-NZ 2.69Å; E29-K34 IonicContact OE2-NZ 2.69Å; E29-K34 PolarHBondContact OE2-NZ 2.94Å
30	S	76.8	Confident	66	Low	2 Å²	2	90 Å²	90	1%	0.014	46%	0.463	C	S	.	.			trans	-71.6	115.6	176.7	171.7	0	0	0	0	107.5	Y28 L32 L33 K34 P301	Y28-S30 VanDerWaalsContact C-N 3.31Å; Y28-S30 PolarHBondContact O-N 3.19Å; S30-L32 PolarHBondContact O-N 3.4Å; S30-L32 VanDerWaalsContact O-N 3.16Å; S30-L32 PolarHBondContact OG-N 2.78Å; S30-L33 WeakPolarHBondContact O-CB 3.44Å; S30-L33 PolarHBondContact O-N 3.04Å; S30-L33 PolarHBondContact OG-N 3.29Å; S30-K34 PolarHBondContact O-N 3.23Å; S30-P301 PolarHBondContact OG-O 3.13Å
31	P	87.3	Confident	69	Low	68 Å²	68	88.6 Å²	88.6	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-58.7	-29.2	174.7	-22	34.6	0	0	0	111	E29 K34 L35 L61	E29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-K34 PolarHBondContact O-N 2.86Å; P31-L35 WeakPolarHBondContact O-CG 3.44Å; P31-L35 PolarHBondContact O-N 2.88Å; P31-L35 VanDerWaalsContact O-N 3.14Å; P31-L61 HydrophobicContact CB-CD1 4.2Å; P31-L61 HydrophobicContact CB-CD2 3.94Å; P31-L61 HydrophobicContact CG-CD2 4.2Å
32	L	92	Very high	72.1	Confident	4 Å²	4	86.8 Å²	86.8	2%	0.021	44%	0.444	C	S	.	.	H	α-helix	trans	-68.1	-38.8	175.6	-172.7	58.2	0	0	0	112.3	S30 K34 L35 L36 R54 C58 L61 P301	S30-L32 PolarHBondContact O-N 3.4Å; S30-L32 VanDerWaalsContact O-N 3.16Å; S30-L32 PolarHBondContact OG-N 2.78Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.07Å; L32-L35 PolarHBondContact O-N 3.12Å; L32-L36 HydrophobicContact CD1-CG 4.46Å; L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 HydrophobicContact CG-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 3.3Å; L32-R54 HydrophobicContact CD1-CB 4.49Å; L32-R54 WeakPolarHBondContact CD2-O 3.4Å; L32-C58 HydrophobicContact CD1-CB 4.15Å; L32-L61 HydrophobicContact CB-CB 4.19Å; L32-L61 HydrophobicContact CB-CD1 4.31Å; L32-L61 HydrophobicContact CD1-CB 4.35Å; L32-L61 HydrophobicContact CD1-CD1 4.42Å; L32-P301 HydrophobicContact CD2-CB 4.27Å; L32-P301 HydrophobicContact CG-CB 4.49Å
33	L	93.6	Very high	75.2	Confident	40 Å²	40	91.1 Å²	91.1	21%	0.209	44%	0.44	C	S	.	.	H	α-helix	trans	-58.6	-47.8	174.3	178.5	61.1	0	0	0	110.6	S30 L35 L36 L37 L220 P301	S30-L33 WeakPolarHBondContact O-CB 3.44Å; S30-L33 PolarHBondContact O-N 3.04Å; S30-L33 PolarHBondContact OG-N 3.29Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 3.21Å; L33-L36 VanDerWaalsContact O-N 3.16Å; L33-L37 HydrophobicContact CD1-CD1 4.1Å; L33-L37 HydrophobicContact CD1-CG 4.07Å; L33-L37 HydrophobicContact CG-CD1 3.94Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 3.49Å; L33-L220 HydrophobicContact CD1-CD1 3.92Å; L33-L220 HydrophobicContact CD1-CD2 4.43Å; L33-L220 HydrophobicContact CD1-CG 3.79Å; L33-P301 HydrophobicContact CB-CG 3.82Å; L33-P301 HydrophobicContact CD1-CG 4.05Å
34	K	92.7	Very high	78.4	Confident	92 Å²	92	83.8 Å²	83.8	40%	0.4	41%	0.412	S	S	.	.	H	α-helix	trans	-58.1	-42	176.5	-66.1	-175.7	178.9	178.7	0	111.9	E29 S30 P31 L32 N38	E29-K34 IonicContact OE1-NZ 3.76Å; E29-K34 PolarHBondContact OE1-NZ 2.69Å; E29-K34 IonicContact OE2-NZ 2.69Å; E29-K34 PolarHBondContact OE2-NZ 2.94Å; S30-K34 PolarHBondContact O-N 3.23Å; P31-K34 PolarHBondContact O-N 2.86Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.07Å; K34-N38 WeakPolarHBondContact O-CB 3.49Å; K34-N38 PolarHBondContact O-N 3.07Å; K34-N38 PolarHBondContact O-ND2 3.15Å
35	L	93	Very high	81.7	Confident	90 Å²	90	76.4 Å²	76.4	47%	0.471	39%	0.39	S	S	.	.	H	α-helix	trans	-65.7	-41.6	176.3	-70.1	173.3	0	0	0	112.9	P31 L32 L33 D39 L61	P31-L35 WeakPolarHBondContact O-CG 3.44Å; P31-L35 PolarHBondContact O-N 2.88Å; P31-L35 VanDerWaalsContact O-N 3.14Å; L32-L35 PolarHBondContact O-N 3.12Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.36Å; L35-D39 WeakPolarHBondContact O-CB 3.48Å; L35-D39 PolarHBondContact O-N 3.34Å; L35-L61 HydrophobicContact CD1-CD1 3.47Å; L35-L61 VanDerWaalsContact CD1-CD1 3.47Å
36	L	95.2	Very high	84.9	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-45.9	177.2	-73.8	167.7	0	0	0	111.2	L32 L33 D39 I40 I46 Y51 R54 L220 P301	L32-L36 HydrophobicContact CD1-CG 4.46Å; L32-L36 HydrophobicContact CG-CD1 4.08Å; L32-L36 HydrophobicContact CG-CG 4.39Å; L32-L36 WeakPolarHBondContact O-CB 3.43Å; L32-L36 VanDerWaalsContact O-CG 3.32Å; L32-L36 WeakPolarHBondContact O-CG 3.15Å; L32-L36 PolarHBondContact O-N 3.3Å; L33-L36 PolarHBondContact O-N 3.21Å; L33-L36 VanDerWaalsContact O-N 3.16Å; L36-D39 PolarHBondContact O-N 2.95Å; L36-I40 WeakPolarHBondContact O-CB 3.43Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.19Å; L36-I40 PolarHBondContact O-N 3.4Å; L36-I46 HydrophobicContact CD2-CD1 3.81Å; L36-Y51 HydrophobicContact CD1-CD2 3.98Å; L36-Y51 HydrophobicContact CD1-CE2 3.84Å; L36-Y51 HydrophobicContact CD2-CD2 4.43Å; L36-R54 HydrophobicContact CD2-CB 4.12Å; L36-R54 VanDerWaalsContact CD2-CD 3.49Å; L36-R54 HydrophobicContact CD2-CG 4.47Å; L36-L220 HydrophobicContact CD1-CD1 4.11Å; L36-P301 HydrophobicContact CD1-CB 3.75Å; L36-P301 HydrophobicContact CD1-CG 3.89Å
37	L	95.7	Very high	87.7	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-60.8	-49.9	177.9	-69	172.1	0	0	0	111.5	L33 D39 I40 E41 K214 D218 L220	L33-L37 HydrophobicContact CD1-CD1 4.1Å; L33-L37 HydrophobicContact CD1-CG 4.07Å; L33-L37 HydrophobicContact CG-CD1 3.94Å; L33-L37 HydrophobicContact CG-CG 4.35Å; L33-L37 WeakPolarHBondContact O-CB 3.33Å; L33-L37 VanDerWaalsContact O-CG 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.31Å; L33-L37 PolarHBondContact O-N 3.49Å; L37-D39 PolarHBondContact O-N 3.01Å; L37-I40 PolarHBondContact O-N 3.06Å; L37-E41 WeakPolarHBondContact O-CB 3.3Å; L37-E41 WeakPolarHBondContact O-CG 3.29Å; L37-E41 PolarHBondContact O-N 2.89Å; L37-K214 HydrophobicContact CD2-CB 4.24Å; L37-K214 HydrophobicContact CD2-CD 4.11Å; L37-K214 HydrophobicContact CD2-CG 3.85Å; L37-D218 HydrophobicContact CD1-CB 3.74Å; L37-L220 HydrophobicContact CD2-CD2 3.82Å
38	N	93.9	Very high	90.3	Very high	96 Å²	96	57 Å²	57	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-58.2	-38	176.8	-70.9	-14.6	0	0	0	111.9	K34 S42	K34-N38 WeakPolarHBondContact O-CB 3.49Å; K34-N38 PolarHBondContact O-N 3.07Å; K34-N38 PolarHBondContact O-ND2 3.15Å; N38-S42 WeakPolarHBondContact O-CB 3.39Å; N38-S42 PolarHBondContact O-N 2.69Å; N38-S42 VanDerWaalsContact O-N 3.13Å; N38-S42 PolarHBondContact O-OG 3.44Å
39	D	94.2	Very high	92.4	Very high	11 Å²	11	50.9 Å²	50.9	6%	0.059	27%	0.266	C	S	.	.	H	α-helix	trans	-68.2	-46.3	179.6	-164	48.4	0	0	0	112.3	L35 L36 L37 E41 S42 R43 R54	L35-D39 WeakPolarHBondContact O-CB 3.48Å; L35-D39 PolarHBondContact O-N 3.34Å; L36-D39 PolarHBondContact O-N 2.95Å; L37-D39 PolarHBondContact O-N 3.01Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.94Å; D39-S42 PolarHBondContact O-N 3.39Å; D39-S42 VanDerWaalsContact O-N 3.13Å; D39-S42 PolarHBondContact O-OG 3Å; D39-R43 PolarHBondContact O-N 2.97Å; D39-R43 IonicContact OD1-CZ 3.25Å; D39-R43 IonicContact OD1-NE 3.98Å; D39-R43 PolarHBondContact OD1-NE 3.44Å; D39-R43 IonicContact OD1-NH1 2.81Å; D39-R43 IonicContact OD1-NH2 3.95Å; D39-R43 PolarHBondContact OD1-NH2 3.36Å; D39-R43 IonicContact OD2-CZ 3.01Å; D39-R43 IonicContact OD2-NH2 2.89Å; D39-R54 VanDerWaalsContact CG-NH1 3.29Å; D39-R54 IonicContact OD2-CZ 3.8Å; D39-R54 IonicContact OD2-NH1 3.83Å; D39-R54 PolarHBondContact OD2-NH1 3.17Å; D39-R54 IonicContact OD2-NH2 3.83Å; D39-R54 PolarHBondContact OD2-NH2 3.32Å
40	I	96.5	Very high	94	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-62.6	-41.9	177.5	-69.5	164.8	0	0	0	110.7	L36 L37 S42 G44 I46 V212 D213 K214 L220	L36-I40 WeakPolarHBondContact O-CB 3.43Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.19Å; L36-I40 PolarHBondContact O-N 3.4Å; L37-I40 PolarHBondContact O-N 3.06Å; I40-S42 PolarHBondContact O-N 2.88Å; I40-G44 WeakPolarHBondContact CA-O 3.4Å; I40-G44 CarbonylContact O-C 3.56Å; I40-G44 WeakPolarHBondContact O-CA 3.25Å; I40-G44 PolarHBondContact O-N 2.78Å; I40-I46 HydrophobicContact CD1-CD1 4.35Å; I40-I46 HydrophobicContact CD1-CG1 4.26Å; I40-I46 HydrophobicContact CG1-CD1 4.42Å; I40-I46 HydrophobicContact CG1-CG1 4.19Å; I40-I46 HydrophobicContact CG1-CG2 4.14Å; I40-V212 HydrophobicContact CD1-CG1 4.48Å; I40-D213 WeakPolarHBondContact CG2-OD1 3.43Å; I40-K214 HydrophobicContact CG2-CB 4.25Å; I40-L220 HydrophobicContact CD1-CD2 3.63Å
41	E	94.9	Very high	95	Very high	116 Å²	116	48 Å²	48	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-33.4	175.3	-74.7	178.6	176.2	0	0	112.4	L37 D39 K214	L37-E41 WeakPolarHBondContact O-CB 3.3Å; L37-E41 WeakPolarHBondContact O-CG 3.29Å; L37-E41 PolarHBondContact O-N 2.89Å; D39-E41 VanDerWaalsContact C-N 3.34Å; D39-E41 PolarHBondContact O-N 2.94Å; E41-K214 HydrophobicContact CG-CD 4.1Å; E41-K214 WeakPolarHBondContact OE1-CD 3.4Å; E41-K214 IonicContact OE1-NZ 2.62Å; E41-K214 PolarHBondContact OE1-NZ 3.09Å
42	S	94.9	Very high	95.5	Very high	85 Å²	85	44.8 Å²	44.8	59%	0.594	23%	0.232	S	C	*	.	H	α-helix	trans	-84.4	-32.4	-178	72	0	0	0	0	114.6	N38 D39 I40	N38-S42 WeakPolarHBondContact O-CB 3.39Å; N38-S42 PolarHBondContact O-N 2.69Å; N38-S42 VanDerWaalsContact O-N 3.13Å; N38-S42 PolarHBondContact O-OG 3.44Å; D39-S42 PolarHBondContact O-N 3.39Å; D39-S42 VanDerWaalsContact O-N 3.13Å; D39-S42 PolarHBondContact O-OG 3Å; I40-S42 PolarHBondContact O-N 2.88Å
43	R	94.2	Very high	95.6	Very high	187 Å²	187	49.1 Å²	49.1	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-121	-9.8	-171.6	-61.3	-178.6	-140.2	177.1	10	114.4	D39	D39-R43 PolarHBondContact O-N 2.97Å; D39-R43 IonicContact OD1-CZ 3.25Å; D39-R43 IonicContact OD1-NE 3.98Å; D39-R43 PolarHBondContact OD1-NE 3.44Å; D39-R43 IonicContact OD1-NH1 2.81Å; D39-R43 IonicContact OD1-NH2 3.95Å; D39-R43 PolarHBondContact OD1-NH2 3.36Å; D39-R43 IonicContact OD2-CZ 3.01Å; D39-R43 IonicContact OD2-NH2 2.89Å
44	G	95.2	Very high	95.7	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	25%	0.253	S	S	.	.			trans	87.4	-174.9	-168.2	0	0	0	0	0	113.1	I40	I40-G44 WeakPolarHBondContact CA-O 3.4Å; I40-G44 CarbonylContact O-C 3.56Å; I40-G44 WeakPolarHBondContact O-CA 3.25Å; I40-G44 PolarHBondContact O-N 2.78Å
45	P	97.2	Very high	95.7	Very high	57 Å²	57	45.9 Å²	45.9	37%	0.37	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-56.4	143.2	-176.9	-23.9	32.5	0	0	0	113.2	L211 V212 D213	P45-L211 HydrophobicContact CB-CB 3.8Å; P45-L211 HydrophobicContact CB-CD1 3.9Å; P45-L211 HydrophobicContact CB-CG 4.5Å; P45-V212 WeakPolarHBondContact CA-O 3.16Å; P45-D213 HydrophobicContact CB-CB 4.01Å; P45-D213 HydrophobicContact CG-CB 3.91Å
46	I	97.2	Very high	95.7	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	157.9	178.3	61.7	174.2	0	0	0	110.9	L36 I40 Q50 L211 V212	L36-I46 HydrophobicContact CD2-CD1 3.81Å; I40-I46 HydrophobicContact CD1-CD1 4.35Å; I40-I46 HydrophobicContact CD1-CG1 4.26Å; I40-I46 HydrophobicContact CG1-CD1 4.42Å; I40-I46 HydrophobicContact CG1-CG1 4.19Å; I40-I46 HydrophobicContact CG1-CG2 4.14Å; I46-Q50 HydrophobicContact CB-CB 4.16Å; I46-L211 CarbonylContact O-C 3.59Å; I46-L211 VanDerWaalsContact O-CA 3.3Å; I46-L211 WeakPolarHBondContact O-CA 3.25Å; I46-L211 WeakPolarHBondContact O-CB 3.37Å; I46-V212 HydrophobicContact CG1-CB 4.02Å; I46-V212 PolarHBondContact N-O 2.87Å; I46-V212 PolarHBondContact O-N 3.01Å
47	T	97.8	Very high	95.5	Very high	18 Å²	18	43.2 Å²	43.2	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	156.6	175.8	69.6	0	0	0	0	111.3	A49 Q50 Y51 E209 L211	T47-A49 PolarHBondContact O-N 3.39Å; T47-Q50 WeakPolarHBondContact O-CB 3.48Å; T47-Q50 PolarHBondContact O-N 3.32Å; T47-Q50 VanDerWaalsContact O-N 3.1Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.48Å; T47-Q50 PolarHBondContact OG1-N 3.36Å; T47-Q50 VanDerWaalsContact OG1-N 3.1Å; T47-Y51 PolarHBondContact O-N 3.44Å; T47-E209 VanDerWaalsContact CG2-OE1 3.27Å; T47-E209 WeakPolarHBondContact CG2-OE1 3.3Å; T47-L211 HydrophobicContact CG2-CD2 4.01Å
48	V	98	Very high	95.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.7	-37.7	171.4	173.6	0	0	0	0	111.1	Q50 Y51 M52 V197 K199 V210 V212 F222 L286	V48-Q50 PolarHBondContact O-N 2.99Å; V48-Y51 WeakPolarHBondContact O-CB 3.4Å; V48-Y51 PolarHBondContact O-N 3.18Å; V48-M52 HydrophobicContact CG1-CG 4.32Å; V48-M52 HydrophobicContact CG1-SD 4.24Å; V48-M52 WeakPolarHBondContact O-CG 3.3Å; V48-M52 PolarHBondContact O-N 3.49Å; V48-V197 CarbonylContact C-O 3.58Å; V48-V197 HydrophobicContact CG1-CG2 4.34Å; V48-V197 WeakPolarHBondContact CG1-O 3.42Å; V48-K199 HydrophobicContact CB-CB 4.29Å; V48-K199 HydrophobicContact CG2-CB 4.04Å; V48-V210 HydrophobicContact CG2-CB 4.47Å; V48-V210 HydrophobicContact CG2-CG1 4.28Å; V48-V210 WeakPolarHBondContact CG2-O 3.43Å; V48-V212 HydrophobicContact CG2-CG2 4.29Å; V48-F222 HydrophobicContact CG2-CD1 4.36Å; V48-F222 HydrophobicContact CG2-CE1 3.98Å; V48-L286 HydrophobicContact CG1-CD2 3.75Å
49	A	97.7	Very high	94.6	Very high	11 Å²	11	44.6 Å²	44.6	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-44.1	176.1	0	0	0	0	0	112.1	T47 Y51 M52 Q53 P196 V197	T47-A49 PolarHBondContact O-N 3.39Å; A49-Y51 VanDerWaalsContact C-N 3.32Å; A49-Y51 PolarHBondContact O-N 3.13Å; A49-M52 PolarHBondContact O-N 3.36Å; A49-Q53 WeakPolarHBondContact O-CB 3.45Å; A49-Q53 PolarHBondContact O-N 2.94Å; A49-P196 HydrophobicContact CB-CB 3.95Å; A49-P196 WeakPolarHBondContact O-CB 3.29Å; A49-V197 VanDerWaalsContact CA-O 3.32Å; A49-V197 WeakPolarHBondContact CA-O 3.34Å; A49-V197 WeakPolarHBondContact CB-O 3.42Å; A49-V197 PolarHBondContact N-O 3.21Å
50	Q	96.6	Very high	94	Very high	91 Å²	91	48.5 Å²	48.5	43%	0.425	26%	0.264	S	S	.	.	H	α-helix	trans	-63.7	-39.4	175.7	-74.4	171.7	-26.6	0	0	111.8	I46 T47 V48 R54	I46-Q50 HydrophobicContact CB-CB 4.16Å; T47-Q50 WeakPolarHBondContact O-CB 3.48Å; T47-Q50 PolarHBondContact O-N 3.32Å; T47-Q50 VanDerWaalsContact O-N 3.1Å; T47-Q50 WeakPolarHBondContact OG1-CG 3.48Å; T47-Q50 PolarHBondContact OG1-N 3.36Å; T47-Q50 VanDerWaalsContact OG1-N 3.1Å; V48-Q50 PolarHBondContact O-N 2.99Å; Q50-R54 WeakPolarHBondContact O-CG 3.24Å; Q50-R54 PolarHBondContact O-N 2.85Å
51	Y	97.4	Very high	93.5	Very high	1 Å²	1	49.9 Å²	49.9	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-53.7	174.5	172.5	-105.7	0	0	0	111.4	L36 T47 V48 A49 Q53 R54 A55 V212 L220 P297 L298 P301 L306	L36-Y51 HydrophobicContact CD1-CD2 3.98Å; L36-Y51 HydrophobicContact CD1-CE2 3.84Å; L36-Y51 HydrophobicContact CD2-CD2 4.43Å; T47-Y51 PolarHBondContact O-N 3.44Å; V48-Y51 WeakPolarHBondContact O-CB 3.4Å; V48-Y51 PolarHBondContact O-N 3.18Å; A49-Y51 VanDerWaalsContact C-N 3.32Å; A49-Y51 PolarHBondContact O-N 3.13Å; Y51-Q53 PolarHBondContact O-N 3.38Å; Y51-R54 PolarHBondContact O-N 2.98Å; Y51-R54 VanDerWaalsContact O-N 3.17Å; Y51-A55 HydrophobicContact CE2-CB 4.49Å; Y51-A55 VanDerWaalsContact O-CB 3.31Å; Y51-A55 WeakPolarHBondContact O-CB 3.49Å; Y51-A55 PolarHBondContact O-N 2.95Å; Y51-V212 HydrophobicContact CD1-CG2 4.37Å; Y51-V212 HydrophobicContact CD2-CG1 4.28Å; Y51-V212 HydrophobicContact CG-CG1 4.49Å; Y51-V212 HydrophobicContact CG-CG2 4.03Å; Y51-L220 HydrophobicContact CD2-CD1 4.27Å; Y51-L220 HydrophobicContact CE2-CD1 3.69Å; Y51-P297 WeakPolarHBondContact CE1-O 3.46Å; Y51-P297 PolarHBondContact OH-O 3.15Å; Y51-L298 HydrophobicContact CD1-CD2 4.11Å; Y51-L298 HydrophobicContact CE1-CD2 3.71Å; Y51-L298 HydrophobicContact CE2-CD2 4.26Å; Y51-L298 WeakPolarHBondContact OH-CA 3.31Å; Y51-P301 HydrophobicContact CE2-CB 3.96Å; Y51-L306 HydrophobicContact CD1-CD1 4.22Å; Y51-L306 HydrophobicContact CE1-CD1 3.61Å; Y51-L306 HydrophobicContact CE1-CD2 4.33Å
52	M	97.2	Very high	93.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-48.6	177.9	-74.8	-179.2	79.4	0	0	111.8	V48 A49 R54 A55 L56 P196 V197 L286 L306	V48-M52 HydrophobicContact CG1-CG 4.32Å; V48-M52 HydrophobicContact CG1-SD 4.24Å; V48-M52 WeakPolarHBondContact O-CG 3.3Å; V48-M52 PolarHBondContact O-N 3.49Å; A49-M52 PolarHBondContact O-N 3.36Å; M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 2.71Å; M52-A55 PolarHBondContact O-N 3.4Å; M52-L56 HydrophobicContact CB-CD1 4.5Å; M52-L56 HydrophobicContact CE-CD1 4.38Å; M52-L56 VanDerWaalsContact O-CB 3.3Å; M52-L56 WeakPolarHBondContact O-CB 3.44Å; M52-L56 WeakPolarHBondContact O-CG 3.33Å; M52-L56 PolarHBondContact O-N 2.68Å; M52-P196 HydrophobicContact CB-CB 4.17Å; M52-P196 HydrophobicContact CB-CG 4.49Å; M52-V197 HydrophobicContact SD-CB 4.37Å; M52-V197 HydrophobicContact SD-CG2 3.6Å; M52-V197 VanDerWaalsContact SD-CG2 3.6Å; M52-V197 PolarHBondContact SD-N 3.11Å; M52-L286 HydrophobicContact CE-CD1 4.02Å; M52-L286 HydrophobicContact CG-CD1 4.21Å; M52-L286 HydrophobicContact SD-CD1 3.69Å; M52-L306 HydrophobicContact CE-CB 4.42Å; M52-L306 HydrophobicContact CG-CD1 4.32Å
53	Q	95.2	Very high	92.8	Very high	94 Å²	94	40.5 Å²	40.5	44%	0.439	22%	0.218	S	C	.	.	H	α-helix	trans	-53.7	-47	178.3	-176.7	77.2	52.1	0	0	111.1	A49 Y51 T57 P196	A49-Q53 WeakPolarHBondContact O-CB 3.45Å; A49-Q53 PolarHBondContact O-N 2.94Å; Y51-Q53 PolarHBondContact O-N 3.38Å; Q53-T57 PolarHBondContact NE2-OG1 3.33Å; Q53-T57 PolarHBondContact O-N 3.16Å; Q53-T57 PolarHBondContact O-OG1 3.18Å; Q53-P196 HydrophobicContact CB-CG 4.01Å
54	R	94.2	Very high	92.3	Very high	64 Å²	64	33.3 Å²	33.3	24%	0.242	19%	0.191	C	C	.	.	H	α-helix	trans	-69.7	-47.2	-179.9	-70.8	177.4	-175.8	-163.8	11.7	111.9	L32 L36 D39 Q50 Y51 M52 L56 C58	L32-R54 HydrophobicContact CD1-CB 4.49Å; L32-R54 WeakPolarHBondContact CD2-O 3.4Å; L36-R54 HydrophobicContact CD2-CB 4.12Å; L36-R54 VanDerWaalsContact CD2-CD 3.49Å; L36-R54 HydrophobicContact CD2-CG 4.47Å; D39-R54 VanDerWaalsContact CG-NH1 3.29Å; D39-R54 IonicContact OD2-CZ 3.8Å; D39-R54 IonicContact OD2-NH1 3.83Å; D39-R54 PolarHBondContact OD2-NH1 3.17Å; D39-R54 IonicContact OD2-NH2 3.83Å; D39-R54 PolarHBondContact OD2-NH2 3.32Å; Q50-R54 WeakPolarHBondContact O-CG 3.24Å; Q50-R54 PolarHBondContact O-N 2.85Å; Y51-R54 PolarHBondContact O-N 2.98Å; Y51-R54 VanDerWaalsContact O-N 3.17Å; M52-R54 VanDerWaalsContact C-N 3.27Å; M52-R54 PolarHBondContact O-N 2.71Å; R54-L56 VanDerWaalsContact C-N 3.27Å; R54-L56 PolarHBondContact O-N 3.09Å; R54-C58 WeakPolarHBondContact O-CB 3.23Å; R54-C58 PolarHBondContact O-N 2.74Å; R54-C58 VanDerWaalsContact O-N 3.16Å
55	A	94.3	Very high	91.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-38.5	179.5	0	0	0	0	0	112.2	Y51 M52 G62 Y63 G302 L306	Y51-A55 HydrophobicContact CE2-CB 4.49Å; Y51-A55 VanDerWaalsContact O-CB 3.31Å; Y51-A55 WeakPolarHBondContact O-CB 3.49Å; Y51-A55 PolarHBondContact O-N 2.95Å; M52-A55 PolarHBondContact O-N 3.4Å; A55-G62 CarbonylContact O-C 3.56Å; A55-G62 WeakPolarHBondContact O-CA 3.23Å; A55-Y63 PolarHBondContact O-N 2.96Å; A55-G302 WeakPolarHBondContact O-CA 3.48Å; A55-L306 HydrophobicContact CB-CD1 3.4Å; A55-L306 VanDerWaalsContact CB-CD1 3.4Å
56	L	92.8	Very high	90.6	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-90.8	-41.4	-175.1	-64.8	176	0	0	0	113.5	M52 R54 G62 Y63 Y64 A194 L306	M52-L56 HydrophobicContact CB-CD1 4.5Å; M52-L56 HydrophobicContact CE-CD1 4.38Å; M52-L56 VanDerWaalsContact O-CB 3.3Å; M52-L56 WeakPolarHBondContact O-CB 3.44Å; M52-L56 WeakPolarHBondContact O-CG 3.33Å; M52-L56 PolarHBondContact O-N 2.68Å; R54-L56 VanDerWaalsContact C-N 3.27Å; R54-L56 PolarHBondContact O-N 3.09Å; L56-G62 CarbonylContact O-C 3.49Å; L56-G62 VanDerWaalsContact O-C 3.3Å; L56-G62 WeakPolarHBondContact O-CA 3.21Å; L56-Y63 HydrophobicContact CD2-CD1 4.36Å; L56-Y63 PolarHBondContact O-N 3.48Å; L56-Y63 VanDerWaalsContact O-N 3.12Å; L56-Y64 HydrophobicContact CB-CD2 4.04Å; L56-Y64 HydrophobicContact CB-CE2 4.1Å; L56-Y64 HydrophobicContact CD1-CE2 4.34Å; L56-Y64 HydrophobicContact CD2-CD2 4.38Å; L56-Y64 HydrophobicContact CD2-CE2 3.87Å; L56-Y64 HydrophobicContact CG-CE2 4.33Å; L56-Y64 PolarHBondContact O-N 2.89Å; L56-A194 WeakPolarHBondContact CD1-O 3.24Å; L56-L306 HydrophobicContact CD1-CB 4.22Å; L56-L306 HydrophobicContact CD2-CB 3.97Å; L56-L306 HydrophobicContact CG-CB 4.22Å
57	T	89.4	Confident	89.2	Confident	32 Å²	32	37.5 Å²	37.5	20%	0.196	20%	0.203	C	C	.	.	H	α-helix	trans	-128	4.4	-163.7	70.1	0	0	0	0	114.8	Q53 I144	Q53-T57 PolarHBondContact NE2-OG1 3.33Å; Q53-T57 PolarHBondContact O-N 3.16Å; Q53-T57 PolarHBondContact O-OG1 3.18Å; T57-I144 HydrophobicContact CG2-CD1 3.59Å
58	C	88.6	Confident	87.9	Confident	28 Å²	28	41.7 Å²	41.7	19%	0.189	22%	0.216	C	C	.	.			trans	-53.4	128.5	176.3	179.4	0	0	0	0	110	L32 R54 S60 L61 G62	L32-C58 HydrophobicContact CD1-CB 4.15Å; R54-C58 WeakPolarHBondContact O-CB 3.23Å; R54-C58 PolarHBondContact O-N 2.74Å; R54-C58 VanDerWaalsContact O-N 3.16Å; C58-S60 PolarHBondContact O-N 2.99Å; C58-L61 HydrophobicContact CB-CB 4.47Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.15Å; C58-G62 WeakPolarHBondContact O-CA 3.38Å; C58-G62 PolarHBondContact O-N 2.9Å
59	P	83.6	Confident	86.2	Confident	103 Å²	103	47 Å²	47	67%	0.669	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	131.2	177.3	-28.8	35.5	0	0	0	110.9	L61	P59-L61 PolarHBondContact O-N 3.32Å
60	S	81.5	Confident	84.6	Confident	93 Å²	93	46.7 Å²	46.7	65%	0.65	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	-21.7	-177.2	74	0	0	0	0	118.2	C58 R66	C58-S60 PolarHBondContact O-N 2.99Å; S60-R66 WeakPolarHBondContact O-CG 3.25Å
61	L	86.6	Confident	82.8	Confident	34 Å²	34	44.5 Å²	44.5	18%	0.178	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-19.1	-171.9	-63.2	178.3	0	0	0	114.9	P31 L32 L35 C58 P59 R66	P31-L61 HydrophobicContact CB-CD1 4.2Å; P31-L61 HydrophobicContact CB-CD2 3.94Å; P31-L61 HydrophobicContact CG-CD2 4.2Å; L32-L61 HydrophobicContact CB-CB 4.19Å; L32-L61 HydrophobicContact CB-CD1 4.31Å; L32-L61 HydrophobicContact CD1-CB 4.35Å; L32-L61 HydrophobicContact CD1-CD1 4.42Å; L35-L61 HydrophobicContact CD1-CD1 3.47Å; L35-L61 VanDerWaalsContact CD1-CD1 3.47Å; C58-L61 HydrophobicContact CB-CB 4.47Å; C58-L61 PolarHBondContact O-N 3.44Å; C58-L61 VanDerWaalsContact O-N 3.15Å; P59-L61 PolarHBondContact O-N 3.32Å; L61-R66 WeakPolarHBondContact O-CD 3.16Å
62	G	86.3	Confident	80.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-68.4	148.5	178.8	0	0	0	0	0	111.8	A55 L56 C58 Y64 V65 R66	A55-G62 CarbonylContact O-C 3.56Å; A55-G62 WeakPolarHBondContact O-CA 3.23Å; L56-G62 CarbonylContact O-C 3.49Å; L56-G62 VanDerWaalsContact O-C 3.3Å; L56-G62 WeakPolarHBondContact O-CA 3.21Å; C58-G62 WeakPolarHBondContact O-CA 3.38Å; C58-G62 PolarHBondContact O-N 2.9Å; G62-Y64 PolarHBondContact O-N 2.9Å; G62-V65 PolarHBondContact O-N 3.04Å; G62-V65 VanDerWaalsContact O-N 3.17Å; G62-R66 VanDerWaalsContact O-CG 3.29Å; G62-R66 WeakPolarHBondContact O-CG 3.4Å; G62-R66 PolarHBondContact O-N 3.14Å
63	Y	87.2	Confident	78.7	Confident	5 Å²	5	53.4 Å²	53.4	2%	0.02	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-58.3	-179	-179.9	-105.3	0	0	0	111.9	A55 L56 V65 H70 D76 D305	A55-Y63 PolarHBondContact O-N 2.96Å; L56-Y63 HydrophobicContact CD2-CD1 4.36Å; L56-Y63 PolarHBondContact O-N 3.48Å; L56-Y63 VanDerWaalsContact O-N 3.12Å; Y63-V65 PolarHBondContact O-N 2.91Å; Y63-H70 HydrophobicContact CE1-CB 4.42Å; Y63-H70 AromaticContact CE2-ND1 3.79Å; Y63-H70 AromaticContact CZ-ND1 3.72Å; Y63-H70 PolarHBondContact O-CE1 2.94Å; Y63-H70 PolarHBondContact O-NE2 3.49Å; Y63-D76 VanDerWaalsContact CE2-OD2 3.22Å; Y63-D76 WeakPolarHBondContact CE2-OD2 3.28Å; Y63-D76 WeakPolarHBondContact OH-CB 3.4Å; Y63-D76 PolarHBondContact OH-OD2 3.25Å; Y63-D305 HydrophobicContact CD1-CB 4.05Å; Y63-D305 HydrophobicContact CE1-CB 3.51Å; Y63-D305 VanDerWaalsContact CE1-OD2 3.27Å; Y63-D305 WeakPolarHBondContact CE1-OD2 3.4Å; Y63-D305 HydrophobicContact CE2-CB 4.25Å
64	Y	83.4	Confident	76.7	Confident	35 Å²	35	56.7 Å²	56.7	14%	0.137	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-25	-176.1	-62.5	-56.7	0	0	0	114.8	L56 G62 S145 A194 D305	L56-Y64 HydrophobicContact CB-CD2 4.04Å; L56-Y64 HydrophobicContact CB-CE2 4.1Å; L56-Y64 HydrophobicContact CD1-CE2 4.34Å; L56-Y64 HydrophobicContact CD2-CD2 4.38Å; L56-Y64 HydrophobicContact CD2-CE2 3.87Å; L56-Y64 HydrophobicContact CG-CE2 4.33Å; L56-Y64 PolarHBondContact O-N 2.89Å; G62-Y64 PolarHBondContact O-N 2.9Å; Y64-S145 WeakPolarHBondContact O-CB 3.37Å; Y64-S145 PolarHBondContact O-OG 2.9Å; Y64-A194 HydrophobicContact CE2-CB 4.05Å; Y64-A194 WeakPolarHBondContact OH-CB 3.26Å; Y64-D305 PolarHBondContact OH-OD1 3.22Å; Y64-D305 PolarHBondContact OH-OD2 2.89Å
65	V	80.6	Confident	75	Confident	29 Å²	29	53.8 Å²	53.8	18%	0.176	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-26.7	-176	-178.5	0	0	0	0	111.8	G62 Y63	G62-V65 PolarHBondContact O-N 3.04Å; G62-V65 VanDerWaalsContact O-N 3.17Å; Y63-V65 PolarHBondContact O-N 2.91Å
66	R	76.9	Confident	73.3	Confident	47 Å²	47	54.7 Å²	54.7	18%	0.177	28%	0.278	C	S	.	.	S	Bend	trans	-69	141.7	-179.2	-71.6	174.6	76.7	-168.2	9.6	110.9	S60 L61 G62 R68 H70 G302 F303	S60-R66 WeakPolarHBondContact O-CG 3.25Å; L61-R66 WeakPolarHBondContact O-CD 3.16Å; G62-R66 VanDerWaalsContact O-CG 3.29Å; G62-R66 WeakPolarHBondContact O-CG 3.4Å; G62-R66 PolarHBondContact O-N 3.14Å; R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 3.14Å; R66-H70 PolarHBondContact O-NE2 3.25Å; R66-G302 PolarHBondContact NH1-O 2.75Å; R66-F303 VanDerWaalsContact NH1-CE2 3.25Å; R66-F303 VanDerWaalsContact NH1-CG 3.32Å
67	D	69.1	Low	71.6	Confident	101 Å²	101	56.6 Å²	56.6	54%	0.54	29%	0.286	S	S	.	.	S	Bend	trans	-78.1	79	175.4	-158.7	-7.7	0	0	0	110.3	A147 R150 R151	D67-A147 HydrophobicContact CB-CB 4.15Å; D67-R150 IonicContact OD2-NH2 3.89Å; D67-R150 PolarHBondContact OD2-NH2 3.3Å; D67-R151 IonicContact OD1-CZ 3.61Å; D67-R151 IonicContact OD1-NH2 2.84Å; D67-R151 PolarHBondContact OD1-NH2 3.16Å
68	R	70.3	Confident	70.4	Confident	106 Å²	106	58.5 Å²	58.5	40%	0.4	29%	0.294	S	S	.	.	S	Bend	trans	-130.8	157.3	173.5	-69.1	-177.2	169.2	-152.1	-7.9	109.8	R66 H70 R151 F303	R66-R68 VanDerWaalsContact C-N 3.26Å; R66-R68 PolarHBondContact O-N 3.14Å; R68-H70 PolarHBondContact O-CD2 2.93Å; R68-H70 PolarHBondContact O-N 3.26Å; R68-H70 VanDerWaalsContact O-N 3.16Å; R68-R151 VanDerWaalsContact C-NH2 3.29Å; R68-R151 VanDerWaalsContact O-CZ 3.27Å; R68-R151 PolarHBondContact O-NH1 3.19Å; R68-R151 PolarHBondContact O-NH2 3.49Å; R68-F303 VanDerWaalsContact NH2-CE1 3.35Å
69	E	62.3	Low	69.5	Low	110 Å²	110	58.3 Å²	58.3	51%	0.514	29%	0.292	S	S	.	.			trans	-73.4	100.5	170.9	-71.1	-179.2	167.5	0	0	107.5	K74 G75	E69-K74 WeakPolarHBondContact OE2-CB 3.48Å; E69-K74 WeakPolarHBondContact OE2-CD 3.5Å; E69-K74 IonicContact OE2-NZ 3.84Å; E69-G75 WeakPolarHBondContact O-CA 3.32Å
70	H	62.6	Low	68.8	Low	6 Å²	6	53.4 Å²	53.4	3%	0.028	26%	0.261	C	S	.	.			trans	-90.5	-24.8	-178.5	-58.5	-54.5	0	0	0	112.8	Y63 R66 R68 G75 D76	Y63-H70 HydrophobicContact CE1-CB 4.42Å; Y63-H70 AromaticContact CE2-ND1 3.79Å; Y63-H70 AromaticContact CZ-ND1 3.72Å; Y63-H70 PolarHBondContact O-CE1 2.94Å; Y63-H70 PolarHBondContact O-NE2 3.49Å; R66-H70 PolarHBondContact O-NE2 3.25Å; R68-H70 PolarHBondContact O-CD2 2.93Å; R68-H70 PolarHBondContact O-N 3.26Å; R68-H70 VanDerWaalsContact O-N 3.16Å; H70-G75 VanDerWaalsContact C-CA 3.47Å; H70-G75 VanDerWaalsContact O-CA 3.29Å; H70-G75 WeakPolarHBondContact O-CA 3.24Å; H70-D76 PolarHBondContact O-N 2.83Å
71	F	59.1	Low	68.3	Low	44 Å²	44	49.7 Å²	49.7	19%	0.193	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-117.6	151.4	-171.4	-54.6	-70.9	0	0	0	112	T79 L148	F71-T79 HydrophobicContact CD1-CG2 4.32Å; F71-L148 HydrophobicContact CD2-CD2 4.13Å; F71-L148 HydrophobicContact CE2-CD1 3.88Å; F71-L148 HydrophobicContact CE2-CD2 3.65Å; F71-L148 HydrophobicContact CE2-CG 4.44Å; F71-L148 HydrophobicContact CZ-CD1 4.38Å
72	G	58.7	Low	67.9	Low	8 Å²	8	50.7 Å²	50.7	8%	0.082	24%	0.238	C	C	.	.	S	Bend	trans	89.4	-165.2	173.6	0	0	0	0	0	113.5	K74 G75 F77	G72-K74 PolarHBondContact O-N 3.38Å; G72-K74 VanDerWaalsContact O-N 3.08Å; G72-G75 PolarHBondContact O-N 3.47Å; G72-F77 PolarHBondContact N-O 2.95Å; G72-F77 VanDerWaalsContact N-O 3.11Å
73	E	51.2	Low	67.6	Low	180 Å²	180	53.2 Å²	53.2	84%	0.841	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-28.1	-174.4	-67.2	-172.8	162.7	0	0	113.9
74	K	52.2	Low	67.7	Low	164 Å²	164	53 Å²	53	71%	0.713	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-8	177.3	-67.2	-179.9	178.8	177.7	0	114	E69 G72	E69-K74 WeakPolarHBondContact OE2-CB 3.48Å; E69-K74 WeakPolarHBondContact OE2-CD 3.5Å; E69-K74 IonicContact OE2-NZ 3.84Å; G72-K74 PolarHBondContact O-N 3.38Å; G72-K74 VanDerWaalsContact O-N 3.08Å
75	G	58.3	Low	68.1	Low	2 Å²	2	54.4 Å²	54.4	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-78	179.6	175.6	0	0	0	0	0	112.5	E69 H70 G72 F77 H292	E69-G75 WeakPolarHBondContact O-CA 3.32Å; H70-G75 VanDerWaalsContact C-CA 3.47Å; H70-G75 VanDerWaalsContact O-CA 3.29Å; H70-G75 WeakPolarHBondContact O-CA 3.24Å; G72-G75 PolarHBondContact O-N 3.47Å; G75-F77 VanDerWaalsContact C-N 3.27Å; G75-H292 PolarHBondContact O-CE1 3.43Å; G75-H292 PolarHBondContact O-NE2 2.91Å
76	D	58.1	Low	68.9	Low	20 Å²	20	53 Å²	53	11%	0.107	25%	0.248	C	C	.	.	S	Bend	trans	-76.7	-20.6	174.7	-70.5	-27.2	0	0	0	111.8	Y63 H70 S291 H292	Y63-D76 VanDerWaalsContact CE2-OD2 3.22Å; Y63-D76 WeakPolarHBondContact CE2-OD2 3.28Å; Y63-D76 WeakPolarHBondContact OH-CB 3.4Å; Y63-D76 PolarHBondContact OH-OD2 3.25Å; H70-D76 PolarHBondContact O-N 2.83Å; D76-S291 PolarHBondContact OD1-N 2.83Å; D76-H292 WeakPolarHBondContact O-CA 3.48Å; D76-H292 PolarHBondContact O-N 3.24Å; D76-H292 VanDerWaalsContact O-N 3.15Å; D76-H292 PolarHBondContact O-ND1 2.82Å
77	F	58.2	Low	69.7	Low	42 Å²	42	50.9 Å²	50.9	18%	0.184	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-143.5	159	176.9	-53.3	-69.1	0	0	0	114.4	G72 G75 Y289 D305	G72-F77 PolarHBondContact N-O 2.95Å; G72-F77 VanDerWaalsContact N-O 3.11Å; G75-F77 VanDerWaalsContact C-N 3.27Å; F77-Y289 HydrophobicContact CD1-CG 4.34Å; F77-Y289 AromaticContact CE1-CD1 3.54Å; F77-Y289 HydrophobicContact CE1-CD1 3.54Å; F77-Y289 AromaticContact CE1-CD2 3.44Å; F77-Y289 HydrophobicContact CE1-CD2 3.44Å; F77-Y289 VanDerWaalsContact CE1-CD2 3.44Å; F77-Y289 HydrophobicContact CE1-CE1 4.2Å; F77-Y289 HydrophobicContact CE1-CE2 4.09Å; F77-Y289 AromaticContact CE1-CG 3.09Å; F77-Y289 HydrophobicContact CE1-CG 3.09Å; F77-Y289 HydrophobicContact CZ-CD1 4.2Å; F77-Y289 AromaticContact CZ-CD2 3.23Å; F77-Y289 HydrophobicContact CZ-CD2 3.23Å; F77-Y289 HydrophobicContact CZ-CE2 4.06Å; F77-Y289 AromaticContact CZ-CG 3.29Å; F77-Y289 HydrophobicContact CZ-CG 3.29Å; F77-D305 HydrophobicContact CD2-CB 4.08Å; F77-D305 WeakPolarHBondContact CD2-OD2 3.49Å; F77-D305 HydrophobicContact CE2-CB 3.28Å; F77-D305 WeakPolarHBondContact CE2-OD2 3.45Å; F77-D305 HydrophobicContact CZ-CB 4Å
78	I	64.6	Low	71	Confident	71 Å²	71	46 Å²	46	36%	0.364	21%	0.214	S	C	.	.			trans	-108.9	103.5	165.4	-55.5	176.4	0	0	0	107.3	E82 F83	I78-E82 HydrophobicContact CG2-CB 3.92Å; I78-F83 HydrophobicContact CG2-CB 4.13Å; I78-F83 HydrophobicContact CG2-CD2 4.28Å
79	T	68.6	Low	72.3	Confident	24 Å²	24	41.2 Å²	41.2	15%	0.147	20%	0.196	C	C	.	.			trans	-72.8	158.5	173.2	52.9	0	0	0	0	111.1	F71 P81 E82 F83	F71-T79 HydrophobicContact CD1-CG2 4.32Å; T79-P81 VanDerWaalsContact C-N 3.34Å; T79-P81 VanDerWaalsContact O-N 3.16Å; T79-E82 WeakPolarHBondContact O-CB 3.5Å; T79-E82 PolarHBondContact O-N 3.41Å; T79-E82 WeakPolarHBondContact OG1-CG 3.23Å; T79-F83 PolarHBondContact O-N 2.81Å
80	S	69	Low	74	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-49.1	-42	-179	-57.9	0	0	0	0	115.8	E82 F83 S84 E190 M373	S80-E82 VanDerWaalsContact C-N 3.3Å; S80-E82 PolarHBondContact O-N 3.19Å; S80-F83 PolarHBondContact O-N 3.38Å; S80-F83 VanDerWaalsContact O-N 3.15Å; S80-S84 PolarHBondContact O-N 3.3Å; S80-S84 VanDerWaalsContact O-N 3.1Å; S80-E190 PolarHBondContact N-OE1 3.41Å; S80-M373 WeakPolarHBondContact OG-CE 3.45Å; S80-M373 PolarHBondContact OG-SD 3.37Å; S80-M373 VanDerWaalsContact OG-SD 3.35Å
81	P	71.3	Confident	75.7	Confident	14 Å²	14	36 Å²	36	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-31.8	-178.7	-22.5	35.7	0	0	0	113.3	T79 F83 L87 L120	T79-P81 VanDerWaalsContact C-N 3.34Å; T79-P81 VanDerWaalsContact O-N 3.16Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 2.95Å; P81-L87 HydrophobicContact CG-CD2 4.24Å; P81-L120 HydrophobicContact CB-CB 3.9Å; P81-L120 HydrophobicContact CG-CB 3.88Å; P81-L120 HydrophobicContact CG-CD1 4.44Å; P81-L120 HydrophobicContact CG-CD2 4.42Å; P81-L120 HydrophobicContact CG-CG 4.48Å
