A0A061INB2_CRIGR Loading...

Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase

AlphaFold DB , UniProt , Accession A0A061INB2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100760811, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	33	Very low	238 Å²	238	158.3 Å²	158.3	100%	1.172	84%	0.841	S	S	*	*				0	105.4	0	-65.7	169.7	173.9	0	0	105.7
2	A	31.8	Very low	33	Very low	91 Å²	91	165.4 Å²	165.4	75%	0.752	85%	0.848	S	S	*	*				48.2	121.9	54.9	0	0	0	0	0	110.7
3	T	31.7	Very low	32.6	Very low	129 Å²	129	159.1 Å²	159.1	79%	0.791	85%	0.848	S	S	*	*			cis	-156.9	-177.6	5.6	2	0	0	0	0	107.6
4	R	32	Very low	32.3	Very low	213 Å²	213	152.9 Å²	152.9	80%	0.804	84%	0.841	S	S	*	*			cis	-161.6	165	20.7	-138.2	165.7	-166.6	165.5	4.4	109.1
5	A	38.4	Very low	32.3	Very low	94 Å²	94	155.4 Å²	155.4	78%	0.777	85%	0.852	S	S	*	*			trans	-115.6	149.3	167.7	0	0	0	0	0	111.9
6	R	33.7	Very low	32	Very low	226 Å²	226	150.1 Å²	150.1	85%	0.853	84%	0.844	S	S	*	*			trans	-158.4	138.7	163	-69.3	-170.4	171.7	176.4	-5.5	108
7	G	28.6	Very low	32	Very low	68 Å²	68	151.9 Å²	151.9	70%	0.701	85%	0.85	S	S	*	*			cis	107.7	88.1	-4.2	0	0	0	0	0	114.4
8	F	30.1	Very low	31.8	Very low	200 Å²	200	147.4 Å²	147.4	88%	0.877	84%	0.843	S	S	*	*			trans	-165.4	106.2	163.9	-116	-84.7	0	0	0	106.2
9	L	29.7	Very low	32.7	Very low	151 Å²	151	146.6 Å²	146.6	79%	0.791	84%	0.844	S	S	*	*				80.9	112.4	57.4	-155.4	81.9	0	0	0	114.1
10	L	35.8	Very low	32.7	Very low	163 Å²	163	144.5 Å²	144.5	85%	0.853	85%	0.845	S	S	*	*			trans	-71.6	158.5	171.2	-73.6	119.1	0	0	0	112.6
11	L	31.1	Very low	32.6	Very low	168 Å²	168	149.2 Å²	149.2	88%	0.88	85%	0.848	S	S	*	*			trans	-151.3	159.7	150.8	-110.1	153.6	0	0	0	112.2
12	R	32.6	Very low	32.3	Very low	244 Å²	244	142.4 Å²	142.4	92%	0.921	83%	0.83	S	S	*	*			trans	-109.8	162.1	-163	-74.6	171.7	157.4	-174.8	-5.4	113.4
13	G	27.4	Very low	32.5	Very low	83 Å²	83	144.3 Å²	144.3	86%	0.856	84%	0.835	S	S	*	*			trans	108.4	145.7	150.9	0	0	0	0	0	115.1
14	G	28.8	Very low	32.4	Very low	73 Å²	73	141.7 Å²	141.7	75%	0.753	83%	0.833	S	S	*	*			cis	174	143.1	-7	0	0	0	0	0	112.9
15	L	31.7	Very low	32.8	Very low	190 Å²	190	138.6 Å²	138.6	100%	0.995	84%	0.837	S	S	*	*			trans	33.6	128.3	154.9	-69.8	160.4	0	0	0	121.8
16	G	28.6	Very low	32.6	Very low	70 Å²	70	138.2 Å²	138.2	72%	0.722	83%	0.834	S	S	*	*			trans	179.9	72.9	165.7	0	0	0	0	0	117.5
17	L	31	Very low	32.7	Very low	182 Å²	182	136.5 Å²	136.5	95%	0.953	84%	0.836	S	S	*	*			trans	53.1	129.6	139.6	-62.8	162.5	0	0	0	122.3
18	G	28.6	Very low	32.8	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	84%	0.844	S	S	*	*			trans	-89.6	-148.4	163.6	0	0	0	0	0	112.8
19	P	49.1	Very low	33	Very low	132 Å²	132	138.9 Å²	138.9	86%	0.857	84%	0.837	S	S	*	*			cis	-138	178.8	7.2	43.3	-26.2	0	0	0	116.2
20	A	32.1	Very low	32.8	Very low	105 Å²	105	144 Å²	144	87%	0.868	85%	0.846	S	S	*	*			trans	-147.5	148.4	156.6	0	0	0	0	0	110.9
21	R	32.3	Very low	32.6	Very low	244 Å²	244	147 Å²	147	92%	0.921	85%	0.846	S	S	*	*			trans	-108.4	133.4	-167	-84.9	178.9	163.8	-179.5	-5.1	114.4
22	A	33.2	Very low	32.8	Very low	94 Å²	94	142.5 Å²	142.5	78%	0.777	84%	0.84	S	S	*	*			trans	57.8	171.8	137.4	0	0	0	0	0	119.6
23	P	36.9	Very low	33	Very low	132 Å²	132	140.9 Å²	140.9	86%	0.857	84%	0.84	S	S	*	*			cis	-124.6	-176.9	-9.6	41.3	-26.6	0	0	0	113.6
24	G	29.2	Very low	33.3	Very low	74 Å²	74	140.3 Å²	140.3	76%	0.763	83%	0.834	S	S	*	*			trans	144.1	80.5	158.7	0	0	0	0	0	116.6