82	E	78.6	Confident	77.5	Confident	55 Å²	55	34 Å²	34	26%	0.257	16%	0.163	S	C	.	.	H	α-helix	trans	-68.7	-29.2	176.1	-63.2	-69	153.3	0	0	111.6	I78 T79 S80 S117 L119	I78-E82 HydrophobicContact CG2-CB 3.92Å; T79-E82 WeakPolarHBondContact O-CB 3.5Å; T79-E82 PolarHBondContact O-N 3.41Å; T79-E82 WeakPolarHBondContact OG1-CG 3.23Å; S80-E82 VanDerWaalsContact C-N 3.3Å; S80-E82 PolarHBondContact O-N 3.19Å; E82-S117 WeakPolarHBondContact OE1-CB 3.39Å; E82-S117 PolarHBondContact OE1-OG 2.97Å; E82-L119 HydrophobicContact CG-CD1 4.44Å; E82-L119 WeakPolarHBondContact OE1-CD1 3.35Å; E82-L119 WeakPolarHBondContact OE2-CD1 3.45Å
83	F	80.3	Confident	79.4	Confident	53 Å²	53	35.5 Å²	35.5	23%	0.232	17%	0.171	C	C	.	.	H	α-helix	trans	-88.6	-32.1	-175.9	-160.1	-117.6	0	0	0	113.2	I78 T79 S80 P81 F359 S363 Y366	I78-F83 HydrophobicContact CG2-CB 4.13Å; I78-F83 HydrophobicContact CG2-CD2 4.28Å; T79-F83 PolarHBondContact O-N 2.81Å; S80-F83 PolarHBondContact O-N 3.38Å; S80-F83 VanDerWaalsContact O-N 3.15Å; P81-F83 VanDerWaalsContact C-N 3.26Å; P81-F83 PolarHBondContact O-N 2.95Å; F83-F359 WeakPolarHBondContact O-CZ 3.5Å; F83-S363 VanDerWaalsContact CE1-CA 3.41Å; F83-S363 WeakPolarHBondContact O-CB 3.31Å; F83-Y366 AromaticContact CD1-CD1 3.82Å; F83-Y366 HydrophobicContact CD1-CD1 3.82Å; F83-Y366 AromaticContact CD1-CG 3.95Å; F83-Y366 HydrophobicContact CD1-CG 3.95Å; F83-Y366 VanDerWaalsContact CE1-CB 3.4Å; F83-Y366 HydrophobicContact CE1-CD1 4.03Å; F83-Y366 HydrophobicContact CE1-CD2 4.27Å; F83-Y366 AromaticContact CE1-CG 3.66Å; F83-Y366 HydrophobicContact CE1-CG 3.66Å
84	S	88.1	Confident	81.6	Confident	2 Å²	2	27 Å²	27	1%	0.014	13%	0.131	C	C	.	.			trans	-154.1	118.7	-169.7	-165.1	0	0	0	0	114.2	S80 L86 L87 S363	S80-S84 PolarHBondContact O-N 3.3Å; S80-S84 VanDerWaalsContact O-N 3.1Å; S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 WeakPolarHBondContact OG-CB 3.43Å; S84-L86 PolarHBondContact OG-N 2.74Å; S84-L87 PolarHBondContact O-N 2.82Å; S84-S363 PolarHBondContact OG-OG 2.68Å
85	Q	92.7	Very high	83.8	Confident	64 Å²	64	19.1 Å²	19.1	30%	0.299	10%	0.097	S	C	.	.	H	α-helix	trans	-58.3	-22	170.9	73.3	-176.1	-38.9	0	0	113.6	L87 G88 E89 D123 R126 L347	Q85-L87 PolarHBondContact O-N 2.95Å; Q85-G88 PolarHBondContact O-N 2.89Å; Q85-E89 VanDerWaalsContact O-CG 3.29Å; Q85-E89 WeakPolarHBondContact O-CG 3.4Å; Q85-E89 PolarHBondContact O-N 2.86Å; Q85-E89 VanDerWaalsContact O-N 3.12Å; Q85-D123 VanDerWaalsContact CA-OD2 3.29Å; Q85-D123 WeakPolarHBondContact CA-OD2 3.46Å; Q85-R126 VanDerWaalsContact OE1-NH2 3.16Å; Q85-L347 HydrophobicContact CG-CD1 4.23Å
86	L	96	Very high	85.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-36.2	-177.4	-72.2	168.9	0	0	0	112	S84 M90 M340 R343 L344 L347 Y364 L367	S84-L86 PolarHBondContact O-N 3.03Å; S84-L86 WeakPolarHBondContact OG-CB 3.43Å; S84-L86 PolarHBondContact OG-N 2.74Å; L86-M90 VanDerWaalsContact O-CG 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.2Å; L86-M90 PolarHBondContact O-N 2.97Å; L86-M340 HydrophobicContact CB-CG 4.09Å; L86-M340 HydrophobicContact CB-SD 3.75Å; L86-M340 HydrophobicContact CD1-CG 4.32Å; L86-M340 HydrophobicContact CD1-SD 4.36Å; L86-M340 HydrophobicContact CD2-CG 4.16Å; L86-M340 HydrophobicContact CG-CG 4.44Å; L86-R343 HydrophobicContact CD2-CB 4.13Å; L86-R343 HydrophobicContact CD2-CG 3.93Å; L86-L344 HydrophobicContact CD1-CB 4.47Å; L86-L344 HydrophobicContact CD1-CD1 4.28Å; L86-L347 HydrophobicContact CD2-CD1 3.62Å; L86-L347 HydrophobicContact CG-CD1 4.23Å; L86-Y364 HydrophobicContact CD1-CD2 4.08Å; L86-Y364 HydrophobicContact CD1-CG 4.46Å; L86-L367 HydrophobicContact CB-CD1 4.33Å
87	L	95.5	Very high	87.4	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-55	179.4	176.4	65.7	0	0	0	110.7	P81 S84 Q85 E89 M90 L91 H189 L335 L367	P81-L87 HydrophobicContact CG-CD2 4.24Å; S84-L87 PolarHBondContact O-N 2.82Å; Q85-L87 PolarHBondContact O-N 2.95Å; L87-E89 VanDerWaalsContact C-N 3.27Å; L87-E89 PolarHBondContact O-N 2.94Å; L87-M90 PolarHBondContact O-N 3.31Å; L87-L91 HydrophobicContact CD1-CD1 4.43Å; L87-L91 HydrophobicContact CD1-CD2 4.18Å; L87-L91 HydrophobicContact CD1-CG 4.17Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 WeakPolarHBondContact O-CG 3.19Å; L87-L91 PolarHBondContact O-N 3.4Å; L87-H189 VanDerWaalsContact CD2-NE2 3.3Å; L87-H189 WeakPolarHBondContact CD2-NE2 3.21Å; L87-L335 HydrophobicContact CD1-CD2 3.98Å; L87-L367 HydrophobicContact CB-CD1 4.24Å
88	G	96.6	Very high	89.2	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.8	-36.2	-179.5	0	0	0	0	0	113.1	Q85 A92 L120 M124	Q85-G88 PolarHBondContact O-N 2.89Å; G88-A92 WeakPolarHBondContact O-CB 3.3Å; G88-A92 PolarHBondContact O-N 2.82Å; G88-L120 VanDerWaalsContact CA-CD1 3.44Å; G88-M124 WeakPolarHBondContact O-CG 3.21Å
89	E	96.9	Very high	90.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	8%	0.081	C	C	.	.	H	α-helix	trans	-64.4	-41.5	173.5	-64.4	-174.3	176.4	0	0	112.4	Q85 L87 A92 V93 R126 T127 R343	Q85-E89 VanDerWaalsContact O-CG 3.29Å; Q85-E89 WeakPolarHBondContact O-CG 3.4Å; Q85-E89 PolarHBondContact O-N 2.86Å; Q85-E89 VanDerWaalsContact O-N 3.12Å; L87-E89 VanDerWaalsContact C-N 3.27Å; L87-E89 PolarHBondContact O-N 2.94Å; E89-A92 PolarHBondContact O-N 2.79Å; E89-V93 VanDerWaalsContact O-CG2 3.25Å; E89-V93 WeakPolarHBondContact O-CG2 3.38Å; E89-V93 PolarHBondContact O-N 2.9Å; E89-R126 IonicContact OE1-CZ 3.45Å; E89-R126 IonicContact OE1-NH1 2.99Å; E89-R126 PolarHBondContact OE1-NH1 3.13Å; E89-R126 IonicContact OE1-NH2 2.72Å; E89-R126 PolarHBondContact OE1-NH2 2.91Å; E89-T127 WeakPolarHBondContact CG-OG1 3.43Å; E89-R343 VanDerWaalsContact CD-NH2 3.28Å; E89-R343 IonicContact OE1-CZ 3.12Å; E89-R343 IonicContact OE1-NE 2.58Å; E89-R343 IonicContact OE1-NH2 2.97Å; E89-R343 PolarHBondContact OE1-NH2 2.79Å; E89-R343 WeakPolarHBondContact OE2-CD 3.41Å; E89-R343 WeakPolarHBondContact OE2-CG 3.29Å; E89-R343 IonicContact OE2-CZ 3.36Å; E89-R343 IonicContact OE2-NE 2.79Å; E89-R343 PolarHBondContact OE2-NE 3.01Å; E89-R343 IonicContact OE2-NH2 3.72Å; E89-R343 PolarHBondContact OE2-NH2 3.22Å
90	M	97.7	Very high	91.9	Very high	7 Å²	7	20 Å²	20	3%	0.034	10%	0.1	C	C	.	.	H	α-helix	trans	-68.3	-41	177.8	-67.6	-54.9	91.9	0	0	112.4	L86 L87 A92 V93 W94 L335 M338 M340 R343	L86-M90 VanDerWaalsContact O-CG 3.28Å; L86-M90 WeakPolarHBondContact O-CG 3.2Å; L86-M90 PolarHBondContact O-N 2.97Å; L87-M90 PolarHBondContact O-N 3.31Å; M90-A92 VanDerWaalsContact C-N 3.32Å; M90-A92 PolarHBondContact O-N 3.27Å; M90-V93 PolarHBondContact O-N 3.23Å; M90-W94 PolarHBondContact O-N 3.37Å; M90-L335 HydrophobicContact CB-CD2 3.77Å; M90-L335 HydrophobicContact CG-CD2 3.99Å; M90-M338 HydrophobicContact CB-CB 4.42Å; M90-M338 HydrophobicContact CG-CB 4.47Å; M90-M338 HydrophobicContact SD-CB 3.95Å; M90-M340 HydrophobicContact CG-CB 3.86Å; M90-M340 HydrophobicContact CG-CG 4.01Å; M90-M340 HydrophobicContact CG-SD 4.21Å; M90-M340 VanDerWaalsContact SD-CA 3.53Å; M90-M340 HydrophobicContact SD-CB 3.76Å; M90-M340 HydrophobicContact SD-CG 4.33Å; M90-R343 HydrophobicContact CE-CB 3.91Å; M90-R343 HydrophobicContact CE-CG 4.11Å
91	L	97.8	Very high	93	Very high	1 Å²	1	23 Å²	23	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-65.2	-37.2	177.1	-58.7	-161.6	0	0	0	111.7	L87 W94 C95 L120 M124 I187 L272 V274 F334	L87-L91 HydrophobicContact CD1-CD1 4.43Å; L87-L91 HydrophobicContact CD1-CD2 4.18Å; L87-L91 HydrophobicContact CD1-CG 4.17Å; L87-L91 HydrophobicContact CG-CG 4.42Å; L87-L91 WeakPolarHBondContact O-CG 3.19Å; L87-L91 PolarHBondContact O-N 3.4Å; L91-W94 WeakPolarHBondContact O-CB 3.31Å; L91-W94 PolarHBondContact O-N 3.42Å; L91-C95 PolarHBondContact O-N 3.4Å; L91-C95 VanDerWaalsContact O-N 3.08Å; L91-C95 PolarHBondContact O-SG 2.9Å; L91-L120 HydrophobicContact CD1-CD1 4.11Å; L91-L120 HydrophobicContact CD1-CD2 4.25Å; L91-M124 HydrophobicContact CB-CE 4.22Å; L91-M124 HydrophobicContact CB-SD 4.28Å; L91-I187 HydrophobicContact CD1-CG2 3.91Å; L91-L272 HydrophobicContact CD2-CD2 3.78Å; L91-V274 HydrophobicContact CD2-CG2 4.49Å; L91-F334 HydrophobicContact CD2-CE1 3.76Å; L91-F334 HydrophobicContact CD2-CZ 4.39Å
92	A	97.8	Very high	94	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.2	-42.4	173.8	0	0	0	0	0	112.6	G88 E89 M90 W94 C95 I96 M124 T127 F128	G88-A92 WeakPolarHBondContact O-CB 3.3Å; G88-A92 PolarHBondContact O-N 2.82Å; E89-A92 PolarHBondContact O-N 2.79Å; M90-A92 VanDerWaalsContact C-N 3.32Å; M90-A92 PolarHBondContact O-N 3.27Å; A92-W94 PolarHBondContact O-N 3.32Å; A92-C95 PolarHBondContact O-N 2.96Å; A92-I96 WeakPolarHBondContact O-CB 2.95Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 3.38Å; A92-M124 HydrophobicContact CB-CB 3.95Å; A92-M124 HydrophobicContact CB-CE 4.3Å; A92-M124 HydrophobicContact CB-CG 4.02Å; A92-T127 HydrophobicContact CB-CG2 3.77Å; A92-F128 HydrophobicContact CB-CD2 4.11Å; A92-F128 HydrophobicContact CB-CE2 3.96Å
93	V	97.7	Very high	94.6	Very high	41 Å²	41	25.8 Å²	25.8	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-38	174.6	171.7	0	0	0	0	110.9	E89 M90 I96 H97 T127 M338	E89-V93 VanDerWaalsContact O-CG2 3.25Å; E89-V93 WeakPolarHBondContact O-CG2 3.38Å; E89-V93 PolarHBondContact O-N 2.9Å; M90-V93 PolarHBondContact O-N 3.23Å; V93-I96 PolarHBondContact O-N 2.94Å; V93-H97 WeakPolarHBondContact O-CB 3.39Å; V93-H97 PolarHBondContact O-N 3.43Å; V93-T127 HydrophobicContact CG2-CG2 4.11Å; V93-M338 HydrophobicContact CB-CE 4.12Å; V93-M338 HydrophobicContact CG1-CE 3.73Å
94	W	98	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-52.5	173.5	179.6	84.2	0	0	0	111.3	M90 L91 A92 I96 H97 E98 F185 I187 A270 L272 F334 M338 A381 F383 A397	M90-W94 PolarHBondContact O-N 3.37Å; L91-W94 WeakPolarHBondContact O-CB 3.31Å; L91-W94 PolarHBondContact O-N 3.42Å; A92-W94 PolarHBondContact O-N 3.32Å; W94-I96 VanDerWaalsContact C-N 3.33Å; W94-I96 PolarHBondContact O-N 3.33Å; W94-H97 WeakPolarHBondContact O-CB 3.4Å; W94-H97 PolarHBondContact O-N 2.94Å; W94-H97 VanDerWaalsContact O-N 3.15Å; W94-E98 HydrophobicContact CD2-CG 4.09Å; W94-E98 HydrophobicContact CG-CG 4.5Å; W94-E98 HydrophobicContact CZ2-CG 3.93Å; W94-E98 WeakPolarHBondContact O-CG 3.45Å; W94-E98 PolarHBondContact O-N 3.15Å; W94-F185 HydrophobicContact CE3-CD1 4.34Å; W94-F185 HydrophobicContact CE3-CE1 4.46Å; W94-F185 HydrophobicContact CH2-CD1 4.07Å; W94-F185 AromaticContact CH2-CE1 4Å; W94-F185 HydrophobicContact CH2-CE1 4Å; W94-F185 AromaticContact CZ3-CD1 3.57Å; W94-F185 HydrophobicContact CZ3-CD1 3.57Å; W94-F185 AromaticContact CZ3-CE1 3.81Å; W94-F185 HydrophobicContact CZ3-CE1 3.81Å; W94-I187 HydrophobicContact CZ3-CD1 4.31Å; W94-A270 HydrophobicContact CH2-CB 3.86Å; W94-L272 HydrophobicContact CD2-CD1 4.45Å; W94-L272 HydrophobicContact CD2-CD2 4.01Å; W94-L272 HydrophobicContact CE3-CB 4.25Å; W94-L272 HydrophobicContact CE3-CD2 3.92Å; W94-L272 HydrophobicContact CG-CD2 4.43Å; W94-L272 HydrophobicContact CH2-CB 3.89Å; W94-L272 HydrophobicContact CH2-CD1 4.23Å; W94-L272 HydrophobicContact CZ2-CB 4.47Å; W94-L272 HydrophobicContact CZ2-CD1 3.96Å; W94-L272 HydrophobicContact CZ3-CB 3.75Å; W94-L272 HydrophobicContact CZ3-CD2 4.28Å; W94-L272 HydrophobicContact CZ3-CG 4.44Å; W94-F334 HydrophobicContact CB-CZ 4.19Å; W94-F334 AromaticContact CD1-CE2 3.81Å; W94-F334 AromaticContact CD1-CZ 3.84Å; W94-F334 HydrophobicContact CG-CE2 4.42Å; W94-F334 HydrophobicContact CG-CZ 4.02Å; W94-M338 HydrophobicContact CB-CE 3.71Å; W94-M338 HydrophobicContact CB-SD 4.18Å; W94-A381 HydrophobicContact CZ2-CB 4.44Å; W94-F383 HydrophobicContact CH2-CZ 4.44Å; W94-F383 HydrophobicContact CZ2-CE2 4.41Å; W94-F383 AromaticContact CZ2-CZ 3.75Å; W94-F383 HydrophobicContact CZ2-CZ 3.75Å; W94-A397 PolarHBondContact NE1-O 3.4Å
95	C	97.7	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57	-45.6	177.4	-64.3	0	0	0	0	112.1	L91 A92 H97 E98 V99 F128 F185	L91-C95 PolarHBondContact O-N 3.4Å; L91-C95 VanDerWaalsContact O-N 3.08Å; L91-C95 PolarHBondContact O-SG 2.9Å; A92-C95 PolarHBondContact O-N 2.96Å; C95-H97 VanDerWaalsContact C-N 3.35Å; C95-H97 PolarHBondContact O-N 3.49Å; C95-E98 PolarHBondContact O-N 3.15Å; C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.43Å; C95-V99 PolarHBondContact O-N 3.32Å; C95-F128 HydrophobicContact CB-CE1 4.49Å; C95-F128 HydrophobicContact CB-CE2 4.4Å; C95-F128 HydrophobicContact CB-CZ 3.63Å; C95-F185 HydrophobicContact CB-CD1 4.29Å; C95-F185 HydrophobicContact CB-CG 4.47Å
96	I	96.7	Very high	95.4	Very high	5 Å²	5	30.6 Å²	30.6	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-46.2	178	-69.4	165.4	0	0	0	110.6	A92 V93 W94 L100 T127 F128 F131 M133	A92-I96 WeakPolarHBondContact O-CB 2.95Å; A92-I96 VanDerWaalsContact O-CG1 3.24Å; A92-I96 WeakPolarHBondContact O-CG1 3.44Å; A92-I96 PolarHBondContact O-N 3.38Å; V93-I96 PolarHBondContact O-N 2.94Å; W94-I96 VanDerWaalsContact C-N 3.33Å; W94-I96 PolarHBondContact O-N 3.33Å; I96-L100 HydrophobicContact CG2-CD1 4.05Å; I96-L100 VanDerWaalsContact O-CG 3.25Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.4Å; I96-L100 VanDerWaalsContact O-N 3.16Å; I96-T127 HydrophobicContact CD1-CG2 4.48Å; I96-F128 HydrophobicContact CD1-CD1 3.82Å; I96-F128 HydrophobicContact CD1-CE1 4.05Å; I96-F128 HydrophobicContact CD1-CG 4.26Å; I96-F128 HydrophobicContact CG1-CD1 3.55Å; I96-F128 HydrophobicContact CG1-CE1 3.32Å; I96-F128 HydrophobicContact CG1-CG 4.4Å; I96-F128 HydrophobicContact CG1-CZ 4Å; I96-F131 HydrophobicContact CD1-CB 4.13Å; I96-F131 HydrophobicContact CD1-CD2 3.51Å; I96-F131 HydrophobicContact CD1-CE2 3.98Å; I96-F131 HydrophobicContact CD1-CG 3.83Å; I96-F131 HydrophobicContact CG2-CD1 4.21Å; I96-F131 HydrophobicContact CG2-CG 4.42Å; I96-M133 HydrophobicContact CB-SD 4.3Å; I96-M133 HydrophobicContact CG1-SD 3.99Å; I96-M133 HydrophobicContact CG2-SD 3.73Å
97	H	96.3	Very high	95.4	Very high	63 Å²	63	35.1 Å²	35.1	29%	0.292	21%	0.208	S	C	.	.	H	α-helix	trans	-59.7	-50.5	178.6	-175.9	91.2	0	0	0	111.2	V93 W94 C95 L100 Q101 A397	V93-H97 WeakPolarHBondContact O-CB 3.39Å; V93-H97 PolarHBondContact O-N 3.43Å; W94-H97 WeakPolarHBondContact O-CB 3.4Å; W94-H97 PolarHBondContact O-N 2.94Å; W94-H97 VanDerWaalsContact O-N 3.15Å; C95-H97 VanDerWaalsContact C-N 3.35Å; C95-H97 PolarHBondContact O-N 3.49Å; H97-L100 PolarHBondContact O-N 2.74Å; H97-Q101 VanDerWaalsContact NE2-CG 3.28Å; H97-Q101 WeakPolarHBondContact NE2-CG 3.48Å; H97-Q101 WeakPolarHBondContact O-CG 3.39Å; H97-Q101 PolarHBondContact O-N 2.97Å; H97-A397 HydrophobicContact CB-CB 4.36Å
98	E	96.1	Very high	95.5	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-66.2	-40.2	-176.7	-64.8	-52.1	135.9	0	0	112	W94 C95 L100 Q101 L102 F185 P396 A397	W94-E98 HydrophobicContact CD2-CG 4.09Å; W94-E98 HydrophobicContact CG-CG 4.5Å; W94-E98 HydrophobicContact CZ2-CG 3.93Å; W94-E98 WeakPolarHBondContact O-CG 3.45Å; W94-E98 PolarHBondContact O-N 3.15Å; C95-E98 PolarHBondContact O-N 3.15Å; E98-L100 VanDerWaalsContact C-N 3.27Å; E98-L100 PolarHBondContact O-N 2.87Å; E98-Q101 PolarHBondContact O-N 2.87Å; E98-L102 WeakPolarHBondContact O-CB 3.35Å; E98-L102 WeakPolarHBondContact O-CG 3.4Å; E98-L102 PolarHBondContact O-N 2.9Å; E98-F185 HydrophobicContact CB-CE1 3.55Å; E98-F185 HydrophobicContact CB-CZ 3.51Å; E98-F185 HydrophobicContact CG-CE1 4.29Å; E98-P396 WeakPolarHBondContact OE1-CA 3.42Å; E98-P396 VanDerWaalsContact OE1-CB 3.29Å; E98-P396 WeakPolarHBondContact OE1-CB 3.25Å; E98-A397 PolarHBondContact OE1-N 2.91Å
99	V	94.9	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-44.4	172.4	170.4	0	0	0	0	111.1	C95 A103 H104 F108 M133 F185	C95-V99 VanDerWaalsContact O-CG2 3.23Å; C95-V99 WeakPolarHBondContact O-CG2 3.43Å; C95-V99 PolarHBondContact O-N 3.32Å; V99-A103 PolarHBondContact O-N 3.06Å; V99-H104 HydrophobicContact CG1-CB 4.48Å; V99-H104 PolarHBondContact O-N 2.85Å; V99-F108 HydrophobicContact CG1-CD1 4.46Å; V99-F108 HydrophobicContact CG1-CE1 4.05Å; V99-F108 HydrophobicContact CG1-CZ 4.37Å; V99-F108 HydrophobicContact CG2-CD1 4.47Å; V99-F108 HydrophobicContact CG2-CD2 4.17Å; V99-F108 HydrophobicContact CG2-CE1 4.13Å; V99-F108 HydrophobicContact CG2-CE2 3.77Å; V99-F108 HydrophobicContact CG2-CG 4.49Å; V99-F108 HydrophobicContact CG2-CZ 3.75Å; V99-M133 HydrophobicContact CB-CE 4.28Å; V99-M133 HydrophobicContact CG1-CE 3.81Å; V99-F185 HydrophobicContact CB-CE2 4.41Å; V99-F185 HydrophobicContact CG2-CD2 3.83Å; V99-F185 HydrophobicContact CG2-CE2 3.26Å; V99-F185 HydrophobicContact CG2-CZ 3.9Å
100	L	94.1	Very high	95.6	Very high	105 Å²	105	36 Å²	36	55%	0.55	21%	0.212	S	C	.	.	H	α-helix	trans	-69.2	-38.5	179.3	-67.2	171.8	0	0	0	112.2	I96 H97 E98 A103	I96-L100 HydrophobicContact CG2-CD1 4.05Å; I96-L100 VanDerWaalsContact O-CG 3.25Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.4Å; I96-L100 VanDerWaalsContact O-N 3.16Å; H97-L100 PolarHBondContact O-N 2.74Å; E98-L100 VanDerWaalsContact C-N 3.27Å; E98-L100 PolarHBondContact O-N 2.87Å; L100-A103 PolarHBondContact O-N 3.36Å
101	Q	93.1	Very high	95.7	Very high	64 Å²	64	35.7 Å²	35.7	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-67.4	-36.2	176.6	-69.8	-50.3	-45.4	0	0	112.7	H97 E98 A103 Y390	H97-Q101 VanDerWaalsContact NE2-CG 3.28Å; H97-Q101 WeakPolarHBondContact NE2-CG 3.48Å; H97-Q101 WeakPolarHBondContact O-CG 3.39Å; H97-Q101 PolarHBondContact O-N 2.97Å; E98-Q101 PolarHBondContact O-N 2.87Å; Q101-A103 PolarHBondContact O-N 2.79Å; Q101-Y390 PolarHBondContact OE1-OH 2.86Å; Q101-Y390 VanDerWaalsContact OE1-OH 3.14Å
102	L	91.9	Very high	95.7	Very high	45 Å²	45	35.9 Å²	35.9	24%	0.236	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.6	176.2	-64.6	172.9	0	0	0	112.8	E98 H104 F183 F185 L387	E98-L102 WeakPolarHBondContact O-CB 3.35Å; E98-L102 WeakPolarHBondContact O-CG 3.4Å; E98-L102 PolarHBondContact O-N 2.9Å; L102-H104 PolarHBondContact O-N 2.87Å; L102-H104 VanDerWaalsContact O-N 3.12Å; L102-F183 HydrophobicContact CB-CZ 4.35Å; L102-F183 HydrophobicContact CD1-CE2 4.23Å; L102-F183 HydrophobicContact CD1-CZ 3.69Å; L102-F185 HydrophobicContact CD1-CZ 4.27Å; L102-L387 HydrophobicContact CD2-CD1 3.49Å; L102-L387 VanDerWaalsContact CD2-CD1 3.49Å; L102-L387 HydrophobicContact CD2-CD2 4.2Å
103	A	90.9	Very high	95.7	Very high	84 Å²	84	35.9 Å²	35.9	69%	0.694	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	29.9	-178.2	0	0	0	0	0	113.5	V99 L100 Q101 D105	V99-A103 PolarHBondContact O-N 3.06Å; L100-A103 PolarHBondContact O-N 3.36Å; Q101-A103 PolarHBondContact O-N 2.79Å; A103-D105 PolarHBondContact O-N 2.97Å
104	H	92	Very high	95.7	Very high	47 Å²	47	35.1 Å²	35.1	22%	0.218	21%	0.212	C	C	.	.			trans	-75.1	124.1	174.2	-176	65.5	0	0	0	108.8	V99 L102 G106 S107 R136 F183	V99-H104 HydrophobicContact CG1-CB 4.48Å; V99-H104 PolarHBondContact O-N 2.85Å; L102-H104 PolarHBondContact O-N 2.87Å; L102-H104 VanDerWaalsContact O-N 3.12Å; H104-G106 PolarHBondContact NE2-O 3.39Å; H104-S107 PolarHBondContact NE2-O 2.85Å; H104-R136 PolarHBondContact O-NH2 2.8Å; H104-F183 HydrophobicContact CB-CE1 3.98Å; H104-F183 HydrophobicContact CB-CE2 4.46Å; H104-F183 HydrophobicContact CB-CZ 3.95Å; H104-F183 AromaticContact CD2-CD1 3.54Å; H104-F183 AromaticContact CD2-CE1 3.71Å; H104-F183 AromaticContact CE1-CG 4Å; H104-F183 AromaticContact CG-CD1 3.9Å; H104-F183 AromaticContact CG-CE1 3.83Å; H104-F183 AromaticContact NE2-CD1 3.73Å; H104-F183 AromaticContact NE2-CG 3.98Å
105	D	91.1	Very high	95.5	Very high	145 Å²	145	35.4 Å²	35.4	78%	0.775	21%	0.214	S	C	*	.			trans	-105.5	-18.3	-179	63.5	-12.1	0	0	0	113.1	A103 R136	A103-D105 PolarHBondContact O-N 2.97Å; D105-R136 PolarHBondContact O-NE 2.83Å; D105-R136 PolarHBondContact O-NH2 3.21Å
106	G	93.9	Very high	95.3	Very high	27 Å²	27	35.9 Å²	35.9	28%	0.278	22%	0.219	S	C	.	.	S	Bend	trans	-74.5	-176.2	179.5	0	0	0	0	0	115.2	H104 R136	H104-G106 PolarHBondContact NE2-O 3.39Å; G106-R136 PolarHBondContact O-NE 3.08Å; G106-R136 VanDerWaalsContact O-NE 3.07Å; G106-R136 PolarHBondContact O-NH2 3.43Å
107	S	96.2	Very high	95	Very high	96 Å²	96	37 Å²	37	67%	0.671	23%	0.227	S	C	*	.			trans	-69	155.4	168.1	55.7	0	0	0	0	111.1	H104 R136	H104-S107 PolarHBondContact NE2-O 2.85Å; S107-R136 CarbonylContact C-O 3.47Å; S107-R136 WeakPolarHBondContact CA-O 3.47Å; S107-R136 WeakPolarHBondContact CB-O 3.24Å
108	F	97.6	Very high	94.9	Very high	3 Å²	3	34 Å²	34	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	155.6	177	61	-83.1	0	0	0	111.8	V99 F128 M133 R136 L137 S138 F183 F185	V99-F108 HydrophobicContact CG1-CD1 4.46Å; V99-F108 HydrophobicContact CG1-CE1 4.05Å; V99-F108 HydrophobicContact CG1-CZ 4.37Å; V99-F108 HydrophobicContact CG2-CD1 4.47Å; V99-F108 HydrophobicContact CG2-CD2 4.17Å; V99-F108 HydrophobicContact CG2-CE1 4.13Å; V99-F108 HydrophobicContact CG2-CE2 3.77Å; V99-F108 HydrophobicContact CG2-CG 4.49Å; V99-F108 HydrophobicContact CG2-CZ 3.75Å; F108-F128 HydrophobicContact CE2-CE1 4.25Å; F108-F128 HydrophobicContact CE2-CZ 4.49Å; F108-F128 HydrophobicContact CZ-CE1 4.01Å; F108-M133 HydrophobicContact CE1-CE 3.98Å; F108-M133 HydrophobicContact CZ-CE 3.95Å; F108-R136 HydrophobicContact CD1-CB 4.22Å; F108-R136 HydrophobicContact CE1-CB 3.93Å; F108-R136 PolarHBondContact N-O 3.05Å; F108-L137 HydrophobicContact CD1-CD2 4.41Å; F108-L137 HydrophobicContact CD2-CD2 3.71Å; F108-L137 HydrophobicContact CE1-CD2 3.88Å; F108-L137 HydrophobicContact CE2-CD2 3.1Å; F108-L137 HydrophobicContact CG-CD2 4.33Å; F108-L137 HydrophobicContact CZ-CD2 3.2Å; F108-L137 HydrophobicContact CZ-CG 4.39Å; F108-L137 WeakPolarHBondContact O-CA 3.41Å; F108-S138 PolarHBondContact O-N 3.34Å; F108-F183 VanDerWaalsContact CA-O 3.31Å; F108-F183 WeakPolarHBondContact CA-O 3.34Å; F108-F183 HydrophobicContact CB-CD1 3.67Å; F108-F183 HydrophobicContact CB-CE1 4.4Å; F108-F183 WeakPolarHBondContact CB-O 3.35Å; F108-F185 HydrophobicContact CD2-CD2 4.24Å
109	N	98.2	Very high	94.8	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.107	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.3	178.5	-55.2	-34.8	0	0	0	109.4	V111 S138 H140 P180 F183 S184 F185	N109-V111 HydrophobicContact CB-CG2 3.98Å; N109-S138 CarbonylContact C-O 3.39Å; N109-S138 VanDerWaalsContact CA-O 3.31Å; N109-S138 WeakPolarHBondContact CA-O 3.32Å; N109-H140 PolarHBondContact OD1-NE2 3.14Å; N109-P180 PolarHBondContact ND2-O 3.18Å; N109-F183 PolarHBondContact N-O 3.2Å; N109-S184 WeakPolarHBondContact CB-OG 3.46Å; N109-S184 PolarHBondContact ND2-OG 3.31Å; N109-S184 VanDerWaalsContact ND2-OG 3.11Å; N109-S184 WeakPolarHBondContact O-CA 3.4Å; N109-F185 PolarHBondContact O-N 3Å
110	L	98.4	Very high	94.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.7	164.6	-178.1	65.6	0	0	0	107.6	M121 M124 L125 F128 L137 S138 V139 H140 F185 I187	L110-M121 HydrophobicContact CD2-CE 4.08Å; L110-M121 HydrophobicContact CD2-SD 3.66Å; L110-M121 HydrophobicContact CG-CE 4.07Å; L110-M121 HydrophobicContact CG-SD 4.27Å; L110-M124 HydrophobicContact CD1-CE 3.84Å; L110-M124 HydrophobicContact CD2-CE 4.24Å; L110-L125 HydrophobicContact CD2-CD2 4.2Å; L110-F128 HydrophobicContact CD1-CE2 4.37Å; L110-F128 HydrophobicContact CD2-CD2 4.13Å; L110-F128 HydrophobicContact CD2-CE2 3.61Å; L110-F128 HydrophobicContact CD2-CZ 4.35Å; L110-L137 HydrophobicContact CB-CD2 4.31Å; L110-S138 PolarHBondContact N-O 3.48Å; L110-V139 WeakPolarHBondContact O-CA 3.37Å; L110-H140 PolarHBondContact O-N 3.44Å; L110-F185 HydrophobicContact CD1-CB 4.27Å; L110-I187 HydrophobicContact CD1-CG1 4.48Å
111	V	98.7	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.1	-171.4	-166.8	0	0	0	0	109.5	N109 L113 H140 V142 V179 F185 F186 I187	N109-V111 HydrophobicContact CB-CG2 3.98Å; V111-L113 HydrophobicContact CG1-CD1 4.15Å; V111-H140 CarbonylContact C-O 3.57Å; V111-H140 WeakPolarHBondContact CA-O 3.4Å; V111-H140 HydrophobicContact CB-CB 4.4Å; V111-H140 HydrophobicContact CG1-CB 4.09Å; V111-H140 HydrophobicContact CG2-CB 4.1Å; V111-V142 HydrophobicContact CG1-CG2 4.07Å; V111-V179 HydrophobicContact CG1-CG1 4.4Å; V111-V179 HydrophobicContact CG1-CG2 4.01Å; V111-V179 HydrophobicContact CG2-CG1 3.96Å; V111-F185 PolarHBondContact N-O 2.87Å; V111-F186 HydrophobicContact CB-CD1 3.54Å; V111-F186 HydrophobicContact CB-CE1 3.94Å; V111-F186 HydrophobicContact CB-CG 4.27Å; V111-F186 HydrophobicContact CG1-CD1 3.69Å; V111-F186 HydrophobicContact CG1-CE1 3.95Å; V111-F186 HydrophobicContact CG2-CD1 3.84Å; V111-F186 HydrophobicContact CG2-CE1 3.75Å; V111-F186 HydrophobicContact CG2-CZ 4.4Å; V111-F186 CarbonylContact O-C 3.59Å; V111-F186 WeakPolarHBondContact O-CA 3.24Å; V111-I187 PolarHBondContact O-N 3.24Å
112	E	98.6	Very high	95.3	Very high	5 Å²	5	29.3 Å²	29.3	2%	0.023	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.6	173.3	-172.5	175.9	163.2	0	0	110.5	P115 L120 M121 H140 M141 V142 I187	E112-P115 HydrophobicContact CB-CB 4.4Å; E112-P115 HydrophobicContact CG-CB 3.87Å; E112-P115 VanDerWaalsContact OE1-CA 3.27Å; E112-P115 WeakPolarHBondContact OE1-CA 3.36Å; E112-P115 WeakPolarHBondContact OE1-CB 3.45Å; E112-L120 WeakPolarHBondContact OE1-CB 3.34Å; E112-L120 WeakPolarHBondContact OE1-CD2 3.28Å; E112-M121 HydrophobicContact CB-CE 3.54Å; E112-M121 WeakPolarHBondContact OE2-CA 3.43Å; E112-M121 WeakPolarHBondContact OE2-CB 3.47Å; E112-M121 VanDerWaalsContact OE2-CE 3.31Å; E112-M121 WeakPolarHBondContact OE2-CE 3.36Å; E112-M121 PolarHBondContact OE2-N 2.96Å; E112-M121 VanDerWaalsContact OE2-N 3.13Å; E112-H140 PolarHBondContact N-O 2.96Å; E112-M141 HydrophobicContact CB-CE 3.94Å; E112-M141 HydrophobicContact CB-SD 4.47Å; E112-M141 HydrophobicContact CG-CE 4.44Å; E112-V142 PolarHBondContact O-N 3.4Å; E112-I187 CarbonylContact C-O 3.48Å; E112-I187 WeakPolarHBondContact CA-O 3.29Å
113	L	98.4	Very high	95.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.7	177.5	-77.5	66.1	0	0	0	109.4	V111 V142 V176 F186 I187 A188 F191 V256 L260	V111-L113 HydrophobicContact CG1-CD1 4.15Å; L113-V142 HydrophobicContact CD1-CG2 4.44Å; L113-V142 HydrophobicContact CG-CB 4.31Å; L113-V142 HydrophobicContact CG-CG2 4.44Å; L113-V176 HydrophobicContact CD1-CG2 4.35Å; L113-V176 HydrophobicContact CD2-CG2 3.73Å; L113-V176 HydrophobicContact CG-CG2 4.06Å; L113-F186 HydrophobicContact CD1-CB 4.49Å; L113-F186 HydrophobicContact CD1-CD1 4.25Å; L113-I187 PolarHBondContact N-O 2.9Å; L113-A188 HydrophobicContact CB-CB 4.17Å; L113-A188 HydrophobicContact CD2-CB 4.37Å; L113-F191 HydrophobicContact CB-CD1 4.3Å; L113-F191 HydrophobicContact CB-CD2 3.95Å; L113-F191 HydrophobicContact CB-CE1 4.49Å; L113-F191 HydrophobicContact CB-CE2 4.11Å; L113-F191 HydrophobicContact CB-CG 4.04Å; L113-F191 HydrophobicContact CB-CZ 4.39Å; L113-F191 HydrophobicContact CD2-CD1 4.27Å; L113-F191 HydrophobicContact CD2-CE1 4.03Å; L113-F191 HydrophobicContact CD2-CZ 4.33Å; L113-V256 HydrophobicContact CD2-CG1 3.7Å; L113-L260 HydrophobicContact CD1-CD2 4.41Å; L113-L260 HydrophobicContact CD2-CD1 4.2Å; L113-L260 HydrophobicContact CD2-CD2 4.36Å
114	G	95.9	Very high	95.8	Very high	24 Å²	24	24.2 Å²	24.2	25%	0.247	15%	0.153	C	C	.	.	S	Bend	trans	55.3	59.3	-178.6	0	0	0	0	0	113.4	G116 V142	G114-G116 PolarHBondContact O-N 3.29Å; G114-V142 PolarHBondContact N-O 2.81Å
115	P	95.6	Very high	96.1	Very high	7 Å²	7	22 Å²	22	5%	0.045	14%	0.143	C	C	.	.			trans	-70.7	-0.4	-169.7	31.5	-40.3	0	0	0	116	E112 S117 G118 M141 V142 E143	E112-P115 HydrophobicContact CB-CB 4.4Å; E112-P115 HydrophobicContact CG-CB 3.87Å; E112-P115 VanDerWaalsContact OE1-CA 3.27Å; E112-P115 WeakPolarHBondContact OE1-CA 3.36Å; E112-P115 WeakPolarHBondContact OE1-CB 3.45Å; P115-S117 PolarHBondContact O-N 3.26Å; P115-S117 VanDerWaalsContact O-N 3.14Å; P115-G118 WeakPolarHBondContact O-CA 3.48Å; P115-G118 PolarHBondContact O-N 3.47Å; P115-M141 HydrophobicContact CB-CE 3.09Å; P115-M141 HydrophobicContact CG-CB 4.32Å; P115-M141 HydrophobicContact CG-CE 3.44Å; P115-M141 VanDerWaalsContact CG-CE 3.44Å; P115-V142 WeakPolarHBondContact CD-O 3.29Å; P115-E143 HydrophobicContact CG-CB 4.34Å
116	G	92.3	Very high	96.3	Very high	10 Å²	10	17.6 Å²	17.6	10%	0.103	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	-117.2	179.3	0	0	0	0	0	112.4	G114 G118 Q152	G114-G116 PolarHBondContact O-N 3.29Å; G116-G118 VanDerWaalsContact C-N 3.29Å; G116-G118 PolarHBondContact O-N 3.33Å; G116-Q152 PolarHBondContact O-NE2 3.39Å
117	S	90.6	Very high	96.4	Very high	28 Å²	28	16.8 Å²	16.8	20%	0.196	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-18.7	176.1	63.4	0	0	0	0	114.3	E82 P115 L119 L155	E82-S117 WeakPolarHBondContact OE1-CB 3.39Å; E82-S117 PolarHBondContact OE1-OG 2.97Å; P115-S117 PolarHBondContact O-N 3.26Å; P115-S117 VanDerWaalsContact O-N 3.14Å; S117-L119 WeakPolarHBondContact OG-CG 3.5Å; S117-L119 PolarHBondContact OG-N 2.85Å; S117-L155 VanDerWaalsContact O-CD2 3.31Å; S117-L155 WeakPolarHBondContact O-CD2 3.32Å
118	G	94.6	Very high	96.5	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.073	C	C	.	.	S	Bend	trans	85	4.4	-171.5	0	0	0	0	0	114.3	P115 G116 L120 M121 S122	P115-G118 WeakPolarHBondContact O-CA 3.48Å; P115-G118 PolarHBondContact O-N 3.47Å; G116-G118 VanDerWaalsContact C-N 3.29Å; G116-G118 PolarHBondContact O-N 3.33Å; G118-L120 VanDerWaalsContact C-N 3.31Å; G118-L120 PolarHBondContact O-N 3Å; G118-M121 PolarHBondContact O-N 3.48Å; G118-S122 WeakPolarHBondContact O-CB 3.35Å; G118-S122 PolarHBondContact O-N 3.43Å
119	L	94.6	Very high	96.4	Very high	50 Å²	50	13.9 Å²	13.9	26%	0.262	9%	0.086	S	C	.	.	H	α-helix	trans	-62.9	-36.3	178.1	-76.4	-179.3	0	0	0	112.8	E82 S117 S122 D123 L155	E82-L119 HydrophobicContact CG-CD1 4.44Å; E82-L119 WeakPolarHBondContact OE1-CD1 3.35Å; E82-L119 WeakPolarHBondContact OE2-CD1 3.45Å; S117-L119 WeakPolarHBondContact OG-CG 3.5Å; S117-L119 PolarHBondContact OG-N 2.85Å; L119-S122 WeakPolarHBondContact O-CB 3.41Å; L119-S122 PolarHBondContact O-N 3.23Å; L119-D123 PolarHBondContact O-N 2.96Å; L119-L155 HydrophobicContact CD2-CD1 4.27Å; L119-L155 HydrophobicContact CD2-CD2 3.91Å; L119-L155 HydrophobicContact CG-CD2 4.24Å
120	L	96.9	Very high	96.2	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-55.4	176.8	178	57.4	0	0	0	110.6	P81 G88 L91 E112 G118 S122 D123 M124 I187 H189	P81-L120 HydrophobicContact CB-CB 3.9Å; P81-L120 HydrophobicContact CG-CB 3.88Å; P81-L120 HydrophobicContact CG-CD1 4.44Å; P81-L120 HydrophobicContact CG-CD2 4.42Å; P81-L120 HydrophobicContact CG-CG 4.48Å; G88-L120 VanDerWaalsContact CA-CD1 3.44Å; L91-L120 HydrophobicContact CD1-CD1 4.11Å; L91-L120 HydrophobicContact CD1-CD2 4.25Å; E112-L120 WeakPolarHBondContact OE1-CB 3.34Å; E112-L120 WeakPolarHBondContact OE1-CD2 3.28Å; G118-L120 VanDerWaalsContact C-N 3.31Å; G118-L120 PolarHBondContact O-N 3Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3.44Å; L120-D123 PolarHBondContact O-N 2.93Å; L120-M124 HydrophobicContact CD1-CG 4.28Å; L120-M124 HydrophobicContact CD1-SD 4.33Å; L120-M124 HydrophobicContact CG-SD 4.22Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.48Å; L120-M124 PolarHBondContact O-N 3.2Å; L120-I187 HydrophobicContact CD2-CG2 4.21Å; L120-H189 HydrophobicContact CD2-CB 3.77Å
121	M	97.7	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-53	-44.5	172.4	-171.2	52.6	59.1	0	0	112.1	L110 E112 G118 D123 M124 L125 V139 M141 L156	L110-M121 HydrophobicContact CD2-CE 4.08Å; L110-M121 HydrophobicContact CD2-SD 3.66Å; L110-M121 HydrophobicContact CG-CE 4.07Å; L110-M121 HydrophobicContact CG-SD 4.27Å; E112-M121 HydrophobicContact CB-CE 3.54Å; E112-M121 WeakPolarHBondContact OE2-CA 3.43Å; E112-M121 WeakPolarHBondContact OE2-CB 3.47Å; E112-M121 VanDerWaalsContact OE2-CE 3.31Å; E112-M121 WeakPolarHBondContact OE2-CE 3.36Å; E112-M121 PolarHBondContact OE2-N 2.96Å; E112-M121 VanDerWaalsContact OE2-N 3.13Å; G118-M121 PolarHBondContact O-N 3.48Å; M121-D123 PolarHBondContact O-N 3.12Å; M121-M124 PolarHBondContact O-N 3.27Å; M121-L125 HydrophobicContact CG-CD1 3.74Å; M121-L125 HydrophobicContact CG-CG 3.98Å; M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 WeakPolarHBondContact O-CG 3.38Å; M121-L125 PolarHBondContact O-N 2.82Å; M121-L125 HydrophobicContact SD-CD1 4.05Å; M121-L125 HydrophobicContact SD-CD2 3.95Å; M121-L125 HydrophobicContact SD-CG 3.74Å; M121-V139 HydrophobicContact CE-CG1 4Å; M121-V139 HydrophobicContact CG-CG1 4Å; M121-V139 HydrophobicContact SD-CG1 3.62Å; M121-M141 HydrophobicContact CB-CE 3.95Å; M121-M141 HydrophobicContact CB-SD 4.32Å; M121-M141 HydrophobicContact CE-CE 4.22Å; M121-M141 HydrophobicContact CE-SD 3.8Å; M121-M141 HydrophobicContact CG-CE 4.18Å; M121-M141 HydrophobicContact CG-SD 3.88Å; M121-M141 HydrophobicContact SD-SD 4.47Å; M121-L156 HydrophobicContact CB-CD1 4.14Å; M121-L156 HydrophobicContact CB-CD2 4.2Å; M121-L156 HydrophobicContact CG-CD1 4.05Å; M121-L156 HydrophobicContact CG-CD2 4.22Å
122	S	96.3	Very high	95.8	Very high	20 Å²	20	32 Å²	32	14%	0.14	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-48.1	179.4	176.7	0	0	0	0	112	G118 L119 L120 L125 R126	G118-S122 WeakPolarHBondContact O-CB 3.35Å; G118-S122 PolarHBondContact O-N 3.43Å; L119-S122 WeakPolarHBondContact O-CB 3.41Å; L119-S122 PolarHBondContact O-N 3.23Å; L120-S122 VanDerWaalsContact C-N 3.27Å; L120-S122 PolarHBondContact O-N 3.44Å; S122-L125 PolarHBondContact O-N 3.46Å; S122-R126 VanDerWaalsContact O-CB 3.29Å; S122-R126 WeakPolarHBondContact O-CB 3.49Å; S122-R126 PolarHBondContact O-N 2.78Å
123	D	96.5	Very high	95.5	Very high	22 Å²	22	32.5 Å²	32.5	12%	0.118	17%	0.17	C	C	.	.	H	α-helix	trans	-66.8	-37	177	-79.5	-34.2	0	0	0	112.7	Q85 L119 L120 M121 R126 T127	Q85-D123 VanDerWaalsContact CA-OD2 3.29Å; Q85-D123 WeakPolarHBondContact CA-OD2 3.46Å; L119-D123 PolarHBondContact O-N 2.96Å; L120-D123 PolarHBondContact O-N 2.93Å; M121-D123 PolarHBondContact O-N 3.12Å; D123-R126 IonicContact OD1-CZ 3.59Å; D123-R126 IonicContact OD1-NE 2.78Å; D123-R126 PolarHBondContact OD1-NE 2.85Å; D123-R126 IonicContact OD1-NH2 3.36Å; D123-R126 PolarHBondContact OD1-NH2 2.83Å; D123-T127 PolarHBondContact O-N 3.12Å; D123-T127 PolarHBondContact O-OG1 3.31Å
124	M	97.7	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-51.5	175.7	-71	-174.9	73.9	0	0	111	G88 L91 A92 L110 L120 M121 R126 T127 F128 I187	G88-M124 WeakPolarHBondContact O-CG 3.21Å; L91-M124 HydrophobicContact CB-CE 4.22Å; L91-M124 HydrophobicContact CB-SD 4.28Å; A92-M124 HydrophobicContact CB-CB 3.95Å; A92-M124 HydrophobicContact CB-CE 4.3Å; A92-M124 HydrophobicContact CB-CG 4.02Å; L110-M124 HydrophobicContact CD1-CE 3.84Å; L110-M124 HydrophobicContact CD2-CE 4.24Å; L120-M124 HydrophobicContact CD1-CG 4.28Å; L120-M124 HydrophobicContact CD1-SD 4.33Å; L120-M124 HydrophobicContact CG-SD 4.22Å; L120-M124 VanDerWaalsContact O-CG 3.32Å; L120-M124 WeakPolarHBondContact O-CG 3.48Å; L120-M124 PolarHBondContact O-N 3.2Å; M121-M124 PolarHBondContact O-N 3.27Å; M124-R126 VanDerWaalsContact C-N 3.33Å; M124-R126 PolarHBondContact O-N 3.36Å; M124-T127 CarbonylContact O-C 3.53Å; M124-T127 WeakPolarHBondContact O-CA 3.17Å; M124-T127 VanDerWaalsContact O-CB 3.3Å; M124-T127 WeakPolarHBondContact O-CB 3.31Å; M124-T127 PolarHBondContact O-N 3.48Å; M124-F128 HydrophobicContact CE-CE2 4.32Å; M124-F128 WeakPolarHBondContact O-CD2 3.45Å; M124-F128 PolarHBondContact O-N 3.21Å; M124-I187 HydrophobicContact CE-CD1 4.42Å; M124-I187 HydrophobicContact CE-CG1 3.97Å; M124-I187 HydrophobicContact SD-CG1 4.33Å
125	L	97.3	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-41.3	179.4	-67.4	178.1	0	0	0	112.4	L110 M121 S122 T127 F128 S129 L137 V139 L156 T164 F166 Q168	L110-L125 HydrophobicContact CD2-CD2 4.2Å; M121-L125 HydrophobicContact CG-CD1 3.74Å; M121-L125 HydrophobicContact CG-CG 3.98Å; M121-L125 WeakPolarHBondContact O-CB 3.5Å; M121-L125 WeakPolarHBondContact O-CG 3.38Å; M121-L125 PolarHBondContact O-N 2.82Å; M121-L125 HydrophobicContact SD-CD1 4.05Å; M121-L125 HydrophobicContact SD-CD2 3.95Å; M121-L125 HydrophobicContact SD-CG 3.74Å; S122-L125 PolarHBondContact O-N 3.46Å; L125-T127 PolarHBondContact O-N 3.3Å; L125-F128 PolarHBondContact O-N 2.72Å; L125-S129 PolarHBondContact O-N 2.99Å; L125-L137 HydrophobicContact CD2-CD1 4.01Å; L125-V139 HydrophobicContact CD1-CG2 4.32Å; L125-V139 HydrophobicContact CD2-CG2 3.73Å; L125-L156 HydrophobicContact CD1-CD2 4.43Å; L125-T164 HydrophobicContact CD1-CG2 3.79Å; L125-F166 HydrophobicContact CB-CD2 3.6Å; L125-F166 HydrophobicContact CB-CE2 3.74Å; L125-F166 HydrophobicContact CD1-CD2 4.46Å; L125-Q168 VanDerWaalsContact CD1-NE2 3.33Å
126	R	96.2	Very high	95.1	Very high	53 Å²	53	39.7 Å²	39.7	20%	0.2	21%	0.208	C	C	.	.	H	α-helix	trans	-58.2	-38.7	171	-178.2	175.8	57.6	75.5	-4.3	111.1	Q85 E89 S122 D123 M124 S129 H130 F166	Q85-R126 VanDerWaalsContact OE1-NH2 3.16Å; E89-R126 IonicContact OE1-CZ 3.45Å; E89-R126 IonicContact OE1-NH1 2.99Å; E89-R126 PolarHBondContact OE1-NH1 3.13Å; E89-R126 IonicContact OE1-NH2 2.72Å; E89-R126 PolarHBondContact OE1-NH2 2.91Å; S122-R126 VanDerWaalsContact O-CB 3.29Å; S122-R126 WeakPolarHBondContact O-CB 3.49Å; S122-R126 PolarHBondContact O-N 2.78Å; D123-R126 IonicContact OD1-CZ 3.59Å; D123-R126 IonicContact OD1-NE 2.78Å; D123-R126 PolarHBondContact OD1-NE 2.85Å; D123-R126 IonicContact OD1-NH2 3.36Å; D123-R126 PolarHBondContact OD1-NH2 2.83Å; M124-R126 VanDerWaalsContact C-N 3.33Å; M124-R126 PolarHBondContact O-N 3.36Å; R126-S129 PolarHBondContact O-OG 2.95Å; R126-H130 PolarHBondContact O-CE1 2.95Å; R126-H130 PolarHBondContact O-ND1 2.89Å; R126-F166 VanDerWaalsContact CA-CZ 3.47Å; R126-F166 HydrophobicContact CB-CE1 4.44Å; R126-F166 HydrophobicContact CB-CE2 4.29Å; R126-F166 HydrophobicContact CB-CZ 3.7Å; R126-F166 HydrophobicContact CG-CZ 4.27Å
127	T	96.7	Very high	95.3	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.205	C	C	.	.	H	α-helix	trans	-69	-48.4	176.4	-56.8	0	0	0	0	111.2	E89 A92 V93 I96 D123 M124 L125 S129 H130 F131	E89-T127 WeakPolarHBondContact CG-OG1 3.43Å; A92-T127 HydrophobicContact CB-CG2 3.77Å; V93-T127 HydrophobicContact CG2-CG2 4.11Å; I96-T127 HydrophobicContact CD1-CG2 4.48Å; D123-T127 PolarHBondContact O-N 3.12Å; D123-T127 PolarHBondContact O-OG1 3.31Å; M124-T127 CarbonylContact O-C 3.53Å; M124-T127 WeakPolarHBondContact O-CA 3.17Å; M124-T127 VanDerWaalsContact O-CB 3.3Å; M124-T127 WeakPolarHBondContact O-CB 3.31Å; M124-T127 PolarHBondContact O-N 3.48Å; L125-T127 PolarHBondContact O-N 3.3Å; T127-S129 PolarHBondContact O-N 2.79Å; T127-H130 WeakPolarHBondContact O-CB 3.41Å; T127-H130 PolarHBondContact O-N 2.86Å; T127-F131 HydrophobicContact CG2-CD2 4.44Å; T127-F131 HydrophobicContact CG2-CE2 4.13Å; T127-F131 WeakPolarHBondContact O-CD2 3.36Å
128	F	97	Very high	95.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-34.8	175.4	-82.1	-79.2	0	0	0	113	A92 C95 I96 F108 L110 M124 L125 H130 F131 E132 M133 T134 L137	A92-F128 HydrophobicContact CB-CD2 4.11Å; A92-F128 HydrophobicContact CB-CE2 3.96Å; C95-F128 HydrophobicContact CB-CE1 4.49Å; C95-F128 HydrophobicContact CB-CE2 4.4Å; C95-F128 HydrophobicContact CB-CZ 3.63Å; I96-F128 HydrophobicContact CD1-CD1 3.82Å; I96-F128 HydrophobicContact CD1-CE1 4.05Å; I96-F128 HydrophobicContact CD1-CG 4.26Å; I96-F128 HydrophobicContact CG1-CD1 3.55Å; I96-F128 HydrophobicContact CG1-CE1 3.32Å; I96-F128 HydrophobicContact CG1-CG 4.4Å; I96-F128 HydrophobicContact CG1-CZ 4Å; F108-F128 HydrophobicContact CE2-CE1 4.25Å; F108-F128 HydrophobicContact CE2-CZ 4.49Å; F108-F128 HydrophobicContact CZ-CE1 4.01Å; L110-F128 HydrophobicContact CD1-CE2 4.37Å; L110-F128 HydrophobicContact CD2-CD2 4.13Å; L110-F128 HydrophobicContact CD2-CE2 3.61Å; L110-F128 HydrophobicContact CD2-CZ 4.35Å; M124-F128 HydrophobicContact CE-CE2 4.32Å; M124-F128 WeakPolarHBondContact O-CD2 3.45Å; M124-F128 PolarHBondContact O-N 3.21Å; L125-F128 PolarHBondContact O-N 2.72Å; F128-H130 VanDerWaalsContact C-N 3.27Å; F128-H130 PolarHBondContact O-N 3.02Å; F128-F131 PolarHBondContact O-N 2.97Å; F128-F131 VanDerWaalsContact O-N 3.13Å; F128-E132 PolarHBondContact O-N 3.47Å; F128-M133 HydrophobicContact CD1-CB 4.03Å; F128-M133 PolarHBondContact O-N 3.08Å; F128-T134 HydrophobicContact CB-CG2 3.96Å; F128-L137 HydrophobicContact CB-CD1 3.93Å; F128-L137 HydrophobicContact CD1-CD1 3.94Å; F128-L137 HydrophobicContact CD1-CD2 4.44Å; F128-L137 HydrophobicContact CD2-CD1 3.98Å; F128-L137 HydrophobicContact CE1-CD1 4.4Å; F128-L137 HydrophobicContact CE1-CD2 4.24Å; F128-L137 HydrophobicContact CE2-CD1 4.49Å; F128-L137 HydrophobicContact CG-CD1 3.7Å
129	S	95.8	Very high	95.8	Very high	39 Å²	39	39.2 Å²	39.2	27%	0.273	20%	0.202	S	C	.	.	H	α-helix	trans	-65.4	-29.9	178.4	82.7	0	0	0	0	112.7	L125 R126 T127 F131 E132	L125-S129 PolarHBondContact O-N 2.99Å; R126-S129 PolarHBondContact O-OG 2.95Å; T127-S129 PolarHBondContact O-N 2.79Å; S129-F131 VanDerWaalsContact C-N 3.26Å; S129-F131 PolarHBondContact O-N 2.58Å; S129-E132 PolarHBondContact O-N 3.48Å
130	H	94.8	Very high	96	Very high	124 Å²	124	36.9 Å²	36.9	57%	0.574	19%	0.19	S	C	*	.	H	α-helix	trans	-73.8	-17.3	176.3	-68.2	86.9	0	0	0	113.2	R126 T127 F128	R126-H130 PolarHBondContact O-CE1 2.95Å; R126-H130 PolarHBondContact O-ND1 2.89Å; T127-H130 WeakPolarHBondContact O-CB 3.41Å; T127-H130 PolarHBondContact O-N 2.86Å; F128-H130 VanDerWaalsContact C-N 3.27Å; F128-H130 PolarHBondContact O-N 3.02Å
131	F	94.7	Very high	96.1	Very high	108 Å²	108	36.8 Å²	36.8	47%	0.474	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	7.3	176.3	-70.9	-95.1	0	0	0	112.5	I96 T127 F128 S129 M133	I96-F131 HydrophobicContact CD1-CB 4.13Å; I96-F131 HydrophobicContact CD1-CD2 3.51Å; I96-F131 HydrophobicContact CD1-CE2 3.98Å; I96-F131 HydrophobicContact CD1-CG 3.83Å; I96-F131 HydrophobicContact CG2-CD1 4.21Å; I96-F131 HydrophobicContact CG2-CG 4.42Å; T127-F131 HydrophobicContact CG2-CD2 4.44Å; T127-F131 HydrophobicContact CG2-CE2 4.13Å; T127-F131 WeakPolarHBondContact O-CD2 3.36Å; F128-F131 PolarHBondContact O-N 2.97Å; F128-F131 VanDerWaalsContact O-N 3.13Å; S129-F131 VanDerWaalsContact C-N 3.26Å; S129-F131 PolarHBondContact O-N 2.58Å; F131-M133 HydrophobicContact CB-CG 4.27Å; F131-M133 HydrophobicContact CB-SD 4.43Å; F131-M133 WeakPolarHBondContact O-CG 3.42Å; F131-M133 PolarHBondContact O-N 3.41Å; F131-M133 VanDerWaalsContact O-N 3.13Å
132	E	92.8	Very high	96.1	Very high	168 Å²	168	37.2 Å²	37.2	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.5	-179.7	-54.3	-175.9	142.5	0	0	113.7	F128 S129	F128-E132 PolarHBondContact O-N 3.47Å; S129-E132 PolarHBondContact O-N 3.48Å
133	M	93.5	Very high	96.1	Very high	15 Å²	15	37 Å²	37	7%	0.074	19%	0.189	C	C	.	.			trans	-99.1	-4.5	-177.4	-72.2	-175.9	73.3	0	0	113.8	I96 V99 F108 F128 F131 S135 R136	I96-M133 HydrophobicContact CB-SD 4.3Å; I96-M133 HydrophobicContact CG1-SD 3.99Å; I96-M133 HydrophobicContact CG2-SD 3.73Å; V99-M133 HydrophobicContact CB-CE 4.28Å; V99-M133 HydrophobicContact CG1-CE 3.81Å; F108-M133 HydrophobicContact CE1-CE 3.98Å; F108-M133 HydrophobicContact CZ-CE 3.95Å; F128-M133 HydrophobicContact CD1-CB 4.03Å; F128-M133 PolarHBondContact O-N 3.08Å; F131-M133 HydrophobicContact CB-CG 4.27Å; F131-M133 HydrophobicContact CB-SD 4.43Å; F131-M133 WeakPolarHBondContact O-CG 3.42Å; F131-M133 PolarHBondContact O-N 3.41Å; F131-M133 VanDerWaalsContact O-N 3.13Å; M133-S135 PolarHBondContact O-N 2.96Å; M133-R136 WeakPolarHBondContact O-CB 3.37Å; M133-R136 PolarHBondContact O-N 2.92Å
134	T	92.5	Very high	95.9	Very high	25 Å²	25	39.6 Å²	39.6	15%	0.153	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-60.6	-31.9	-176.7	48.1	0	0	0	0	113.3	F128 R136 L137 F166	F128-T134 HydrophobicContact CB-CG2 3.96Å; T134-R136 PolarHBondContact O-N 3.02Å; T134-L137 PolarHBondContact O-N 3.31Å; T134-L137 VanDerWaalsContact O-N 3.12Å; T134-F166 HydrophobicContact CG2-CB 4.28Å
135	S	93.2	Very high	95.6	Very high	106 Å²	106	39.6 Å²	39.6	74%	0.741	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.6	-18.1	176.9	58.6	0	0	0	0	113.9	M133	M133-S135 PolarHBondContact O-N 2.96Å
136	R	95.1	Very high	95.2	Very high	53 Å²	53	43.1 Å²	43.1	20%	0.2	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-91.4	-8.2	178	-59.5	178.4	59.6	-167.5	-8	112.8	H104 D105 G106 S107 F108 M133 T134	H104-R136 PolarHBondContact O-NH2 2.8Å; D105-R136 PolarHBondContact O-NE 2.83Å; D105-R136 PolarHBondContact O-NH2 3.21Å; G106-R136 PolarHBondContact O-NE 3.08Å; G106-R136 VanDerWaalsContact O-NE 3.07Å; G106-R136 PolarHBondContact O-NH2 3.43Å; S107-R136 CarbonylContact C-O 3.47Å; S107-R136 WeakPolarHBondContact CA-O 3.47Å; S107-R136 WeakPolarHBondContact CB-O 3.24Å; F108-R136 HydrophobicContact CD1-CB 4.22Å; F108-R136 HydrophobicContact CE1-CB 3.93Å; F108-R136 PolarHBondContact N-O 3.05Å; M133-R136 WeakPolarHBondContact O-CB 3.37Å; M133-R136 PolarHBondContact O-N 2.92Å; T134-R136 PolarHBondContact O-N 3.02Å
137	L	96.8	Very high	94.8	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.9	-172.9	-61.9	179.9	0	0	0	112.2	F108 L110 L125 F128 T134 Q168	F108-L137 HydrophobicContact CD1-CD2 4.41Å; F108-L137 HydrophobicContact CD2-CD2 3.71Å; F108-L137 HydrophobicContact CE1-CD2 3.88Å; F108-L137 HydrophobicContact CE2-CD2 3.1Å; F108-L137 HydrophobicContact CG-CD2 4.33Å; F108-L137 HydrophobicContact CZ-CD2 3.2Å; F108-L137 HydrophobicContact CZ-CG 4.39Å; F108-L137 WeakPolarHBondContact O-CA 3.41Å; L110-L137 HydrophobicContact CB-CD2 4.31Å; L125-L137 HydrophobicContact CD2-CD1 4.01Å; F128-L137 HydrophobicContact CB-CD1 3.93Å; F128-L137 HydrophobicContact CD1-CD1 3.94Å; F128-L137 HydrophobicContact CD1-CD2 4.44Å; F128-L137 HydrophobicContact CD2-CD1 3.98Å; F128-L137 HydrophobicContact CE1-CD1 4.4Å; F128-L137 HydrophobicContact CE1-CD2 4.24Å; F128-L137 HydrophobicContact CE2-CD1 4.49Å; F128-L137 HydrophobicContact CG-CD1 3.7Å; T134-L137 PolarHBondContact O-N 3.31Å; T134-L137 VanDerWaalsContact O-N 3.12Å; L137-Q168 HydrophobicContact CB-CB 4.45Å; L137-Q168 HydrophobicContact CB-CG 4.28Å; L137-Q168 WeakPolarHBondContact O-CB 3.35Å
138	S	97.6	Very high	94.6	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.14	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	130	150.6	-175.7	0	0	0	0	107.9	F108 N109 L110 H140	F108-S138 PolarHBondContact O-N 3.34Å; N109-S138 CarbonylContact C-O 3.39Å; N109-S138 VanDerWaalsContact CA-O 3.31Å; N109-S138 WeakPolarHBondContact CA-O 3.32Å; L110-S138 PolarHBondContact N-O 3.48Å; S138-H140 WeakPolarHBondContact CB-NE2 3.27Å; S138-H140 PolarHBondContact O-CD2 3.3Å; S138-H140 PolarHBondContact OG-NE2 3.04Å
139	V	98.3	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.7	-176.1	-176.7	0	0	0	0	109.8	L110 M121 L125 M141 T164 Q168 P169 I170 F171	L110-V139 WeakPolarHBondContact O-CA 3.37Å; M121-V139 HydrophobicContact CE-CG1 4Å; M121-V139 HydrophobicContact CG-CG1 4Å; M121-V139 HydrophobicContact SD-CG1 3.62Å; L125-V139 HydrophobicContact CD1-CG2 4.32Å; L125-V139 HydrophobicContact CD2-CG2 3.73Å; V139-M141 HydrophobicContact CG1-SD 3.66Å; V139-T164 HydrophobicContact CG2-CG2 4.29Å; V139-Q168 HydrophobicContact CG2-CG 3.7Å; V139-P169 PolarHBondContact N-O 3.09Å; V139-I170 HydrophobicContact CB-CB 4Å; V139-I170 HydrophobicContact CB-CD1 4.27Å; V139-I170 HydrophobicContact CB-CG1 3.89Å; V139-I170 HydrophobicContact CG1-CB 4.46Å; V139-I170 HydrophobicContact CG1-CD1 3.8Å; V139-I170 HydrophobicContact CG1-CG1 3.82Å; V139-I170 CarbonylContact O-C 3.57Å; V139-I170 VanDerWaalsContact O-CA 3.3Å; V139-I170 WeakPolarHBondContact O-CA 3.49Å; V139-F171 PolarHBondContact O-N 3.01Å
140	H	98.6	Very high	94.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.6	-179.1	-61.9	-101.3	0	0	0	109.7	N109 L110 V111 E112 S138 F171 H173 V179 P180	N109-H140 PolarHBondContact OD1-NE2 3.14Å; L110-H140 PolarHBondContact O-N 3.44Å; V111-H140 CarbonylContact C-O 3.57Å; V111-H140 WeakPolarHBondContact CA-O 3.4Å; V111-H140 HydrophobicContact CB-CB 4.4Å; V111-H140 HydrophobicContact CG1-CB 4.09Å; V111-H140 HydrophobicContact CG2-CB 4.1Å; E112-H140 PolarHBondContact N-O 2.96Å; S138-H140 WeakPolarHBondContact CB-NE2 3.27Å; S138-H140 PolarHBondContact O-CD2 3.3Å; S138-H140 PolarHBondContact OG-NE2 3.04Å; H140-F171 CarbonylContact C-O 3.55Å; H140-F171 WeakPolarHBondContact CA-O 3.34Å; H140-F171 AromaticContact CE1-CD2 3.63Å; H140-H173 AromaticContact CG-NE2 3.81Å; H140-H173 AromaticContact ND1-CD2 3.82Å; H140-H173 AromaticContact ND1-CE1 3.87Å; H140-H173 AromaticContact ND1-NE2 3Å; H140-H173 PolarHBondContact ND1-NE2 3.13Å; H140-V179 HydrophobicContact CB-CG1 4.08Å; H140-V179 HydrophobicContact CB-CG2 4.48Å; H140-P180 VanDerWaalsContact CE1-CD 3.48Å; H140-P180 WeakPolarHBondContact CE1-CD 3.29Å; H140-P180 WeakPolarHBondContact ND1-CD 3.49Å
141	M	98.4	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.6	180	-48.9	-55	-61.5	0	0	108.3	E112 P115 M121 V139 L156 I170 F171 W172 H173	E112-M141 HydrophobicContact CB-CE 3.94Å; E112-M141 HydrophobicContact CB-SD 4.47Å; E112-M141 HydrophobicContact CG-CE 4.44Å; P115-M141 HydrophobicContact CB-CE 3.09Å; P115-M141 HydrophobicContact CG-CB 4.32Å; P115-M141 HydrophobicContact CG-CE 3.44Å; P115-M141 VanDerWaalsContact CG-CE 3.44Å; M121-M141 HydrophobicContact CB-CE 3.95Å; M121-M141 HydrophobicContact CB-SD 4.32Å; M121-M141 HydrophobicContact CE-CE 4.22Å; M121-M141 HydrophobicContact CE-SD 3.8Å; M121-M141 HydrophobicContact CG-CE 4.18Å; M121-M141 HydrophobicContact CG-SD 3.88Å; M121-M141 HydrophobicContact SD-SD 4.47Å; V139-M141 HydrophobicContact CG1-SD 3.66Å; M141-L156 HydrophobicContact CE-CD1 4.45Å; M141-L156 HydrophobicContact SD-CD1 4.49Å; M141-I170 HydrophobicContact CG-CD1 4.02Å; M141-I170 HydrophobicContact CG-CG1 4.21Å; M141-I170 HydrophobicContact SD-CD1 4.26Å; M141-F171 PolarHBondContact N-O 3.43Å; M141-W172 HydrophobicContact CB-CD2 4.49Å; M141-W172 HydrophobicContact CB-CG 4.09Å; M141-W172 HydrophobicContact CG-CD2 4.43Å; M141-W172 HydrophobicContact CG-CZ2 4.31Å; M141-W172 CarbonylContact O-C 3.57Å; M141-W172 VanDerWaalsContact O-CA 3.31Å; M141-W172 WeakPolarHBondContact O-CA 3.37Å; M141-H173 PolarHBondContact O-N 3.34Å
142	V	98.3	Very high	94.1	Very high	10 Å²	10	37.6 Å²	37.6	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.4	173.9	-176.8	0	0	0	0	108.2	V111 E112 L113 G114 P115 H173 V179	V111-V142 HydrophobicContact CG1-CG2 4.07Å; E112-V142 PolarHBondContact O-N 3.4Å; L113-V142 HydrophobicContact CD1-CG2 4.44Å; L113-V142 HydrophobicContact CG-CB 4.31Å; L113-V142 HydrophobicContact CG-CG2 4.44Å; G114-V142 PolarHBondContact N-O 2.81Å; P115-V142 WeakPolarHBondContact CD-O 3.29Å; V142-H173 CarbonylContact C-O 3.52Å; V142-H173 WeakPolarHBondContact CA-O 3.3Å; V142-H173 HydrophobicContact CG2-CB 4.4Å; V142-V179 HydrophobicContact CG2-CG2 3.83Å
143	E	95.7	Very high	94.2	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.065	18%	0.175	C	C	.	.			trans	-144.7	123.3	-172.8	175.7	58.4	-103.3	0	0	110.5	P115 S145 L148 V149 Q152 H173	P115-E143 HydrophobicContact CG-CB 4.34Å; E143-S145 VanDerWaalsContact OE1-CB 3.22Å; E143-S145 WeakPolarHBondContact OE1-CB 3.11Å; E143-S145 PolarHBondContact OE1-N 2.9Å; E143-L148 HydrophobicContact CG-CB 4.05Å; E143-L148 WeakPolarHBondContact OE2-CD1 3.37Å; E143-V149 HydrophobicContact CB-CG2 4.05Å; E143-V149 HydrophobicContact CG-CG2 3.65Å; E143-Q152 PolarHBondContact OE2-NE2 3.11Å; E143-H173 PolarHBondContact N-O 3.3Å
144	I	92.7	Very high	94.2	Very high	77 Å²	77	40.1 Å²	40.1	40%	0.395	20%	0.203	S	C	.	.			trans	-89.1	-20	-179.1	60.8	169	0	0	0	112.9	T57 P146 N174	T57-I144 HydrophobicContact CG2-CD1 3.59Å; I144-P146 VanDerWaalsContact O-CD 3.29Å; I144-P146 WeakPolarHBondContact O-CD 3.43Å; I144-N174 WeakPolarHBondContact CG2-O 3.3Å
145	S	90.9	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.			trans	-86.2	113.8	-175.5	178.3	0	0	0	0	111.8	Y64 E143 A147 L148 V149	Y64-S145 WeakPolarHBondContact O-CB 3.37Å; Y64-S145 PolarHBondContact O-OG 2.9Å; E143-S145 VanDerWaalsContact OE1-CB 3.22Å; E143-S145 WeakPolarHBondContact OE1-CB 3.11Å; E143-S145 PolarHBondContact OE1-N 2.9Å; S145-A147 PolarHBondContact O-N 2.9Å; S145-A147 VanDerWaalsContact O-N 3.14Å; S145-A147 PolarHBondContact OG-N 3.35Å; S145-L148 PolarHBondContact O-N 3.48Å; S145-L148 VanDerWaalsContact O-N 3.16Å; S145-L148 PolarHBondContact OG-N 3.14Å; S145-V149 WeakPolarHBondContact O-CG2 3.49Å; S145-V149 PolarHBondContact O-N 2.91Å
146	P	90.4	Very high	94.4	Very high	75 Å²	75	37 Å²	37	49%	0.487	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-25.8	177	-22.8	35	0	0	0	113.3	I144 R150	I144-P146 VanDerWaalsContact O-CD 3.29Å; I144-P146 WeakPolarHBondContact O-CD 3.43Å; P146-R150 WeakPolarHBondContact O-CG 3.3Å; P146-R150 PolarHBondContact O-N 3.01Å; P146-R150 PolarHBondContact O-NH1 2.88Å
147	A	88.1	Confident	94.4	Very high	5 Å²	5	34.8 Å²	34.8	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-71	-44.3	176.9	0	0	0	0	0	111.4	D67 S145 R150 R151	D67-A147 HydrophobicContact CB-CB 4.15Å; S145-A147 PolarHBondContact O-N 2.9Å; S145-A147 VanDerWaalsContact O-N 3.14Å; S145-A147 PolarHBondContact OG-N 3.35Å; A147-R150 PolarHBondContact O-N 3.04Å; A147-R151 PolarHBondContact O-N 2.58Å
148	L	91.3	Very high	93.9	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-39.6	176.9	-63.2	179.6	0	0	0	111.6	F71 E143 S145 R150 R151 Q152	F71-L148 HydrophobicContact CD2-CD2 4.13Å; F71-L148 HydrophobicContact CE2-CD1 3.88Å; F71-L148 HydrophobicContact CE2-CD2 3.65Å; F71-L148 HydrophobicContact CE2-CG 4.44Å; F71-L148 HydrophobicContact CZ-CD1 4.38Å; E143-L148 HydrophobicContact CG-CB 4.05Å; E143-L148 WeakPolarHBondContact OE2-CD1 3.37Å; S145-L148 PolarHBondContact O-N 3.48Å; S145-L148 VanDerWaalsContact O-N 3.16Å; S145-L148 PolarHBondContact OG-N 3.14Å; L148-R150 VanDerWaalsContact C-N 3.26Å; L148-R150 PolarHBondContact O-N 3Å; L148-R151 PolarHBondContact O-N 2.84Å; L148-R151 VanDerWaalsContact O-N 3.12Å; L148-Q152 WeakPolarHBondContact O-CB 3.27Å; L148-Q152 VanDerWaalsContact O-CD 3.26Å; L148-Q152 WeakPolarHBondContact O-CG 3.47Å; L148-Q152 PolarHBondContact O-N 3.14Å
149	V	93.8	Very high	93.4	Very high	24 Å²	24	42 Å²	42	15%	0.145	22%	0.224	C	C	.	.	H	α-helix	trans	-53.9	-43	172.5	173.6	0	0	0	0	111.6	E143 S145 K153 W172	E143-V149 HydrophobicContact CB-CG2 4.05Å; E143-V149 HydrophobicContact CG-CG2 3.65Å; S145-V149 WeakPolarHBondContact O-CG2 3.49Å; S145-V149 PolarHBondContact O-N 2.91Å; V149-K153 HydrophobicContact CG1-CD 4.23Å; V149-K153 WeakPolarHBondContact O-CB 3.18Å; V149-K153 VanDerWaalsContact O-CG 3.32Å; V149-K153 WeakPolarHBondContact O-CG 3.31Å; V149-K153 PolarHBondContact O-N 3.4Å; V149-W172 HydrophobicContact CG1-CB 4.35Å; V149-W172 HydrophobicContact CG1-CD2 4.2Å; V149-W172 HydrophobicContact CG1-CG 3.86Å; V149-W172 HydrophobicContact CG2-CB 4.5Å; V149-W172 HydrophobicContact CG2-CG 4.24Å
150	R	92.1	Very high	92.5	Very high	116 Å²	116	46 Å²	46	44%	0.438	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-49	176.8	-74	-169.4	-58.9	-86.6	9.2	111.8	D67 P146 A147 L148 Q152 K153 E154	D67-R150 IonicContact OD2-NH2 3.89Å; D67-R150 PolarHBondContact OD2-NH2 3.3Å; P146-R150 WeakPolarHBondContact O-CG 3.3Å; P146-R150 PolarHBondContact O-N 3.01Å; P146-R150 PolarHBondContact O-NH1 2.88Å; A147-R150 PolarHBondContact O-N 3.04Å; L148-R150 VanDerWaalsContact C-N 3.26Å; L148-R150 PolarHBondContact O-N 3Å; R150-Q152 PolarHBondContact O-N 3.2Å; R150-K153 WeakPolarHBondContact O-CB 3.24Å; R150-K153 PolarHBondContact O-N 3.28Å; R150-E154 WeakPolarHBondContact O-CG 3.39Å; R150-E154 PolarHBondContact O-N 3Å
151	R	91.1	Very high	91.8	Very high	68 Å²	68	53.3 Å²	53.3	26%	0.257	29%	0.285	S	S	.	.	H	α-helix	trans	-62.7	-42.3	179.8	-67	-175.4	-173.4	156.8	10.5	112.3	D67 R68 A147 L148 K153 E154 L155	D67-R151 IonicContact OD1-CZ 3.61Å; D67-R151 IonicContact OD1-NH2 2.84Å; D67-R151 PolarHBondContact OD1-NH2 3.16Å; R68-R151 VanDerWaalsContact C-NH2 3.29Å; R68-R151 VanDerWaalsContact O-CZ 3.27Å; R68-R151 PolarHBondContact O-NH1 3.19Å; R68-R151 PolarHBondContact O-NH2 3.49Å; A147-R151 PolarHBondContact O-N 2.58Å; L148-R151 PolarHBondContact O-N 2.84Å; L148-R151 VanDerWaalsContact O-N 3.12Å; R151-K153 VanDerWaalsContact C-N 3.34Å; R151-K153 PolarHBondContact O-N 2.79Å; R151-E154 PolarHBondContact O-N 2.85Å; R151-L155 WeakPolarHBondContact O-CB 3.47Å; R151-L155 PolarHBondContact O-N 3.43Å
152	Q	94.5	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-40.7	176.6	-67.5	156.5	18	0	0	111.2	G116 E143 L148 R150 L155 L156 W172	G116-Q152 PolarHBondContact O-NE2 3.39Å; E143-Q152 PolarHBondContact OE2-NE2 3.11Å; L148-Q152 WeakPolarHBondContact O-CB 3.27Å; L148-Q152 VanDerWaalsContact O-CD 3.26Å; L148-Q152 WeakPolarHBondContact O-CG 3.47Å; L148-Q152 PolarHBondContact O-N 3.14Å; R150-Q152 PolarHBondContact O-N 3.2Å; Q152-L155 PolarHBondContact O-N 2.66Å; Q152-L156 HydrophobicContact CB-CD1 4.5Å; Q152-L156 VanDerWaalsContact O-CB 3.23Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 WeakPolarHBondContact O-CG 3.47Å; Q152-L156 PolarHBondContact O-N 3.29Å; Q152-W172 HydrophobicContact CB-CZ2 4.15Å
153	K	95.1	Very high	91.2	Very high	96 Å²	96	59.8 Å²	59.8	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-61.4	-47.5	174	-79.1	179.6	178.1	-168.6	0	111.9	V149 R150 R151 L155 C157 G158 W172	V149-K153 HydrophobicContact CG1-CD 4.23Å; V149-K153 WeakPolarHBondContact O-CB 3.18Å; V149-K153 VanDerWaalsContact O-CG 3.32Å; V149-K153 WeakPolarHBondContact O-CG 3.31Å; V149-K153 PolarHBondContact O-N 3.4Å; R150-K153 WeakPolarHBondContact O-CB 3.24Å; R150-K153 PolarHBondContact O-N 3.28Å; R151-K153 VanDerWaalsContact C-N 3.34Å; R151-K153 PolarHBondContact O-N 2.79Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.14Å; K153-C157 WeakPolarHBondContact O-CA 3.25Å; K153-C157 VanDerWaalsContact O-CB 3.24Å; K153-C157 WeakPolarHBondContact O-CB 3.28Å; K153-C157 PolarHBondContact O-N 3.49Å; K153-G158 PolarHBondContact O-N 2.53Å; K153-W172 HydrophobicContact CB-CH2 4.38Å; K153-W172 HydrophobicContact CB-CZ2 4.44Å; K153-W172 HydrophobicContact CD-CH2 4.46Å; K153-W172 HydrophobicContact CD-CZ3 4.37Å; K153-W172 HydrophobicContact CG-CD2 4.43Å; K153-W172 HydrophobicContact CG-CE3 4.26Å; K153-W172 HydrophobicContact CG-CH2 3.4Å; K153-W172 HydrophobicContact CG-CZ2 3.56Å; K153-W172 HydrophobicContact CG-CZ3 3.76Å
154	E	93.5	Very high	91.2	Very high	141 Å²	141	59.1 Å²	59.1	66%	0.659	32%	0.318	S	S	*	.	H	α-helix	trans	-57.7	-45.1	177.4	-72.3	170.3	-172	0	0	111.6	R150 R151 G158	R150-E154 WeakPolarHBondContact O-CG 3.39Å; R150-E154 PolarHBondContact O-N 3Å; R151-E154 PolarHBondContact O-N 2.85Å; E154-G158 PolarHBondContact O-N 3.45Å
155	L	94	Very high	91.1	Very high	63 Å²	63	60.8 Å²	60.8	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-68.8	-51.5	179.1	177.4	67	0	0	0	112.8	S117 L119 R151 Q152 K153	S117-L155 VanDerWaalsContact O-CD2 3.31Å; S117-L155 WeakPolarHBondContact O-CD2 3.32Å; L119-L155 HydrophobicContact CD2-CD1 4.27Å; L119-L155 HydrophobicContact CD2-CD2 3.91Å; L119-L155 HydrophobicContact CG-CD2 4.24Å; R151-L155 WeakPolarHBondContact O-CB 3.47Å; R151-L155 PolarHBondContact O-N 3.43Å; Q152-L155 PolarHBondContact O-N 2.66Å; K153-L155 VanDerWaalsContact C-N 3.32Å; K153-L155 PolarHBondContact O-N 3.14Å
156	L	96.1	Very high	91.2	Very high	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-87.9	-30.5	-166.4	-65.3	172.6	0	0	0	113.4	M121 L125 M141 Q152 T164 M165 I170	M121-L156 HydrophobicContact CB-CD1 4.14Å; M121-L156 HydrophobicContact CB-CD2 4.2Å; M121-L156 HydrophobicContact CG-CD1 4.05Å; M121-L156 HydrophobicContact CG-CD2 4.22Å; L125-L156 HydrophobicContact CD1-CD2 4.43Å; M141-L156 HydrophobicContact CE-CD1 4.45Å; M141-L156 HydrophobicContact SD-CD1 4.49Å; Q152-L156 HydrophobicContact CB-CD1 4.5Å; Q152-L156 VanDerWaalsContact O-CB 3.23Å; Q152-L156 WeakPolarHBondContact O-CB 3.37Å; Q152-L156 WeakPolarHBondContact O-CG 3.47Å; Q152-L156 PolarHBondContact O-N 3.29Å; L156-T164 CarbonylContact O-C 3.44Å; L156-T164 WeakPolarHBondContact O-CA 3.17Å; L156-T164 WeakPolarHBondContact O-CB 3.29Å; L156-M165 PolarHBondContact O-N 3.05Å; L156-I170 HydrophobicContact CB-CD1 4.18Å; L156-I170 HydrophobicContact CD1-CD1 3.75Å
157	C	95.4	Very high	91.3	Very high	6 Å²	6	62 Å²	62	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-102.8	-28.2	-176	-48.6	0	0	0	0	112.2	K153 L160 K163	K153-C157 WeakPolarHBondContact O-CA 3.25Å; K153-C157 VanDerWaalsContact O-CB 3.24Å; K153-C157 WeakPolarHBondContact O-CB 3.28Å; K153-C157 PolarHBondContact O-N 3.49Å; C157-L160 WeakPolarHBondContact CB-O 3.22Å; C157-L160 WeakPolarHBondContact O-CB 3.36Å; C157-L160 PolarHBondContact O-N 3.39Å; C157-L160 VanDerWaalsContact O-N 3.07Å; C157-K163 WeakPolarHBondContact CA-O 3.06Å; C157-K163 VanDerWaalsContact CB-O 3.25Å; C157-K163 WeakPolarHBondContact CB-O 3.29Å
158	G	86.8	Confident	91.6	Very high	45 Å²	45	62 Å²	62	46%	0.464	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-124.6	-171.3	0	0	0	0	0	110.5	K153 E154 L160	K153-G158 PolarHBondContact O-N 2.53Å; E154-G158 PolarHBondContact O-N 3.45Å; G158-L160 VanDerWaalsContact C-N 3.3Å; G158-L160 PolarHBondContact O-N 2.92Å
159	P	85.5	Confident	91.8	Very high	134 Å²	134	64.2 Å²	64.2	87%	0.87	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.6	178.8	34.8	-36.1	0	0	0	114.2
160	L	80.7	Confident	92	Very high	85 Å²	85	63.2 Å²	63.2	45%	0.445	34%	0.342	S	S	.	.			trans	-85.8	136.2	-176.7	-58.3	174.6	0	0	0	110.1	C157 G158 K163 T164	C157-L160 WeakPolarHBondContact CB-O 3.22Å; C157-L160 WeakPolarHBondContact O-CB 3.36Å; C157-L160 PolarHBondContact O-N 3.39Å; C157-L160 VanDerWaalsContact O-N 3.07Å; G158-L160 VanDerWaalsContact C-N 3.3Å; G158-L160 PolarHBondContact O-N 2.92Å; L160-K163 HydrophobicContact CB-CB 4.39Å; L160-T164 WeakPolarHBondContact CD1-O 3.22Å
161	D	83.3	Confident	92.3	Very high	155 Å²	155	62.3 Å²	62.3	83%	0.829	34%	0.342	S	S	*	.	S	Bend	trans	-93.3	134.2	172.2	-166.5	17.9	0	0	0	110.6	K163	D161-K163 PolarHBondContact O-N 3.05Å; D161-K163 VanDerWaalsContact O-N 3.07Å
162	G	89.8	Confident	92.6	Very high	32 Å²	32	61.5 Å²	61.5	33%	0.33	34%	0.339	S	S	.	.	S	Bend	trans	63.5	8.3	178.3	0	0	0	0	0	116.4	P169 I170	G162-P169 WeakPolarHBondContact O-CA 3.42Å; G162-I170 PolarHBondContact O-N 3.42Å; G162-I170 VanDerWaalsContact O-N 3.15Å
163	K	94.5	Very high	92.8	Very high	114 Å²	114	62.8 Å²	62.8	50%	0.496	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-135.3	145.6	178.5	-66.9	-176.6	179.7	-174.7	0	110.9	C157 L160 D161 Q168	C157-K163 WeakPolarHBondContact CA-O 3.06Å; C157-K163 VanDerWaalsContact CB-O 3.25Å; C157-K163 WeakPolarHBondContact CB-O 3.29Å; L160-K163 HydrophobicContact CB-CB 4.39Å; D161-K163 PolarHBondContact O-N 3.05Å; D161-K163 VanDerWaalsContact O-N 3.07Å; K163-Q168 VanDerWaalsContact CA-O 3.3Å; K163-Q168 WeakPolarHBondContact CA-O 3.42Å
164	T	95	Very high	92.8	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.354	C	S	.	.			trans	-73.9	168.5	173.3	77.4	0	0	0	0	111	L125 V139 L156 L160 F166 G167 Q168 I170	L125-T164 HydrophobicContact CD1-CG2 3.79Å; V139-T164 HydrophobicContact CG2-CG2 4.29Å; L156-T164 CarbonylContact O-C 3.44Å; L156-T164 WeakPolarHBondContact O-CA 3.17Å; L156-T164 WeakPolarHBondContact O-CB 3.29Å; L160-T164 WeakPolarHBondContact CD1-O 3.22Å; T164-F166 PolarHBondContact O-N 3.37Å; T164-F166 PolarHBondContact OG1-N 3.48Å; T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 PolarHBondContact OG1-N 2.83Å; T164-Q168 HydrophobicContact CG2-CG 4.05Å; T164-Q168 VanDerWaalsContact CG2-NE2 3.32Å; T164-Q168 PolarHBondContact N-O 3.45Å; T164-Q168 PolarHBondContact OG1-NE2 3.3Å; T164-Q168 PolarHBondContact OG1-OE1 3.31Å; T164-Q168 VanDerWaalsContact OG1-OE1 3.09Å; T164-I170 HydrophobicContact CG2-CB 3.75Å; T164-I170 HydrophobicContact CG2-CD1 4.01Å; T164-I170 HydrophobicContact CG2-CG1 4.44Å; T164-I170 HydrophobicContact CG2-CG2 3.88Å
165	M	92.1	Very high	92.9	Very high	111 Å²	111	59 Å²	59	55%	0.547	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-13.6	169.8	66	-175.1	-68.8	0	0	114.2	L156	L156-M165 PolarHBondContact O-N 3.05Å
166	F	92.6	Very high	93.1	Very high	58 Å²	58	56.4 Å²	56.4	25%	0.254	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-1.1	176.6	-57.5	-77	0	0	0	113.6	L125 R126 T134 T164 Q168	L125-F166 HydrophobicContact CB-CD2 3.6Å; L125-F166 HydrophobicContact CB-CE2 3.74Å; L125-F166 HydrophobicContact CD1-CD2 4.46Å; R126-F166 VanDerWaalsContact CA-CZ 3.47Å; R126-F166 HydrophobicContact CB-CE1 4.44Å; R126-F166 HydrophobicContact CB-CE2 4.29Å; R126-F166 HydrophobicContact CB-CZ 3.7Å; R126-F166 HydrophobicContact CG-CZ 4.27Å; T134-F166 HydrophobicContact CG2-CB 4.28Å; T164-F166 PolarHBondContact O-N 3.37Å; T164-F166 PolarHBondContact OG1-N 3.48Å; F166-Q168 VanDerWaalsContact C-OE1 3.23Å; F166-Q168 VanDerWaalsContact CB-OE1 3.25Å; F166-Q168 PolarHBondContact O-OE1 3.3Å
167	G	92.2	Very high	93.2	Very high	42 Å²	42	60.6 Å²	60.6	43%	0.433	35%	0.346	S	S	.	.	S	Bend	trans	99.3	-12.5	166.9	0	0	0	0	0	116.8	T164	T164-G167 PolarHBondContact O-N 3.39Å; T164-G167 PolarHBondContact OG1-N 2.83Å
168	Q	93.9	Very high	93.3	Very high	7 Å²	7	64.5 Å²	64.5	3%	0.033	37%	0.366	C	S	.	.	S	Bend	trans	-76.2	153	175.9	70.2	-79.9	-0.6	0	0	112.3	L125 L137 V139 K163 T164 F166	L125-Q168 VanDerWaalsContact CD1-NE2 3.33Å; L137-Q168 HydrophobicContact CB-CB 4.45Å; L137-Q168 HydrophobicContact CB-CG 4.28Å; L137-Q168 WeakPolarHBondContact O-CB 3.35Å; V139-Q168 HydrophobicContact CG2-CG 3.7Å; K163-Q168 VanDerWaalsContact CA-O 3.3Å; K163-Q168 WeakPolarHBondContact CA-O 3.42Å; T164-Q168 HydrophobicContact CG2-CG 4.05Å; T164-Q168 VanDerWaalsContact CG2-NE2 3.32Å; T164-Q168 PolarHBondContact N-O 3.45Å; T164-Q168 PolarHBondContact OG1-NE2 3.3Å; T164-Q168 PolarHBondContact OG1-OE1 3.31Å; T164-Q168 VanDerWaalsContact OG1-OE1 3.09Å; F166-Q168 VanDerWaalsContact C-OE1 3.23Å; F166-Q168 VanDerWaalsContact CB-OE1 3.25Å; F166-Q168 PolarHBondContact O-OE1 3.3Å
169	P	97	Very high	93.8	Very high	50 Å²	50	62.4 Å²	62.4	33%	0.325	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-66.2	147.5	175.7	29.7	-36	0	0	0	111.6	V139 G162 F171	V139-P169 PolarHBondContact N-O 3.09Å; G162-P169 WeakPolarHBondContact O-CA 3.42Å; P169-F171 HydrophobicContact CB-CE2 3.72Å; P169-F171 HydrophobicContact CB-CZ 3.95Å; P169-F171 HydrophobicContact CG-CE2 4.31Å
170	I	97.9	Very high	94.4	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	135.8	176.9	-176.9	167.4	0	0	0	111.2	V139 M141 L156 G162 T164 W172	V139-I170 HydrophobicContact CB-CB 4Å; V139-I170 HydrophobicContact CB-CD1 4.27Å; V139-I170 HydrophobicContact CB-CG1 3.89Å; V139-I170 HydrophobicContact CG1-CB 4.46Å; V139-I170 HydrophobicContact CG1-CD1 3.8Å; V139-I170 HydrophobicContact CG1-CG1 3.82Å; V139-I170 CarbonylContact O-C 3.57Å; V139-I170 VanDerWaalsContact O-CA 3.3Å; V139-I170 WeakPolarHBondContact O-CA 3.49Å; M141-I170 HydrophobicContact CG-CD1 4.02Å; M141-I170 HydrophobicContact CG-CG1 4.21Å; M141-I170 HydrophobicContact SD-CD1 4.26Å; L156-I170 HydrophobicContact CB-CD1 4.18Å; L156-I170 HydrophobicContact CD1-CD1 3.75Å; G162-I170 PolarHBondContact O-N 3.42Å; G162-I170 VanDerWaalsContact O-N 3.15Å; T164-I170 HydrophobicContact CG2-CB 3.75Å; T164-I170 HydrophobicContact CG2-CD1 4.01Å; T164-I170 HydrophobicContact CG2-CG1 4.44Å; T164-I170 HydrophobicContact CG2-CG2 3.88Å; I170-W172 HydrophobicContact CB-CH2 4.33Å; I170-W172 HydrophobicContact CB-CZ3 4.32Å; I170-W172 HydrophobicContact CD1-CH2 3.54Å; I170-W172 HydrophobicContact CD1-CZ2 3.76Å; I170-W172 HydrophobicContact CD1-CZ3 4.27Å; I170-W172 HydrophobicContact CG1-CE3 4.42Å; I170-W172 HydrophobicContact CG1-CH2 3.59Å; I170-W172 HydrophobicContact CG1-CZ2 4.11Å; I170-W172 HydrophobicContact CG1-CZ3 3.79Å; I170-W172 HydrophobicContact CG2-CH2 3.84Å; I170-W172 HydrophobicContact CG2-CZ3 3.86Å
171	F	97.7	Very high	95.2	Very high	97 Å²	97	60.1 Å²	60.1	43%	0.425	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	150	-176	-54.9	-83.3	0	0	0	111.3	V139 H140 M141 P169 H173	V139-F171 PolarHBondContact O-N 3.01Å; H140-F171 CarbonylContact C-O 3.55Å; H140-F171 WeakPolarHBondContact CA-O 3.34Å; H140-F171 AromaticContact CE1-CD2 3.63Å; M141-F171 PolarHBondContact N-O 3.43Å; P169-F171 HydrophobicContact CB-CE2 3.72Å; P169-F171 HydrophobicContact CB-CZ 3.95Å; P169-F171 HydrophobicContact CG-CE2 4.31Å; F171-H173 WeakPolarHBondContact CB-NE2 3.44Å
172	W	97.6	Very high	95.8	Very high	51 Å²	51	53.7 Å²	53.7	19%	0.193	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.1	175.4	-73.8	-99.2	0	0	0	110.4	M141 V149 Q152 K153 I170	M141-W172 HydrophobicContact CB-CD2 4.49Å; M141-W172 HydrophobicContact CB-CG 4.09Å; M141-W172 HydrophobicContact CG-CD2 4.43Å; M141-W172 HydrophobicContact CG-CZ2 4.31Å; M141-W172 CarbonylContact O-C 3.57Å; M141-W172 VanDerWaalsContact O-CA 3.31Å; M141-W172 WeakPolarHBondContact O-CA 3.37Å; V149-W172 HydrophobicContact CG1-CB 4.35Å; V149-W172 HydrophobicContact CG1-CD2 4.2Å; V149-W172 HydrophobicContact CG1-CG 3.86Å; V149-W172 HydrophobicContact CG2-CB 4.5Å; V149-W172 HydrophobicContact CG2-CG 4.24Å; Q152-W172 HydrophobicContact CB-CZ2 4.15Å; K153-W172 HydrophobicContact CB-CH2 4.38Å; K153-W172 HydrophobicContact CB-CZ2 4.44Å; K153-W172 HydrophobicContact CD-CH2 4.46Å; K153-W172 HydrophobicContact CD-CZ3 4.37Å; K153-W172 HydrophobicContact CG-CD2 4.43Å; K153-W172 HydrophobicContact CG-CE3 4.26Å; K153-W172 HydrophobicContact CG-CH2 3.4Å; K153-W172 HydrophobicContact CG-CZ2 3.56Å; K153-W172 HydrophobicContact CG-CZ3 3.76Å; I170-W172 HydrophobicContact CB-CH2 4.33Å; I170-W172 HydrophobicContact CB-CZ3 4.32Å; I170-W172 HydrophobicContact CD1-CH2 3.54Å; I170-W172 HydrophobicContact CD1-CZ2 3.76Å; I170-W172 HydrophobicContact CD1-CZ3 4.27Å; I170-W172 HydrophobicContact CG1-CE3 4.42Å; I170-W172 HydrophobicContact CG1-CH2 3.59Å; I170-W172 HydrophobicContact CG1-CZ2 4.11Å; I170-W172 HydrophobicContact CG1-CZ3 3.79Å; I170-W172 HydrophobicContact CG2-CH2 3.84Å; I170-W172 HydrophobicContact CG2-CZ3 3.86Å
173	H	97.7	Very high	96.2	Very high	27 Å²	27	53.9 Å²	53.9	13%	0.125	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.4	-173.1	-59.1	-71.1	0	0	0	109.9	H140 M141 V142 E143 F171 D178 V179	H140-H173 AromaticContact CG-NE2 3.81Å; H140-H173 AromaticContact ND1-CD2 3.82Å; H140-H173 AromaticContact ND1-CE1 3.87Å; H140-H173 AromaticContact ND1-NE2 3Å; H140-H173 PolarHBondContact ND1-NE2 3.13Å; M141-H173 PolarHBondContact O-N 3.34Å; V142-H173 CarbonylContact C-O 3.52Å; V142-H173 WeakPolarHBondContact CA-O 3.3Å; V142-H173 HydrophobicContact CG2-CB 4.4Å; E143-H173 PolarHBondContact N-O 3.3Å; F171-H173 WeakPolarHBondContact CB-NE2 3.44Å; H173-D178 HydrophobicContact CB-CB 4.02Å; H173-D178 PolarHBondContact ND1-O 3.01Å; H173-V179 HydrophobicContact CB-CG2 4.29Å
174	N	95.3	Very high	96.4	Very high	116 Å²	116	48.5 Å²	48.5	62%	0.62	27%	0.268	S	S	*	.	S	Bend	trans	-85	-26.3	177.2	-67.8	-46.6	0	0	0	112.1	I144	I144-N174 WeakPolarHBondContact CG2-O 3.3Å
175	S	96.8	Very high	96.5	Very high	40 Å²	40	48.5 Å²	48.5	28%	0.28	27%	0.268	S	S	.	.	S	Bend	trans	-138.8	163.7	-178.8	72.1	0	0	0	0	111.4	D177 D178	S175-D177 PolarHBondContact O-N 2.98Å; S175-D177 PolarHBondContact OG-N 3.4Å; S175-D178 PolarHBondContact N-OD2 3.25Å; S175-D178 PolarHBondContact O-N 3.16Å; S175-D178 PolarHBondContact OG-N 3.46Å; S175-D178 PolarHBondContact OG-OD2 3.31Å
176	V	97.7	Very high	96.8	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	24%	0.243	C	C	.	.	S	Bend	trans	-60.2	-36.7	171.4	173.9	0	0	0	0	110.6	L113 D178 V179 F186 V256 L260 K263	L113-V176 HydrophobicContact CD1-CG2 4.35Å; L113-V176 HydrophobicContact CD2-CG2 3.73Å; L113-V176 HydrophobicContact CG-CG2 4.06Å; V176-D178 VanDerWaalsContact C-N 3.27Å; V176-D178 PolarHBondContact O-N 3.5Å; V176-V179 WeakPolarHBondContact O-CB 3.45Å; V176-V179 WeakPolarHBondContact O-CG2 3.28Å; V176-V179 PolarHBondContact O-N 3.45Å; V176-V179 VanDerWaalsContact O-N 3.15Å; V176-F186 HydrophobicContact CG1-CE1 4.29Å; V176-V256 HydrophobicContact CG2-CG1 4.05Å; V176-L260 HydrophobicContact CG1-CD2 3.78Å; V176-L260 HydrophobicContact CG1-CG 4.32Å; V176-L260 HydrophobicContact CG2-CD2 4.19Å; V176-K263 HydrophobicContact CG1-CD 4.21Å; V176-K263 WeakPolarHBondContact O-CE 3.13Å
177	D	97.3	Very high	97.1	Very high	91 Å²	91	40.6 Å²	40.6	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-30.7	-177.2	-70.8	-43.5	0	0	0	113.4	S175 V179 K263	S175-D177 PolarHBondContact O-N 2.98Å; S175-D177 PolarHBondContact OG-N 3.4Å; D177-V179 PolarHBondContact O-N 3.05Å; D177-K263 PolarHBondContact O-NZ 2.92Å
178	D	97.5	Very high	97.4	Very high	87 Å²	87	38.7 Å²	38.7	47%	0.465	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.5	178.3	-59.1	-45.7	0	0	0	113.1	H173 S175 V176	H173-D178 HydrophobicContact CB-CB 4.02Å; H173-D178 PolarHBondContact ND1-O 3.01Å; S175-D178 PolarHBondContact N-OD2 3.25Å; S175-D178 PolarHBondContact O-N 3.16Å; S175-D178 PolarHBondContact OG-N 3.46Å; S175-D178 PolarHBondContact OG-OD2 3.31Å; V176-D178 VanDerWaalsContact C-N 3.27Å; V176-D178 PolarHBondContact O-N 3.5Å
179	V	98	Very high	97.6	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-65.5	128	178.4	180	0	0	0	0	109.1	V111 H140 V142 H173 V176 D177 K263	V111-V179 HydrophobicContact CG1-CG1 4.4Å; V111-V179 HydrophobicContact CG1-CG2 4.01Å; V111-V179 HydrophobicContact CG2-CG1 3.96Å; H140-V179 HydrophobicContact CB-CG1 4.08Å; H140-V179 HydrophobicContact CB-CG2 4.48Å; V142-V179 HydrophobicContact CG2-CG2 3.83Å; H173-V179 HydrophobicContact CB-CG2 4.29Å; V176-V179 WeakPolarHBondContact O-CB 3.45Å; V176-V179 WeakPolarHBondContact O-CG2 3.28Å; V176-V179 PolarHBondContact O-N 3.45Å; V176-V179 VanDerWaalsContact O-N 3.15Å; D177-V179 PolarHBondContact O-N 3.05Å; V179-K263 WeakPolarHBondContact O-CE 3.45Å; V179-K263 PolarHBondContact O-NZ 3.42Å
180	P	97.3	Very high	97.5	Very high	66 Å²	66	38.6 Å²	38.6	43%	0.429	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-53.8	141.7	179.5	-28.3	36.4	0	0	0	113.2	N109 H140	N109-P180 PolarHBondContact ND2-O 3.18Å; H140-P180 VanDerWaalsContact CE1-CD 3.48Å; H140-P180 WeakPolarHBondContact CE1-CD 3.29Å; H140-P180 WeakPolarHBondContact ND1-CD 3.49Å
181	D	97.2	Very high	97.4	Very high	105 Å²	105	40.3 Å²	40.3	56%	0.561	21%	0.214	S	C	*	.	S	Bend	trans	-64.5	136.3	176.9	-71	-19.1	0	0	0	111.4	K263 F267	D181-K263 IonicContact OD1-NZ 2.98Å; D181-K263 PolarHBondContact OD1-NZ 3.42Å; D181-F267 HydrophobicContact CB-CD1 4.19Å; D181-F267 HydrophobicContact CB-CD2 3.96Å; D181-F267 HydrophobicContact CB-CE1 3.75Å; D181-F267 HydrophobicContact CB-CE2 3.49Å; D181-F267 VanDerWaalsContact CB-CE2 3.49Å; D181-F267 HydrophobicContact CB-CG 4.3Å; D181-F267 HydrophobicContact CB-CZ 3.38Å; D181-F267 VanDerWaalsContact OD1-CE2 3.29Å; D181-F267 WeakPolarHBondContact OD1-CE2 3.41Å; D181-F267 VanDerWaalsContact OD2-CZ 3.3Å; D181-F267 WeakPolarHBondContact OD2-CZ 3.47Å
182	G	96.6	Very high	97.4	Very high	20 Å²	20	36 Å²	36	21%	0.206	20%	0.195	C	C	.	.	S	Bend	trans	159.8	169.1	-177.4	0	0	0	0	0	112.4	S184 F267	G182-S184 PolarHBondContact O-N 3.16Å; G182-S184 PolarHBondContact O-OG 2.81Å; G182-F267 WeakPolarHBondContact O-CB 3.49Å
183	F	97.8	Very high	97.4	Very high	35 Å²	35	34 Å²	34	15%	0.154	19%	0.188	C	C	.	.	S	Bend	trans	-61.9	118	177.1	-173.7	-90.1	0	0	0	109.7	L102 H104 F108 N109 F185 F267 G268	L102-F183 HydrophobicContact CB-CZ 4.35Å; L102-F183 HydrophobicContact CD1-CE2 4.23Å; L102-F183 HydrophobicContact CD1-CZ 3.69Å; H104-F183 HydrophobicContact CB-CE1 3.98Å; H104-F183 HydrophobicContact CB-CE2 4.46Å; H104-F183 HydrophobicContact CB-CZ 3.95Å; H104-F183 AromaticContact CD2-CD1 3.54Å; H104-F183 AromaticContact CD2-CE1 3.71Å; H104-F183 AromaticContact CE1-CG 4Å; H104-F183 AromaticContact CG-CD1 3.9Å; H104-F183 AromaticContact CG-CE1 3.83Å; H104-F183 AromaticContact NE2-CD1 3.73Å; H104-F183 AromaticContact NE2-CG 3.98Å; F108-F183 VanDerWaalsContact CA-O 3.31Å; F108-F183 WeakPolarHBondContact CA-O 3.34Å; F108-F183 HydrophobicContact CB-CD1 3.67Å; F108-F183 HydrophobicContact CB-CE1 4.4Å; F108-F183 WeakPolarHBondContact CB-O 3.35Å; N109-F183 PolarHBondContact N-O 3.2Å; F183-F185 HydrophobicContact CE1-CD2 4.2Å; F183-F185 AromaticContact CE1-CE2 3.63Å; F183-F185 HydrophobicContact CE1-CE2 3.63Å; F183-F185 HydrophobicContact CZ-CE2 4.08Å; F183-F267 WeakPolarHBondContact CA-O 3.38Å; F183-G268 VanDerWaalsContact CD2-C 3.48Å
184	S	98.3	Very high	97.2	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	137.1	-163.6	-59.1	0	0	0	0	112.7	N109 G182 F186 G268 G269 A270	N109-S184 WeakPolarHBondContact CB-OG 3.46Å; N109-S184 PolarHBondContact ND2-OG 3.31Å; N109-S184 VanDerWaalsContact ND2-OG 3.11Å; N109-S184 WeakPolarHBondContact O-CA 3.4Å; G182-S184 PolarHBondContact O-N 3.16Å; G182-S184 PolarHBondContact O-OG 2.81Å; S184-F186 VanDerWaalsContact CB-CE2 3.4Å; S184-G268 PolarHBondContact N-O 3.32Å; S184-G269 VanDerWaalsContact O-CA 3.24Å; S184-G269 WeakPolarHBondContact O-CA 3.33Å; S184-A270 PolarHBondContact O-N 3.44Å; S184-A270 VanDerWaalsContact O-N 3.09Å
185	F	98.4	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	118.4	166.4	-84.7	-92.9	0	0	0	109.3	W94 C95 E98 V99 L102 F108 N109 L110 V111 F183 A270	W94-F185 HydrophobicContact CE3-CD1 4.34Å; W94-F185 HydrophobicContact CE3-CE1 4.46Å; W94-F185 HydrophobicContact CH2-CD1 4.07Å; W94-F185 AromaticContact CH2-CE1 4Å; W94-F185 HydrophobicContact CH2-CE1 4Å; W94-F185 AromaticContact CZ3-CD1 3.57Å; W94-F185 HydrophobicContact CZ3-CD1 3.57Å; W94-F185 AromaticContact CZ3-CE1 3.81Å; W94-F185 HydrophobicContact CZ3-CE1 3.81Å; C95-F185 HydrophobicContact CB-CD1 4.29Å; C95-F185 HydrophobicContact CB-CG 4.47Å; E98-F185 HydrophobicContact CB-CE1 3.55Å; E98-F185 HydrophobicContact CB-CZ 3.51Å; E98-F185 HydrophobicContact CG-CE1 4.29Å; V99-F185 HydrophobicContact CB-CE2 4.41Å; V99-F185 HydrophobicContact CG2-CD2 3.83Å; V99-F185 HydrophobicContact CG2-CE2 3.26Å; V99-F185 HydrophobicContact CG2-CZ 3.9Å; L102-F185 HydrophobicContact CD1-CZ 4.27Å; F108-F185 HydrophobicContact CD2-CD2 4.24Å; N109-F185 PolarHBondContact O-N 3Å; L110-F185 HydrophobicContact CD1-CB 4.27Å; V111-F185 PolarHBondContact N-O 2.87Å; F183-F185 HydrophobicContact CE1-CD2 4.2Å; F183-F185 AromaticContact CE1-CE2 3.63Å; F183-F185 HydrophobicContact CE1-CE2 3.63Å; F183-F185 HydrophobicContact CZ-CE2 4.08Å; F185-A270 CarbonylContact C-O 3.54Å; F185-A270 WeakPolarHBondContact CA-O 3.27Å; F185-A270 HydrophobicContact CD1-CB 4.11Å; F185-A270 HydrophobicContact CE1-CB 3.77Å; F185-A270 HydrophobicContact CZ-CB 4.4Å
186	F	98.7	Very high	97.3	Very high	2 Å²	2	28 Å²	28	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.7	179.6	-58.9	-91.8	0	0	0	110.5	V111 L113 V176 S184 L260 K263 I264 A270 A271 L272	V111-F186 HydrophobicContact CB-CD1 3.54Å; V111-F186 HydrophobicContact CB-CE1 3.94Å; V111-F186 HydrophobicContact CB-CG 4.27Å; V111-F186 HydrophobicContact CG1-CD1 3.69Å; V111-F186 HydrophobicContact CG1-CE1 3.95Å; V111-F186 HydrophobicContact CG2-CD1 3.84Å; V111-F186 HydrophobicContact CG2-CE1 3.75Å; V111-F186 HydrophobicContact CG2-CZ 4.4Å; V111-F186 CarbonylContact O-C 3.59Å; V111-F186 WeakPolarHBondContact O-CA 3.24Å; L113-F186 HydrophobicContact CD1-CB 4.49Å; L113-F186 HydrophobicContact CD1-CD1 4.25Å; V176-F186 HydrophobicContact CG1-CE1 4.29Å; S184-F186 VanDerWaalsContact CB-CE2 3.4Å; F186-L260 HydrophobicContact CB-CD2 3.75Å; F186-L260 HydrophobicContact CD1-CD2 3.33Å; F186-L260 HydrophobicContact CD2-CD2 4.05Å; F186-L260 HydrophobicContact CE1-CD2 3.89Å; F186-L260 HydrophobicContact CG-CD2 3.44Å; F186-L260 VanDerWaalsContact CG-CD2 3.44Å; F186-L260 HydrophobicContact CZ-CD2 4.45Å; F186-K263 HydrophobicContact CE1-CD 4.23Å; F186-K263 HydrophobicContact CE2-CB 4.17Å; F186-K263 HydrophobicContact CZ-CB 3.87Å; F186-K263 HydrophobicContact CZ-CD 3.76Å; F186-K263 HydrophobicContact CZ-CG 4.45Å; F186-I264 HydrophobicContact CD2-CD1 4.11Å; F186-I264 HydrophobicContact CD2-CG1 3.98Å; F186-I264 HydrophobicContact CE2-CG1 3.91Å; F186-A270 PolarHBondContact N-O 3.25Å; F186-A271 HydrophobicContact CB-CB 3.93Å; F186-A271 CarbonylContact O-C 3.59Å; F186-A271 VanDerWaalsContact O-CA 3.24Å; F186-A271 WeakPolarHBondContact O-CA 3.39Å; F186-L272 PolarHBondContact O-N 2.79Å
187	I	98.6	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125	176.1	-54.1	-60.2	0	0	0	108.2	L91 W94 L110 V111 E112 L113 L120 M124 L272	L91-I187 HydrophobicContact CD1-CG2 3.91Å; W94-I187 HydrophobicContact CZ3-CD1 4.31Å; L110-I187 HydrophobicContact CD1-CG1 4.48Å; V111-I187 PolarHBondContact O-N 3.24Å; E112-I187 CarbonylContact C-O 3.48Å; E112-I187 WeakPolarHBondContact CA-O 3.29Å; L113-I187 PolarHBondContact N-O 2.9Å; L120-I187 HydrophobicContact CD2-CG2 4.21Å; M124-I187 HydrophobicContact CE-CD1 4.42Å; M124-I187 HydrophobicContact CE-CG1 3.97Å; M124-I187 HydrophobicContact SD-CG1 4.33Å; I187-L272 WeakPolarHBondContact CA-O 3.38Å; I187-L272 HydrophobicContact CD1-CB 3.84Å; I187-L272 HydrophobicContact CD1-CD2 4.45Å
188	A	98.2	Very high	97.3	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110.8	172.5	0	0	0	0	0	107.7	L113 F191 F192 L272 V273 V274	L113-A188 HydrophobicContact CB-CB 4.17Å; L113-A188 HydrophobicContact CD2-CB 4.37Å; A188-F191 HydrophobicContact CB-CB 4.15Å; A188-F191 HydrophobicContact CB-CD1 4.49Å; A188-F192 HydrophobicContact CB-CD2 4.17Å; A188-F192 HydrophobicContact CB-CE2 3.71Å; A188-L272 PolarHBondContact N-O 3.47Å; A188-V273 HydrophobicContact CB-CG2 4.4Å; A188-V273 CarbonylContact O-C 3.56Å; A188-V273 WeakPolarHBondContact O-CA 3.41Å; A188-V274 PolarHBondContact O-N 3.09Å
189	H	97	Very high	97.3	Very high	11 Å²	11	21.3 Å²	21.3	5%	0.051	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.5	-178.6	173.1	-77.3	0	0	0	109.5	L87 L120 F191 V274	L87-H189 VanDerWaalsContact CD2-NE2 3.3Å; L87-H189 WeakPolarHBondContact CD2-NE2 3.21Å; L120-H189 HydrophobicContact CD2-CB 3.77Å; H189-F191 VanDerWaalsContact C-N 3.25Å; H189-F191 PolarHBondContact O-N 3.08Å; H189-V274 CarbonylContact C-O 3.51Å; H189-V274 VanDerWaalsContact CA-O 3.3Å; H189-V274 WeakPolarHBondContact CA-O 3.27Å
190	E	95.6	Very high	97.3	Very high	44 Å²	44	21.2 Å²	21.2	21%	0.206	12%	0.118	C	C	.	.	S	Bend	trans	48.4	51.9	-173.2	-64.2	-174.6	-118.1	0	0	110.7	S80 D193 V274 F377	S80-E190 PolarHBondContact N-OE1 3.41Å; E190-D193 VanDerWaalsContact C-OD1 3.29Å; E190-V274 PolarHBondContact N-O 3.45Å; E190-F377 HydrophobicContact CG-CE1 3.53Å; E190-F377 HydrophobicContact CG-CZ 3.98Å
191	F	96.4	Very high	97.3	Very high	39 Å²	39	22.3 Å²	22.3	17%	0.171	12%	0.116	C	C	.	.			trans	-114.7	-39.1	-178.2	173.8	-95.7	0	0	0	111.2	L113 A188 H189 M195 V256 D275	L113-F191 HydrophobicContact CB-CD1 4.3Å; L113-F191 HydrophobicContact CB-CD2 3.95Å; L113-F191 HydrophobicContact CB-CE1 4.49Å; L113-F191 HydrophobicContact CB-CE2 4.11Å; L113-F191 HydrophobicContact CB-CG 4.04Å; L113-F191 HydrophobicContact CB-CZ 4.39Å; L113-F191 HydrophobicContact CD2-CD1 4.27Å; L113-F191 HydrophobicContact CD2-CE1 4.03Å; L113-F191 HydrophobicContact CD2-CZ 4.33Å; A188-F191 HydrophobicContact CB-CB 4.15Å; A188-F191 HydrophobicContact CB-CD1 4.49Å; H189-F191 VanDerWaalsContact C-N 3.25Å; H189-F191 PolarHBondContact O-N 3.08Å; F191-M195 HydrophobicContact CE1-CG 4.43Å; F191-M195 HydrophobicContact CE1-SD 4.06Å; F191-M195 HydrophobicContact CZ-SD 4.11Å; F191-V256 HydrophobicContact CE1-CG1 3.99Å; F191-V256 HydrophobicContact CE1-CG2 4.3Å; F191-D275 PolarHBondContact N-OD2 3.01Å; F191-D275 VanDerWaalsContact N-OD2 3.16Å
192	F	97.7	Very high	97.1	Very high	6 Å²	6	20 Å²	20	3%	0.026	10%	0.101	C	C	.	.	S	Bend	trans	-85.2	-21.9	-172.1	-76	-78.1	0	0	0	112.2	A188 A194 M195 V256 M257 L260 V273 D275 V310 L315	A188-F192 HydrophobicContact CB-CD2 4.17Å; A188-F192 HydrophobicContact CB-CE2 3.71Å; F192-A194 VanDerWaalsContact C-N 3.28Å; F192-A194 PolarHBondContact O-N 3.4Å; F192-M195 HydrophobicContact CD1-CG 4.31Å; F192-M195 WeakPolarHBondContact O-CB 3.3Å; F192-M195 PolarHBondContact O-N 3.39Å; F192-V256 HydrophobicContact CE1-CB 4.1Å; F192-V256 HydrophobicContact CE1-CG1 4.11Å; F192-V256 HydrophobicContact CZ-CB 4.48Å; F192-V256 HydrophobicContact CZ-CG1 4.03Å; F192-M257 HydrophobicContact CE1-CG 3.89Å; F192-M257 HydrophobicContact CE1-SD 4.06Å; F192-M257 HydrophobicContact CE2-SD 4.17Å; F192-M257 HydrophobicContact CZ-CG 3.95Å; F192-M257 HydrophobicContact CZ-SD 3.51Å; F192-M257 VanDerWaalsContact CZ-SD 3.51Å; F192-L260 HydrophobicContact CZ-CD1 4.43Å; F192-V273 HydrophobicContact CD2-CG1 3.46Å; F192-V273 VanDerWaalsContact CD2-CG1 3.46Å; F192-V273 HydrophobicContact CD2-CG2 4.44Å; F192-V273 HydrophobicContact CE2-CB 4.38Å; F192-V273 HydrophobicContact CE2-CG1 3.68Å; F192-V273 HydrophobicContact CE2-CG2 3.77Å; F192-D275 PolarHBondContact N-OD2 3.15Å; F192-V310 HydrophobicContact CB-CG1 4.21Å; F192-V310 HydrophobicContact CB-CG2 3.63Å; F192-L315 HydrophobicContact CG-CD1 4.4Å
193	D	96.2	Very high	97	Very high	8 Å²	8	21.7 Å²	21.7	4%	0.043	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.6	173.5	71.6	-38.2	0	0	0	113.1	E190 M195 D275 Y276 T307 A308 V310	E190-D193 VanDerWaalsContact C-OD1 3.29Å; D193-M195 VanDerWaalsContact C-N 3.27Å; D193-M195 PolarHBondContact O-N 3.14Å; D193-D275 WeakPolarHBondContact CB-OD1 3.31Å; D193-D275 PolarHBondContact N-OD2 3.04Å; D193-Y276 HydrophobicContact CB-CE1 3.84Å; D193-Y276 HydrophobicContact CB-CE2 4.28Å; D193-Y276 WeakPolarHBondContact OD2-CE1 3.3Å; D193-Y276 PolarHBondContact OD2-OH 3.09Å; D193-T307 WeakPolarHBondContact O-CA 2.95Å; D193-A308 VanDerWaalsContact CA-O 3.23Å; D193-A308 WeakPolarHBondContact CA-O 3.39Å; D193-A308 VanDerWaalsContact CB-O 3.29Å; D193-A308 WeakPolarHBondContact CB-O 3.4Å; D193-A308 PolarHBondContact O-N 3.18Å; D193-V310 HydrophobicContact CB-CG2 4.24Å
194	A	95.3	Very high	96.6	Very high	15 Å²	15	28.7 Å²	28.7	12%	0.124	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-4	176.3	0	0	0	0	0	113.4	L56 Y64 F192	L56-A194 WeakPolarHBondContact CD1-O 3.24Å; Y64-A194 HydrophobicContact CE2-CB 4.05Å; Y64-A194 WeakPolarHBondContact OH-CB 3.26Å; F192-A194 VanDerWaalsContact C-N 3.28Å; F192-A194 PolarHBondContact O-N 3.4Å
195	M	96.3	Very high	96.2	Very high	30 Å²	30	35.2 Å²	35.2	15%	0.148	18%	0.175	C	C	.	.	S	Bend	trans	-77.7	138.9	-178.1	-66.3	-67	-77	0	0	111.1	F191 F192 D193 V197 A252 S253 V256	F191-M195 HydrophobicContact CE1-CG 4.43Å; F191-M195 HydrophobicContact CE1-SD 4.06Å; F191-M195 HydrophobicContact CZ-SD 4.11Å; F192-M195 HydrophobicContact CD1-CG 4.31Å; F192-M195 WeakPolarHBondContact O-CB 3.3Å; F192-M195 PolarHBondContact O-N 3.39Å; D193-M195 VanDerWaalsContact C-N 3.27Å; D193-M195 PolarHBondContact O-N 3.14Å; M195-V197 PolarHBondContact O-N 3.21Å; M195-A252 HydrophobicContact CE-CB 3.62Å; M195-A252 WeakPolarHBondContact CE-O 3.46Å; M195-S253 WeakPolarHBondContact CB-OG 3.37Å; M195-S253 WeakPolarHBondContact CG-OG 3.18Å; M195-V256 HydrophobicContact CE-CG2 3.76Å
196	P	97.4	Very high	95.9	Very high	13 Å²	13	38.3 Å²	38.3	8%	0.084	19%	0.194	C	C	.	.			trans	-56	130.8	-177.9	-27.3	34	0	0	0	113.8	A49 M52 Q53 S250	A49-P196 HydrophobicContact CB-CB 3.95Å; A49-P196 WeakPolarHBondContact O-CB 3.29Å; M52-P196 HydrophobicContact CB-CB 4.17Å; M52-P196 HydrophobicContact CB-CG 4.49Å; Q53-P196 HydrophobicContact CB-CG 4.01Å; P196-S250 WeakPolarHBondContact O-CB 3.37Å; P196-S250 PolarHBondContact O-OG 3.06Å
197	V	97.6	Very high	95.7	Very high	9 Å²	9	40 Å²	40	6%	0.055	20%	0.2	C	C	.	.			trans	-109.8	138	176.4	-61.4	0	0	0	0	112.3	V48 A49 M52 M195 E248 V249 L286 A308	V48-V197 CarbonylContact C-O 3.58Å; V48-V197 HydrophobicContact CG1-CG2 4.34Å; V48-V197 WeakPolarHBondContact CG1-O 3.42Å; A49-V197 VanDerWaalsContact CA-O 3.32Å; A49-V197 WeakPolarHBondContact CA-O 3.34Å; A49-V197 WeakPolarHBondContact CB-O 3.42Å; A49-V197 PolarHBondContact N-O 3.21Å; M52-V197 HydrophobicContact SD-CB 4.37Å; M52-V197 HydrophobicContact SD-CG2 3.6Å; M52-V197 VanDerWaalsContact SD-CG2 3.6Å; M52-V197 PolarHBondContact SD-N 3.11Å; M195-V197 PolarHBondContact O-N 3.21Å; V197-E248 HydrophobicContact CB-CB 4.46Å; V197-V249 CarbonylContact C-O 3.58Å; V197-V249 WeakPolarHBondContact CA-O 3.36Å; V197-L286 HydrophobicContact CG2-CD1 4.49Å; V197-A308 HydrophobicContact CG1-CB 3.78Å; V197-A308 HydrophobicContact CG2-CB 3.98Å
198	H	98.1	Very high	95.6	Very high	25 Å²	25	43.2 Å²	43.2	12%	0.116	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	138.8	157.7	-72.1	-97	0	0	0	108.6	F200 E209 S231 E248 V249	H198-F200 HydrophobicContact CB-CE2 3.73Å; H198-F200 HydrophobicContact CB-CZ 3.8Å; H198-E209 IonicContact CE1-OE1 3.94Å; H198-E209 IonicContact CG-OE1 2.62Å; H198-E209 IonicContact ND1-OE1 2.63Å; H198-E209 PolarHBondContact ND1-OE1 3.36Å; H198-S231 PolarHBondContact CE1-OG 2.91Å; H198-S231 VanDerWaalsContact CE1-OG 3.23Å; H198-S231 WeakPolarHBondContact ND1-CB 3.29Å; H198-S231 PolarHBondContact ND1-OG 2.78Å; H198-E248 VanDerWaalsContact O-CA 3.28Å; H198-E248 WeakPolarHBondContact O-CA 3.41Å; H198-V249 PolarHBondContact N-O 2.95Å; H198-V249 PolarHBondContact O-N 2.93Å
199	K	97.6	Very high	95.6	Very high	12 Å²	12	43.2 Å²	43.2	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133	-178.1	-175	-179.4	-172	67.4	0	109.6	V48 V210 W247 E248 D284	V48-K199 HydrophobicContact CB-CB 4.29Å; V48-K199 HydrophobicContact CG2-CB 4.04Å; K199-V210 HydrophobicContact CB-CB 4.08Å; K199-V210 HydrophobicContact CB-CG2 4.44Å; K199-V210 HydrophobicContact CD-CB 4.06Å; K199-V210 HydrophobicContact CD-CG1 4.18Å; K199-V210 HydrophobicContact CD-CG2 4.1Å; K199-V210 HydrophobicContact CG-CB 4.02Å; K199-V210 HydrophobicContact CG-CG2 3.92Å; K199-V210 PolarHBondContact O-N 3.27Å; K199-W247 CarbonylContact C-O 3.57Å; K199-E248 HydrophobicContact CB-CG 4.34Å; K199-E248 HydrophobicContact CG-CG 4.1Å; K199-E248 IonicContact NZ-OE1 3.73Å; K199-E248 PolarHBondContact NZ-OE1 3.36Å; K199-D284 IonicContact NZ-OD1 2.65Å; K199-D284 PolarHBondContact NZ-OD1 2.95Å; K199-D284 IonicContact NZ-OD2 3.31Å; K199-D284 PolarHBondContact NZ-OD2 2.83Å
200	F	97.3	Very high	95.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.9	-179.2	-53.6	-82.8	0	0	0	109.9	H198 W207 R208 E209 Q232 Y235 L236 D246 W247	H198-F200 HydrophobicContact CB-CE2 3.73Å; H198-F200 HydrophobicContact CB-CZ 3.8Å; F200-W207 HydrophobicContact CB-CE3 3.84Å; F200-W207 HydrophobicContact CB-CZ3 4.15Å; F200-R208 CarbonylContact C-O 3.56Å; F200-R208 WeakPolarHBondContact CA-O 3.38Å; F200-E209 HydrophobicContact CD1-CB 3.87Å; F200-E209 HydrophobicContact CD1-CG 4.06Å; F200-E209 HydrophobicContact CE1-CB 3.89Å; F200-E209 HydrophobicContact CE1-CG 3.81Å; F200-Q232 HydrophobicContact CD1-CB 4.31Å; F200-Q232 HydrophobicContact CD1-CG 4.37Å; F200-Q232 VanDerWaalsContact CE1-CA 3.49Å; F200-Q232 HydrophobicContact CE1-CB 3.86Å; F200-Q232 HydrophobicContact CE1-CG 4.36Å; F200-Y235 HydrophobicContact CZ-CD2 4.47Å; F200-L236 HydrophobicContact CB-CD1 4.06Å; F200-L236 HydrophobicContact CB-CD2 4.23Å; F200-L236 HydrophobicContact CD1-CD1 3.88Å; F200-L236 HydrophobicContact CD1-CD2 4.44Å; F200-L236 HydrophobicContact CD1-CG 4.25Å; F200-L236 HydrophobicContact CD2-CD1 4.5Å; F200-L236 HydrophobicContact CD2-CD2 3.64Å; F200-L236 HydrophobicContact CD2-CG 4.27Å; F200-L236 HydrophobicContact CE1-CD1 4.48Å; F200-L236 HydrophobicContact CE1-CG 4.47Å; F200-L236 HydrophobicContact CE2-CD2 4.03Å; F200-L236 HydrophobicContact CE2-CG 4.45Å; F200-L236 HydrophobicContact CG-CD1 3.89Å; F200-L236 HydrophobicContact CG-CD2 3.84Å; F200-L236 HydrophobicContact CG-CG 4.15Å; F200-D246 WeakPolarHBondContact O-CA 3.21Å; F200-W247 HydrophobicContact CB-CB 4.37Å; F200-W247 PolarHBondContact N-O 3.28Å; F200-W247 PolarHBondContact O-N 3.03Å
201	K	96.1	Very high	95.8	Very high	90 Å²	90	41.8 Å²	41.8	39%	0.391	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136	178.3	-173.8	164.9	-168.6	159.4	0	110.5	V203 W207 R208 V210 L224 C245	K201-V203 HydrophobicContact CG-CG2 4.28Å; K201-W207 VanDerWaalsContact C-CE3 3.49Å; K201-R208 PolarHBondContact N-O 3.26Å; K201-R208 PolarHBondContact O-N 2.95Å; K201-V210 HydrophobicContact CB-CG2 3.97Å; K201-L224 HydrophobicContact CB-CD2 4.2Å; K201-C245 CarbonylContact C-O 3.59Å; K201-C245 WeakPolarHBondContact CA-O 3.48Å
202	K	94.7	Very high	95.9	Very high	56 Å²	56	39.9 Å²	39.9	24%	0.243	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118	177	-159.2	172.3	-175.6	174.4	0	109.2	W207 A242 A244 C245	K202-W207 HydrophobicContact CB-CD2 4.08Å; K202-W207 HydrophobicContact CB-CE3 3.93Å; K202-W207 HydrophobicContact CB-CH2 4.17Å; K202-W207 HydrophobicContact CB-CZ2 4.32Å; K202-W207 HydrophobicContact CB-CZ3 3.98Å; K202-W207 HydrophobicContact CD-CZ2 4.09Å; K202-W207 HydrophobicContact CG-CD2 4.29Å; K202-A242 PolarHBondContact NZ-O 3.47Å; K202-A244 VanDerWaalsContact CD-O 3.29Å; K202-A244 WeakPolarHBondContact CD-O 3.34Å; K202-C245 PolarHBondContact N-O 2.93Å
203	V	93.3	Very high	95.9	Very high	56 Å²	56	41 Å²	41	34%	0.339	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.9	177.5	-179.9	0	0	0	0	108.2	K201 N205 V206 L224	K201-V203 HydrophobicContact CG-CG2 4.28Å; V203-N205 PolarHBondContact O-N 3.32Å; V203-V206 PolarHBondContact N-O 3.1Å; V203-V206 PolarHBondContact O-N 3.41Å; V203-V206 VanDerWaalsContact O-O 3.1Å; V203-L224 HydrophobicContact CG2-CD1 3.65Å
204	E	90.7	Very high	95.8	Very high	182 Å²	182	43.3 Å²	43.3	85%	0.85	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	43.2	-177.9	-59.9	-178.7	164.5	0	0	112.9	V206	E204-V206 PolarHBondContact O-N 3.16Å
205	N	88.1	Confident	95.7	Very high	139 Å²	139	43.7 Å²	43.7	74%	0.743	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	10.5	-174.8	-64.9	-41.2	0	0	0	116.2	V203	V203-N205 PolarHBondContact O-N 3.32Å
206	V	92.2	Very high	95.4	Very high	65 Å²	65	50.9 Å²	50.9	39%	0.394	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.7	176.1	-176.3	0	0	0	0	109.7	V203 E204	V203-V206 PolarHBondContact N-O 3.1Å; V203-V206 PolarHBondContact O-N 3.41Å; V203-V206 VanDerWaalsContact O-O 3.1Å; E204-V206 PolarHBondContact O-N 3.16Å
207	W	95.4	Very high	95	Very high	37 Å²	37	52.9 Å²	52.9	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	138	172	-71.9	109	0	0	0	111.2	F200 K201 K202 Q232 L236 L240 A244 C245 W247	F200-W207 HydrophobicContact CB-CE3 3.84Å; F200-W207 HydrophobicContact CB-CZ3 4.15Å; K201-W207 VanDerWaalsContact C-CE3 3.49Å; K202-W207 HydrophobicContact CB-CD2 4.08Å; K202-W207 HydrophobicContact CB-CE3 3.93Å; K202-W207 HydrophobicContact CB-CH2 4.17Å; K202-W207 HydrophobicContact CB-CZ2 4.32Å; K202-W207 HydrophobicContact CB-CZ3 3.98Å; K202-W207 HydrophobicContact CD-CZ2 4.09Å; K202-W207 HydrophobicContact CG-CD2 4.29Å; W207-Q232 PolarHBondContact O-NE2 3.37Å; W207-Q232 PolarHBondContact O-OE1 3.17Å; W207-L236 HydrophobicContact CB-CD1 3.46Å; W207-L236 VanDerWaalsContact CB-CD1 3.46Å; W207-L236 HydrophobicContact CD2-CD1 3.89Å; W207-L236 HydrophobicContact CE3-CD1 4.27Å; W207-L236 HydrophobicContact CG-CD1 3.54Å; W207-L240 HydrophobicContact CZ2-CD1 4.18Å; W207-A244 HydrophobicContact CH2-CB 4.17Å; W207-A244 HydrophobicContact CZ2-CB 4.15Å; W207-A244 WeakPolarHBondContact CZ2-O 3.49Å; W207-C245 WeakPolarHBondContact CZ3-O 2.96Å; W207-W247 HydrophobicContact CH2-CB 3.88Å; W207-W247 HydrophobicContact CZ3-CB 3.92Å
208	R	96.7	Very high	94.5	Very high	68 Å²	68	57.4 Å²	57.4	26%	0.257	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.3	171.9	-64.1	-62.5	-177.3	-134.2	2.3	109.2	F200 K201 L224 A225	F200-R208 CarbonylContact C-O 3.56Å; F200-R208 WeakPolarHBondContact CA-O 3.38Å; K201-R208 PolarHBondContact N-O 3.26Å; K201-R208 PolarHBondContact O-N 2.95Å; R208-L224 HydrophobicContact CB-CB 4.27Å; R208-L224 HydrophobicContact CB-CD2 4.19Å; R208-A225 WeakPolarHBondContact CD-O 3.45Å
209	E	98.1	Very high	94.3	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.7	169.6	-168.4	171.2	-168.5	0	0	109.9	T47 H198 F200 L211 A225 T229 S231	T47-E209 VanDerWaalsContact CG2-OE1 3.27Å; T47-E209 WeakPolarHBondContact CG2-OE1 3.3Å; H198-E209 IonicContact CE1-OE1 3.94Å; H198-E209 IonicContact CG-OE1 2.62Å; H198-E209 IonicContact ND1-OE1 2.63Å; H198-E209 PolarHBondContact ND1-OE1 3.36Å; F200-E209 HydrophobicContact CD1-CB 3.87Å; F200-E209 HydrophobicContact CD1-CG 4.06Å; F200-E209 HydrophobicContact CE1-CB 3.89Å; F200-E209 HydrophobicContact CE1-CG 3.81Å; E209-L211 HydrophobicContact CB-CD2 4.38Å; E209-L211 HydrophobicContact CG-CD2 3.9Å; E209-A225 HydrophobicContact CB-CB 4.19Å; E209-A225 PolarHBondContact O-N 2.85Å; E209-T229 HydrophobicContact CB-CG2 3.97Å; E209-T229 WeakPolarHBondContact OE2-CB 3.36Å; E209-T229 VanDerWaalsContact OE2-CG2 3.29Å; E209-T229 WeakPolarHBondContact OE2-CG2 3.23Å; E209-T229 PolarHBondContact OE2-OG1 3.17Å; E209-S231 WeakPolarHBondContact OE1-CB 3.33Å; E209-S231 PolarHBondContact OE1-OG 3.35Å; E209-S231 WeakPolarHBondContact OE2-CB 3.16Å; E209-S231 PolarHBondContact OE2-OG 3.33Å
210	V	98.3	Very high	94.3	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.7	169.7	-177.6	0	0	0	0	107.7	V48 K199 K201 F222 C223 L224	V48-V210 HydrophobicContact CG2-CB 4.47Å; V48-V210 HydrophobicContact CG2-CG1 4.28Å; V48-V210 WeakPolarHBondContact CG2-O 3.43Å; K199-V210 HydrophobicContact CB-CB 4.08Å; K199-V210 HydrophobicContact CB-CG2 4.44Å; K199-V210 HydrophobicContact CD-CB 4.06Å; K199-V210 HydrophobicContact CD-CG1 4.18Å; K199-V210 HydrophobicContact CD-CG2 4.1Å; K199-V210 HydrophobicContact CG-CB 4.02Å; K199-V210 HydrophobicContact CG-CG2 3.92Å; K199-V210 PolarHBondContact O-N 3.27Å; K201-V210 HydrophobicContact CB-CG2 3.97Å; V210-F222 HydrophobicContact CG1-CB 4.04Å; V210-F222 HydrophobicContact CG1-CD1 3.75Å; V210-F222 HydrophobicContact CG1-CG 4.14Å; V210-C223 WeakPolarHBondContact CA-O 3.32Å; V210-L224 HydrophobicContact CG2-CD2 4.04Å
211	L	98.2	Very high	94.2	Very high	15 Å²	15	68.2 Å²	68.2	8%	0.079	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	164.3	-179.4	-54.5	179.9	0	0	0	109.8	P45 I46 T47 E209 F222 C223 A225	P45-L211 HydrophobicContact CB-CB 3.8Å; P45-L211 HydrophobicContact CB-CD1 3.9Å; P45-L211 HydrophobicContact CB-CG 4.5Å; I46-L211 CarbonylContact O-C 3.59Å; I46-L211 VanDerWaalsContact O-CA 3.3Å; I46-L211 WeakPolarHBondContact O-CA 3.25Å; I46-L211 WeakPolarHBondContact O-CB 3.37Å; T47-L211 HydrophobicContact CG2-CD2 4.01Å; E209-L211 HydrophobicContact CB-CD2 4.38Å; E209-L211 HydrophobicContact CG-CD2 3.9Å; L211-F222 CarbonylContact O-C 3.45Å; L211-F222 WeakPolarHBondContact O-CA 3.41Å; L211-C223 PolarHBondContact N-O 3.17Å; L211-C223 PolarHBondContact O-N 3.23Å; L211-A225 HydrophobicContact CD1-CB 3.81Å; L211-A225 HydrophobicContact CG-CB 4.21Å
212	V	98.1	Very high	94.3	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	123.7	173.1	-177.3	0	0	0	0	108.4	I40 P45 I46 V48 Y51 L220 R221 F222 L298	I40-V212 HydrophobicContact CD1-CG1 4.48Å; P45-V212 WeakPolarHBondContact CA-O 3.16Å; I46-V212 HydrophobicContact CG1-CB 4.02Å; I46-V212 PolarHBondContact N-O 2.87Å; I46-V212 PolarHBondContact O-N 3.01Å; V48-V212 HydrophobicContact CG2-CG2 4.29Å; Y51-V212 HydrophobicContact CD1-CG2 4.37Å; Y51-V212 HydrophobicContact CD2-CG1 4.28Å; Y51-V212 HydrophobicContact CG-CG1 4.49Å; Y51-V212 HydrophobicContact CG-CG2 4.03Å; V212-L220 HydrophobicContact CG1-CB 4.1Å; V212-L220 HydrophobicContact CG1-CD1 4.27Å; V212-L220 HydrophobicContact CG1-CD2 4.17Å; V212-L220 HydrophobicContact CG1-CG 4.41Å; V212-R221 WeakPolarHBondContact CA-O 3.27Å; V212-F222 HydrophobicContact CG2-CD1 4.05Å; V212-F222 HydrophobicContact CG2-CE1 3.9Å; V212-L298 HydrophobicContact CG1-CD2 3.88Å; V212-L298 HydrophobicContact CG2-CD2 3.97Å
213	D	97.4	Very high	94.4	Very high	30 Å²	30	66.3 Å²	66.3	16%	0.16	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	169.1	-176.6	-170.8	23.5	0	0	0	110.8	I40 P45 L220 R221 C223	I40-D213 WeakPolarHBondContact CG2-OD1 3.43Å; P45-D213 HydrophobicContact CB-CB 4.01Å; P45-D213 HydrophobicContact CG-CB 3.91Å; D213-L220 CarbonylContact O-C 3.6Å; D213-L220 WeakPolarHBondContact O-CA 3.35Å; D213-R221 HydrophobicContact CB-CG 4.33Å; D213-R221 PolarHBondContact N-O 3.15Å; D213-R221 PolarHBondContact O-N 3.01Å; D213-R221 IonicContact OD2-CZ 3.65Å; D213-R221 IonicContact OD2-NE 3.71Å; D213-R221 IonicContact OD2-NH2 2.82Å; D213-R221 PolarHBondContact OD2-NH2 2.84Å; D213-C223 HydrophobicContact CB-CB 4.38Å
214	K	96	Very high	94.6	Very high	56 Å²	56	67.3 Å²	67.3	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.1	170.3	-174.7	170.6	-174.2	176.7	0	109.5	L37 I40 E41 G217 D218 R221	L37-K214 HydrophobicContact CD2-CB 4.24Å; L37-K214 HydrophobicContact CD2-CD 4.11Å; L37-K214 HydrophobicContact CD2-CG 3.85Å; I40-K214 HydrophobicContact CG2-CB 4.25Å; E41-K214 HydrophobicContact CG-CD 4.1Å; E41-K214 WeakPolarHBondContact OE1-CD 3.4Å; E41-K214 IonicContact OE1-NZ 2.62Å; E41-K214 PolarHBondContact OE1-NZ 3.09Å; K214-G217 WeakPolarHBondContact CE-O 3.39Å; K214-D218 IonicContact NZ-OD1 3.79Å; K214-R221 PolarHBondContact O-NE 2.86Å
215	G	92.3	Very high	95	Very high	23 Å²	23	58.8 Å²	58.8	24%	0.237	30%	0.304	C	S	.	.			trans	-93.6	-150.2	174.1	0	0	0	0	0	112.4	E219	G215-E219 WeakPolarHBondContact CA-O 3.35Å; G215-E219 PolarHBondContact N-O 2.9Å
216	E	88.9	Confident	95.2	Very high	180 Å²	180	58.6 Å²	58.6	84%	0.841	31%	0.311	S	S	*	.	S	Bend	trans	-74.2	135.5	171.6	-65.1	-173.2	177.7	0	0	110.1	D218 E219	E216-D218 PolarHBondContact O-N 3.01Å; E216-E219 PolarHBondContact O-N 2.84Å
217	G	89	Confident	95.2	Very high	56 Å²	56	57 Å²	57	58%	0.577	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	-132.5	-177	0	0	0	0	0	112.5	K214	K214-G217 WeakPolarHBondContact CE-O 3.39Å
218	D	88.8	Confident	95.2	Very high	104 Å²	104	59.5 Å²	59.5	56%	0.556	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	26.4	-179.9	-72	-20.7	0	0	0	112.3	L37 K214 E216	L37-D218 HydrophobicContact CD1-CB 3.74Å; K214-D218 IonicContact NZ-OD1 3.79Å; E216-D218 PolarHBondContact O-N 3.01Å
219	E	93.2	Very high	95.1	Very high	125 Å²	125	57.2 Å²	57.2	58%	0.584	32%	0.32	S	S	*	.			trans	-93.3	149.1	177.4	-62.2	-173	169.5	0	0	111.5	G215 E216	G215-E219 WeakPolarHBondContact CA-O 3.35Å; G215-E219 PolarHBondContact N-O 2.9Å; E216-E219 PolarHBondContact O-N 2.84Å
220	L	96.6	Very high	95	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	148.6	170.2	-65.1	173.7	0	0	0	109.3	L33 L36 L37 I40 Y51 V212 D213 L298 P301	L33-L220 HydrophobicContact CD1-CD1 3.92Å; L33-L220 HydrophobicContact CD1-CD2 4.43Å; L33-L220 HydrophobicContact CD1-CG 3.79Å; L36-L220 HydrophobicContact CD1-CD1 4.11Å; L37-L220 HydrophobicContact CD2-CD2 3.82Å; I40-L220 HydrophobicContact CD1-CD2 3.63Å; Y51-L220 HydrophobicContact CD2-CD1 4.27Å; Y51-L220 HydrophobicContact CE2-CD1 3.69Å; V212-L220 HydrophobicContact CG1-CB 4.1Å; V212-L220 HydrophobicContact CG1-CD1 4.27Å; V212-L220 HydrophobicContact CG1-CD2 4.17Å; V212-L220 HydrophobicContact CG1-CG 4.41Å; D213-L220 CarbonylContact O-C 3.6Å; D213-L220 WeakPolarHBondContact O-CA 3.35Å; L220-L298 HydrophobicContact CB-CB 4.07Å; L220-L298 HydrophobicContact CB-CD1 4.2Å; L220-L298 HydrophobicContact CB-CG 4.5Å; L220-P301 HydrophobicContact CD1-CG 4.38Å
221	R	97	Very high	94.8	Very high	121 Å²	121	62.9 Å²	62.9	46%	0.457	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.6	174.4	64.5	173.8	179.6	136.8	12.2	111.4	V212 D213 K214 L298	V212-R221 WeakPolarHBondContact CA-O 3.27Å; D213-R221 HydrophobicContact CB-CG 4.33Å; D213-R221 PolarHBondContact N-O 3.15Å; D213-R221 PolarHBondContact O-N 3.01Å; D213-R221 IonicContact OD2-CZ 3.65Å; D213-R221 IonicContact OD2-NE 3.71Å; D213-R221 IonicContact OD2-NH2 2.82Å; D213-R221 PolarHBondContact OD2-NH2 2.84Å; K214-R221 PolarHBondContact O-NE 2.86Å; R221-L298 VanDerWaalsContact CA-CD1 3.5Å
222	F	97.7	Very high	94.6	Very high	81 Å²	81	63.1 Å²	63.1	36%	0.355	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	139.3	164	-67.2	-61.9	0	0	0	110.3	V48 V210 L211 V212 L286 P297 L298	V48-F222 HydrophobicContact CG2-CD1 4.36Å; V48-F222 HydrophobicContact CG2-CE1 3.98Å; V210-F222 HydrophobicContact CG1-CB 4.04Å; V210-F222 HydrophobicContact CG1-CD1 3.75Å; V210-F222 HydrophobicContact CG1-CG 4.14Å; L211-F222 CarbonylContact O-C 3.45Å; L211-F222 WeakPolarHBondContact O-CA 3.41Å; V212-F222 HydrophobicContact CG2-CD1 4.05Å; V212-F222 HydrophobicContact CG2-CE1 3.9Å; F222-L286 HydrophobicContact CE1-CD2 4.39Å; F222-L286 HydrophobicContact CZ-CD2 3.96Å; F222-P297 HydrophobicContact CZ-CB 4.17Å; F222-L298 HydrophobicContact CD1-CD1 4.12Å; F222-L298 HydrophobicContact CD1-CD2 4.49Å; F222-L298 HydrophobicContact CD2-CD1 3.78Å; F222-L298 HydrophobicContact CD2-CG 4.28Å; F222-L298 HydrophobicContact CE1-CD1 4.15Å; F222-L298 HydrophobicContact CE1-CD2 3.82Å; F222-L298 HydrophobicContact CE1-CG 4.16Å; F222-L298 HydrophobicContact CE2-CD1 3.82Å; F222-L298 HydrophobicContact CE2-CD2 4.31Å; F222-L298 HydrophobicContact CE2-CG 3.78Å; F222-L298 HydrophobicContact CG-CD1 3.94Å; F222-L298 HydrophobicContact CZ-CD1 4.01Å; F222-L298 HydrophobicContact CZ-CD2 3.73Å; F222-L298 HydrophobicContact CZ-CG 3.72Å
223	C	97.4	Very high	94.4	Very high	25 Å²	25	67.4 Å²	67.4	17%	0.169	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	166.3	170.4	71.2	0	0	0	0	110.4	V210 L211 D213	V210-C223 WeakPolarHBondContact CA-O 3.32Å; L211-C223 PolarHBondContact N-O 3.17Å; L211-C223 PolarHBondContact O-N 3.23Å; D213-C223 HydrophobicContact CB-CB 4.38Å
224	L	97.7	Very high	94.3	Very high	76 Å²	76	69.2 Å²	69.2	40%	0.398	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.8	175.1	-63.4	175.9	0	0	0	109.6	K201 V203 R208 V210	K201-L224 HydrophobicContact CB-CD2 4.2Å; V203-L224 HydrophobicContact CG2-CD1 3.65Å; R208-L224 HydrophobicContact CB-CB 4.27Å; R208-L224 HydrophobicContact CB-CD2 4.19Å; V210-L224 HydrophobicContact CG2-CD2 4.04Å
225	A	97.3	Very high	94.1	Very high	4 Å²	4	70.4 Å²	70.4	3%	0.033	41%	0.411	C	S	.	.			trans	-55.8	135	172	0	0	0	0	0	110.3	R208 E209 L211 G227 T229	R208-A225 WeakPolarHBondContact CD-O 3.45Å; E209-A225 HydrophobicContact CB-CB 4.19Å; E209-A225 PolarHBondContact O-N 2.85Å; L211-A225 HydrophobicContact CD1-CB 3.81Å; L211-A225 HydrophobicContact CG-CB 4.21Å; A225-G227 WeakPolarHBondContact CB-O 3.48Å; A225-G227 PolarHBondContact O-N 2.95Å; A225-T229 HydrophobicContact CB-CG2 3.53Å
226	P	93.1	Very high	94.1	Very high	135 Å²	135	70.6 Å²	70.6	88%	0.877	41%	0.406	S	S	*	.	S	Bend	trans	-69.4	-16.4	-178.3	27.6	-35	0	0	0	113.1
227	G	93.1	Very high	93.9	Very high	31 Å²	31	66.3 Å²	66.3	32%	0.32	39%	0.389	S	S	.	.	S	Bend	trans	-151.5	-173.5	179.1	0	0	0	0	0	111.6	A225 T229	A225-G227 WeakPolarHBondContact CB-O 3.48Å; A225-G227 PolarHBondContact O-N 2.95Å; G227-T229 PolarHBondContact O-N 3.41Å
228	V	94.1	Very high	93.6	Very high	89 Å²	89	72 Å²	72	54%	0.539	41%	0.406	S	S	.	.			trans	-68.7	126.6	176.4	-178.8	0	0	0	0	109.2	Q232 S233	V228-Q232 HydrophobicContact CG1-CB 4.23Å; V228-Q232 HydrophobicContact CG1-CG 4.3Å; V228-S233 VanDerWaalsContact CG1-OG 3.31Å; V228-S233 WeakPolarHBondContact CG1-OG 3.35Å
229	T	95.6	Very high	93.4	Very high	21 Å²	21	72 Å²	72	13%	0.129	41%	0.41	C	S	.	.			trans	-94.2	161.1	177.6	66	0	0	0	0	111.3	E209 A225 G227 S231 Q232 S233	E209-T229 HydrophobicContact CB-CG2 3.97Å; E209-T229 WeakPolarHBondContact OE2-CB 3.36Å; E209-T229 VanDerWaalsContact OE2-CG2 3.29Å; E209-T229 WeakPolarHBondContact OE2-CG2 3.23Å; E209-T229 PolarHBondContact OE2-OG1 3.17Å; A225-T229 HydrophobicContact CB-CG2 3.53Å; G227-T229 PolarHBondContact O-N 3.41Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.15Å; T229-Q232 WeakPolarHBondContact O-CB 3.48Å; T229-Q232 PolarHBondContact O-N 2.81Å; T229-Q232 VanDerWaalsContact O-N 3.15Å; T229-Q232 VanDerWaalsContact OG1-CB 3.3Å; T229-Q232 WeakPolarHBondContact OG1-CB 2.85Å; T229-Q232 PolarHBondContact OG1-N 3.38Å; T229-Q232 VanDerWaalsContact OG1-N 3.09Å; T229-S233 PolarHBondContact O-N 3.16Å; T229-S233 VanDerWaalsContact O-N 3.09Å; T229-S233 PolarHBondContact O-OG 2.98Å
230	P	95.2	Very high	93.1	Very high	114 Å²	114	67.3 Å²	67.3	74%	0.74	39%	0.389	S	S	*	.	H	α-helix	trans	-56.1	-40.6	172.6	-26.6	35.7	0	0	0	113.1	Q232 S233 A234	P230-Q232 VanDerWaalsContact C-N 3.33Å; P230-Q232 PolarHBondContact O-N 2.78Å; P230-S233 PolarHBondContact O-N 3.35Å; P230-A234 WeakPolarHBondContact O-CB 3.46Å; P230-A234 PolarHBondContact O-N 3.12Å
231	S	94.4	Very high	92.7	Very high	17 Å²	17	68.5 Å²	68.5	12%	0.119	40%	0.397	C	S	.	.	H	α-helix	trans	-61.8	-42	176.7	-31.6	0	0	0	0	111.3	H198 E209 T229 A234 Y235	H198-S231 PolarHBondContact CE1-OG 2.91Å; H198-S231 VanDerWaalsContact CE1-OG 3.23Å; H198-S231 WeakPolarHBondContact ND1-CB 3.29Å; H198-S231 PolarHBondContact ND1-OG 2.78Å; E209-S231 WeakPolarHBondContact OE1-CB 3.33Å; E209-S231 PolarHBondContact OE1-OG 3.35Å; E209-S231 WeakPolarHBondContact OE2-CB 3.16Å; E209-S231 PolarHBondContact OE2-OG 3.33Å; T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.15Å; S231-A234 PolarHBondContact O-N 3.15Å; S231-Y235 WeakPolarHBondContact O-CB 3.43Å; S231-Y235 WeakPolarHBondContact O-CD2 3.39Å; S231-Y235 PolarHBondContact O-N 3.4Å
232	Q	94.1	Very high	92.1	Very high	20 Å²	20	67 Å²	67	9%	0.093	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-45.7	177.7	-173.4	-177.7	-39.8	0	0	111.4	F200 W207 V228 T229 P230 A234 L236	F200-Q232 HydrophobicContact CD1-CB 4.31Å; F200-Q232 HydrophobicContact CD1-CG 4.37Å; F200-Q232 VanDerWaalsContact CE1-CA 3.49Å; F200-Q232 HydrophobicContact CE1-CB 3.86Å; F200-Q232 HydrophobicContact CE1-CG 4.36Å; W207-Q232 PolarHBondContact O-NE2 3.37Å; W207-Q232 PolarHBondContact O-OE1 3.17Å; V228-Q232 HydrophobicContact CG1-CB 4.23Å; V228-Q232 HydrophobicContact CG1-CG 4.3Å; T229-Q232 WeakPolarHBondContact O-CB 3.48Å; T229-Q232 PolarHBondContact O-N 2.81Å; T229-Q232 VanDerWaalsContact O-N 3.15Å; T229-Q232 VanDerWaalsContact OG1-CB 3.3Å; T229-Q232 WeakPolarHBondContact OG1-CB 2.85Å; T229-Q232 PolarHBondContact OG1-N 3.38Å; T229-Q232 VanDerWaalsContact OG1-N 3.09Å; P230-Q232 VanDerWaalsContact C-N 3.33Å; P230-Q232 PolarHBondContact O-N 2.78Å; Q232-A234 VanDerWaalsContact C-N 3.28Å; Q232-A234 PolarHBondContact O-N 3.44Å; Q232-L236 HydrophobicContact CG-CD1 3.67Å; Q232-L236 HydrophobicContact CG-CG 4.33Å; Q232-L236 WeakPolarHBondContact O-CB 3.4Å; Q232-L236 PolarHBondContact O-N 3.16Å
233	S	94.1	Very high	91.7	Very high	89 Å²	89	69.9 Å²	69.9	62%	0.622	43%	0.43	S	S	*	.	H	α-helix	trans	-67.3	-27.4	177.5	-62.7	0	0	0	0	113.6	V228 T229 P230	V228-S233 VanDerWaalsContact CG1-OG 3.31Å; V228-S233 WeakPolarHBondContact CG1-OG 3.35Å; T229-S233 PolarHBondContact O-N 3.16Å; T229-S233 VanDerWaalsContact O-N 3.09Å; T229-S233 PolarHBondContact O-OG 2.98Å; P230-S233 PolarHBondContact O-N 3.35Å
234	A	93.9	Very high	91.5	Very high	68 Å²	68	69.1 Å²	69.1	56%	0.562	43%	0.426	S	S	*	.	H	α-helix	trans	-85	-32.8	-177.2	0	0	0	0	0	113.6	P230 S231 Q232	P230-A234 WeakPolarHBondContact O-CB 3.46Å; P230-A234 PolarHBondContact O-N 3.12Å; S231-A234 PolarHBondContact O-N 3.15Å; Q232-A234 VanDerWaalsContact C-N 3.28Å; Q232-A234 PolarHBondContact O-N 3.44Å
235	Y	92.7	Very high	91.3	Very high	82 Å²	82	69 Å²	69	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-118.9	-8.4	-165.9	-54.9	-51.2	0	0	0	115.3	F200 S231 V249 P251	F200-Y235 HydrophobicContact CZ-CD2 4.47Å; S231-Y235 WeakPolarHBondContact O-CB 3.43Å; S231-Y235 WeakPolarHBondContact O-CD2 3.39Å; S231-Y235 PolarHBondContact O-N 3.4Å; Y235-V249 HydrophobicContact CD1-CG1 4.49Å; Y235-V249 HydrophobicContact CG-CG1 4.34Å; Y235-P251 HydrophobicContact CD1-CG 4.23Å; Y235-P251 HydrophobicContact CD2-CG 3.99Å; Y235-P251 HydrophobicContact CE1-CB 4.06Å; Y235-P251 HydrophobicContact CE1-CG 3.64Å; Y235-P251 HydrophobicContact CE2-CB 4.35Å; Y235-P251 HydrophobicContact CE2-CG 3.36Å; Y235-P251 HydrophobicContact CG-CG 4.39Å; Y235-P251 WeakPolarHBondContact OH-CB 3.35Å; Y235-P251 WeakPolarHBondContact OH-CG 3.43Å
236	L	91.4	Very high	91.2	Very high	27 Å²	27	70.5 Å²	70.5	14%	0.141	44%	0.438	C	S	.	.			trans	-105.4	130.3	171.6	-54.7	-174.3	0	0	0	109.7	F200 W207 Q232 L240 W247	F200-L236 HydrophobicContact CB-CD1 4.06Å; F200-L236 HydrophobicContact CB-CD2 4.23Å; F200-L236 HydrophobicContact CD1-CD1 3.88Å; F200-L236 HydrophobicContact CD1-CD2 4.44Å; F200-L236 HydrophobicContact CD1-CG 4.25Å; F200-L236 HydrophobicContact CD2-CD1 4.5Å; F200-L236 HydrophobicContact CD2-CD2 3.64Å; F200-L236 HydrophobicContact CD2-CG 4.27Å; F200-L236 HydrophobicContact CE1-CD1 4.48Å; F200-L236 HydrophobicContact CE1-CG 4.47Å; F200-L236 HydrophobicContact CE2-CD2 4.03Å; F200-L236 HydrophobicContact CE2-CG 4.45Å; F200-L236 HydrophobicContact CG-CD1 3.89Å; F200-L236 HydrophobicContact CG-CD2 3.84Å; F200-L236 HydrophobicContact CG-CG 4.15Å; W207-L236 HydrophobicContact CB-CD1 3.46Å; W207-L236 VanDerWaalsContact CB-CD1 3.46Å; W207-L236 HydrophobicContact CD2-CD1 3.89Å; W207-L236 HydrophobicContact CE3-CD1 4.27Å; W207-L236 HydrophobicContact CG-CD1 3.54Å; Q232-L236 HydrophobicContact CG-CD1 3.67Å; Q232-L236 HydrophobicContact CG-CG 4.33Å; Q232-L236 WeakPolarHBondContact O-CB 3.4Å; Q232-L236 PolarHBondContact O-N 3.16Å; L236-L240 HydrophobicContact CB-CD1 4.12Å; L236-L240 HydrophobicContact CD2-CD1 3.76Å; L236-L240 HydrophobicContact CG-CD1 4.45Å; L236-W247 HydrophobicContact CD2-CB 4.49Å; L236-W247 HydrophobicContact CD2-CG 4.36Å
237	D	85.6	Confident	91.3	Very high	89 Å²	89	65 Å²	65	48%	0.476	40%	0.4	S	S	.	.			trans	-137.6	178.8	174.5	66.8	25	0	0	0	111.4	T239 L240	D237-T239 PolarHBondContact O-N 3.06Å; D237-T239 WeakPolarHBondContact OD1-CA 3.34Å; D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.28Å; D237-T239 PolarHBondContact OD1-N 3.04Å; D237-T239 PolarHBondContact OD1-OG1 3.07Å; D237-L240 WeakPolarHBondContact O-CG 3.2Å; D237-L240 PolarHBondContact O-N 3.47Å
238	D	82.2	Confident	91.5	Very high	177 Å²	177	64.2 Å²	64.2	95%	0.947	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	2.8	-179	-65.2	-31	0	0	0	113.4	L240	D238-L240 VanDerWaalsContact C-N 3.33Å
239	T	84.4	Confident	91.6	Very high	102 Å²	102	60.2 Å²	60.2	63%	0.626	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.1	176.7	77.1	0	0	0	0	113	D237	D237-T239 PolarHBondContact O-N 3.06Å; D237-T239 WeakPolarHBondContact OD1-CA 3.34Å; D237-T239 WeakPolarHBondContact OD1-CB 3.4Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.28Å; D237-T239 PolarHBondContact OD1-N 3.04Å; D237-T239 PolarHBondContact OD1-OG1 3.07Å
240	L	87.1	Confident	91.6	Very high	27 Å²	27	59.7 Å²	59.7	14%	0.141	36%	0.361	C	S	.	.	S	Bend	trans	-63	142.9	176.1	-62.6	178.1	0	0	0	111.6	W207 L236 D237 D238 A242 W247	W207-L240 HydrophobicContact CZ2-CD1 4.18Å; L236-L240 HydrophobicContact CB-CD1 4.12Å; L236-L240 HydrophobicContact CD2-CD1 3.76Å; L236-L240 HydrophobicContact CG-CD1 4.45Å; D237-L240 WeakPolarHBondContact O-CG 3.2Å; D237-L240 PolarHBondContact O-N 3.47Å; D238-L240 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 2.73Å; L240-W247 HydrophobicContact CD2-CD2 3.55Å; L240-W247 HydrophobicContact CD2-CE3 3.99Å; L240-W247 HydrophobicContact CD2-CG 4.11Å; L240-W247 HydrophobicContact CD2-CH2 3.79Å; L240-W247 HydrophobicContact CD2-CZ2 3.32Å; L240-W247 HydrophobicContact CD2-CZ3 4.09Å
241	P	87.8	Confident	91.7	Very high	43 Å²	43	55.2 Å²	55.2	28%	0.279	33%	0.332	S	S	.	.			trans	-53.9	134.5	174	-24.3	33.4	0	0	0	111.6	D243 A244 W247	P241-D243 PolarHBondContact O-N 2.66Å; P241-A244 HydrophobicContact CB-CB 4.24Å; P241-A244 WeakPolarHBondContact O-CB 3.13Å; P241-A244 PolarHBondContact O-N 2.91Å; P241-W247 HydrophobicContact CG-CH2 4.44Å; P241-W247 HydrophobicContact CG-CZ3 4.15Å
242	A	86.1	Confident	91.8	Very high	91 Å²	91	55.9 Å²	55.9	75%	0.752	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.4	-173.2	0	0	0	0	0	113.3	K202 L240	K202-A242 PolarHBondContact NZ-O 3.47Å; L240-A242 PolarHBondContact O-N 2.73Å
243	D	89.2	Confident	92	Very high	140 Å²	140	55.1 Å²	55.1	75%	0.749	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0	177.9	63.5	-30.8	0	0	0	114	P241 C245	P241-D243 PolarHBondContact O-N 2.66Å; D243-C245 PolarHBondContact O-N 3.31Å
244	A	91.7	Very high	92.2	Very high	9 Å²	9	51.1 Å²	51.1	7%	0.074	31%	0.307	C	S	.	.			trans	-63.4	126.9	174.9	0	0	0	0	0	111.1	K202 W207 P241 W247	K202-A244 VanDerWaalsContact CD-O 3.29Å; K202-A244 WeakPolarHBondContact CD-O 3.34Å; W207-A244 HydrophobicContact CH2-CB 4.17Å; W207-A244 HydrophobicContact CZ2-CB 4.15Å; W207-A244 WeakPolarHBondContact CZ2-O 3.49Å; P241-A244 HydrophobicContact CB-CB 4.24Å; P241-A244 WeakPolarHBondContact O-CB 3.13Å; P241-A244 PolarHBondContact O-N 2.91Å; A244-W247 HydrophobicContact CB-CE3 4.12Å; A244-W247 HydrophobicContact CB-CZ3 4.37Å
245	C	93.8	Very high	92.3	Very high	74 Å²	74	51.9 Å²	51.9	50%	0.5	31%	0.305	S	S	.	.			trans	-109.4	-28.4	176.8	-70.4	0	0	0	0	112.9	K201 K202 W207 D243	K201-C245 CarbonylContact C-O 3.59Å; K201-C245 WeakPolarHBondContact CA-O 3.48Å; K202-C245 PolarHBondContact N-O 2.93Å; W207-C245 WeakPolarHBondContact CZ3-O 2.96Å; D243-C245 PolarHBondContact O-N 3.31Å
246	D	95.3	Very high	92.6	Very high	36 Å²	36	49 Å²	49	19%	0.193	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137	-179.5	-60.1	-83.5	0	0	0	108.3	F200 G283 D284	F200-D246 WeakPolarHBondContact O-CA 3.21Å; D246-G283 PolarHBondContact O-N 2.85Å; D246-D284 HydrophobicContact CB-CB 4.17Å
247	W	96	Very high	92.9	Very high	18 Å²	18	47.7 Å²	47.7	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.9	-175.5	-159.5	-101.7	0	0	0	111.2	K199 F200 W207 L236 L240 P241 A244 V249 G282	K199-W247 CarbonylContact C-O 3.57Å; F200-W247 HydrophobicContact CB-CB 4.37Å; F200-W247 PolarHBondContact N-O 3.28Å; F200-W247 PolarHBondContact O-N 3.03Å; W207-W247 HydrophobicContact CH2-CB 3.88Å; W207-W247 HydrophobicContact CZ3-CB 3.92Å; L236-W247 HydrophobicContact CD2-CB 4.49Å; L236-W247 HydrophobicContact CD2-CG 4.36Å; L240-W247 HydrophobicContact CD2-CD2 3.55Å; L240-W247 HydrophobicContact CD2-CE3 3.99Å; L240-W247 HydrophobicContact CD2-CG 4.11Å; L240-W247 HydrophobicContact CD2-CH2 3.79Å; L240-W247 HydrophobicContact CD2-CZ2 3.32Å; L240-W247 HydrophobicContact CD2-CZ3 4.09Å; P241-W247 HydrophobicContact CG-CH2 4.44Å; P241-W247 HydrophobicContact CG-CZ3 4.15Å; A244-W247 HydrophobicContact CB-CE3 4.12Å; A244-W247 HydrophobicContact CB-CZ3 4.37Å; W247-V249 VanDerWaalsContact CD1-CG2 3.42Å; W247-V249 VanDerWaalsContact NE1-CG2 3.32Å; W247-G282 VanDerWaalsContact CE3-CA 3.4Å
248	E	96.5	Very high	93.5	Very high	16 Å²	16	47.2 Å²	47.2	8%	0.075	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.2	180	-70.9	172.7	174.4	0	0	109.4	V197 H198 K199 T285 L286	V197-E248 HydrophobicContact CB-CB 4.46Å; H198-E248 VanDerWaalsContact O-CA 3.28Å; H198-E248 WeakPolarHBondContact O-CA 3.41Å; K199-E248 HydrophobicContact CB-CG 4.34Å; K199-E248 HydrophobicContact CG-CG 4.1Å; K199-E248 IonicContact NZ-OE1 3.73Å; K199-E248 PolarHBondContact NZ-OE1 3.36Å; E248-T285 PolarHBondContact OE1-N 3.1Å; E248-T285 WeakPolarHBondContact OE2-CB 3.21Å; E248-T285 PolarHBondContact OE2-N 2.95Å; E248-T285 PolarHBondContact OE2-OG1 3.48Å; E248-L286 PolarHBondContact OE1-N 2.99Å
249	V	95.9	Very high	94.2	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.5	-179.7	-179.2	0	0	0	0	109.1	V197 H198 Y235 W247 P251 Y314	V197-V249 CarbonylContact C-O 3.58Å; V197-V249 WeakPolarHBondContact CA-O 3.36Å; H198-V249 PolarHBondContact N-O 2.95Å; H198-V249 PolarHBondContact O-N 2.93Å; Y235-V249 HydrophobicContact CD1-CG1 4.49Å; Y235-V249 HydrophobicContact CG-CG1 4.34Å; W247-V249 VanDerWaalsContact CD1-CG2 3.42Å; W247-V249 VanDerWaalsContact NE1-CG2 3.32Å; V249-P251 VanDerWaalsContact O-CD 3.28Å; V249-P251 WeakPolarHBondContact O-CD 3.39Å; V249-Y314 HydrophobicContact CG1-CD1 4.41Å; V249-Y314 HydrophobicContact CG1-CD2 4.06Å; V249-Y314 HydrophobicContact CG1-CE1 3.89Å; V249-Y314 HydrophobicContact CG1-CE2 3.48Å; V249-Y314 VanDerWaalsContact CG1-CE2 3.48Å; V249-Y314 HydrophobicContact CG1-CG 4.48Å
250	S	97.2	Very high	94.9	Very high	11 Å²	11	34.7 Å²	34.7	8%	0.077	21%	0.214	C	C	.	.			trans	-112	92.5	173.6	-170.8	0	0	0	0	112	P196 A252 S253 A254 Y314	P196-S250 WeakPolarHBondContact O-CB 3.37Å; P196-S250 PolarHBondContact O-OG 3.06Å; S250-A252 PolarHBondContact O-N 3.48Å; S250-S253 WeakPolarHBondContact CB-OG 3.31Å; S250-S253 WeakPolarHBondContact O-CB 3.15Å; S250-S253 PolarHBondContact O-N 3.2Å; S250-S253 VanDerWaalsContact O-N 3.16Å; S250-S253 PolarHBondContact OG-N 2.96Å; S250-S253 PolarHBondContact OG-OG 2.94Å; S250-A254 PolarHBondContact O-N 3Å; S250-Y314 WeakPolarHBondContact O-CE1 3.39Å
251	P	97	Very high	95.4	Very high	20 Å²	20	33.4 Å²	33.4	13%	0.13	21%	0.208	C	C	.	.	H	α-helix	trans	-59.8	-28.8	170	-21.9	33.5	0	0	0	112.3	Y235 V249 A254 V255	Y235-P251 HydrophobicContact CD1-CG 4.23Å; Y235-P251 HydrophobicContact CD2-CG 3.99Å; Y235-P251 HydrophobicContact CE1-CB 4.06Å; Y235-P251 HydrophobicContact CE1-CG 3.64Å; Y235-P251 HydrophobicContact CE2-CB 4.35Å; Y235-P251 HydrophobicContact CE2-CG 3.36Å; Y235-P251 HydrophobicContact CG-CG 4.39Å; Y235-P251 WeakPolarHBondContact OH-CB 3.35Å; Y235-P251 WeakPolarHBondContact OH-CG 3.43Å; V249-P251 VanDerWaalsContact O-CD 3.28Å; V249-P251 WeakPolarHBondContact O-CD 3.39Å; P251-A254 VanDerWaalsContact O-CB 3.31Å; P251-A254 WeakPolarHBondContact O-CB 3.49Å; P251-A254 PolarHBondContact O-N 3.34Å; P251-V255 WeakPolarHBondContact O-CG2 3.35Å; P251-V255 PolarHBondContact O-N 3.16Å; P251-V255 VanDerWaalsContact O-N 3.14Å
252	A	96.8	Very high	95.9	Very high	30 Å²	30	37.6 Å²	37.6	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-43.3	175.6	0	0	0	0	0	111.2	M195 S250 A254 V255 V256	M195-A252 HydrophobicContact CE-CB 3.62Å; M195-A252 WeakPolarHBondContact CE-O 3.46Å; S250-A252 PolarHBondContact O-N 3.48Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.24Å; A252-V255 PolarHBondContact O-N 3.5Å; A252-V256 PolarHBondContact O-N 3.03Å
253	S	97.8	Very high	96.4	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.028	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-38.9	172	-60.7	0	0	0	0	112.3	M195 S250 V255 V256 M257	M195-S253 WeakPolarHBondContact CB-OG 3.37Å; M195-S253 WeakPolarHBondContact CG-OG 3.18Å; S250-S253 WeakPolarHBondContact CB-OG 3.31Å; S250-S253 WeakPolarHBondContact O-CB 3.15Å; S250-S253 PolarHBondContact O-N 3.2Å; S250-S253 VanDerWaalsContact O-N 3.16Å; S250-S253 PolarHBondContact OG-N 2.96Å; S250-S253 PolarHBondContact OG-OG 2.94Å; S253-V255 VanDerWaalsContact C-N 3.35Å; S253-V255 PolarHBondContact O-N 3.16Å; S253-V256 PolarHBondContact O-N 2.73Å; S253-M257 WeakPolarHBondContact O-CB 3.38Å; S253-M257 VanDerWaalsContact O-CG 3.29Å; S253-M257 WeakPolarHBondContact O-CG 3.38Å; S253-M257 PolarHBondContact O-N 2.88Å
254	A	96.9	Very high	96.8	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	15%	0.152	C	C	.	.	H	α-helix	trans	-58.5	-44.1	176.7	0	0	0	0	0	112.4	S250 P251 A252 V256 M257 Q258 Y314 Q318	S250-A254 PolarHBondContact O-N 3Å; P251-A254 VanDerWaalsContact O-CB 3.31Å; P251-A254 WeakPolarHBondContact O-CB 3.49Å; P251-A254 PolarHBondContact O-N 3.34Å; A252-A254 VanDerWaalsContact C-N 3.31Å; A252-A254 PolarHBondContact O-N 3.24Å; A254-V256 PolarHBondContact O-N 3.33Å; A254-M257 PolarHBondContact O-N 2.94Å; A254-Q258 WeakPolarHBondContact O-CB 3.32Å; A254-Q258 VanDerWaalsContact O-CG 3.27Å; A254-Q258 WeakPolarHBondContact O-CG 3.41Å; A254-Q258 PolarHBondContact O-N 3.26Å; A254-Y314 HydrophobicContact CB-CE1 4Å; A254-Q318 HydrophobicContact CB-CB 4.28Å; A254-Q318 HydrophobicContact CB-CG 3.64Å
255	V	97.5	Very high	97	Very high	84 Å²	84	29.8 Å²	29.8	51%	0.509	17%	0.168	S	C	.	.	H	α-helix	trans	-61.4	-44.4	178.9	173.7	0	0	0	0	111.4	P251 A252 S253 Q258 S259	P251-V255 WeakPolarHBondContact O-CG2 3.35Å; P251-V255 PolarHBondContact O-N 3.16Å; P251-V255 VanDerWaalsContact O-N 3.14Å; A252-V255 PolarHBondContact O-N 3.5Å; S253-V255 VanDerWaalsContact C-N 3.35Å; S253-V255 PolarHBondContact O-N 3.16Å; V255-Q258 PolarHBondContact O-N 3.35Å; V255-S259 PolarHBondContact O-N 3.27Å; V255-S259 PolarHBondContact O-OG 3.29Å
256	V	98.2	Very high	97.1	Very high	22 Å²	22	29.8 Å²	29.8	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-45.9	177.1	177.8	0	0	0	0	110.6	L113 V176 F191 F192 M195 A252 S253 A254 Q258 S259 L260	L113-V256 HydrophobicContact CD2-CG1 3.7Å; V176-V256 HydrophobicContact CG2-CG1 4.05Å; F191-V256 HydrophobicContact CE1-CG1 3.99Å; F191-V256 HydrophobicContact CE1-CG2 4.3Å; F192-V256 HydrophobicContact CE1-CB 4.1Å; F192-V256 HydrophobicContact CE1-CG1 4.11Å; F192-V256 HydrophobicContact CZ-CB 4.48Å; F192-V256 HydrophobicContact CZ-CG1 4.03Å; M195-V256 HydrophobicContact CE-CG2 3.76Å; A252-V256 PolarHBondContact O-N 3.03Å; S253-V256 PolarHBondContact O-N 2.73Å; A254-V256 PolarHBondContact O-N 3.33Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.11Å; V256-S259 WeakPolarHBondContact O-CB 3.35Å; V256-S259 PolarHBondContact O-N 2.77Å; V256-S259 VanDerWaalsContact O-N 3.14Å; V256-L260 HydrophobicContact CG1-CD1 4.2Å; V256-L260 HydrophobicContact CG1-CG 4.43Å; V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 3.36Å
257	M	98.1	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-42.1	178	-74.1	-62.4	-66.3	0	0	112.8	F192 S253 A254 S259 L260 A261 V273 L315 V319 F380 M382	F192-M257 HydrophobicContact CE1-CG 3.89Å; F192-M257 HydrophobicContact CE1-SD 4.06Å; F192-M257 HydrophobicContact CE2-SD 4.17Å; F192-M257 HydrophobicContact CZ-CG 3.95Å; F192-M257 HydrophobicContact CZ-SD 3.51Å; F192-M257 VanDerWaalsContact CZ-SD 3.51Å; S253-M257 WeakPolarHBondContact O-CB 3.38Å; S253-M257 VanDerWaalsContact O-CG 3.29Å; S253-M257 WeakPolarHBondContact O-CG 3.38Å; S253-M257 PolarHBondContact O-N 2.88Å; A254-M257 PolarHBondContact O-N 2.94Å; M257-S259 VanDerWaalsContact C-N 3.35Å; M257-L260 PolarHBondContact O-N 2.9Å; M257-L260 HydrophobicContact SD-CD1 4.36Å; M257-A261 WeakPolarHBondContact O-CB 3.37Å; M257-A261 PolarHBondContact O-N 2.81Å; M257-V273 HydrophobicContact SD-CG2 4.41Å; M257-L315 HydrophobicContact CE-CB 4.14Å; M257-L315 HydrophobicContact CG-CB 4.33Å; M257-L315 HydrophobicContact CG-CD1 4.49Å; M257-L315 HydrophobicContact CG-CD2 3.87Å; M257-L315 HydrophobicContact CG-CG 4.43Å; M257-L315 HydrophobicContact SD-CD1 4.33Å; M257-V319 HydrophobicContact CB-CG1 3.8Å; M257-V319 HydrophobicContact CE-CG1 4.41Å; M257-V319 HydrophobicContact CE-CG2 4.21Å; M257-F380 HydrophobicContact CE-CE1 3.88Å; M257-M382 HydrophobicContact CE-CE 4.06Å; M257-M382 HydrophobicContact CE-CG 4.21Å; M257-M382 HydrophobicContact CE-SD 3.18Å; M257-M382 WeakPolarHBondContact CE-SD 3.35Å; M257-M382 HydrophobicContact SD-SD 4.05Å
258	Q	97.8	Very high	97.2	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-64.7	-39.1	175.6	-72.6	168.3	1.4	0	0	111.7	A254 V255 V256 A261 K262	A254-Q258 WeakPolarHBondContact O-CB 3.32Å; A254-Q258 VanDerWaalsContact O-CG 3.27Å; A254-Q258 WeakPolarHBondContact O-CG 3.41Å; A254-Q258 PolarHBondContact O-N 3.26Å; V255-Q258 PolarHBondContact O-N 3.35Å; V256-Q258 VanDerWaalsContact C-N 3.34Å; V256-Q258 PolarHBondContact O-N 3.11Å; Q258-A261 PolarHBondContact O-N 3.43Å; Q258-K262 WeakPolarHBondContact O-CB 3.29Å; Q258-K262 PolarHBondContact O-N 3.4Å
259	S	97.9	Very high	97.2	Very high	15 Å²	15	31.5 Å²	31.5	11%	0.105	18%	0.18	C	C	.	.	H	α-helix	trans	-64.1	-43.3	176.4	-53.1	0	0	0	0	111.6	V255 V256 M257 K262 K263	V255-S259 PolarHBondContact O-N 3.27Å; V255-S259 PolarHBondContact O-OG 3.29Å; V256-S259 WeakPolarHBondContact O-CB 3.35Å; V256-S259 PolarHBondContact O-N 2.77Å; V256-S259 VanDerWaalsContact O-N 3.14Å; M257-S259 VanDerWaalsContact C-N 3.35Å; S259-K262 PolarHBondContact O-N 2.99Å; S259-K263 PolarHBondContact O-N 3.22Å; S259-K263 VanDerWaalsContact O-N 3.15Å
260	L	98.2	Very high	97.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-47.4	172.7	-67	173.2	0	0	0	111.5	L113 V176 F186 F192 V256 M257 K262 K263 I264 M382	L113-L260 HydrophobicContact CD1-CD2 4.41Å; L113-L260 HydrophobicContact CD2-CD1 4.2Å; L113-L260 HydrophobicContact CD2-CD2 4.36Å; V176-L260 HydrophobicContact CG1-CD2 3.78Å; V176-L260 HydrophobicContact CG1-CG 4.32Å; V176-L260 HydrophobicContact CG2-CD2 4.19Å; F186-L260 HydrophobicContact CB-CD2 3.75Å; F186-L260 HydrophobicContact CD1-CD2 3.33Å; F186-L260 HydrophobicContact CD2-CD2 4.05Å; F186-L260 HydrophobicContact CE1-CD2 3.89Å; F186-L260 HydrophobicContact CG-CD2 3.44Å; F186-L260 VanDerWaalsContact CG-CD2 3.44Å; F186-L260 HydrophobicContact CZ-CD2 4.45Å; F192-L260 HydrophobicContact CZ-CD1 4.43Å; V256-L260 HydrophobicContact CG1-CD1 4.2Å; V256-L260 HydrophobicContact CG1-CG 4.43Å; V256-L260 WeakPolarHBondContact O-CG 3.35Å; V256-L260 PolarHBondContact O-N 3.36Å; M257-L260 PolarHBondContact O-N 2.9Å; M257-L260 HydrophobicContact SD-CD1 4.36Å; L260-K262 VanDerWaalsContact C-N 3.32Å; L260-K262 PolarHBondContact O-N 3.34Å; L260-K263 PolarHBondContact O-N 3.16Å; L260-I264 WeakPolarHBondContact O-CB 3.31Å; L260-I264 WeakPolarHBondContact O-CG1 2.99Å; L260-I264 PolarHBondContact O-N 3.42Å; L260-M382 HydrophobicContact CB-CE 4.3Å
261	A	97.9	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-44.5	179.3	0	0	0	0	0	111.7	M257 Q258 T265 V319 E322 V323 M382	M257-A261 WeakPolarHBondContact O-CB 3.37Å; M257-A261 PolarHBondContact O-N 2.81Å; Q258-A261 PolarHBondContact O-N 3.43Å; A261-T265 VanDerWaalsContact O-CB 3.24Å; A261-T265 WeakPolarHBondContact O-CB 3.44Å; A261-T265 PolarHBondContact O-N 3.24Å; A261-T265 PolarHBondContact O-OG1 3.03Å; A261-V319 HydrophobicContact CB-CB 4.08Å; A261-V319 HydrophobicContact CB-CG1 3.93Å; A261-E322 HydrophobicContact CB-CB 4.5Å; A261-V323 HydrophobicContact CB-CG1 3.84Å; A261-V323 HydrophobicContact CB-CG2 4.44Å; A261-M382 HydrophobicContact CB-CE 3.69Å
262	K	97.4	Very high	97.4	Very high	130 Å²	130	29.9 Å²	29.9	57%	0.565	17%	0.169	S	C	*	.	H	α-helix	trans	-60.4	-47.1	176.9	-178.7	-178.2	174.7	-171.6	0	111.9	Q258 S259 L260 S266	Q258-K262 WeakPolarHBondContact O-CB 3.29Å; Q258-K262 PolarHBondContact O-N 3.4Å; S259-K262 PolarHBondContact O-N 2.99Å; L260-K262 VanDerWaalsContact C-N 3.32Å; L260-K262 PolarHBondContact O-N 3.34Å; K262-S266 VanDerWaalsContact O-CB 3.25Å; K262-S266 WeakPolarHBondContact O-CB 3.35Å; K262-S266 PolarHBondContact O-N 3.01Å; K262-S266 PolarHBondContact O-OG 3.29Å
263	K	97.8	Very high	97.5	Very high	12 Å²	12	28.5 Å²	28.5	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-47.8	179.5	-75	-167.5	-179.4	-74.8	0	112.1	V176 D177 V179 D181 F186 S259 L260 T265 S266 F267	V176-K263 HydrophobicContact CG1-CD 4.21Å; V176-K263 WeakPolarHBondContact O-CE 3.13Å; D177-K263 PolarHBondContact O-NZ 2.92Å; V179-K263 WeakPolarHBondContact O-CE 3.45Å; V179-K263 PolarHBondContact O-NZ 3.42Å; D181-K263 IonicContact OD1-NZ 2.98Å; D181-K263 PolarHBondContact OD1-NZ 3.42Å; F186-K263 HydrophobicContact CE1-CD 4.23Å; F186-K263 HydrophobicContact CE2-CB 4.17Å; F186-K263 HydrophobicContact CZ-CB 3.87Å; F186-K263 HydrophobicContact CZ-CD 3.76Å; F186-K263 HydrophobicContact CZ-CG 4.45Å; S259-K263 PolarHBondContact O-N 3.22Å; S259-K263 VanDerWaalsContact O-N 3.15Å; L260-K263 PolarHBondContact O-N 3.16Å; K263-T265 VanDerWaalsContact C-N 3.34Å; K263-T265 PolarHBondContact O-N 3.02Å; K263-S266 PolarHBondContact O-N 2.89Å; K263-F267 WeakPolarHBondContact O-CD2 3.48Å; K263-F267 PolarHBondContact O-N 2.91Å
264	I	96.9	Very high	97.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.9	-44.3	178.7	-70.5	166.9	0	0	0	110.9	F186 L260 G268 A271 M382 P384	F186-I264 HydrophobicContact CD2-CD1 4.11Å; F186-I264 HydrophobicContact CD2-CG1 3.98Å; F186-I264 HydrophobicContact CE2-CG1 3.91Å; L260-I264 WeakPolarHBondContact O-CB 3.31Å; L260-I264 WeakPolarHBondContact O-CG1 2.99Å; L260-I264 PolarHBondContact O-N 3.42Å; I264-G268 WeakPolarHBondContact O-CA 3.4Å; I264-G268 PolarHBondContact O-N 3.01Å; I264-A271 HydrophobicContact CD1-CB 3.63Å; I264-M382 HydrophobicContact CD1-CB 4.27Å; I264-P384 HydrophobicContact CG2-CB 4.48Å; I264-P384 HydrophobicContact CG2-CG 3.56Å
265	T	96.5	Very high	97.5	Very high	65 Å²	65	28.1 Å²	28.1	40%	0.399	16%	0.155	S	C	.	.	H	α-helix	trans	-69.4	-35	-178.7	-55.1	0	0	0	0	112.2	A261 K263	A261-T265 VanDerWaalsContact O-CB 3.24Å; A261-T265 WeakPolarHBondContact O-CB 3.44Å; A261-T265 PolarHBondContact O-N 3.24Å; A261-T265 PolarHBondContact O-OG1 3.03Å; K263-T265 VanDerWaalsContact C-N 3.34Å; K263-T265 PolarHBondContact O-N 3.02Å
266	S	96.3	Very high	97.4	Very high	73 Å²	73	25.4 Å²	25.4	51%	0.51	14%	0.135	S	C	.	.	H	α-helix	trans	-81.9	-36.1	-176.8	-55.6	0	0	0	0	113.4	K262 K263	K262-S266 VanDerWaalsContact O-CB 3.25Å; K262-S266 WeakPolarHBondContact O-CB 3.35Å; K262-S266 PolarHBondContact O-N 3.01Å; K262-S266 PolarHBondContact O-OG 3.29Å; K263-S266 PolarHBondContact O-N 2.89Å
267	F	96.4	Very high	97.2	Very high	88 Å²	88	25 Å²	25	39%	0.386	14%	0.136	S	C	.	.	H	α-helix	trans	-124.3	-3.8	-169.6	-53.6	-70.5	0	0	0	114.4	D181 G182 F183 K263	D181-F267 HydrophobicContact CB-CD1 4.19Å; D181-F267 HydrophobicContact CB-CD2 3.96Å; D181-F267 HydrophobicContact CB-CE1 3.75Å; D181-F267 HydrophobicContact CB-CE2 3.49Å; D181-F267 VanDerWaalsContact CB-CE2 3.49Å; D181-F267 HydrophobicContact CB-CG 4.3Å; D181-F267 HydrophobicContact CB-CZ 3.38Å; D181-F267 VanDerWaalsContact OD1-CE2 3.29Å; D181-F267 WeakPolarHBondContact OD1-CE2 3.41Å; D181-F267 VanDerWaalsContact OD2-CZ 3.3Å; D181-F267 WeakPolarHBondContact OD2-CZ 3.47Å; G182-F267 WeakPolarHBondContact O-CB 3.49Å; F183-F267 WeakPolarHBondContact CA-O 3.38Å; K263-F267 WeakPolarHBondContact O-CD2 3.48Å; K263-F267 PolarHBondContact O-N 2.91Å
268	G	95.7	Very high	97	Very high	18 Å²	18	26.2 Å²	26.2	19%	0.186	14%	0.142	C	C	.	.			trans	81	175.9	-176.7	0	0	0	0	0	113.7	F183 S184 I264	F183-G268 VanDerWaalsContact CD2-C 3.48Å; S184-G268 PolarHBondContact N-O 3.32Å; I264-G268 WeakPolarHBondContact O-CA 3.4Å; I264-G268 PolarHBondContact O-N 3.01Å
269	G	96.7	Very high	96.8	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108	-154.9	-175.9	0	0	0	0	0	112.2	S184 P384	S184-G269 VanDerWaalsContact O-CA 3.24Å; S184-G269 WeakPolarHBondContact O-CA 3.33Å; G269-P384 VanDerWaalsContact O-CD 3.23Å; G269-P384 WeakPolarHBondContact O-CD 3.22Å
270	A	98	Very high	96.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	162.2	-178.1	0	0	0	0	0	111.6	W94 S184 F185 F186 M382 F383	W94-A270 HydrophobicContact CH2-CB 3.86Å; S184-A270 PolarHBondContact O-N 3.44Å; S184-A270 VanDerWaalsContact O-N 3.09Å; F185-A270 CarbonylContact C-O 3.54Å; F185-A270 WeakPolarHBondContact CA-O 3.27Å; F185-A270 HydrophobicContact CD1-CB 4.11Å; F185-A270 HydrophobicContact CE1-CB 3.77Å; F185-A270 HydrophobicContact CZ-CB 4.4Å; F186-A270 PolarHBondContact N-O 3.25Å; A270-M382 CarbonylContact C-O 3.58Å; A270-M382 VanDerWaalsContact CA-O 3.24Å; A270-M382 WeakPolarHBondContact CA-O 3.47Å; A270-M382 WeakPolarHBondContact CB-O 3.36Å; A270-F383 HydrophobicContact CB-CD1 3.73Å; A270-F383 HydrophobicContact CB-CE1 3.59Å; A270-F383 HydrophobicContact CB-CG 4.39Å; A270-F383 HydrophobicContact CB-CZ 4.13Å
271	A	98.4	Very high	96	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.1	167.3	0	0	0	0	0	110.8	F186 I264 A381 M382	F186-A271 HydrophobicContact CB-CB 3.93Å; F186-A271 CarbonylContact O-C 3.59Å; F186-A271 VanDerWaalsContact O-CA 3.24Å; F186-A271 WeakPolarHBondContact O-CA 3.39Å; I264-A271 HydrophobicContact CD1-CB 3.63Å; A271-A381 CarbonylContact O-C 3.52Å; A271-A381 VanDerWaalsContact O-CA 3.25Å; A271-A381 WeakPolarHBondContact O-CA 3.19Å; A271-M382 HydrophobicContact CB-CB 4.19Å; A271-M382 HydrophobicContact CB-SD 4.12Å; A271-M382 PolarHBondContact N-O 3.04Å; A271-M382 PolarHBondContact O-N 3.18Å
272	L	98.4	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.6	170.8	-163.7	70.3	0	0	0	109.2	L91 W94 F186 I187 A188 V274 F334 V379 A381 F399	L91-L272 HydrophobicContact CD2-CD2 3.78Å; W94-L272 HydrophobicContact CD2-CD1 4.45Å; W94-L272 HydrophobicContact CD2-CD2 4.01Å; W94-L272 HydrophobicContact CE3-CB 4.25Å; W94-L272 HydrophobicContact CE3-CD2 3.92Å; W94-L272 HydrophobicContact CG-CD2 4.43Å; W94-L272 HydrophobicContact CH2-CB 3.89Å; W94-L272 HydrophobicContact CH2-CD1 4.23Å; W94-L272 HydrophobicContact CZ2-CB 4.47Å; W94-L272 HydrophobicContact CZ2-CD1 3.96Å; W94-L272 HydrophobicContact CZ3-CB 3.75Å; W94-L272 HydrophobicContact CZ3-CD2 4.28Å; W94-L272 HydrophobicContact CZ3-CG 4.44Å; F186-L272 PolarHBondContact O-N 2.79Å; I187-L272 WeakPolarHBondContact CA-O 3.38Å; I187-L272 HydrophobicContact CD1-CB 3.84Å; I187-L272 HydrophobicContact CD1-CD2 4.45Å; A188-L272 PolarHBondContact N-O 3.47Å; L272-V274 HydrophobicContact CD2-CG2 4.43Å; L272-V274 HydrophobicContact CG-CG2 4.34Å; L272-F334 HydrophobicContact CD2-CE1 4.37Å; L272-F334 HydrophobicContact CD2-CZ 3.89Å; L272-V379 HydrophobicContact CD1-CG1 3.47Å; L272-V379 VanDerWaalsContact CD1-CG1 3.47Å; L272-V379 HydrophobicContact CD2-CG1 4.35Å; L272-V379 HydrophobicContact CG-CG1 3.95Å; L272-A381 HydrophobicContact CD1-CB 3.93Å; L272-F399 HydrophobicContact CD1-CE2 4Å; L272-F399 HydrophobicContact CD1-CZ 3.9Å
273	V	98.4	Very high	95.1	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.3	177.3	-177.1	0	0	0	0	108.3	A188 F192 M257 F312 V379 F380	A188-V273 HydrophobicContact CB-CG2 4.4Å; A188-V273 CarbonylContact O-C 3.56Å; A188-V273 WeakPolarHBondContact O-CA 3.41Å; F192-V273 HydrophobicContact CD2-CG1 3.46Å; F192-V273 VanDerWaalsContact CD2-CG1 3.46Å; F192-V273 HydrophobicContact CD2-CG2 4.44Å; F192-V273 HydrophobicContact CE2-CB 4.38Å; F192-V273 HydrophobicContact CE2-CG1 3.68Å; F192-V273 HydrophobicContact CE2-CG2 3.77Å; M257-V273 HydrophobicContact SD-CG2 4.41Å; V273-F312 HydrophobicContact CG1-CE1 4.12Å; V273-V379 WeakPolarHBondContact O-CA 3.44Å; V273-F380 HydrophobicContact CB-CB 4.37Å; V273-F380 HydrophobicContact CB-CD1 4.49Å; V273-F380 HydrophobicContact CG2-CD1 4.45Å; V273-F380 PolarHBondContact N-O 3.13Å; V273-F380 PolarHBondContact O-N 2.89Å
274	V	97.9	Very high	94.8	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.2	178.4	-175.2	0	0	0	0	108.5	L91 A188 H189 E190 L272 F377 K378 V379	L91-V274 HydrophobicContact CD2-CG2 4.49Å; A188-V274 PolarHBondContact O-N 3.09Å; H189-V274 CarbonylContact C-O 3.51Å; H189-V274 VanDerWaalsContact CA-O 3.3Å; H189-V274 WeakPolarHBondContact CA-O 3.27Å; E190-V274 PolarHBondContact N-O 3.45Å; L272-V274 HydrophobicContact CD2-CG2 4.43Å; L272-V274 HydrophobicContact CG-CG2 4.34Å; V274-F377 HydrophobicContact CG1-CD1 4.35Å; V274-K378 WeakPolarHBondContact CA-O 3.33Å; V274-V379 HydrophobicContact CG1-CG2 4.39Å; V274-V379 HydrophobicContact CG2-CG1 4.15Å; V274-V379 HydrophobicContact CG2-CG2 4.21Å
275	D	97.6	Very high	94.8	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.4	-176.6	-137.5	-41.7	0	0	0	110.9	F191 F192 D193 V310 F312 F377 K378	F191-D275 PolarHBondContact N-OD2 3.01Å; F191-D275 VanDerWaalsContact N-OD2 3.16Å; F192-D275 PolarHBondContact N-OD2 3.15Å; D193-D275 WeakPolarHBondContact CB-OD1 3.31Å; D193-D275 PolarHBondContact N-OD2 3.04Å; D275-V310 HydrophobicContact CB-CB 4.31Å; D275-V310 HydrophobicContact CB-CG2 3.69Å; D275-V310 VanDerWaalsContact CG-CG2 3.49Å; D275-F312 HydrophobicContact CB-CZ 3.97Å; D275-F377 WeakPolarHBondContact O-CA 3.31Å; D275-K378 PolarHBondContact N-O 2.76Å; D275-K378 VanDerWaalsContact N-O 3.11Å; D275-K378 PolarHBondContact O-N 3.5Å
276	Y	95	Very high	94.8	Very high	26 Å²	26	27.5 Å²	27.5	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	141.7	171.4	60.1	-83.9	0	0	0	110.8	D193 T307 D309 V310 R376 F377	D193-Y276 HydrophobicContact CB-CE1 3.84Å; D193-Y276 HydrophobicContact CB-CE2 4.28Å; D193-Y276 WeakPolarHBondContact OD2-CE1 3.3Å; D193-Y276 PolarHBondContact OD2-OH 3.09Å; Y276-T307 WeakPolarHBondContact OH-CB 3.43Å; Y276-T307 WeakPolarHBondContact OH-CG2 3.46Å; Y276-T307 PolarHBondContact OH-OG1 3.19Å; Y276-D309 VanDerWaalsContact CD2-OD1 3.24Å; Y276-D309 WeakPolarHBondContact CD2-OD1 3.33Å; Y276-V310 PolarHBondContact O-N 3.5Å; Y276-R376 WeakPolarHBondContact CA-O 3.48Å; Y276-F377 HydrophobicContact CD1-CE1 4.03Å; Y276-F377 AromaticContact CD1-CE2 3.89Å; Y276-F377 HydrophobicContact CD1-CE2 3.89Å; Y276-F377 AromaticContact CD1-CZ 3.51Å; Y276-F377 HydrophobicContact CD1-CZ 3.51Å; Y276-F377 HydrophobicContact CE1-CZ 4.37Å; Y276-F377 HydrophobicContact CG-CE2 4.22Å; Y276-F377 HydrophobicContact CG-CZ 4.27Å
277	G	94.9	Very high	94.7	Very high	14 Å²	14	26.6 Å²	26.6	14%	0.144	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.2	-153.4	176.7	0	0	0	0	0	114.6	V310 R376	G277-V310 CarbonylContact C-O 3.56Å; G277-V310 WeakPolarHBondContact CA-O 2.98Å; G277-R376 PolarHBondContact N-O 2.76Å
278	Q	93.1	Very high	94.6	Very high	25 Å²	25	22.4 Å²	22.4	12%	0.117	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	172.2	-164.8	61.7	81.4	13.4	0	0	111.1	V310 D311 F312	Q278-V310 PolarHBondContact N-O 2.95Å; Q278-V310 VanDerWaalsContact O-O 3.05Å; Q278-D311 PolarHBondContact NE2-OD2 3.21Å; Q278-F312 WeakPolarHBondContact O-CD2 3.19Å; Q278-F312 PolarHBondContact O-N 3.43Å
279	D	94.1	Very high	94.3	Very high	30 Å²	30	23.8 Å²	23.8	16%	0.16	14%	0.135	C	C	.	.	S	Bend	trans	-131.7	67	-175.5	-167.1	25.6	0	0	0	110.5	N313 R316 P328	D279-N313 WeakPolarHBondContact OD1-CA 3.43Å; D279-N313 VanDerWaalsContact OD1-CB 3.32Å; D279-N313 WeakPolarHBondContact OD1-CB 3.48Å; D279-N313 PolarHBondContact OD1-N 3.46Å; D279-N313 VanDerWaalsContact OD1-N 3.13Å; D279-R316 IonicContact OD1-CZ 3.01Å; D279-R316 IonicContact OD1-NH1 2.72Å; D279-R316 PolarHBondContact OD1-NH1 2.98Å; D279-R316 IonicContact OD1-NH2 4Å; D279-R316 PolarHBondContact OD1-NH2 2.59Å; D279-R316 IonicContact OD2-NH1 3.75Å; D279-R316 IonicContact OD2-NH2 3.41Å; D279-R316 PolarHBondContact OD2-NH2 2.8Å; D279-P328 HydrophobicContact CB-CG 3.94Å; D279-P328 VanDerWaalsContact OD2-CD 3.31Å; D279-P328 WeakPolarHBondContact OD2-CD 3.37Å
280	G	91.2	Very high	93.8	Very high	15 Å²	15	25.3 Å²	25.3	16%	0.155	15%	0.145	C	C	.	.	S	Bend	trans	86.7	15.3	178.7	0	0	0	0	0	117.5	D311	G280-D311 PolarHBondContact N-OD1 3.48Å
281	N	86.9	Confident	93.1	Very high	121 Å²	121	28 Å²	28	65%	0.647	16%	0.164	S	C	*	.			trans	-87.6	-17.2	-179.8	-58.4	-42.8	0	0	0	113.9
282	G	85.4	Confident	92.1	Very high	16 Å²	16	32.5 Å²	32.5	17%	0.165	19%	0.185	C	C	.	.			trans	68.9	-163.4	-173.5	0	0	0	0	0	113.7	W247	W247-G282 VanDerWaalsContact CE3-CA 3.4Å
283	G	91.2	Very high	91.6	Very high	25 Å²	25	39.7 Å²	39.7	26%	0.258	22%	0.216	S	C	.	.			trans	128.9	171.5	177.4	0	0	0	0	0	114.8	D246	D246-G283 PolarHBondContact O-N 2.85Å
284	D	93.1	Very high	91.2	Very high	95 Å²	95	45.9 Å²	45.9	51%	0.508	25%	0.245	S	C	.	.			trans	-96.8	103.4	169.8	-175.8	-15.1	0	0	0	108.5	K199 D246	K199-D284 IonicContact NZ-OD1 2.65Å; K199-D284 PolarHBondContact NZ-OD1 2.95Å; K199-D284 IonicContact NZ-OD2 3.31Å; K199-D284 PolarHBondContact NZ-OD2 2.83Å; D246-D284 HydrophobicContact CB-CB 4.17Å
285	T	95.3	Very high	91	Very high	16 Å²	16	48 Å²	48	10%	0.098	26%	0.258	C	S	.	.			trans	-125.5	-9	-169.6	80.6	0	0	0	0	114	E248 R287 D309	E248-T285 PolarHBondContact OE1-N 3.1Å; E248-T285 WeakPolarHBondContact OE2-CB 3.21Å; E248-T285 PolarHBondContact OE2-N 2.95Å; E248-T285 PolarHBondContact OE2-OG1 3.48Å; T285-R287 PolarHBondContact O-N 2.93Å; T285-R287 PolarHBondContact O-NE 3.08Å; T285-R287 PolarHBondContact O-NH2 3.41Å; T285-D309 HydrophobicContact CG2-CB 3.85Å; T285-D309 WeakPolarHBondContact OG1-CB 3.29Å; T285-D309 PolarHBondContact OG1-N 3.42Å
286	L	96.3	Very high	90.8	Very high	12 Å²	12	52.4 Å²	52.4	6%	0.063	28%	0.281	C	S	.	.			trans	-55.3	122.5	172.8	-177.5	71.7	0	0	0	111.1	V48 M52 V197 F222 E248 P297 T307	V48-L286 HydrophobicContact CG1-CD2 3.75Å; M52-L286 HydrophobicContact CE-CD1 4.02Å; M52-L286 HydrophobicContact CG-CD1 4.21Å; M52-L286 HydrophobicContact SD-CD1 3.69Å; V197-L286 HydrophobicContact CG2-CD1 4.49Å; F222-L286 HydrophobicContact CE1-CD2 4.39Å; F222-L286 HydrophobicContact CZ-CD2 3.96Å; E248-L286 PolarHBondContact OE1-N 2.99Å; L286-P297 HydrophobicContact CD2-CB 4.16Å; L286-P297 HydrophobicContact CG-CB 4.37Å; L286-P297 HydrophobicContact CG-CG 4.44Å; L286-T307 CarbonylContact C-O 3.56Å; L286-T307 WeakPolarHBondContact CA-O 3.11Å
287	R	95	Very high	90.8	Very high	53 Å²	53	52.2 Å²	52.2	20%	0.2	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.3	179.5	-75.7	166.7	-87.1	175.3	-9.7	110.2	T285 Y289 L306 T307 D309	T285-R287 PolarHBondContact O-N 2.93Å; T285-R287 PolarHBondContact O-NE 3.08Å; T285-R287 PolarHBondContact O-NH2 3.41Å; R287-Y289 HydrophobicContact CB-CD2 4.31Å; R287-Y289 HydrophobicContact CB-CE2 3.67Å; R287-L306 WeakPolarHBondContact O-CA 3.45Å; R287-T307 PolarHBondContact N-O 3.17Å; R287-T307 PolarHBondContact O-N 3.26Å; R287-D309 IonicContact CZ-OD1 2.76Å; R287-D309 VanDerWaalsContact NH2-CG 3.33Å; R287-D309 IonicContact NH2-OD1 2.85Å; R287-D309 PolarHBondContact NH2-OD1 3.4Å; R287-D309 IonicContact NH2-OD2 2.67Å
288	A	93.5	Very high	90.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.2	163.9	0	0	0	0	0	111.3	Q294 V295 P297 C304 D305 L306	A288-Q294 CarbonylContact O-C 3.3Å; A288-Q294 WeakPolarHBondContact O-CA 3.11Å; A288-V295 HydrophobicContact CB-CG2 3.74Å; A288-V295 PolarHBondContact O-N 3.2Å; A288-P297 HydrophobicContact CB-CB 4.38Å; A288-P297 HydrophobicContact CB-CG 4.47Å; A288-C304 HydrophobicContact CB-CB 4.13Å; A288-D305 CarbonylContact C-O 3.58Å; A288-D305 WeakPolarHBondContact CA-O 3.35Å; A288-L306 HydrophobicContact CB-CD2 3.77Å
289	Y	90.3	Very high	90.7	Very high	48 Å²	48	52.7 Å²	52.7	19%	0.188	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.8	174.4	-61.4	-101.2	0	0	0	111.3	F77 R287 K293 Q294 C304 D305	F77-Y289 HydrophobicContact CD1-CG 4.34Å; F77-Y289 AromaticContact CE1-CD1 3.54Å; F77-Y289 HydrophobicContact CE1-CD1 3.54Å; F77-Y289 AromaticContact CE1-CD2 3.44Å; F77-Y289 HydrophobicContact CE1-CD2 3.44Å; F77-Y289 VanDerWaalsContact CE1-CD2 3.44Å; F77-Y289 HydrophobicContact CE1-CE1 4.2Å; F77-Y289 HydrophobicContact CE1-CE2 4.09Å; F77-Y289 AromaticContact CE1-CG 3.09Å; F77-Y289 HydrophobicContact CE1-CG 3.09Å; F77-Y289 HydrophobicContact CZ-CD1 4.2Å; F77-Y289 AromaticContact CZ-CD2 3.23Å; F77-Y289 HydrophobicContact CZ-CD2 3.23Å; F77-Y289 HydrophobicContact CZ-CE2 4.06Å; F77-Y289 AromaticContact CZ-CG 3.29Å; F77-Y289 HydrophobicContact CZ-CG 3.29Å; R287-Y289 HydrophobicContact CB-CD2 4.31Å; R287-Y289 HydrophobicContact CB-CE2 3.67Å; Y289-K293 CarbonylContact C-O 3.6Å; Y289-K293 VanDerWaalsContact CA-O 3.23Å; Y289-K293 WeakPolarHBondContact CA-O 3.41Å; Y289-Q294 HydrophobicContact CD1-CB 4.05Å; Y289-Q294 HydrophobicContact CE1-CB 3.92Å; Y289-Q294 HydrophobicContact CE1-CG 4.3Å; Y289-C304 WeakPolarHBondContact O-CA 3.43Å; Y289-C304 WeakPolarHBondContact O-CB 3.4Å; Y289-D305 PolarHBondContact N-O 2.83Å; Y289-D305 PolarHBondContact O-N 3.26Å
290	S	86.1	Confident	90.4	Very high	32 Å²	32	54.7 Å²	54.7	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	132.5	172.4	-170.9	0	0	0	0	108.6	H292 K293	S290-H292 PolarHBondContact O-N 3.18Å; S290-K293 PolarHBondContact N-O 3.35Å; S290-K293 PolarHBondContact O-N 3.11Å
291	S	82.6	Confident	90.5	Very high	57 Å²	57	54.1 Å²	54.1	40%	0.399	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	49.9	-179.8	-56.3	0	0	0	0	113.1	D76 K293	D76-S291 PolarHBondContact OD1-N 2.83Å; S291-K293 PolarHBondContact O-N 2.83Å
292	H	78.1	Confident	90.6	Very high	96 Å²	96	48.4 Å²	48.4	44%	0.444	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	17.6	-178.2	-53.8	-79.9	0	0	0	115.3	G75 D76 S290	G75-H292 PolarHBondContact O-CE1 3.43Å; G75-H292 PolarHBondContact O-NE2 2.91Å; D76-H292 WeakPolarHBondContact O-CA 3.48Å; D76-H292 PolarHBondContact O-N 3.24Å; D76-H292 VanDerWaalsContact O-N 3.15Å; D76-H292 PolarHBondContact O-ND1 2.82Å; S290-H292 PolarHBondContact O-N 3.18Å
293	K	87	Confident	90.7	Very high	151 Å²	151	49 Å²	49	66%	0.657	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.6	176.7	-65.2	179.9	-175.1	172	0	110.3	Y289 S290 S291 V295	Y289-K293 CarbonylContact C-O 3.6Å; Y289-K293 VanDerWaalsContact CA-O 3.23Å; Y289-K293 WeakPolarHBondContact CA-O 3.41Å; S290-K293 PolarHBondContact N-O 3.35Å; S290-K293 PolarHBondContact O-N 3.11Å; S291-K293 PolarHBondContact O-N 2.83Å; K293-V295 PolarHBondContact O-N 3.31Å
294	Q	90.6	Very high	90.6	Very high	130 Å²	130	48 Å²	48	61%	0.607	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	130	168.6	-170.2	178	-12.4	0	0	109	A288 Y289	A288-Q294 CarbonylContact O-C 3.3Å; A288-Q294 WeakPolarHBondContact O-CA 3.11Å; Y289-Q294 HydrophobicContact CD1-CB 4.05Å; Y289-Q294 HydrophobicContact CE1-CB 3.92Å; Y289-Q294 HydrophobicContact CE1-CG 4.3Å
295	V	93	Very high	90.5	Very high	45 Å²	45	43.9 Å²	43.9	27%	0.273	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	173.3	179.6	-62	0	0	0	0	109.8	A288 K293 C304	A288-V295 HydrophobicContact CB-CG2 3.74Å; A288-V295 PolarHBondContact O-N 3.2Å; K293-V295 PolarHBondContact O-N 3.31Å; V295-C304 HydrophobicContact CG2-CB 4.18Å
296	D	94	Very high	90.5	Very high	94 Å²	94	43.2 Å²	43.2	50%	0.503	22%	0.221	S	C	.	.			trans	-64.1	128.2	173.9	-173.6	-34.7	0	0	0	109.9	L298 S299	D296-L298 PolarHBondContact O-N 2.96Å; D296-L298 VanDerWaalsContact O-N 3.08Å; D296-L298 PolarHBondContact OD1-N 3.4Å; D296-S299 WeakPolarHBondContact O-CB 3.29Å; D296-S299 PolarHBondContact O-N 2.86Å; D296-S299 PolarHBondContact O-OG 3.1Å
297	P	94.8	Very high	90.5	Very high	22 Å²	22	42.7 Å²	42.7	14%	0.143	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-28	175	-28.8	36.5	0	0	0	116	Y51 F222 L286 A288 L306	Y51-P297 WeakPolarHBondContact CE1-O 3.46Å; Y51-P297 PolarHBondContact OH-O 3.15Å; F222-P297 HydrophobicContact CZ-CB 4.17Å; L286-P297 HydrophobicContact CD2-CB 4.16Å; L286-P297 HydrophobicContact CG-CB 4.37Å; L286-P297 HydrophobicContact CG-CG 4.44Å; A288-P297 HydrophobicContact CB-CB 4.38Å; A288-P297 HydrophobicContact CB-CG 4.47Å; P297-L306 HydrophobicContact CB-CD2 3.9Å; P297-L306 WeakPolarHBondContact O-CD2 3.43Å
298	L	95.3	Very high	90.5	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.068	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-5.6	-179.2	-60.5	-173.8	0	0	0	113.3	Y51 V212 L220 R221 F222 D296	Y51-L298 HydrophobicContact CD1-CD2 4.11Å; Y51-L298 HydrophobicContact CE1-CD2 3.71Å; Y51-L298 HydrophobicContact CE2-CD2 4.26Å; Y51-L298 WeakPolarHBondContact OH-CA 3.31Å; V212-L298 HydrophobicContact CG1-CD2 3.88Å; V212-L298 HydrophobicContact CG2-CD2 3.97Å; L220-L298 HydrophobicContact CB-CB 4.07Å; L220-L298 HydrophobicContact CB-CD1 4.2Å; L220-L298 HydrophobicContact CB-CG 4.5Å; R221-L298 VanDerWaalsContact CA-CD1 3.5Å; F222-L298 HydrophobicContact CD1-CD1 4.12Å; F222-L298 HydrophobicContact CD1-CD2 4.49Å; F222-L298 HydrophobicContact CD2-CD1 3.78Å; F222-L298 HydrophobicContact CD2-CG 4.28Å; F222-L298 HydrophobicContact CE1-CD1 4.15Å; F222-L298 HydrophobicContact CE1-CD2 3.82Å; F222-L298 HydrophobicContact CE1-CG 4.16Å; F222-L298 HydrophobicContact CE2-CD1 3.82Å; F222-L298 HydrophobicContact CE2-CD2 4.31Å; F222-L298 HydrophobicContact CE2-CG 3.78Å; F222-L298 HydrophobicContact CG-CD1 3.94Å; F222-L298 HydrophobicContact CZ-CD1 4.01Å; F222-L298 HydrophobicContact CZ-CD2 3.73Å; F222-L298 HydrophobicContact CZ-CG 3.72Å; D296-L298 PolarHBondContact O-N 2.96Å; D296-L298 VanDerWaalsContact O-N 3.08Å; D296-L298 PolarHBondContact OD1-N 3.4Å
299	S	91	Very high	90.7	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	22%	0.222	S	C	.	.	S	Bend	trans	-77.4	137.3	178.2	70.1	0	0	0	0	111.8	D296 C304	D296-S299 WeakPolarHBondContact O-CB 3.29Å; D296-S299 PolarHBondContact O-N 2.86Å; D296-S299 PolarHBondContact O-OG 3.1Å; S299-C304 PolarHBondContact O-SG 2.69Å
300	N	88.5	Confident	91	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	22%	0.215	S	C	.	.	S	Bend	trans	44	58.2	173.4	-57.8	-51.8	0	0	0	114.8	G302 F303	N300-G302 PolarHBondContact O-N 2.63Å; N300-F303 HydrophobicContact CB-CB 4.12Å; N300-F303 WeakPolarHBondContact O-CB 3.33Å; N300-F303 PolarHBondContact O-N 2.67Å
301	P	91.8	Very high	91.5	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.013	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	134.7	-177.8	22.8	-34.2	0	0	0	111.5	S30 L32 L33 L36 Y51 L220	S30-P301 PolarHBondContact OG-O 3.13Å; L32-P301 HydrophobicContact CD2-CB 4.27Å; L32-P301 HydrophobicContact CG-CB 4.49Å; L33-P301 HydrophobicContact CB-CG 3.82Å; L33-P301 HydrophobicContact CD1-CG 4.05Å; L36-P301 HydrophobicContact CD1-CB 3.75Å; L36-P301 HydrophobicContact CD1-CG 3.89Å; Y51-P301 HydrophobicContact CE2-CB 3.96Å; L220-P301 HydrophobicContact CD1-CG 4.38Å
302	G	89.6	Confident	92.2	Very high	2 Å²	2	37 Å²	37	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	2.6	-174.9	0	0	0	0	0	115.1	A55 R66 N300	A55-G302 WeakPolarHBondContact O-CA 3.48Å; R66-G302 PolarHBondContact NH1-O 2.75Å; N300-G302 PolarHBondContact O-N 2.63Å
303	F	88.2	Confident	93	Very high	27 Å²	27	34.4 Å²	34.4	12%	0.118	18%	0.178	C	C	.	.	S	Bend	trans	-127.7	-3.2	177.4	-64.1	-108.2	0	0	0	113.4	R66 R68 N300	R66-F303 VanDerWaalsContact NH1-CE2 3.25Å; R66-F303 VanDerWaalsContact NH1-CG 3.32Å; R68-F303 VanDerWaalsContact NH2-CE1 3.35Å; N300-F303 HydrophobicContact CB-CB 4.12Å; N300-F303 WeakPolarHBondContact O-CB 3.33Å; N300-F303 PolarHBondContact O-N 2.67Å
304	C	89.3	Confident	93.4	Very high	6 Å²	6	28.6 Å²	28.6	4%	0.041	15%	0.153	C	C	.	.	S	Bend	trans	-121.1	142.4	175.2	-55.3	0	0	0	0	108	A288 Y289 V295 S299	A288-C304 HydrophobicContact CB-CB 4.13Å; Y289-C304 WeakPolarHBondContact O-CA 3.43Å; Y289-C304 WeakPolarHBondContact O-CB 3.4Å; V295-C304 HydrophobicContact CG2-CB 4.18Å; S299-C304 PolarHBondContact O-SG 2.69Å
305	D	91	Very high	93.7	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.037	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.5	172.5	-159	-15.3	0	0	0	109.1	Y63 Y64 F77 A288 Y289	Y63-D305 HydrophobicContact CD1-CB 4.05Å; Y63-D305 HydrophobicContact CE1-CB 3.51Å; Y63-D305 VanDerWaalsContact CE1-OD2 3.27Å; Y63-D305 WeakPolarHBondContact CE1-OD2 3.4Å; Y63-D305 HydrophobicContact CE2-CB 4.25Å; Y64-D305 PolarHBondContact OH-OD1 3.22Å; Y64-D305 PolarHBondContact OH-OD2 2.89Å; F77-D305 HydrophobicContact CD2-CB 4.08Å; F77-D305 WeakPolarHBondContact CD2-OD2 3.49Å; F77-D305 HydrophobicContact CE2-CB 3.28Å; F77-D305 WeakPolarHBondContact CE2-OD2 3.45Å; F77-D305 HydrophobicContact CZ-CB 4Å; A288-D305 CarbonylContact C-O 3.58Å; A288-D305 WeakPolarHBondContact CA-O 3.35Å; Y289-D305 PolarHBondContact N-O 2.83Å; Y289-D305 PolarHBondContact O-N 3.26Å
306	L	94.9	Very high	93.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	-176.1	-72.5	165.7	0	0	0	109	Y51 M52 A55 L56 R287 A288 P297	Y51-L306 HydrophobicContact CD1-CD1 4.22Å; Y51-L306 HydrophobicContact CE1-CD1 3.61Å; Y51-L306 HydrophobicContact CE1-CD2 4.33Å; M52-L306 HydrophobicContact CE-CB 4.42Å; M52-L306 HydrophobicContact CG-CD1 4.32Å; A55-L306 HydrophobicContact CB-CD1 3.4Å; A55-L306 VanDerWaalsContact CB-CD1 3.4Å; L56-L306 HydrophobicContact CD1-CB 4.22Å; L56-L306 HydrophobicContact CD2-CB 3.97Å; L56-L306 HydrophobicContact CG-CB 4.22Å; R287-L306 WeakPolarHBondContact O-CA 3.45Å; A288-L306 HydrophobicContact CB-CD2 3.77Å; P297-L306 HydrophobicContact CB-CD2 3.9Å; P297-L306 WeakPolarHBondContact O-CD2 3.43Å
307	T	95.4	Very high	93.9	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154.3	-177	76.8	0	0	0	0	112.2	D193 Y276 L286 R287	D193-T307 WeakPolarHBondContact O-CA 2.95Å; Y276-T307 WeakPolarHBondContact OH-CB 3.43Å; Y276-T307 WeakPolarHBondContact OH-CG2 3.46Å; Y276-T307 PolarHBondContact OH-OG1 3.19Å; L286-T307 CarbonylContact C-O 3.56Å; L286-T307 WeakPolarHBondContact CA-O 3.11Å; R287-T307 PolarHBondContact N-O 3.17Å; R287-T307 PolarHBondContact O-N 3.26Å
308	A	96.7	Very high	94	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	12%	0.117	C	C	.	.			trans	-136.5	151.8	172.8	0	0	0	0	0	109.9	D193 V197 V310	D193-A308 VanDerWaalsContact CA-O 3.23Å; D193-A308 WeakPolarHBondContact CA-O 3.39Å; D193-A308 VanDerWaalsContact CB-O 3.29Å; D193-A308 WeakPolarHBondContact CB-O 3.4Å; D193-A308 PolarHBondContact O-N 3.18Å; V197-A308 HydrophobicContact CG1-CB 3.78Å; V197-A308 HydrophobicContact CG2-CB 3.98Å; A308-V310 PolarHBondContact O-N 2.86Å
309	D	96.6	Very high	94	Very high	46 Å²	46	22.3 Å²	22.3	25%	0.246	11%	0.114	C	C	.	.			trans	-63.4	134.3	175.3	-80.7	-5.6	0	0	0	110.2	Y276 T285 R287 D311	Y276-D309 VanDerWaalsContact CD2-OD1 3.24Å; Y276-D309 WeakPolarHBondContact CD2-OD1 3.33Å; T285-D309 HydrophobicContact CG2-CB 3.85Å; T285-D309 WeakPolarHBondContact OG1-CB 3.29Å; T285-D309 PolarHBondContact OG1-N 3.42Å; R287-D309 IonicContact CZ-OD1 2.76Å; R287-D309 VanDerWaalsContact NH2-CG 3.33Å; R287-D309 IonicContact NH2-OD1 2.85Å; R287-D309 PolarHBondContact NH2-OD1 3.4Å; R287-D309 IonicContact NH2-OD2 2.67Å; D309-D311 PolarHBondContact O-N 3.35Å
310	V	97.3	Very high	94.1	Very high	7 Å²	7	24 Å²	24	4%	0.042	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.1	175.7	179	0	0	0	0	110.5	F192 D193 D275 Y276 G277 Q278 A308 F312 L315	F192-V310 HydrophobicContact CB-CG1 4.21Å; F192-V310 HydrophobicContact CB-CG2 3.63Å; D193-V310 HydrophobicContact CB-CG2 4.24Å; D275-V310 HydrophobicContact CB-CB 4.31Å; D275-V310 HydrophobicContact CB-CG2 3.69Å; D275-V310 VanDerWaalsContact CG-CG2 3.49Å; Y276-V310 PolarHBondContact O-N 3.5Å; G277-V310 CarbonylContact C-O 3.56Å; G277-V310 WeakPolarHBondContact CA-O 2.98Å; Q278-V310 PolarHBondContact N-O 2.95Å; Q278-V310 VanDerWaalsContact O-O 3.05Å; A308-V310 PolarHBondContact O-N 2.86Å; V310-F312 HydrophobicContact CB-CD2 4.43Å; V310-F312 HydrophobicContact CB-CE2 3.99Å; V310-F312 HydrophobicContact CB-CZ 4.26Å; V310-F312 HydrophobicContact CG1-CD1 4.38Å; V310-F312 HydrophobicContact CG1-CD2 4.22Å; V310-F312 HydrophobicContact CG1-CE1 4.25Å; V310-F312 HydrophobicContact CG1-CE2 4.04Å; V310-F312 HydrophobicContact CG1-CG 4.38Å; V310-F312 HydrophobicContact CG1-CZ 4.06Å; V310-F312 PolarHBondContact O-N 2.83Å; V310-L315 HydrophobicContact CG1-CD1 3.54Å; V310-L315 HydrophobicContact CG1-CG 4.16Å
311	D	96.2	Very high	94.3	Very high	15 Å²	15	26.8 Å²	26.8	8%	0.08	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	93.3	168.1	-169.1	-27	0	0	0	110.6	Q278 G280 D309 N313 Y314 L315	Q278-D311 PolarHBondContact NE2-OD2 3.21Å; G280-D311 PolarHBondContact N-OD1 3.48Å; D309-D311 PolarHBondContact O-N 3.35Å; D311-N313 PolarHBondContact O-N 2.85Å; D311-N313 WeakPolarHBondContact OD1-CA 3.27Å; D311-N313 WeakPolarHBondContact OD1-CB 3.32Å; D311-N313 PolarHBondContact OD1-N 2.92Å; D311-Y314 WeakPolarHBondContact O-CB 3.5Å; D311-Y314 PolarHBondContact O-N 3.1Å; D311-Y314 PolarHBondContact OD1-N 2.97Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å; D311-L315 PolarHBondContact O-N 3.1Å
312	F	96.9	Very high	94.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.2	-25.6	178.6	-72.5	-81.7	0	0	0	113.3	V273 D275 Q278 V310 R316 P328 K378 F380	V273-F312 HydrophobicContact CG1-CE1 4.12Å; D275-F312 HydrophobicContact CB-CZ 3.97Å; Q278-F312 WeakPolarHBondContact O-CD2 3.19Å; Q278-F312 PolarHBondContact O-N 3.43Å; V310-F312 HydrophobicContact CB-CD2 4.43Å; V310-F312 HydrophobicContact CB-CE2 3.99Å; V310-F312 HydrophobicContact CB-CZ 4.26Å; V310-F312 HydrophobicContact CG1-CD1 4.38Å; V310-F312 HydrophobicContact CG1-CD2 4.22Å; V310-F312 HydrophobicContact CG1-CE1 4.25Å; V310-F312 HydrophobicContact CG1-CE2 4.04Å; V310-F312 HydrophobicContact CG1-CG 4.38Å; V310-F312 HydrophobicContact CG1-CZ 4.06Å; V310-F312 PolarHBondContact O-N 2.83Å; F312-R316 WeakPolarHBondContact O-CB 3.24Å; F312-R316 PolarHBondContact O-N 3.34Å; F312-P328 HydrophobicContact CB-CB 4.16Å; F312-P328 HydrophobicContact CB-CG 3.75Å; F312-P328 HydrophobicContact CD1-CB 4.24Å; F312-P328 HydrophobicContact CD2-CB 4.3Å; F312-P328 HydrophobicContact CD2-CG 4.45Å; F312-P328 HydrophobicContact CG-CB 3.97Å; F312-P328 HydrophobicContact CG-CG 4.07Å; F312-K378 HydrophobicContact CD2-CB 4.06Å; F312-K378 HydrophobicContact CD2-CG 4.08Å; F312-K378 HydrophobicContact CE1-CB 4.36Å; F312-K378 HydrophobicContact CE2-CB 3.49Å; F312-K378 VanDerWaalsContact CE2-CB 3.49Å; F312-K378 HydrophobicContact CE2-CG 3.72Å; F312-K378 HydrophobicContact CZ-CB 3.66Å; F312-K378 HydrophobicContact CZ-CG 4.39Å; F312-F380 HydrophobicContact CD1-CB 3.55Å; F312-F380 HydrophobicContact CD1-CD2 4.21Å; F312-F380 HydrophobicContact CD1-CG 4Å; F312-F380 HydrophobicContact CE1-CB 3.69Å
313	N	95.3	Very high	94.8	Very high	41 Å²	41	30.9 Å²	30.9	22%	0.219	15%	0.154	C	C	.	.	H	α-helix	trans	-71.9	-44.1	175.2	177.3	55.5	0	0	0	110.6	D279 D311 R316 Q317	D279-N313 WeakPolarHBondContact OD1-CA 3.43Å; D279-N313 VanDerWaalsContact OD1-CB 3.32Å; D279-N313 WeakPolarHBondContact OD1-CB 3.48Å; D279-N313 PolarHBondContact OD1-N 3.46Å; D279-N313 VanDerWaalsContact OD1-N 3.13Å; D311-N313 PolarHBondContact O-N 2.85Å; D311-N313 WeakPolarHBondContact OD1-CA 3.27Å; D311-N313 WeakPolarHBondContact OD1-CB 3.32Å; D311-N313 PolarHBondContact OD1-N 2.92Å; N313-R316 WeakPolarHBondContact O-CB 3.43Å; N313-R316 PolarHBondContact O-N 2.95Å; N313-R316 PolarHBondContact OD1-NH1 3.23Å; N313-Q317 PolarHBondContact ND2-NE2 3.21Å; N313-Q317 VanDerWaalsContact O-CG 3.31Å; N313-Q317 WeakPolarHBondContact O-CG 3.45Å; N313-Q317 PolarHBondContact O-N 3.42Å
314	Y	95.3	Very high	95.2	Very high	30 Å²	30	31 Å²	31	12%	0.118	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-50.7	172.8	-179	-102.8	0	0	0	110.7	V249 S250 A254 D311 R316 Q317 Q318	V249-Y314 HydrophobicContact CG1-CD1 4.41Å; V249-Y314 HydrophobicContact CG1-CD2 4.06Å; V249-Y314 HydrophobicContact CG1-CE1 3.89Å; V249-Y314 HydrophobicContact CG1-CE2 3.48Å; V249-Y314 VanDerWaalsContact CG1-CE2 3.48Å; V249-Y314 HydrophobicContact CG1-CG 4.48Å; S250-Y314 WeakPolarHBondContact O-CE1 3.39Å; A254-Y314 HydrophobicContact CB-CE1 4Å; D311-Y314 WeakPolarHBondContact O-CB 3.5Å; D311-Y314 PolarHBondContact O-N 3.1Å; D311-Y314 PolarHBondContact OD1-N 2.97Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.94Å; Y314-Q317 PolarHBondContact O-N 3.37Å; Y314-Q317 VanDerWaalsContact O-N 3.1Å; Y314-Q318 HydrophobicContact CD1-CG 4.34Å; Y314-Q318 HydrophobicContact CE1-CG 3.97Å; Y314-Q318 HydrophobicContact CE2-CG 4.37Å; Y314-Q318 WeakPolarHBondContact O-CG 3.25Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 VanDerWaalsContact O-N 3.16Å
315	L	96.9	Very high	95.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-54.7	-43.4	177.5	-62.2	-168.8	0	0	0	112.1	F192 M257 V310 D311 Q318	F192-L315 HydrophobicContact CG-CD1 4.4Å; M257-L315 HydrophobicContact CE-CB 4.14Å; M257-L315 HydrophobicContact CG-CB 4.33Å; M257-L315 HydrophobicContact CG-CD1 4.49Å; M257-L315 HydrophobicContact CG-CD2 3.87Å; M257-L315 HydrophobicContact CG-CG 4.43Å; M257-L315 HydrophobicContact SD-CD1 4.33Å; V310-L315 HydrophobicContact CG1-CD1 3.54Å; V310-L315 HydrophobicContact CG1-CG 4.16Å; D311-L315 WeakPolarHBondContact O-CG 3.44Å; D311-L315 PolarHBondContact O-N 3.1Å; L315-Q318 PolarHBondContact O-N 3.11Å
316	R	96.9	Very high	95.8	Very high	27 Å²	27	31.9 Å²	31.9	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-60.3	-48	176.4	-171.6	-168.7	-61.6	111.4	-1.9	112.1	D279 F312 N313 Y314 Q318 V319 N320 T325 G327 F380	D279-R316 IonicContact OD1-CZ 3.01Å; D279-R316 IonicContact OD1-NH1 2.72Å; D279-R316 PolarHBondContact OD1-NH1 2.98Å; D279-R316 IonicContact OD1-NH2 4Å; D279-R316 PolarHBondContact OD1-NH2 2.59Å; D279-R316 IonicContact OD2-NH1 3.75Å; D279-R316 IonicContact OD2-NH2 3.41Å; D279-R316 PolarHBondContact OD2-NH2 2.8Å; F312-R316 WeakPolarHBondContact O-CB 3.24Å; F312-R316 PolarHBondContact O-N 3.34Å; N313-R316 WeakPolarHBondContact O-CB 3.43Å; N313-R316 PolarHBondContact O-N 2.95Å; N313-R316 PolarHBondContact OD1-NH1 3.23Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.94Å; R316-Q318 PolarHBondContact O-N 3.27Å; R316-V319 PolarHBondContact O-N 2.85Å; R316-N320 WeakPolarHBondContact O-CB 3.37Å; R316-N320 PolarHBondContact O-N 2.81Å; R316-T325 HydrophobicContact CG-CG2 4.24Å; R316-T325 WeakPolarHBondContact CG-OG1 3.21Å; R316-G327 PolarHBondContact NH2-O 3.45Å; R316-F380 HydrophobicContact CB-CE2 3.98Å; R316-F380 HydrophobicContact CB-CZ 4.1Å; R316-F380 HydrophobicContact CG-CE2 4.27Å; R316-F380 HydrophobicContact CG-CZ 4.41Å
317	Q	94.9	Very high	95.7	Very high	84 Å²	84	32.6 Å²	32.6	39%	0.393	17%	0.167	S	C	.	.	H	α-helix	trans	-61.4	-32.8	-178.3	-73	176.9	1.9	0	0	112.5	N313 Y314 V319 N320	N313-Q317 PolarHBondContact ND2-NE2 3.21Å; N313-Q317 VanDerWaalsContact O-CG 3.31Å; N313-Q317 WeakPolarHBondContact O-CG 3.45Å; N313-Q317 PolarHBondContact O-N 3.42Å; Y314-Q317 PolarHBondContact O-N 3.37Å; Y314-Q317 VanDerWaalsContact O-N 3.1Å; Q317-V319 PolarHBondContact O-N 3.23Å; Q317-N320 PolarHBondContact O-OD1 2.94Å
318	Q	95.3	Very high	95.7	Very high	57 Å²	57	33.1 Å²	33.1	27%	0.266	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.5	179.9	-61.5	-51.2	-49.4	0	0	114.2	A254 Y314 L315 R316	A254-Q318 HydrophobicContact CB-CB 4.28Å; A254-Q318 HydrophobicContact CB-CG 3.64Å; Y314-Q318 HydrophobicContact CD1-CG 4.34Å; Y314-Q318 HydrophobicContact CE1-CG 3.97Å; Y314-Q318 HydrophobicContact CE2-CG 4.37Å; Y314-Q318 WeakPolarHBondContact O-CG 3.25Å; Y314-Q318 PolarHBondContact O-N 3.42Å; Y314-Q318 VanDerWaalsContact O-N 3.16Å; L315-Q318 PolarHBondContact O-N 3.11Å; R316-Q318 PolarHBondContact O-N 3.27Å
319	V	96.8	Very high	95.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-3	-171.5	-56.5	0	0	0	0	114.5	M257 A261 R316 Q317 N321 E322 V323 T325 M382	M257-V319 HydrophobicContact CB-CG1 3.8Å; M257-V319 HydrophobicContact CE-CG1 4.41Å; M257-V319 HydrophobicContact CE-CG2 4.21Å; A261-V319 HydrophobicContact CB-CB 4.08Å; A261-V319 HydrophobicContact CB-CG1 3.93Å; R316-V319 PolarHBondContact O-N 2.85Å; Q317-V319 PolarHBondContact O-N 3.23Å; V319-N321 PolarHBondContact O-N 3.34Å; V319-E322 PolarHBondContact O-N 2.72Å; V319-V323 HydrophobicContact CB-CG2 3.7Å; V319-V323 HydrophobicContact CG2-CG2 3.5Å; V319-V323 VanDerWaalsContact O-CG2 3.31Å; V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.44Å; V319-T325 HydrophobicContact CG2-CG2 3.86Å; V319-M382 HydrophobicContact CB-CE 4.33Å; V319-M382 HydrophobicContact CG1-CE 4.29Å; V319-M382 HydrophobicContact CG2-CE 4.14Å
320	N	92.9	Very high	95.7	Very high	70 Å²	70	32.9 Å²	32.9	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.8	-174.8	64.4	3	0	0	0	115	R316 Q317 K385	R316-N320 WeakPolarHBondContact O-CB 3.37Å; R316-N320 PolarHBondContact O-N 2.81Å; Q317-N320 PolarHBondContact O-OD1 2.94Å; N320-K385 PolarHBondContact O-NZ 2.88Å
321	N	93.1	Very high	95.7	Very high	131 Å²	131	32.6 Å²	32.6	70%	0.701	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-31.2	179.1	-72.8	-33.9	0	0	0	111.9	V319 K385	V319-N321 PolarHBondContact O-N 3.34Å; N321-K385 WeakPolarHBondContact O-CD 3.46Å; N321-K385 PolarHBondContact O-NZ 2.81Å
322	E	93.2	Very high	95.7	Very high	88 Å²	88	35.5 Å²	35.5	41%	0.411	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-40.2	-170.4	-64.9	179.6	-128.1	0	0	113	A261 V319 K385	A261-E322 HydrophobicContact CB-CB 4.5Å; V319-E322 PolarHBondContact O-N 2.72Å; E322-K385 WeakPolarHBondContact O-CB 3.34Å
323	V	97	Very high	95.7	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	164	-177.1	-65.5	0	0	0	0	112.3	A261 V319 T325 M382 F383	A261-V323 HydrophobicContact CB-CG1 3.84Å; A261-V323 HydrophobicContact CB-CG2 4.44Å; V319-V323 HydrophobicContact CB-CG2 3.7Å; V319-V323 HydrophobicContact CG2-CG2 3.5Å; V319-V323 VanDerWaalsContact O-CG2 3.31Å; V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.44Å; V323-T325 HydrophobicContact CG2-CG2 3.94Å; V323-M382 HydrophobicContact CB-CE 4.47Å; V323-M382 HydrophobicContact CG1-CE 4.17Å; V323-M382 HydrophobicContact CG2-CB 4.4Å; V323-M382 HydrophobicContact CG2-CE 3.76Å; V323-M382 HydrophobicContact CG2-CG 4.4Å; V323-F383 WeakPolarHBondContact CA-O 3.4Å; V323-F383 VanDerWaalsContact CB-O 3.28Å; V323-F383 WeakPolarHBondContact CB-O 3.2Å
324	Y	97	Very high	95.8	Very high	30 Å²	30	37.4 Å²	37.4	12%	0.118	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124	164.4	-177.3	-110.4	0	0	0	109.1	I326 F383 R388 L391 D392	Y324-I326 HydrophobicContact CD1-CD1 3.97Å; Y324-I326 HydrophobicContact CD1-CG1 3.8Å; Y324-I326 HydrophobicContact CE1-CD1 3.49Å; Y324-I326 VanDerWaalsContact CE1-CD1 3.49Å; Y324-I326 HydrophobicContact CE1-CG1 3.38Å; Y324-F383 PolarHBondContact N-O 2.95Å; Y324-F383 PolarHBondContact O-N 2.83Å; Y324-R388 HydrophobicContact CD2-CB 3.9Å; Y324-R388 HydrophobicContact CD2-CG 3.65Å; Y324-R388 HydrophobicContact CE2-CB 4.32Å; Y324-R388 HydrophobicContact CE2-CG 3.63Å; Y324-R388 HydrophobicContact CG-CB 4.06Å; Y324-R388 HydrophobicContact CG-CG 4.27Å; Y324-L391 HydrophobicContact CD1-CB 4.14Å; Y324-L391 HydrophobicContact CD1-CD1 3.75Å; Y324-L391 HydrophobicContact CE1-CB 3.75Å; Y324-L391 HydrophobicContact CE1-CD1 4.2Å; Y324-D392 VanDerWaalsContact CZ-OD1 3.31Å; Y324-D392 PolarHBondContact OH-OD1 2.82Å
325	T	96.9	Very high	95.9	Very high	24 Å²	24	36 Å²	36	15%	0.147	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.2	-176.1	56.2	0	0	0	0	110.3	R316 V319 V323 F380 A381 M382	R316-T325 HydrophobicContact CG-CG2 4.24Å; R316-T325 WeakPolarHBondContact CG-OG1 3.21Å; V319-T325 HydrophobicContact CG2-CG2 3.86Å; V323-T325 HydrophobicContact CG2-CG2 3.94Å; T325-F380 VanDerWaalsContact CB-CZ 3.49Å; T325-F380 HydrophobicContact CG2-CE1 4.11Å; T325-F380 HydrophobicContact CG2-CE2 4.31Å; T325-F380 HydrophobicContact CG2-CZ 3.46Å; T325-F380 VanDerWaalsContact CG2-CZ 3.46Å; T325-A381 CarbonylContact C-O 3.58Å; T325-A381 VanDerWaalsContact CA-O 3.32Å; T325-A381 WeakPolarHBondContact CA-O 3.37Å; T325-M382 HydrophobicContact CG2-CG 4.38Å
326	I	95.7	Very high	95.9	Very high	7 Å²	7	38 Å²	38	4%	0.036	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	134.8	178.7	-53.4	176.8	0	0	0	109.1	Y324 A381 F383 L391 P396 F399	Y324-I326 HydrophobicContact CD1-CD1 3.97Å; Y324-I326 HydrophobicContact CD1-CG1 3.8Å; Y324-I326 HydrophobicContact CE1-CD1 3.49Å; Y324-I326 VanDerWaalsContact CE1-CD1 3.49Å; Y324-I326 HydrophobicContact CE1-CG1 3.38Å; I326-A381 PolarHBondContact N-O 2.7Å; I326-A381 PolarHBondContact O-N 2.62Å; I326-F383 HydrophobicContact CD1-CD2 4.23Å; I326-F383 HydrophobicContact CD1-CE2 4.26Å; I326-L391 HydrophobicContact CD1-CB 4.21Å; I326-L391 HydrophobicContact CD1-CD1 4.29Å; I326-P396 HydrophobicContact CD1-CG 3.62Å; I326-F399 HydrophobicContact CB-CD1 4.37Å; I326-F399 HydrophobicContact CG2-CB 4.02Å; I326-F399 HydrophobicContact CG2-CD1 3.61Å; I326-F399 HydrophobicContact CG2-CE1 4.28Å; I326-F399 HydrophobicContact CG2-CG 3.95Å
327	G	93.5	Very high	95.9	Very high	17 Å²	17	40.1 Å²	40.1	18%	0.175	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.6	-165.7	-173.8	0	0	0	0	0	113.5	R316	R316-G327 PolarHBondContact NH2-O 3.45Å
328	P	95.8	Very high	95.9	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.078	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-69.9	146	6	29.2	-33.3	0	0	0	112.5	D279 F312 K378 V379	D279-P328 HydrophobicContact CB-CG 3.94Å; D279-P328 VanDerWaalsContact OD2-CD 3.31Å; D279-P328 WeakPolarHBondContact OD2-CD 3.37Å; F312-P328 HydrophobicContact CB-CB 4.16Å; F312-P328 HydrophobicContact CB-CG 3.75Å; F312-P328 HydrophobicContact CD1-CB 4.24Å; F312-P328 HydrophobicContact CD2-CB 4.3Å; F312-P328 HydrophobicContact CD2-CG 4.45Å; F312-P328 HydrophobicContact CG-CB 3.97Å; F312-P328 HydrophobicContact CG-CG 4.07Å; P328-K378 HydrophobicContact CB-CB 3.75Å; P328-K378 HydrophobicContact CB-CG 4.17Å; P328-V379 CarbonylContact C-O 3.6Å; P328-V379 VanDerWaalsContact CA-O 3.3Å; P328-V379 WeakPolarHBondContact CA-O 3.36Å
329	I	96.1	Very high	96	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.128	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	161.9	162.7	62.4	168.9	0	0	0	109.3	F334 K378 V379 G398 F399	I329-F334 HydrophobicContact CD1-CB 3.7Å; I329-F334 HydrophobicContact CD1-CD2 4.18Å; I329-F334 HydrophobicContact CD1-CG 4.45Å; I329-F334 HydrophobicContact CG1-CB 4.18Å; I329-K378 CarbonylContact O-C 3.54Å; I329-K378 WeakPolarHBondContact O-CA 3.09Å; I329-V379 HydrophobicContact CG1-CB 4.23Å; I329-V379 PolarHBondContact N-O 2.87Å; I329-V379 PolarHBondContact O-N 3.26Å; I329-G398 WeakPolarHBondContact CD1-O 3.49Å; I329-F399 HydrophobicContact CD1-CD1 3.69Å; I329-F399 HydrophobicContact CD1-CE1 4.07Å; I329-F399 HydrophobicContact CD1-CG 4.08Å; I329-F399 HydrophobicContact CG1-CD1 3.89Å; I329-F399 HydrophobicContact CG1-CE1 3.89Å; I329-F399 HydrophobicContact CG2-CD1 4.21Å
330	S	96.8	Very high	95.9	Very high	18 Å²	18	35.1 Å²	35.1	13%	0.126	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	144.9	175.8	69.9	0	0	0	0	111.2	R332 N333 F334 G374	S330-R332 PolarHBondContact O-N 3.43Å; S330-N333 PolarHBondContact O-N 3.01Å; S330-N333 WeakPolarHBondContact OG-CB 3.28Å; S330-N333 PolarHBondContact OG-N 3.45Å; S330-N333 VanDerWaalsContact OG-N 3.16Å; S330-N333 PolarHBondContact OG-ND2 3.38Å; S330-N333 PolarHBondContact OG-OD1 3.28Å; S330-F334 PolarHBondContact O-N 3.27Å; S330-G374 WeakPolarHBondContact CB-O 3.43Å
331	Q	96.7	Very high	96.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-54	-40.1	173.1	173.6	173.3	-71.2	0	0	111.3	N333 F334 L335 L367 G374 F377 V379	Q331-N333 PolarHBondContact O-N 2.88Å; Q331-F334 PolarHBondContact O-N 3.14Å; Q331-L335 HydrophobicContact CG-CD1 3.48Å; Q331-L335 VanDerWaalsContact CG-CD1 3.48Å; Q331-L335 HydrophobicContact CG-CG 3.97Å; Q331-L335 WeakPolarHBondContact O-CB 3.4Å; Q331-L335 VanDerWaalsContact O-CG 3.27Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 2.89Å; Q331-L367 PolarHBondContact NE2-O 3.07Å; Q331-G374 PolarHBondContact N-O 2.96Å; Q331-F377 HydrophobicContact CB-CB 3.6Å; Q331-F377 HydrophobicContact CG-CB 4.3Å; Q331-F377 PolarHBondContact N-O 3.37Å; Q331-V379 HydrophobicContact CB-CG2 4.45Å
332	R	96.6	Very high	96.3	Very high	76 Å²	76	35.1 Å²	35.1	29%	0.287	18%	0.182	S	C	.	.	H	α-helix	trans	-52.1	-54.3	173.4	173.6	-179.8	-177.9	66.8	7.8	111.4	S330 L336 I368 G374	S330-R332 PolarHBondContact O-N 3.43Å; R332-L336 HydrophobicContact CG-CD1 3.79Å; R332-L336 HydrophobicContact CG-CG 4.45Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 WeakPolarHBondContact O-CG 3.39Å; R332-L336 PolarHBondContact O-N 2.75Å; R332-I368 WeakPolarHBondContact CD-O 3.16Å; R332-I368 HydrophobicContact CG-CB 4.37Å; R332-I368 WeakPolarHBondContact CG-O 3.38Å; R332-I368 VanDerWaalsContact NH1-CD1 3.29Å; R332-I368 PolarHBondContact NH1-O 3.15Å; R332-G374 VanDerWaalsContact CB-O 3.25Å; R332-G374 WeakPolarHBondContact CB-O 3.35Å; R332-G374 PolarHBondContact N-O 3Å
333	N	96.7	Very high	96.4	Very high	80 Å²	80	32.9 Å²	32.9	43%	0.428	17%	0.17	S	C	.	.	H	α-helix	trans	-64.3	-46.4	-175.3	-71.6	-0.6	0	0	0	110.2	S330 Q331 L335 L336 N337	S330-N333 PolarHBondContact O-N 3.01Å; S330-N333 WeakPolarHBondContact OG-CB 3.28Å; S330-N333 PolarHBondContact OG-N 3.45Å; S330-N333 VanDerWaalsContact OG-N 3.16Å; S330-N333 PolarHBondContact OG-ND2 3.38Å; S330-N333 PolarHBondContact OG-OD1 3.28Å; Q331-N333 PolarHBondContact O-N 2.88Å; N333-L335 PolarHBondContact O-N 2.86Å; N333-L336 PolarHBondContact O-N 3.5Å; N333-N337 VanDerWaalsContact O-CB 3.29Å; N333-N337 WeakPolarHBondContact O-CB 3.31Å; N333-N337 PolarHBondContact O-N 2.81Å; N333-N337 PolarHBondContact O-ND2 3.15Å
334	F	97.7	Very high	96.4	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-55.4	-54.2	177.2	178.9	-101.7	0	0	0	112.2	L91 W94 L272 I329 S330 Q331 L336 N337 M338 V379 F399	L91-F334 HydrophobicContact CD2-CE1 3.76Å; L91-F334 HydrophobicContact CD2-CZ 4.39Å; W94-F334 HydrophobicContact CB-CZ 4.19Å; W94-F334 AromaticContact CD1-CE2 3.81Å; W94-F334 AromaticContact CD1-CZ 3.84Å; W94-F334 HydrophobicContact CG-CE2 4.42Å; W94-F334 HydrophobicContact CG-CZ 4.02Å; L272-F334 HydrophobicContact CD2-CE1 4.37Å; L272-F334 HydrophobicContact CD2-CZ 3.89Å; I329-F334 HydrophobicContact CD1-CB 3.7Å; I329-F334 HydrophobicContact CD1-CD2 4.18Å; I329-F334 HydrophobicContact CD1-CG 4.45Å; I329-F334 HydrophobicContact CG1-CB 4.18Å; S330-F334 PolarHBondContact O-N 3.27Å; Q331-F334 PolarHBondContact O-N 3.14Å; F334-L336 PolarHBondContact O-N 3.09Å; F334-N337 PolarHBondContact O-N 3.35Å; F334-M338 HydrophobicContact CD1-CG 4.32Å; F334-M338 HydrophobicContact CD2-CG 4.39Å; F334-M338 HydrophobicContact CE1-CG 3.94Å; F334-M338 HydrophobicContact CE2-CG 4.02Å; F334-M338 HydrophobicContact CE2-SD 4.34Å; F334-M338 HydrophobicContact CZ-CG 3.78Å; F334-M338 HydrophobicContact CZ-SD 4.29Å; F334-M338 WeakPolarHBondContact O-CB 3.41Å; F334-M338 VanDerWaalsContact O-CG 3.3Å; F334-M338 WeakPolarHBondContact O-CG 3.46Å; F334-M338 PolarHBondContact O-N 2.97Å; F334-V379 HydrophobicContact CB-CB 4.08Å; F334-V379 HydrophobicContact CB-CG1 4.47Å; F334-V379 HydrophobicContact CB-CG2 3.64Å; F334-V379 HydrophobicContact CD1-CB 4.48Å; F334-V379 HydrophobicContact CD1-CG1 4.15Å; F334-V379 HydrophobicContact CD1-CG2 3.85Å; F334-V379 HydrophobicContact CD2-CB 4.3Å; F334-V379 HydrophobicContact CD2-CG1 3.81Å; F334-V379 HydrophobicContact CD2-CG2 4.47Å; F334-V379 HydrophobicContact CE1-CG1 4.36Å; F334-V379 HydrophobicContact CE2-CG1 4.04Å; F334-V379 HydrophobicContact CG-CB 4.02Å; F334-V379 HydrophobicContact CG-CG1 3.87Å; F334-V379 HydrophobicContact CG-CG2 3.73Å; F334-V379 HydrophobicContact CZ-CG1 4.3Å; F334-F399 HydrophobicContact CD2-CD2 4.19Å; F334-F399 AromaticContact CD2-CE2 3.86Å; F334-F399 HydrophobicContact CD2-CE2 3.86Å; F334-F399 HydrophobicContact CD2-CZ 4.27Å; F334-F399 HydrophobicContact CE2-CD2 4.14Å; F334-F399 AromaticContact CE2-CE2 3.65Å; F334-F399 HydrophobicContact CE2-CE2 3.65Å; F334-F399 HydrophobicContact CE2-CZ 4.34Å
335	L	97.2	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.1	-35.8	-176.3	-66.1	176.5	0	0	0	112.8	L87 M90 Q331 N333 G339 M340 L367	L87-L335 HydrophobicContact CD1-CD2 3.98Å; M90-L335 HydrophobicContact CB-CD2 3.77Å; M90-L335 HydrophobicContact CG-CD2 3.99Å; Q331-L335 HydrophobicContact CG-CD1 3.48Å; Q331-L335 VanDerWaalsContact CG-CD1 3.48Å; Q331-L335 HydrophobicContact CG-CG 3.97Å; Q331-L335 WeakPolarHBondContact O-CB 3.4Å; Q331-L335 VanDerWaalsContact O-CG 3.27Å; Q331-L335 WeakPolarHBondContact O-CG 3.47Å; Q331-L335 PolarHBondContact O-N 2.89Å; N333-L335 PolarHBondContact O-N 2.86Å; L335-G339 PolarHBondContact O-N 3.47Å; L335-M340 HydrophobicContact CB-CB 4.36Å; L335-M340 HydrophobicContact CB-CE 3.62Å; L335-M340 HydrophobicContact CB-SD 3.97Å; L335-M340 HydrophobicContact CD1-CE 3.75Å; L335-M340 HydrophobicContact CD1-SD 3.96Å; L335-M340 HydrophobicContact CD2-SD 4.27Å; L335-M340 HydrophobicContact CG-CE 4.26Å; L335-M340 HydrophobicContact CG-SD 4.3Å; L335-M340 WeakPolarHBondContact O-CB 3.49Å; L335-M340 PolarHBondContact O-N 2.55Å; L335-M340 VanDerWaalsContact O-N 3.08Å; L335-L367 HydrophobicContact CD1-CB 4.06Å; L335-L367 HydrophobicContact CD1-CD1 4.44Å
336	L	96.7	Very high	96.4	Very high	46 Å²	46	42.9 Å²	42.9	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-68.2	-43.4	175.5	-69.8	177.3	0	0	0	111.6	R332 N333 F334 M338 G339 V341 Y364 I368	R332-L336 HydrophobicContact CG-CD1 3.79Å; R332-L336 HydrophobicContact CG-CG 4.45Å; R332-L336 WeakPolarHBondContact O-CB 3.49Å; R332-L336 WeakPolarHBondContact O-CG 3.39Å; R332-L336 PolarHBondContact O-N 2.75Å; N333-L336 PolarHBondContact O-N 3.5Å; F334-L336 PolarHBondContact O-N 3.09Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.22Å; L336-G339 PolarHBondContact O-N 3.17Å; L336-V341 HydrophobicContact CD2-CG2 3.67Å; L336-Y364 WeakPolarHBondContact CD2-OH 3.5Å; L336-I368 HydrophobicContact CD2-CG2 4.48Å
337	N	96.4	Very high	96.3	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	21%	0.213	S	C	.	.	H	α-helix	trans	-64.1	-36.1	176.6	-72.9	-11.8	0	0	0	111.9	N333 F334 G339 G398 E400	N333-N337 VanDerWaalsContact O-CB 3.29Å; N333-N337 WeakPolarHBondContact O-CB 3.31Å; N333-N337 PolarHBondContact O-N 2.81Å; N333-N337 PolarHBondContact O-ND2 3.15Å; F334-N337 PolarHBondContact O-N 3.35Å; N337-G339 PolarHBondContact O-N 3.49Å; N337-G339 VanDerWaalsContact O-N 3.15Å; N337-G398 WeakPolarHBondContact CB-O 3.48Å; N337-G398 PolarHBondContact ND2-O 3.32Å; N337-E400 PolarHBondContact ND2-O 3.32Å
338	M	96.8	Very high	96.5	Very high	21 Å²	21	44 Å²	44	10%	0.103	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.3	172.1	-72.1	-55.9	-56.3	0	0	114	M90 V93 W94 F334 L336 A397	M90-M338 HydrophobicContact CB-CB 4.42Å; M90-M338 HydrophobicContact CG-CB 4.47Å; M90-M338 HydrophobicContact SD-CB 3.95Å; V93-M338 HydrophobicContact CB-CE 4.12Å; V93-M338 HydrophobicContact CG1-CE 3.73Å; W94-M338 HydrophobicContact CB-CE 3.71Å; W94-M338 HydrophobicContact CB-SD 4.18Å; F334-M338 HydrophobicContact CD1-CG 4.32Å; F334-M338 HydrophobicContact CD2-CG 4.39Å; F334-M338 HydrophobicContact CE1-CG 3.94Å; F334-M338 HydrophobicContact CE2-CG 4.02Å; F334-M338 HydrophobicContact CE2-SD 4.34Å; F334-M338 HydrophobicContact CZ-CG 3.78Å; F334-M338 HydrophobicContact CZ-SD 4.29Å; F334-M338 WeakPolarHBondContact O-CB 3.41Å; F334-M338 VanDerWaalsContact O-CG 3.3Å; F334-M338 WeakPolarHBondContact O-CG 3.46Å; F334-M338 PolarHBondContact O-N 2.97Å; L336-M338 VanDerWaalsContact C-N 3.31Å; L336-M338 PolarHBondContact O-N 3.22Å; M338-A397 HydrophobicContact CE-CB 4.39Å; M338-A397 VanDerWaalsContact SD-C 3.57Å; M338-A397 HydrophobicContact SD-CB 3.71Å
339	G	96	Very high	96.5	Very high	16 Å²	16	51.6 Å²	51.6	17%	0.165	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	25.8	176	0	0	0	0	0	114.4	L335 L336 N337 V341 F342 R343	L335-G339 PolarHBondContact O-N 3.47Å; L336-G339 PolarHBondContact O-N 3.17Å; N337-G339 PolarHBondContact O-N 3.49Å; N337-G339 VanDerWaalsContact O-N 3.15Å; G339-V341 PolarHBondContact O-N 3.36Å; G339-V341 VanDerWaalsContact O-N 3.09Å; G339-F342 PolarHBondContact O-N 3.45Å; G339-R343 PolarHBondContact O-N 3.14Å
340	M	96.2	Very high	96.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.7	-30	-179.6	-172.1	168.3	67.8	0	0	113.4	L86 M90 L335 F342 R343 L344 Y364 L367 I368	L86-M340 HydrophobicContact CB-CG 4.09Å; L86-M340 HydrophobicContact CB-SD 3.75Å; L86-M340 HydrophobicContact CD1-CG 4.32Å; L86-M340 HydrophobicContact CD1-SD 4.36Å; L86-M340 HydrophobicContact CD2-CG 4.16Å; L86-M340 HydrophobicContact CG-CG 4.44Å; M90-M340 HydrophobicContact CG-CB 3.86Å; M90-M340 HydrophobicContact CG-CG 4.01Å; M90-M340 HydrophobicContact CG-SD 4.21Å; M90-M340 VanDerWaalsContact SD-CA 3.53Å; M90-M340 HydrophobicContact SD-CB 3.76Å; M90-M340 HydrophobicContact SD-CG 4.33Å; L335-M340 HydrophobicContact CB-CB 4.36Å; L335-M340 HydrophobicContact CB-CE 3.62Å; L335-M340 HydrophobicContact CB-SD 3.97Å; L335-M340 HydrophobicContact CD1-CE 3.75Å; L335-M340 HydrophobicContact CD1-SD 3.96Å; L335-M340 HydrophobicContact CD2-SD 4.27Å; L335-M340 HydrophobicContact CG-CE 4.26Å; L335-M340 HydrophobicContact CG-SD 4.3Å; L335-M340 WeakPolarHBondContact O-CB 3.49Å; L335-M340 PolarHBondContact O-N 2.55Å; L335-M340 VanDerWaalsContact O-N 3.08Å; M340-F342 PolarHBondContact O-N 2.86Å; M340-R343 PolarHBondContact O-N 3.33Å; M340-R343 VanDerWaalsContact O-N 3.16Å; M340-L344 PolarHBondContact O-N 3.16Å; M340-Y364 HydrophobicContact CB-CE2 4.5Å; M340-Y364 HydrophobicContact CE-CD2 3.57Å; M340-Y364 HydrophobicContact CE-CE2 3.56Å; M340-Y364 HydrophobicContact CG-CD2 4.08Å; M340-Y364 HydrophobicContact CG-CE2 4.11Å; M340-Y364 HydrophobicContact SD-CD2 4.29Å; M340-L367 HydrophobicContact CE-CB 4.41Å; M340-L367 HydrophobicContact SD-CD1 4.19Å; M340-I368 HydrophobicContact CE-CG2 3.1Å
341	V	96.5	Very high	96.3	Very high	51 Å²	51	57.1 Å²	57.1	31%	0.309	27%	0.266	S	S	.	.	H	α-helix	trans	-55	-50.3	175	-174.5	0	0	0	0	111.1	L336 G339 R343 L344 E345 Y364	L336-V341 HydrophobicContact CD2-CG2 3.67Å; G339-V341 PolarHBondContact O-N 3.36Å; G339-V341 VanDerWaalsContact O-N 3.09Å; V341-R343 PolarHBondContact O-N 3.28Å; V341-L344 WeakPolarHBondContact O-CB 3.36Å; V341-L344 PolarHBondContact O-N 2.79Å; V341-E345 WeakPolarHBondContact O-CG 3.21Å; V341-E345 PolarHBondContact O-N 2.83Å; V341-Y364 WeakPolarHBondContact CG2-OH 3.39Å
342	F	96.7	Very high	96.2	Very high	149 Å²	149	66 Å²	66	65%	0.654	30%	0.304	S	S	*	.	H	α-helix	trans	-64.4	-33.6	-179.5	-58.5	-62.9	0	0	0	111.5	G339 M340 E345 R346	G339-F342 PolarHBondContact O-N 3.45Å; M340-F342 PolarHBondContact O-N 2.86Å; F342-E345 PolarHBondContact O-N 3.39Å; F342-R346 PolarHBondContact O-N 3.03Å; F342-R346 VanDerWaalsContact O-N 3.13Å
343	R	96.3	Very high	96.1	Very high	42 Å²	42	65 Å²	65	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-71.3	-41.7	178.1	-169.1	55.4	-179.5	104.7	17.9	112.1	L86 E89 M90 G339 M340 V341 E345 R346 L347	L86-R343 HydrophobicContact CD2-CB 4.13Å; L86-R343 HydrophobicContact CD2-CG 3.93Å; E89-R343 VanDerWaalsContact CD-NH2 3.28Å; E89-R343 IonicContact OE1-CZ 3.12Å; E89-R343 IonicContact OE1-NE 2.58Å; E89-R343 IonicContact OE1-NH2 2.97Å; E89-R343 PolarHBondContact OE1-NH2 2.79Å; E89-R343 WeakPolarHBondContact OE2-CD 3.41Å; E89-R343 WeakPolarHBondContact OE2-CG 3.29Å; E89-R343 IonicContact OE2-CZ 3.36Å; E89-R343 IonicContact OE2-NE 2.79Å; E89-R343 PolarHBondContact OE2-NE 3.01Å; E89-R343 IonicContact OE2-NH2 3.72Å; E89-R343 PolarHBondContact OE2-NH2 3.22Å; M90-R343 HydrophobicContact CE-CB 3.91Å; M90-R343 HydrophobicContact CE-CG 4.11Å; G339-R343 PolarHBondContact O-N 3.14Å; M340-R343 PolarHBondContact O-N 3.33Å; M340-R343 VanDerWaalsContact O-N 3.16Å; V341-R343 PolarHBondContact O-N 3.28Å; R343-E345 VanDerWaalsContact C-N 3.35Å; R343-R346 PolarHBondContact O-N 2.88Å; R343-L347 VanDerWaalsContact NH1-CD2 3.34Å; R343-L347 WeakPolarHBondContact O-CG 3.16Å; R343-L347 PolarHBondContact O-N 3.33Å
344	L	96.7	Very high	96.1	Very high	16 Å²	16	67.4 Å²	67.4	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-55.9	-49.3	171.5	174.1	68.2	0	0	0	110.7	L86 M340 V341 R346 L347 L348 L360 Y364	L86-L344 HydrophobicContact CD1-CB 4.47Å; L86-L344 HydrophobicContact CD1-CD1 4.28Å; M340-L344 PolarHBondContact O-N 3.16Å; V341-L344 WeakPolarHBondContact O-CB 3.36Å; V341-L344 PolarHBondContact O-N 2.79Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 3.04Å; L344-L347 PolarHBondContact O-N 3.22Å; L344-L347 VanDerWaalsContact O-N 3.09Å; L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CD2 4.43Å; L344-L348 HydrophobicContact CD1-CG 3.98Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 3.83Å; L344-L348 HydrophobicContact CG-CG 4.17Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 2.99Å; L344-L360 HydrophobicContact CD1-CB 4.02Å; L344-L360 WeakPolarHBondContact CD1-O 3.33Å; L344-Y364 HydrophobicContact CB-CD2 4.26Å; L344-Y364 HydrophobicContact CD2-CD1 3.69Å; L344-Y364 HydrophobicContact CD2-CD2 3.85Å; L344-Y364 HydrophobicContact CD2-CE1 4.09Å; L344-Y364 HydrophobicContact CD2-CE2 4.26Å; L344-Y364 HydrophobicContact CD2-CG 3.55Å; L344-Y364 HydrophobicContact CG-CG 4.45Å
345	E	96.9	Very high	95.8	Very high	112 Å²	112	72.2 Å²	72.2	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-55.8	-45.5	178.8	-72.5	177.5	170.3	0	0	111.9	V341 F342 R343 L347 L348 H349	V341-E345 WeakPolarHBondContact O-CG 3.21Å; V341-E345 PolarHBondContact O-N 2.83Å; F342-E345 PolarHBondContact O-N 3.39Å; R343-E345 VanDerWaalsContact C-N 3.35Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.16Å; E345-L348 PolarHBondContact O-N 3.33Å; E345-H349 PolarHBondContact O-N 2.95Å
346	R	95.6	Very high	95.6	Very high	138 Å²	138	76.6 Å²	76.6	52%	0.521	36%	0.356	S	S	.	.	H	α-helix	trans	-63.4	-37.9	177.1	-171.5	177.5	-178.1	-171.3	1.8	112.6	F342 R343 L344 R350	F342-R346 PolarHBondContact O-N 3.03Å; F342-R346 VanDerWaalsContact O-N 3.13Å; R343-R346 PolarHBondContact O-N 2.88Å; L344-R346 VanDerWaalsContact C-N 3.31Å; L344-R346 PolarHBondContact O-N 3.04Å; R346-R350 WeakPolarHBondContact O-CG 3.41Å; R346-R350 PolarHBondContact O-N 2.92Å
347	L	95.1	Very high	95.5	Very high	17 Å²	17	78.2 Å²	78.2	9%	0.089	36%	0.359	C	S	.	.	H	α-helix	trans	-68.7	-43.2	175.4	-71.8	172.1	0	0	0	111.5	Q85 L86 R343 L344 E345 H349 R350 A351 L360	Q85-L347 HydrophobicContact CG-CD1 4.23Å; L86-L347 HydrophobicContact CD2-CD1 3.62Å; L86-L347 HydrophobicContact CG-CD1 4.23Å; R343-L347 VanDerWaalsContact NH1-CD2 3.34Å; R343-L347 WeakPolarHBondContact O-CG 3.16Å; R343-L347 PolarHBondContact O-N 3.33Å; L344-L347 PolarHBondContact O-N 3.22Å; L344-L347 VanDerWaalsContact O-N 3.09Å; E345-L347 VanDerWaalsContact C-N 3.34Å; E345-L347 PolarHBondContact O-N 3.16Å; L347-H349 VanDerWaalsContact C-N 3.31Å; L347-H349 PolarHBondContact O-N 2.86Å; L347-R350 CarbonylContact O-C 3.29Å; L347-R350 PolarHBondContact O-N 3.49Å; L347-A351 PolarHBondContact O-N 3.48Å; L347-L360 HydrophobicContact CB-CD1 3.84Å; L347-L360 HydrophobicContact CB-CD2 4.22Å; L347-L360 HydrophobicContact CD1-CD2 3.98Å
348	L	96.4	Very high	95.4	Very high	31 Å²	31	78.1 Å²	78.1	16%	0.162	36%	0.359	C	S	.	.	H	α-helix	trans	-61.5	-37.7	177.5	-71.1	175.5	0	0	0	112.3	L344 E345 R350 A351 R357 L360 R361	L344-L348 HydrophobicContact CD1-CD1 4.06Å; L344-L348 HydrophobicContact CD1-CD2 4.43Å; L344-L348 HydrophobicContact CD1-CG 3.98Å; L344-L348 HydrophobicContact CD2-CD1 4.3Å; L344-L348 HydrophobicContact CG-CD1 3.83Å; L344-L348 HydrophobicContact CG-CG 4.17Å; L344-L348 WeakPolarHBondContact O-CG 3.45Å; L344-L348 PolarHBondContact O-N 2.99Å; E345-L348 PolarHBondContact O-N 3.33Å; L348-R350 VanDerWaalsContact C-N 3.29Å; L348-R350 PolarHBondContact O-N 3.15Å; L348-A351 PolarHBondContact O-N 3.35Å; L348-R357 HydrophobicContact CD2-CB 3.89Å; L348-R357 HydrophobicContact CD2-CG 3.98Å; L348-L360 HydrophobicContact CD2-CB 4Å; L348-L360 HydrophobicContact CD2-CD1 4.16Å; L348-R361 HydrophobicContact CD1-CG 4.33Å; L348-R361 HydrophobicContact CD2-CG 4.18Å
349	H	95.8	Very high	95.1	Very high	172 Å²	172	82.2 Å²	82.2	80%	0.796	38%	0.376	S	S	*	.	H	α-helix	trans	-65.8	-30.6	174.4	-173.5	-73.1	0	0	0	112.7	E345 L347	E345-H349 PolarHBondContact O-N 2.95Å; L347-H349 VanDerWaalsContact C-N 3.31Å; L347-H349 PolarHBondContact O-N 2.86Å
350	R	94.7	Very high	95	Very high	145 Å²	145	82.2 Å²	82.2	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-87.8	-18.6	178.7	-71.4	-179.8	172.8	-172.1	-4.5	113.4	R346 L347 L348 K352	R346-R350 WeakPolarHBondContact O-CG 3.41Å; R346-R350 PolarHBondContact O-N 2.92Å; L347-R350 CarbonylContact O-C 3.29Å; L347-R350 PolarHBondContact O-N 3.49Å; L348-R350 VanDerWaalsContact C-N 3.29Å; L348-R350 PolarHBondContact O-N 3.15Å; R350-K352 PolarHBondContact O-N 3.46Å
351	A	94	Very high	95	Very high	14 Å²	14	87.8 Å²	87.8	12%	0.116	39%	0.393	C	S	.	.			trans	-66.8	123.5	-178.2	0	0	0	0	0	111.6	L347 L348 Q356 R357 L360	L347-A351 PolarHBondContact O-N 3.48Å; L348-A351 PolarHBondContact O-N 3.35Å; A351-Q356 HydrophobicContact CB-CB 4.03Å; A351-R357 HydrophobicContact CB-CG 3.5Å; A351-R357 VanDerWaalsContact CB-CG 3.5Å; A351-R357 PolarHBondContact O-NH1 2.73Å; A351-R357 VanDerWaalsContact O-NH1 3.11Å; A351-L360 HydrophobicContact CB-CD1 4.11Å
352	K	95.2	Very high	94.9	Very high	187 Å²	187	87.5 Å²	87.5	81%	0.813	40%	0.396	S	S	*	.			trans	-81.6	-36.8	-172.5	-63.2	-178.6	-179.5	178.1	0	112	R350	R350-K352 PolarHBondContact O-N 3.46Å
353	T	95.7	Very high	94.7	Very high	56 Å²	56	80.5 Å²	80.5	34%	0.344	37%	0.366	S	S	.	.	S	Bend	trans	-110.4	162.7	-174.4	79.8	0	0	0	0	112.1	E355 Q356 R357	T353-E355 VanDerWaalsContact C-N 3.33Å; T353-E355 WeakPolarHBondContact CB-OE2 3.36Å; T353-E355 PolarHBondContact OG1-OE2 3.32Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.37Å; T353-Q356 PolarHBondContact OG1-N 2.88Å; T353-R357 PolarHBondContact O-N 2.81Å; T353-R357 PolarHBondContact O-NH1 3.28Å
354	K	94.9	Very high	94.6	Very high	130 Å²	130	79.8 Å²	79.8	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-67	-40.3	175.6	-177.8	-177.7	172.5	-174.3	0	110.4	Q356 R357 D358	K354-Q356 VanDerWaalsContact C-N 3.31Å; K354-Q356 PolarHBondContact O-N 2.8Å; K354-R357 PolarHBondContact O-N 2.93Å; K354-R357 VanDerWaalsContact O-N 3.07Å; K354-D358 VanDerWaalsContact CE-OD2 3.24Å; K354-D358 WeakPolarHBondContact CE-OD2 3.32Å; K354-D358 WeakPolarHBondContact CG-OD2 3.35Å; K354-D358 PolarHBondContact O-N 2.94Å
355	E	93	Very high	94.5	Very high	102 Å²	102	82.6 Å²	82.6	48%	0.477	38%	0.378	S	S	.	.	H	α-helix	trans	-58	-44	179.1	-60.9	72.5	-158.5	0	0	111.1	T353 R357 D358 F359	T353-E355 VanDerWaalsContact C-N 3.33Å; T353-E355 WeakPolarHBondContact CB-OE2 3.36Å; T353-E355 PolarHBondContact OG1-OE2 3.32Å; E355-R357 PolarHBondContact O-N 3.13Å; E355-D358 PolarHBondContact O-N 3.13Å; E355-F359 WeakPolarHBondContact O-CB 3.42Å; E355-F359 PolarHBondContact O-N 3.49Å
356	Q	91.4	Very high	94.4	Very high	91 Å²	91	81.4 Å²	81.4	43%	0.425	37%	0.37	S	S	.	.	H	α-helix	trans	-61.6	-42.9	174.8	-74.2	175.2	-18.7	0	0	112.2	A351 T353 K354 L360	A351-Q356 HydrophobicContact CB-CB 4.03Å; T353-Q356 WeakPolarHBondContact OG1-CG 3.37Å; T353-Q356 PolarHBondContact OG1-N 2.88Å; K354-Q356 VanDerWaalsContact C-N 3.31Å; K354-Q356 PolarHBondContact O-N 2.8Å; Q356-L360 VanDerWaalsContact O-CG 3.27Å; Q356-L360 WeakPolarHBondContact O-CG 3.24Å; Q356-L360 PolarHBondContact O-N 2.77Å
357	R	94.6	Very high	94.3	Very high	81 Å²	81	74.9 Å²	74.9	31%	0.306	35%	0.345	S	S	.	.	H	α-helix	trans	-66.9	-41.5	178.5	-71.8	-173.6	-65.8	-90.7	2.2	112.3	L348 A351 T353 K354 E355 L360 R361	L348-R357 HydrophobicContact CD2-CB 3.89Å; L348-R357 HydrophobicContact CD2-CG 3.98Å; A351-R357 HydrophobicContact CB-CG 3.5Å; A351-R357 VanDerWaalsContact CB-CG 3.5Å; A351-R357 PolarHBondContact O-NH1 2.73Å; A351-R357 VanDerWaalsContact O-NH1 3.11Å; T353-R357 PolarHBondContact O-N 2.81Å; T353-R357 PolarHBondContact O-NH1 3.28Å; K354-R357 PolarHBondContact O-N 2.93Å; K354-R357 VanDerWaalsContact O-N 3.07Å; E355-R357 PolarHBondContact O-N 3.13Å; R357-L360 PolarHBondContact O-N 3.28Å; R357-R361 WeakPolarHBondContact O-CG 3.28Å; R357-R361 PolarHBondContact O-N 3.25Å; R357-R361 VanDerWaalsContact O-N 3.1Å
358	D	94.2	Very high	94.3	Very high	70 Å²	70	74.7 Å²	74.7	37%	0.374	34%	0.344	S	S	.	.	H	α-helix	trans	-67.9	-40.1	179.8	-67.9	-10.9	0	0	0	110.4	K354 E355 R361 A362	K354-D358 VanDerWaalsContact CE-OD2 3.24Å; K354-D358 WeakPolarHBondContact CE-OD2 3.32Å; K354-D358 WeakPolarHBondContact CG-OD2 3.35Å; K354-D358 PolarHBondContact O-N 2.94Å; E355-D358 PolarHBondContact O-N 3.13Å; D358-R361 PolarHBondContact O-N 3.27Å; D358-R361 IonicContact OD1-NH1 2.67Å; D358-A362 WeakPolarHBondContact O-CB 3.49Å; D358-A362 PolarHBondContact O-N 3.23Å
359	F	92.2	Very high	94.2	Very high	107 Å²	107	75.4 Å²	75.4	47%	0.469	35%	0.348	S	S	.	.	H	α-helix	trans	-59.8	-50.1	172.6	179.6	-96.7	0	0	0	112.1	F83 E355 R361 A362 S363	F83-F359 WeakPolarHBondContact O-CZ 3.5Å; E355-F359 WeakPolarHBondContact O-CB 3.42Å; E355-F359 PolarHBondContact O-N 3.49Å; F359-R361 VanDerWaalsContact C-N 3.29Å; F359-R361 PolarHBondContact O-N 2.66Å; F359-A362 PolarHBondContact O-N 2.92Å; F359-S363 WeakPolarHBondContact O-CB 3.48Å; F359-S363 PolarHBondContact O-N 2.94Å
360	L	93.8	Very high	94.2	Very high	15 Å²	15	70.4 Å²	70.4	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-38.1	178.8	-74.5	168.5	0	0	0	113	L344 L347 L348 A351 Q356 R357 S363 Y364	L344-L360 HydrophobicContact CD1-CB 4.02Å; L344-L360 WeakPolarHBondContact CD1-O 3.33Å; L347-L360 HydrophobicContact CB-CD1 3.84Å; L347-L360 HydrophobicContact CB-CD2 4.22Å; L347-L360 HydrophobicContact CD1-CD2 3.98Å; L348-L360 HydrophobicContact CD2-CB 4Å; L348-L360 HydrophobicContact CD2-CD1 4.16Å; A351-L360 HydrophobicContact CB-CD1 4.11Å; Q356-L360 VanDerWaalsContact O-CG 3.27Å; Q356-L360 WeakPolarHBondContact O-CG 3.24Å; Q356-L360 PolarHBondContact O-N 2.77Å; R357-L360 PolarHBondContact O-N 3.28Å; L360-S363 PolarHBondContact O-OG 3.01Å; L360-Y364 WeakPolarHBondContact O-CB 3.43Å; L360-Y364 PolarHBondContact O-N 2.55Å
361	R	95.5	Very high	94.1	Very high	117 Å²	117	67.4 Å²	67.4	44%	0.442	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-46.9	175.7	-73.1	-177.9	-177.3	126.4	-4.1	111.6	L348 R357 D358 F359 S363 Y364 D365	L348-R361 HydrophobicContact CD1-CG 4.33Å; L348-R361 HydrophobicContact CD2-CG 4.18Å; R357-R361 WeakPolarHBondContact O-CG 3.28Å; R357-R361 PolarHBondContact O-N 3.25Å; R357-R361 VanDerWaalsContact O-N 3.1Å; D358-R361 PolarHBondContact O-N 3.27Å; D358-R361 IonicContact OD1-NH1 2.67Å; F359-R361 VanDerWaalsContact C-N 3.29Å; F359-R361 PolarHBondContact O-N 2.66Å; R361-S363 VanDerWaalsContact C-N 3.29Å; R361-S363 PolarHBondContact O-N 2.67Å; R361-Y364 PolarHBondContact O-N 3.36Å; R361-D365 WeakPolarHBondContact O-CB 3.41Å; R361-D365 VanDerWaalsContact O-CG 3.25Å; R361-D365 PolarHBondContact O-N 2.81Å
362	A	93.7	Very high	93.9	Very high	46 Å²	46	70.4 Å²	70.4	38%	0.38	34%	0.343	S	S	.	.	H	α-helix	trans	-61	-39.8	178.1	0	0	0	0	0	111.8	D358 F359 D365 Y366	D358-A362 WeakPolarHBondContact O-CB 3.49Å; D358-A362 PolarHBondContact O-N 3.23Å; F359-A362 PolarHBondContact O-N 2.92Å; A362-D365 PolarHBondContact O-N 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.46Å; A362-Y366 PolarHBondContact O-N 3.25Å
363	S	92.5	Very high	93.8	Very high	1 Å²	1	62 Å²	62	1%	0.007	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-43.3	178	86.2	0	0	0	0	112.6	F83 S84 F359 L360 R361 L367	F83-S363 VanDerWaalsContact CE1-CA 3.41Å; F83-S363 WeakPolarHBondContact O-CB 3.31Å; S84-S363 PolarHBondContact OG-OG 2.68Å; F359-S363 WeakPolarHBondContact O-CB 3.48Å; F359-S363 PolarHBondContact O-N 2.94Å; L360-S363 PolarHBondContact O-OG 3.01Å; R361-S363 VanDerWaalsContact C-N 3.29Å; R361-S363 PolarHBondContact O-N 2.67Å; S363-L367 WeakPolarHBondContact O-CG 3.16Å; S363-L367 PolarHBondContact O-N 3.23Å
364	Y	95.3	Very high	93.7	Very high	27 Å²	27	59.4 Å²	59.4	11%	0.106	29%	0.29	C	S	.	.	H	α-helix	trans	-60.8	-52.9	171.3	171.9	-97.2	0	0	0	112.1	L86 L336 M340 V341 L344 L360 R361 Y366 L367 I368	L86-Y364 HydrophobicContact CD1-CD2 4.08Å; L86-Y364 HydrophobicContact CD1-CG 4.46Å; L336-Y364 WeakPolarHBondContact CD2-OH 3.5Å; M340-Y364 HydrophobicContact CB-CE2 4.5Å; M340-Y364 HydrophobicContact CE-CD2 3.57Å; M340-Y364 HydrophobicContact CE-CE2 3.56Å; M340-Y364 HydrophobicContact CG-CD2 4.08Å; M340-Y364 HydrophobicContact CG-CE2 4.11Å; M340-Y364 HydrophobicContact SD-CD2 4.29Å; V341-Y364 WeakPolarHBondContact CG2-OH 3.39Å; L344-Y364 HydrophobicContact CB-CD2 4.26Å; L344-Y364 HydrophobicContact CD2-CD1 3.69Å; L344-Y364 HydrophobicContact CD2-CD2 3.85Å; L344-Y364 HydrophobicContact CD2-CE1 4.09Å; L344-Y364 HydrophobicContact CD2-CE2 4.26Å; L344-Y364 HydrophobicContact CD2-CG 3.55Å; L344-Y364 HydrophobicContact CG-CG 4.45Å; L360-Y364 WeakPolarHBondContact O-CB 3.43Å; L360-Y364 PolarHBondContact O-N 2.55Å; R361-Y364 PolarHBondContact O-N 3.36Å; Y364-Y366 VanDerWaalsContact C-N 3.25Å; Y364-Y366 PolarHBondContact O-N 3.21Å; Y364-L367 PolarHBondContact O-N 2.62Å; Y364-L367 VanDerWaalsContact O-N 3.11Å; Y364-I368 HydrophobicContact CD1-CD1 3.98Å; Y364-I368 HydrophobicContact CD1-CG1 4.1Å; Y364-I368 HydrophobicContact CE1-CD1 3.28Å; Y364-I368 HydrophobicContact CE1-CG1 3.84Å; Y364-I368 HydrophobicContact CE2-CD1 4.43Å; Y364-I368 HydrophobicContact CE2-CG1 4.49Å; Y364-I368 HydrophobicContact CE2-CG2 4.32Å; Y364-I368 WeakPolarHBondContact O-CG1 3.28Å; Y364-I368 PolarHBondContact O-N 2.66Å
365	D	95.1	Very high	93.7	Very high	75 Å²	75	55.5 Å²	55.5	40%	0.401	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-39.6	-178.2	-71.8	-21.9	0	0	0	110.9	R361 A362 L367 I368 D369	R361-D365 WeakPolarHBondContact O-CB 3.41Å; R361-D365 VanDerWaalsContact O-CG 3.25Å; R361-D365 PolarHBondContact O-N 2.81Å; A362-D365 PolarHBondContact O-N 3.27Å; D365-L367 PolarHBondContact O-N 2.97Å; D365-I368 PolarHBondContact O-N 2.83Å; D365-D369 WeakPolarHBondContact O-CA 3.34Å; D365-D369 WeakPolarHBondContact O-CB 3.47Å; D365-D369 PolarHBondContact O-N 2.89Å
366	Y	93.2	Very high	93.7	Very high	88 Å²	88	58.5 Å²	58.5	35%	0.345	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-41.2	177.7	-166.6	-95.7	0	0	0	113.3	F83 A362 Y364 K372 M373	F83-Y366 AromaticContact CD1-CD1 3.82Å; F83-Y366 HydrophobicContact CD1-CD1 3.82Å; F83-Y366 AromaticContact CD1-CG 3.95Å; F83-Y366 HydrophobicContact CD1-CG 3.95Å; F83-Y366 VanDerWaalsContact CE1-CB 3.4Å; F83-Y366 HydrophobicContact CE1-CD1 4.03Å; F83-Y366 HydrophobicContact CE1-CD2 4.27Å; F83-Y366 AromaticContact CE1-CG 3.66Å; F83-Y366 HydrophobicContact CE1-CG 3.66Å; A362-Y366 WeakPolarHBondContact O-CB 3.46Å; A362-Y366 PolarHBondContact O-N 3.25Å; Y364-Y366 VanDerWaalsContact C-N 3.25Å; Y364-Y366 PolarHBondContact O-N 3.21Å; Y366-K372 HydrophobicContact CD2-CB 4.48Å; Y366-K372 HydrophobicContact CD2-CD 3.6Å; Y366-K372 HydrophobicContact CD2-CG 4.44Å; Y366-K372 HydrophobicContact CE2-CD 4.14Å; Y366-K372 HydrophobicContact CG-CD 4.23Å; Y366-M373 HydrophobicContact CD1-CG 3.81Å; Y366-M373 HydrophobicContact CD1-SD 3.48Å; Y366-M373 WeakPolarHBondContact CD1-SD 3.33Å; Y366-M373 HydrophobicContact CE1-CG 3.55Å; Y366-M373 HydrophobicContact CE1-SD 3.29Å; Y366-M373 WeakPolarHBondContact CE1-SD 3.45Å; Y366-M373 PolarHBondContact O-N 3.15Å
367	L	94.8	Very high	94	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-69.8	-32.8	179.6	-69.4	176.5	0	0	0	113.5	L86 L87 Q331 L335 M340 S363 Y364 D365 M373 G374	L86-L367 HydrophobicContact CB-CD1 4.33Å; L87-L367 HydrophobicContact CB-CD1 4.24Å; Q331-L367 PolarHBondContact NE2-O 3.07Å; L335-L367 HydrophobicContact CD1-CB 4.06Å; L335-L367 HydrophobicContact CD1-CD1 4.44Å; M340-L367 HydrophobicContact CE-CB 4.41Å; M340-L367 HydrophobicContact SD-CD1 4.19Å; S363-L367 WeakPolarHBondContact O-CG 3.16Å; S363-L367 PolarHBondContact O-N 3.23Å; Y364-L367 PolarHBondContact O-N 2.62Å; Y364-L367 VanDerWaalsContact O-N 3.11Å; D365-L367 PolarHBondContact O-N 2.97Å; L367-M373 HydrophobicContact CD2-SD 4.06Å; L367-G374 WeakPolarHBondContact O-CA 3.32Å; L367-G374 PolarHBondContact O-N 2.89Å
368	I	94.8	Very high	94.1	Very high	13 Å²	13	53.5 Å²	53.5	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-108	-17	-171.4	59.4	135.8	0	0	0	114.8	R332 L336 M340 Y364 D365 P370	R332-I368 WeakPolarHBondContact CD-O 3.16Å; R332-I368 HydrophobicContact CG-CB 4.37Å; R332-I368 WeakPolarHBondContact CG-O 3.38Å; R332-I368 VanDerWaalsContact NH1-CD1 3.29Å; R332-I368 PolarHBondContact NH1-O 3.15Å; L336-I368 HydrophobicContact CD2-CG2 4.48Å; M340-I368 HydrophobicContact CE-CG2 3.1Å; Y364-I368 HydrophobicContact CD1-CD1 3.98Å; Y364-I368 HydrophobicContact CD1-CG1 4.1Å; Y364-I368 HydrophobicContact CE1-CD1 3.28Å; Y364-I368 HydrophobicContact CE1-CG1 3.84Å; Y364-I368 HydrophobicContact CE2-CD1 4.43Å; Y364-I368 HydrophobicContact CE2-CG1 4.49Å; Y364-I368 HydrophobicContact CE2-CG2 4.32Å; Y364-I368 WeakPolarHBondContact O-CG1 3.28Å; Y364-I368 PolarHBondContact O-N 2.66Å; D365-I368 PolarHBondContact O-N 2.83Å; I368-P370 WeakPolarHBondContact O-CD 3.23Å
369	D	94.9	Very high	94.2	Very high	47 Å²	47	50.2 Å²	50.2	25%	0.251	25%	0.248	S	C	.	.			trans	-66.3	121.9	-178.4	-178.4	-22	0	0	0	110	D365 S371 K372 G374	D365-D369 WeakPolarHBondContact O-CA 3.34Å; D365-D369 WeakPolarHBondContact O-CB 3.47Å; D365-D369 PolarHBondContact O-N 2.89Å; D369-S371 PolarHBondContact O-N 3.09Å; D369-S371 VanDerWaalsContact O-N 3.15Å; D369-S371 WeakPolarHBondContact OD1-CB 3.36Å; D369-S371 PolarHBondContact OD1-N 2.78Å; D369-S371 PolarHBondContact OD1-OG 2.77Å; D369-S371 PolarHBondContact OD2-OG 2.5Å; D369-K372 HydrophobicContact CB-CB 4.23Å; D369-K372 HydrophobicContact CB-CD 3.98Å; D369-K372 HydrophobicContact CB-CG 4.17Å; D369-K372 CarbonylContact O-C 3.58Å; D369-K372 PolarHBondContact O-N 3.43Å; D369-K372 IonicContact OD2-NZ 2.75Å; D369-G374 WeakPolarHBondContact O-CA 3.47Å; D369-G374 PolarHBondContact O-N 3.02Å
370	P	94.2	Very high	94.5	Very high	67 Å²	67	45.1 Å²	45.1	44%	0.435	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.1	177.7	-29.2	37.6	0	0	0	114.9	I368 K372 S375	I368-P370 WeakPolarHBondContact O-CD 3.23Å; P370-K372 VanDerWaalsContact C-N 3.27Å; P370-S375 WeakPolarHBondContact CA-OG 3.41Å; P370-S375 WeakPolarHBondContact CB-OG 3.4Å; P370-S375 WeakPolarHBondContact O-CB 3.3Å
371	S	92.8	Very high	94.7	Very high	82 Å²	82	44.4 Å²	44.4	57%	0.573	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-12.7	179	70.6	0	0	0	0	113.5	D369	D369-S371 PolarHBondContact O-N 3.09Å; D369-S371 VanDerWaalsContact O-N 3.15Å; D369-S371 WeakPolarHBondContact OD1-CB 3.36Å; D369-S371 PolarHBondContact OD1-N 2.78Å; D369-S371 PolarHBondContact OD1-OG 2.77Å; D369-S371 PolarHBondContact OD2-OG 2.5Å
372	K	91.1	Very high	94.8	Very high	77 Å²	77	38.8 Å²	38.8	34%	0.335	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-119.8	-179.4	-58.3	174.5	-175.9	166.9	0	109.4	Y366 D369 P370 R376	Y366-K372 HydrophobicContact CD2-CB 4.48Å; Y366-K372 HydrophobicContact CD2-CD 3.6Å; Y366-K372 HydrophobicContact CD2-CG 4.44Å; Y366-K372 HydrophobicContact CE2-CD 4.14Å; Y366-K372 HydrophobicContact CG-CD 4.23Å; D369-K372 HydrophobicContact CB-CB 4.23Å; D369-K372 HydrophobicContact CB-CD 3.98Å; D369-K372 HydrophobicContact CB-CG 4.17Å; D369-K372 CarbonylContact O-C 3.58Å; D369-K372 PolarHBondContact O-N 3.43Å; D369-K372 IonicContact OD2-NZ 2.75Å; P370-K372 VanDerWaalsContact C-N 3.27Å; K372-R376 WeakPolarHBondContact O-CD 3.36Å; K372-R376 WeakPolarHBondContact O-CG 3.43Å
373	M	92.8	Very high	95	Very high	11 Å²	11	36.6 Å²	36.6	5%	0.054	18%	0.182	C	C	.	.	H	α-helix	trans	-80.6	-29.3	-177.8	-52.1	-170.4	87.2	0	0	112.6	S80 Y366 L367 S375 R376 F377	S80-M373 WeakPolarHBondContact OG-CE 3.45Å; S80-M373 PolarHBondContact OG-SD 3.37Å; S80-M373 VanDerWaalsContact OG-SD 3.35Å; Y366-M373 HydrophobicContact CD1-CG 3.81Å; Y366-M373 HydrophobicContact CD1-SD 3.48Å; Y366-M373 WeakPolarHBondContact CD1-SD 3.33Å; Y366-M373 HydrophobicContact CE1-CG 3.55Å; Y366-M373 HydrophobicContact CE1-SD 3.29Å; Y366-M373 WeakPolarHBondContact CE1-SD 3.45Å; Y366-M373 PolarHBondContact O-N 3.15Å; L367-M373 HydrophobicContact CD2-SD 4.06Å; M373-S375 VanDerWaalsContact C-N 3.29Å; M373-S375 PolarHBondContact O-N 3.17Å; M373-R376 PolarHBondContact O-N 3.37Å; M373-R376 VanDerWaalsContact O-N 3.14Å; M373-F377 HydrophobicContact CB-CD2 3.8Å; M373-F377 HydrophobicContact CB-CE2 4.33Å; M373-F377 HydrophobicContact CB-CG 4.39Å; M373-F377 HydrophobicContact CE-CD1 4.24Å; M373-F377 HydrophobicContact CE-CD2 3.71Å; M373-F377 HydrophobicContact CE-CE1 3.75Å; M373-F377 HydrophobicContact CE-CE2 3.18Å; M373-F377 HydrophobicContact CE-CG 4.22Å; M373-F377 HydrophobicContact CE-CZ 3.2Å; M373-F377 HydrophobicContact CG-CD2 4.27Å; M373-F377 HydrophobicContact CG-CE2 4.3Å; M373-F377 WeakPolarHBondContact O-CB 3.29Å; M373-F377 PolarHBondContact O-N 3.28Å
374	G	93.8	Very high	95.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.2	-37.5	-164.3	0	0	0	0	0	115.2	S330 Q331 R332 L367 D369	S330-G374 WeakPolarHBondContact CB-O 3.43Å; Q331-G374 PolarHBondContact N-O 2.96Å; R332-G374 VanDerWaalsContact CB-O 3.25Å; R332-G374 WeakPolarHBondContact CB-O 3.35Å; R332-G374 PolarHBondContact N-O 3Å; L367-G374 WeakPolarHBondContact O-CA 3.32Å; L367-G374 PolarHBondContact O-N 2.89Å; D369-G374 WeakPolarHBondContact O-CA 3.47Å; D369-G374 PolarHBondContact O-N 3.02Å
375	S	94.2	Very high	95.2	Very high	48 Å²	48	40 Å²	40	34%	0.336	20%	0.199	S	C	.	.	H	α-helix	trans	-100.7	-27	176.6	-68.4	0	0	0	0	114.2	P370 M373 K378	P370-S375 WeakPolarHBondContact CA-OG 3.41Å; P370-S375 WeakPolarHBondContact CB-OG 3.4Å; P370-S375 WeakPolarHBondContact O-CB 3.3Å; M373-S375 VanDerWaalsContact C-N 3.29Å; M373-S375 PolarHBondContact O-N 3.17Å; S375-K378 WeakPolarHBondContact O-CE 3.3Å; S375-K378 PolarHBondContact O-NZ 2.85Å
376	R	93.5	Very high	95.1	Very high	165 Å²	165	42.7 Å²	42.7	62%	0.623	22%	0.218	S	C	*	.	H	α-helix	trans	-72.6	-44	-178.7	-67.2	-176.2	-178.2	-174.6	-1.1	111.1	Y276 G277 K372 M373	Y276-R376 WeakPolarHBondContact CA-O 3.48Å; G277-R376 PolarHBondContact N-O 2.76Å; K372-R376 WeakPolarHBondContact O-CD 3.36Å; K372-R376 WeakPolarHBondContact O-CG 3.43Å; M373-R376 PolarHBondContact O-N 3.37Å; M373-R376 VanDerWaalsContact O-N 3.14Å
377	F	96.2	Very high	95.2	Very high	14 Å²	14	40.3 Å²	40.3	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	141.4	174.7	-79.5	-109.9	0	0	0	110.5	E190 V274 D275 Y276 Q331 M373	E190-F377 HydrophobicContact CG-CE1 3.53Å; E190-F377 HydrophobicContact CG-CZ 3.98Å; V274-F377 HydrophobicContact CG1-CD1 4.35Å; D275-F377 WeakPolarHBondContact O-CA 3.31Å; Y276-F377 HydrophobicContact CD1-CE1 4.03Å; Y276-F377 AromaticContact CD1-CE2 3.89Å; Y276-F377 HydrophobicContact CD1-CE2 3.89Å; Y276-F377 AromaticContact CD1-CZ 3.51Å; Y276-F377 HydrophobicContact CD1-CZ 3.51Å; Y276-F377 HydrophobicContact CE1-CZ 4.37Å; Y276-F377 HydrophobicContact CG-CE2 4.22Å; Y276-F377 HydrophobicContact CG-CZ 4.27Å; Q331-F377 HydrophobicContact CB-CB 3.6Å; Q331-F377 HydrophobicContact CG-CB 4.3Å; Q331-F377 PolarHBondContact N-O 3.37Å; M373-F377 HydrophobicContact CB-CD2 3.8Å; M373-F377 HydrophobicContact CB-CE2 4.33Å; M373-F377 HydrophobicContact CB-CG 4.39Å; M373-F377 HydrophobicContact CE-CD1 4.24Å; M373-F377 HydrophobicContact CE-CD2 3.71Å; M373-F377 HydrophobicContact CE-CE1 3.75Å; M373-F377 HydrophobicContact CE-CE2 3.18Å; M373-F377 HydrophobicContact CE-CG 4.22Å; M373-F377 HydrophobicContact CE-CZ 3.2Å; M373-F377 HydrophobicContact CG-CD2 4.27Å; M373-F377 HydrophobicContact CG-CE2 4.3Å; M373-F377 WeakPolarHBondContact O-CB 3.29Å; M373-F377 PolarHBondContact O-N 3.28Å
378	K	97.2	Very high	95.2	Very high	53 Å²	53	46.4 Å²	46.4	23%	0.23	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	155.3	179.8	-54.4	-56.6	-177.9	-168.6	0	110.1	V274 D275 F312 P328 I329 S375	V274-K378 WeakPolarHBondContact CA-O 3.33Å; D275-K378 PolarHBondContact N-O 2.76Å; D275-K378 VanDerWaalsContact N-O 3.11Å; D275-K378 PolarHBondContact O-N 3.5Å; F312-K378 HydrophobicContact CD2-CB 4.06Å; F312-K378 HydrophobicContact CD2-CG 4.08Å; F312-K378 HydrophobicContact CE1-CB 4.36Å; F312-K378 HydrophobicContact CE2-CB 3.49Å; F312-K378 VanDerWaalsContact CE2-CB 3.49Å; F312-K378 HydrophobicContact CE2-CG 3.72Å; F312-K378 HydrophobicContact CZ-CB 3.66Å; F312-K378 HydrophobicContact CZ-CG 4.39Å; P328-K378 HydrophobicContact CB-CB 3.75Å; P328-K378 HydrophobicContact CB-CG 4.17Å; I329-K378 CarbonylContact O-C 3.54Å; I329-K378 WeakPolarHBondContact O-CA 3.09Å; S375-K378 WeakPolarHBondContact O-CE 3.3Å; S375-K378 PolarHBondContact O-NZ 2.85Å
379	V	97.8	Very high	95.1	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.1	175.3	-171.5	0	0	0	0	108.2	L272 V273 V274 P328 I329 Q331 F334 F399	L272-V379 HydrophobicContact CD1-CG1 3.47Å; L272-V379 VanDerWaalsContact CD1-CG1 3.47Å; L272-V379 HydrophobicContact CD2-CG1 4.35Å; L272-V379 HydrophobicContact CG-CG1 3.95Å; V273-V379 WeakPolarHBondContact O-CA 3.44Å; V274-V379 HydrophobicContact CG1-CG2 4.39Å; V274-V379 HydrophobicContact CG2-CG1 4.15Å; V274-V379 HydrophobicContact CG2-CG2 4.21Å; P328-V379 CarbonylContact C-O 3.6Å; P328-V379 VanDerWaalsContact CA-O 3.3Å; P328-V379 WeakPolarHBondContact CA-O 3.36Å; I329-V379 HydrophobicContact CG1-CB 4.23Å; I329-V379 PolarHBondContact N-O 2.87Å; I329-V379 PolarHBondContact O-N 3.26Å; Q331-V379 HydrophobicContact CB-CG2 4.45Å; F334-V379 HydrophobicContact CB-CB 4.08Å; F334-V379 HydrophobicContact CB-CG1 4.47Å; F334-V379 HydrophobicContact CB-CG2 3.64Å; F334-V379 HydrophobicContact CD1-CB 4.48Å; F334-V379 HydrophobicContact CD1-CG1 4.15Å; F334-V379 HydrophobicContact CD1-CG2 3.85Å; F334-V379 HydrophobicContact CD2-CB 4.3Å; F334-V379 HydrophobicContact CD2-CG1 3.81Å; F334-V379 HydrophobicContact CD2-CG2 4.47Å; F334-V379 HydrophobicContact CE1-CG1 4.36Å; F334-V379 HydrophobicContact CE2-CG1 4.04Å; F334-V379 HydrophobicContact CG-CB 4.02Å; F334-V379 HydrophobicContact CG-CG1 3.87Å; F334-V379 HydrophobicContact CG-CG2 3.73Å; F334-V379 HydrophobicContact CZ-CG1 4.3Å; V379-F399 HydrophobicContact CB-CZ 4.4Å; V379-F399 HydrophobicContact CG1-CE1 4.42Å; V379-F399 HydrophobicContact CG1-CE2 4.39Å; V379-F399 HydrophobicContact CG1-CZ 3.71Å
380	F	97.7	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.7	-179.2	176	-86.9	0	0	0	109.1	M257 V273 F312 R316 T325 M382	M257-F380 HydrophobicContact CE-CE1 3.88Å; V273-F380 HydrophobicContact CB-CB 4.37Å; V273-F380 HydrophobicContact CB-CD1 4.49Å; V273-F380 HydrophobicContact CG2-CD1 4.45Å; V273-F380 PolarHBondContact N-O 3.13Å; V273-F380 PolarHBondContact O-N 2.89Å; F312-F380 HydrophobicContact CD1-CB 3.55Å; F312-F380 HydrophobicContact CD1-CD2 4.21Å; F312-F380 HydrophobicContact CD1-CG 4Å; F312-F380 HydrophobicContact CE1-CB 3.69Å; R316-F380 HydrophobicContact CB-CE2 3.98Å; R316-F380 HydrophobicContact CB-CZ 4.1Å; R316-F380 HydrophobicContact CG-CE2 4.27Å; R316-F380 HydrophobicContact CG-CZ 4.41Å; T325-F380 VanDerWaalsContact CB-CZ 3.49Å; T325-F380 HydrophobicContact CG2-CE1 4.11Å; T325-F380 HydrophobicContact CG2-CE2 4.31Å; T325-F380 HydrophobicContact CG2-CZ 3.46Å; T325-F380 VanDerWaalsContact CG2-CZ 3.46Å; F380-M382 HydrophobicContact CD1-CG 4.31Å; F380-M382 HydrophobicContact CE1-CG 3.64Å; F380-M382 HydrophobicContact CE1-SD 4.38Å
381	A	98	Very high	95	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147.8	-178.2	0	0	0	0	0	112.3	W94 A271 L272 T325 I326 F383 F399	W94-A381 HydrophobicContact CZ2-CB 4.44Å; A271-A381 CarbonylContact O-C 3.52Å; A271-A381 VanDerWaalsContact O-CA 3.25Å; A271-A381 WeakPolarHBondContact O-CA 3.19Å; L272-A381 HydrophobicContact CD1-CB 3.93Å; T325-A381 CarbonylContact C-O 3.58Å; T325-A381 VanDerWaalsContact CA-O 3.32Å; T325-A381 WeakPolarHBondContact CA-O 3.37Å; I326-A381 PolarHBondContact N-O 2.7Å; I326-A381 PolarHBondContact O-N 2.62Å; A381-F383 HydrophobicContact CB-CD2 4.32Å; A381-F383 HydrophobicContact CB-CE2 3.65Å; A381-F399 HydrophobicContact CB-CE1 4.27Å; A381-F399 HydrophobicContact CB-CE2 3.87Å; A381-F399 HydrophobicContact CB-CZ 3.55Å
382	M	97.7	Very high	94.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.3	174.2	-60.1	163.8	63.2	0	0	110.7	M257 L260 A261 I264 A270 A271 V319 V323 T325 F380	M257-M382 HydrophobicContact CE-CE 4.06Å; M257-M382 HydrophobicContact CE-CG 4.21Å; M257-M382 HydrophobicContact CE-SD 3.18Å; M257-M382 WeakPolarHBondContact CE-SD 3.35Å; M257-M382 HydrophobicContact SD-SD 4.05Å; L260-M382 HydrophobicContact CB-CE 4.3Å; A261-M382 HydrophobicContact CB-CE 3.69Å; I264-M382 HydrophobicContact CD1-CB 4.27Å; A270-M382 CarbonylContact C-O 3.58Å; A270-M382 VanDerWaalsContact CA-O 3.24Å; A270-M382 WeakPolarHBondContact CA-O 3.47Å; A270-M382 WeakPolarHBondContact CB-O 3.36Å; A271-M382 HydrophobicContact CB-CB 4.19Å; A271-M382 HydrophobicContact CB-SD 4.12Å; A271-M382 PolarHBondContact N-O 3.04Å; A271-M382 PolarHBondContact O-N 3.18Å; V319-M382 HydrophobicContact CB-CE 4.33Å; V319-M382 HydrophobicContact CG1-CE 4.29Å; V319-M382 HydrophobicContact CG2-CE 4.14Å; V323-M382 HydrophobicContact CB-CE 4.47Å; V323-M382 HydrophobicContact CG1-CE 4.17Å; V323-M382 HydrophobicContact CG2-CB 4.4Å; V323-M382 HydrophobicContact CG2-CE 3.76Å; V323-M382 HydrophobicContact CG2-CG 4.4Å; T325-M382 HydrophobicContact CG2-CG 4.38Å; F380-M382 HydrophobicContact CD1-CG 4.31Å; F380-M382 HydrophobicContact CE1-CG 3.64Å; F380-M382 HydrophobicContact CE1-SD 4.38Å
383	F	97.4	Very high	95	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.4	177.5	-68.2	-92	0	0	0	110.5	W94 A270 V323 Y324 I326 A381 K385 L387 L391 P396	W94-F383 HydrophobicContact CH2-CZ 4.44Å; W94-F383 HydrophobicContact CZ2-CE2 4.41Å; W94-F383 AromaticContact CZ2-CZ 3.75Å; W94-F383 HydrophobicContact CZ2-CZ 3.75Å; A270-F383 HydrophobicContact CB-CD1 3.73Å; A270-F383 HydrophobicContact CB-CE1 3.59Å; A270-F383 HydrophobicContact CB-CG 4.39Å; A270-F383 HydrophobicContact CB-CZ 4.13Å; V323-F383 WeakPolarHBondContact CA-O 3.4Å; V323-F383 VanDerWaalsContact CB-O 3.28Å; V323-F383 WeakPolarHBondContact CB-O 3.2Å; Y324-F383 PolarHBondContact N-O 2.95Å; Y324-F383 PolarHBondContact O-N 2.83Å; I326-F383 HydrophobicContact CD1-CD2 4.23Å; I326-F383 HydrophobicContact CD1-CE2 4.26Å; A381-F383 HydrophobicContact CB-CD2 4.32Å; A381-F383 HydrophobicContact CB-CE2 3.65Å; F383-K385 PolarHBondContact O-N 2.9Å; F383-L387 HydrophobicContact CB-CD1 4.39Å; F383-L387 HydrophobicContact CD1-CD1 4.27Å; F383-L391 HydrophobicContact CB-CD1 3.56Å; F383-L391 HydrophobicContact CD1-CD1 4.02Å; F383-L391 HydrophobicContact CD2-CD1 3.89Å; F383-L391 HydrophobicContact CG-CD1 3.56Å; F383-P396 HydrophobicContact CE1-CB 4.47Å; F383-P396 HydrophobicContact CE2-CB 3.97Å; F383-P396 HydrophobicContact CE2-CG 3.75Å; F383-P396 HydrophobicContact CZ-CB 3.56Å; F383-P396 HydrophobicContact CZ-CG 3.9Å
384	P	96.2	Very high	94.9	Very high	13 Å²	13	59.7 Å²	59.7	8%	0.084	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	133.9	171.5	-23.5	32.2	0	0	0	111	I264 G269 V386 L387	I264-P384 HydrophobicContact CG2-CB 4.48Å; I264-P384 HydrophobicContact CG2-CG 3.56Å; G269-P384 VanDerWaalsContact O-CD 3.23Å; G269-P384 WeakPolarHBondContact O-CD 3.22Å; P384-V386 HydrophobicContact CB-CG1 3.95Å; P384-V386 PolarHBondContact O-N 2.84Å; P384-L387 HydrophobicContact CB-CG 4.5Å; P384-L387 HydrophobicContact CG-CD1 4.41Å; P384-L387 WeakPolarHBondContact O-CB 3.43Å; P384-L387 PolarHBondContact O-N 3.08Å
385	K	95.4	Very high	94.9	Very high	86 Å²	86	62.1 Å²	62.1	37%	0.374	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.8	-175.5	-167.3	164.4	-177.7	164.1	0	114.1	N320 N321 E322 F383 L387 R388	N320-K385 PolarHBondContact O-NZ 2.88Å; N321-K385 WeakPolarHBondContact O-CD 3.46Å; N321-K385 PolarHBondContact O-NZ 2.81Å; E322-K385 WeakPolarHBondContact O-CB 3.34Å; F383-K385 PolarHBondContact O-N 2.9Å; K385-L387 PolarHBondContact O-N 3.49Å; K385-R388 VanDerWaalsContact O-CB 3.26Å; K385-R388 WeakPolarHBondContact O-CB 3.34Å; K385-R388 PolarHBondContact O-N 2.82Å; K385-R388 VanDerWaalsContact O-N 3.14Å
386	V	94.3	Very high	94.9	Very high	131 Å²	131	60 Å²	60	79%	0.794	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-59.6	-26.6	173	67	0	0	0	0	112.9	P384 R388	P384-V386 HydrophobicContact CB-CG1 3.95Å; P384-V386 PolarHBondContact O-N 2.84Å; V386-R388 VanDerWaalsContact C-N 3.32Å; V386-R388 PolarHBondContact O-N 2.9Å
387	L	94.1	Very high	95	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.199	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-81.2	-7.5	178.7	-60.5	-176.7	0	0	0	113.9	L102 F383 P384 K385 K389 Y390 L391	L102-L387 HydrophobicContact CD2-CD1 3.49Å; L102-L387 VanDerWaalsContact CD2-CD1 3.49Å; L102-L387 HydrophobicContact CD2-CD2 4.2Å; F383-L387 HydrophobicContact CB-CD1 4.39Å; F383-L387 HydrophobicContact CD1-CD1 4.27Å; P384-L387 HydrophobicContact CB-CG 4.5Å; P384-L387 HydrophobicContact CG-CD1 4.41Å; P384-L387 WeakPolarHBondContact O-CB 3.43Å; P384-L387 PolarHBondContact O-N 3.08Å; K385-L387 PolarHBondContact O-N 3.49Å; L387-K389 VanDerWaalsContact C-N 3.32Å; L387-K389 PolarHBondContact O-N 2.82Å; L387-Y390 WeakPolarHBondContact O-CA 3.32Å; L387-Y390 WeakPolarHBondContact O-CB 3.47Å; L387-Y390 PolarHBondContact O-N 3.31Å; L387-L391 HydrophobicContact CB-CD1 3.76Å; L387-L391 HydrophobicContact CB-CG 4.14Å; L387-L391 WeakPolarHBondContact O-CG 3.45Å; L387-L391 PolarHBondContact O-N 2.65Å
388	R	94.5	Very high	95	Very high	129 Å²	129	51.9 Å²	51.9	49%	0.487	26%	0.256	S	S	.	.	H	α-helix	trans	-49.6	-48.9	-174.9	174.9	172.1	-178.1	174	6	113.2	Y324 K385 V386 Y390 L391 D392	Y324-R388 HydrophobicContact CD2-CB 3.9Å; Y324-R388 HydrophobicContact CD2-CG 3.65Å; Y324-R388 HydrophobicContact CE2-CB 4.32Å; Y324-R388 HydrophobicContact CE2-CG 3.63Å; Y324-R388 HydrophobicContact CG-CB 4.06Å; Y324-R388 HydrophobicContact CG-CG 4.27Å; K385-R388 VanDerWaalsContact O-CB 3.26Å; K385-R388 WeakPolarHBondContact O-CB 3.34Å; K385-R388 PolarHBondContact O-N 2.82Å; K385-R388 VanDerWaalsContact O-N 3.14Å; V386-R388 VanDerWaalsContact C-N 3.32Å; V386-R388 PolarHBondContact O-N 2.9Å; R388-Y390 PolarHBondContact O-N 2.9Å; R388-L391 PolarHBondContact O-N 3.23Å; R388-D392 WeakPolarHBondContact CG-OD2 3.49Å; R388-D392 IonicContact NE-OD2 3.08Å; R388-D392 WeakPolarHBondContact O-CB 3.49Å; R388-D392 VanDerWaalsContact O-CG 3.22Å; R388-D392 PolarHBondContact O-N 2.85Å
389	K	93.5	Very high	94.9	Very high	182 Å²	182	49.7 Å²	49.7	79%	0.791	25%	0.247	S	C	*	.	H	α-helix	trans	-61.2	-32.3	-178.9	-69.5	-174.9	179.7	179.6	0	113	L387 V393	L387-K389 VanDerWaalsContact C-N 3.32Å; L387-K389 PolarHBondContact O-N 2.82Å; K389-V393 WeakPolarHBondContact O-CG2 3.42Å
390	Y	93.1	Very high	94.4	Very high	89 Å²	89	54 Å²	54	35%	0.349	27%	0.267	S	S	.	.	H	α-helix	trans	-75.4	-48.4	176	172.3	-93	0	0	0	110.4	Q101 L387 R388 D392 V393 K394	Q101-Y390 PolarHBondContact OE1-OH 2.86Å; Q101-Y390 VanDerWaalsContact OE1-OH 3.14Å; L387-Y390 WeakPolarHBondContact O-CA 3.32Å; L387-Y390 WeakPolarHBondContact O-CB 3.47Å; L387-Y390 PolarHBondContact O-N 3.31Å; R388-Y390 PolarHBondContact O-N 2.9Å; Y390-D392 VanDerWaalsContact C-N 3.34Å; Y390-D392 PolarHBondContact O-N 2.8Å; Y390-V393 PolarHBondContact O-N 3.33Å; Y390-V393 VanDerWaalsContact O-N 3.08Å; Y390-K394 PolarHBondContact O-N 2.85Å
391	L	93.6	Very high	93.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-69.6	-28.9	-176.3	-62.8	170.2	0	0	0	113.3	Y324 I326 F383 L387 R388 V393 K394 P395	Y324-L391 HydrophobicContact CD1-CB 4.14Å; Y324-L391 HydrophobicContact CD1-CD1 3.75Å; Y324-L391 HydrophobicContact CE1-CB 3.75Å; Y324-L391 HydrophobicContact CE1-CD1 4.2Å; I326-L391 HydrophobicContact CD1-CB 4.21Å; I326-L391 HydrophobicContact CD1-CD1 4.29Å; F383-L391 HydrophobicContact CB-CD1 3.56Å; F383-L391 HydrophobicContact CD1-CD1 4.02Å; F383-L391 HydrophobicContact CD2-CD1 3.89Å; F383-L391 HydrophobicContact CG-CD1 3.56Å; L387-L391 HydrophobicContact CB-CD1 3.76Å; L387-L391 HydrophobicContact CB-CG 4.14Å; L387-L391 WeakPolarHBondContact O-CG 3.45Å; L387-L391 PolarHBondContact O-N 2.65Å; R388-L391 PolarHBondContact O-N 3.23Å; L391-V393 PolarHBondContact O-N 3.26Å; L391-K394 WeakPolarHBondContact CA-O 3.47Å; L391-K394 CarbonylContact O-C 3.56Å; L391-K394 VanDerWaalsContact O-C 3.29Å; L391-P395 WeakPolarHBondContact O-CA 3.29Å; L391-P395 VanDerWaalsContact O-N 3.16Å
392	D	91.3	Very high	90.8	Very high	83 Å²	83	62.9 Å²	62.9	44%	0.444	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-28.1	171.9	-75.5	-21.4	0	0	0	111.8	Y324 R388 Y390	Y324-D392 VanDerWaalsContact CZ-OD1 3.31Å; Y324-D392 PolarHBondContact OH-OD1 2.82Å; R388-D392 WeakPolarHBondContact CG-OD2 3.49Å; R388-D392 IonicContact NE-OD2 3.08Å; R388-D392 WeakPolarHBondContact O-CB 3.49Å; R388-D392 VanDerWaalsContact O-CG 3.22Å; R388-D392 PolarHBondContact O-N 2.85Å; Y390-D392 VanDerWaalsContact C-N 3.34Å; Y390-D392 PolarHBondContact O-N 2.8Å
393	V	91.6	Very high	88.3	Confident	128 Å²	128	68.4 Å²	68.4	78%	0.776	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-42.1	178.2	177.1	0	0	0	0	111.3	K389 Y390 L391	K389-V393 WeakPolarHBondContact O-CG2 3.42Å; Y390-V393 PolarHBondContact O-N 3.33Å; Y390-V393 VanDerWaalsContact O-N 3.08Å; L391-V393 PolarHBondContact O-N 3.26Å
394	K	91.6	Very high	85.6	Confident	89 Å²	89	71.5 Å²	71.5	39%	0.387	38%	0.383	S	S	.	.	S	Bend	trans	-128.9	91.9	179.5	-174	179.1	175.8	-175.8	0	108.6	Y390 L391	Y390-K394 PolarHBondContact O-N 2.85Å; L391-K394 WeakPolarHBondContact CA-O 3.47Å; L391-K394 CarbonylContact O-C 3.56Å; L391-K394 VanDerWaalsContact O-C 3.29Å
395	P	93.2	Very high	82.4	Confident	52 Å²	52	76.6 Å²	76.6	34%	0.338	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-54.1	152.2	174.7	-25.6	34.8	0	0	0	111.1	L391	L391-P395 WeakPolarHBondContact O-CA 3.29Å; L391-P395 VanDerWaalsContact O-N 3.16Å
396	P	95.2	Very high	79.4	Confident	2 Å²	2	79.7 Å²	79.7	1%	0.013	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-62.5	156.1	173.7	30.6	-35.3	0	0	0	110	E98 I326 F383 G398 F399	E98-P396 WeakPolarHBondContact OE1-CA 3.42Å; E98-P396 VanDerWaalsContact OE1-CB 3.29Å; E98-P396 WeakPolarHBondContact OE1-CB 3.25Å; I326-P396 HydrophobicContact CD1-CG 3.62Å; F383-P396 HydrophobicContact CE1-CB 4.47Å; F383-P396 HydrophobicContact CE2-CB 3.97Å; F383-P396 HydrophobicContact CE2-CG 3.75Å; F383-P396 HydrophobicContact CZ-CB 3.56Å; F383-P396 HydrophobicContact CZ-CG 3.9Å; P396-G398 PolarHBondContact O-N 2.89Å; P396-F399 HydrophobicContact CB-CD2 4.39Å; P396-F399 HydrophobicContact CG-CB 4.11Å; P396-F399 HydrophobicContact CG-CD2 3.68Å; P396-F399 HydrophobicContact CG-CE2 4.37Å; P396-F399 HydrophobicContact CG-CG 4.07Å; P396-F399 PolarHBondContact O-N 3.06Å; P396-F399 VanDerWaalsContact O-N 3.14Å
397	A	95	Very high	76.5	Confident	9 Å²	9	78.6 Å²	78.6	7%	0.074	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	137.8	-177.2	0	0	0	0	0	111	W94 H97 E98 M338 F399	W94-A397 PolarHBondContact NE1-O 3.4Å; H97-A397 HydrophobicContact CB-CB 4.36Å; E98-A397 PolarHBondContact OE1-N 2.91Å; M338-A397 HydrophobicContact CE-CB 4.39Å; M338-A397 VanDerWaalsContact SD-C 3.57Å; M338-A397 HydrophobicContact SD-CB 3.71Å; A397-F399 VanDerWaalsContact C-N 3.31Å; A397-F399 PolarHBondContact O-N 3.44Å
398	G	95.8	Very high	73.5	Confident	1 Å²	1	92.1 Å²	92.1	1%	0.01	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	92.7	-20.2	-179.8	0	0	0	0	0	114	I329 N337 P396 E400	I329-G398 WeakPolarHBondContact CD1-O 3.49Å; N337-G398 WeakPolarHBondContact CB-O 3.48Å; N337-G398 PolarHBondContact ND2-O 3.32Å; P396-G398 PolarHBondContact O-N 2.89Å; G398-E400 VanDerWaalsContact C-OE2 3.23Å; G398-E400 VanDerWaalsContact CA-OE2 3.28Å; G398-E400 WeakPolarHBondContact CA-OE2 2.81Å; G398-E400 PolarHBondContact N-OE2 3.28Å
399	F	95.9	Very high	72.4	Confident	7 Å²	7	90.3 Å²	90.3	3%	0.031	48%	0.476	C	S	.	.			trans	-97	13.4	-176.7	-68.3	-96.2	0	0	0	114	L272 I326 I329 F334 V379 A381 P396 A397	L272-F399 HydrophobicContact CD1-CE2 4Å; L272-F399 HydrophobicContact CD1-CZ 3.9Å; I326-F399 HydrophobicContact CB-CD1 4.37Å; I326-F399 HydrophobicContact CG2-CB 4.02Å; I326-F399 HydrophobicContact CG2-CD1 3.61Å; I326-F399 HydrophobicContact CG2-CE1 4.28Å; I326-F399 HydrophobicContact CG2-CG 3.95Å; I329-F399 HydrophobicContact CD1-CD1 3.69Å; I329-F399 HydrophobicContact CD1-CE1 4.07Å; I329-F399 HydrophobicContact CD1-CG 4.08Å; I329-F399 HydrophobicContact CG1-CD1 3.89Å; I329-F399 HydrophobicContact CG1-CE1 3.89Å; I329-F399 HydrophobicContact CG2-CD1 4.21Å; F334-F399 HydrophobicContact CD2-CD2 4.19Å; F334-F399 AromaticContact CD2-CE2 3.86Å; F334-F399 HydrophobicContact CD2-CE2 3.86Å; F334-F399 HydrophobicContact CD2-CZ 4.27Å; F334-F399 HydrophobicContact CE2-CD2 4.14Å; F334-F399 AromaticContact CE2-CE2 3.65Å; F334-F399 HydrophobicContact CE2-CE2 3.65Å; F334-F399 HydrophobicContact CE2-CZ 4.34Å; V379-F399 HydrophobicContact CB-CZ 4.4Å; V379-F399 HydrophobicContact CG1-CE1 4.42Å; V379-F399 HydrophobicContact CG1-CE2 4.39Å; V379-F399 HydrophobicContact CG1-CZ 3.71Å; A381-F399 HydrophobicContact CB-CE1 4.27Å; A381-F399 HydrophobicContact CB-CE2 3.87Å; A381-F399 HydrophobicContact CB-CZ 3.55Å; P396-F399 HydrophobicContact CB-CD2 4.39Å; P396-F399 HydrophobicContact CG-CB 4.11Å; P396-F399 HydrophobicContact CG-CD2 3.68Å; P396-F399 HydrophobicContact CG-CE2 4.37Å; P396-F399 HydrophobicContact CG-CG 4.07Å; P396-F399 PolarHBondContact O-N 3.06Å; P396-F399 VanDerWaalsContact O-N 3.14Å; A397-F399 VanDerWaalsContact C-N 3.31Å; A397-F399 PolarHBondContact O-N 3.44Å
400	E	86.5	Confident	71.3	Confident	92 Å²	92	85.5 Å²	85.5	43%	0.43	46%	0.46	S	S	.	.			trans	-72.8	128.2	176.2	-52.7	87.8	165.4	0	0	111.4	N337 G398	N337-E400 PolarHBondContact ND2-O 3.32Å; G398-E400 VanDerWaalsContact C-OE2 3.23Å; G398-E400 VanDerWaalsContact CA-OE2 3.28Å; G398-E400 WeakPolarHBondContact CA-OE2 2.81Å; G398-E400 PolarHBondContact N-OE2 3.28Å
401	G	72.5	Confident	70.1	Confident	54 Å²	54	85.3 Å²	85.3	56%	0.557	47%	0.466	S	S	*	.	S	Bend	trans	142.7	-178.8	177.5	0	0	0	0	0	112	M403	G401-M403 PolarHBondContact O-N 3.48Å
402	P	49	Very low	68.7	Low	131 Å²	131	90.1 Å²	90.1	85%	0.851	49%	0.492	S	S	*	.			trans	-64.3	102.7	175.8	26.4	-30.1	0	0	0	108.1	S404	P402-S404 PolarHBondContact O-N 2.98Å
403	M	45.6	Very low	67.3	Low	116 Å²	116	90.5 Å²	90.5	57%	0.571	50%	0.495	S	S	*	.			trans	-50.8	126.7	160.4	-69	-163.4	-70	0	0	106	G401 S405	G401-M403 PolarHBondContact O-N 3.48Å; M403-S405 PolarHBondContact O-N 2.77Å
404	S	39.4	Very low	65.7	Low	66 Å²	66	88 Å²	88	46%	0.462	48%	0.476	S	S	.	.			trans	-47.1	120.2	171.9	40.1	0	0	0	0	107.3	P402 Q406	P402-S404 PolarHBondContact O-N 2.98Å; S404-Q406 PolarHBondContact O-N 3.23Å
405	S	28.8	Very low	63.8	Low	119 Å²	119	87.9 Å²	87.9	83%	0.832	48%	0.483	S	S	*	.	S	Bend	trans	-69.8	77	-175.7	54.2	0	0	0	0	109.5	M403	M403-S405 PolarHBondContact O-N 2.77Å
406	Q	34	Very low	61.6	Low	151 Å²	151	90.7 Å²	90.7	71%	0.706	49%	0.494	S	S	*	.			trans	-138.9	7.3	172.9	-74	-163.9	-4.3	0	0	114.6	S404	S404-Q406 PolarHBondContact O-N 3.23Å
407	T	31.7	Very low	58.8	Low	109 Å²	109	98.1 Å²	98.1	67%	0.669	53%	0.534	S	S	*	.			trans	-128.5	83.4	171	28.9	0	0	0	0	111.6
408	R	31.1	Very low	55.5	Low	322 Å²	322	106.2 Å²	106.2	100%	1.215	58%	0.576	S	S	*	*			trans	-119	0	144.8	-102.9	-168.1	-177.9	-169.6	2.2	108.4

Retrieved 408 of 408 residues in 1119.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).