25	V	40.8	Very low	34	Very low	147 Å²	147	142.4 Å²	142.4	89%	0.891	84%	0.837	S	S	*	*			trans	-81.1	125.9	161.7	178.5	0	0	0	0	108.1
26	A	33	Very low	34.5	Very low	86 Å²	86	138.5 Å²	138.5	71%	0.711	83%	0.826	S	S	*	*			trans	-138.8	103.1	170.9	0	0	0	0	0	109.5	R28	A26-R28 PolarHBondContact O-N 3.2Å
27	E	36.3	Very low	35.5	Very low	191 Å²	191	138.4 Å²	138.4	89%	0.893	82%	0.824	S	S	*	*			trans	-59.2	118.1	169.9	-66.3	177.7	121.4	0	0	109.5
28	R	31.5	Very low	36.6	Very low	229 Å²	229	139.3 Å²	139.3	86%	0.864	82%	0.815	S	S	*	*			trans	-99.4	101.9	164.4	-73.5	-168.9	-179.5	-166.1	1.7	108.7	A26 W30	A26-R28 PolarHBondContact O-N 3.2Å; R28-W30 PolarHBondContact O-N 3.32Å
29	A	32.5	Very low	37.9	Very low	88 Å²	88	147.5 Å²	147.5	73%	0.727	82%	0.824	S	S	*	*			trans	-48.9	128.7	171.2	0	0	0	0	0	110.5	R31	A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.85Å
30	W	27.1	Very low	38.8	Very low	260 Å²	260	146.9 Å²	146.9	99%	0.985	81%	0.809	S	S	*	*			trans	-65.5	90.6	170.6	-84.6	50.8	0	0	0	109.2	R28 G32	R28-W30 PolarHBondContact O-N 3.32Å; W30-G32 PolarHBondContact O-N 3.21Å; W30-G32 VanDerWaalsContact O-N 3.17Å
31	R	31.8	Very low	41.4	Very low	225 Å²	225	148.2 Å²	148.2	85%	0.849	80%	0.798	S	S	*	*			trans	-66.9	112.4	164.6	-72.2	-170.5	175.8	-147.2	-1.4	107.2	A29 F33	A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.85Å; R31-F33 PolarHBondContact O-N 3.17Å
32	G	34.7	Very low	44.5	Very low	73 Å²	73	137.1 Å²	137.1	75%	0.753	76%	0.758	S	S	*	*			trans	-54	124	179.6	0	0	0	0	0	110.7	W30 G34	W30-G32 PolarHBondContact O-N 3.21Å; W30-G32 VanDerWaalsContact O-N 3.17Å; G32-G34 VanDerWaalsContact C-N 3.34Å; G32-G34 PolarHBondContact O-N 2.96Å
33	F	36.2	Very low	47.5	Very low	211 Å²	211	137.5 Å²	137.5	93%	0.925	75%	0.746	S	S	*	*			trans	-66.7	98.5	166.3	-83.1	-91.6	0	0	0	107.8	R31 S35	R31-F33 PolarHBondContact O-N 3.17Å; F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.12Å
34	G	33.7	Very low	50.5	Low	70 Å²	70	135.6 Å²	135.6	72%	0.722	73%	0.728	S	S	*	*			trans	-57.4	116.5	164.9	0	0	0	0	0	108.1	G32 S36	G32-G34 VanDerWaalsContact C-N 3.34Å; G32-G34 PolarHBondContact O-N 2.96Å; G34-S36 PolarHBondContact O-N 3.12Å
35	S	44.4	Very low	53.8	Low	117 Å²	117	132.5 Å²	132.5	82%	0.818	69%	0.694	S	S	*	*			trans	-65.1	102.1	175.9	44.8	0	0	0	0	108.6	F33 G37	F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.12Å; S35-G37 PolarHBondContact O-N 2.76Å
36	S	42.7	Very low	56.5	Low	109 Å²	109	128.4 Å²	128.4	76%	0.762	67%	0.672	S	S	*	*			trans	-66.9	84.6	167.1	60.4	0	0	0	0	107.6	G34 R38	G34-S36 PolarHBondContact O-N 3.12Å; S36-R38 VanDerWaalsContact C-N 3.28Å; S36-R38 PolarHBondContact O-N 2.77Å
37	G	48.9	Very low	59.6	Low	67 Å²	67	124.3 Å²	124.3	69%	0.691	64%	0.638	S	S	*	*			trans	-65.1	83.6	-172.5	0	0	0	0	0	111.7	S35 R39	S35-G37 PolarHBondContact O-N 2.76Å; G37-R39 PolarHBondContact O-N 3.43Å
38	R	53	Low	62.6	Low	201 Å²	201	118 Å²	118	76%	0.758	61%	0.612	S	S	*	*			trans	-59.1	108.2	156.9	-71.5	-175.4	-178.4	177.5	1.1	106	S36 H40	S36-R38 VanDerWaalsContact C-N 3.28Å; S36-R38 PolarHBondContact O-N 2.77Å; R38-H40 VanDerWaalsContact C-N 3.28Å; R38-H40 PolarHBondContact O-CD2 2.88Å; R38-H40 PolarHBondContact O-N 3.03Å
39	R	56.3	Low	65.7	Low	242 Å²	242	110.6 Å²	110.6	91%	0.913	59%	0.587	S	S	*	*			trans	-62.8	95.8	167	-71.3	179.7	177.1	166.6	-0.6	106.9	G37 E41	G37-R39 PolarHBondContact O-N 3.43Å; R39-E41 PolarHBondContact O-N 3.02Å
40	H	68.5	Low	68.9	Low	119 Å²	119	107.2 Å²	107.2	55%	0.551	56%	0.557	S	S	*	*			trans	-80.8	104.4	171	-84.1	-82.8	0	0	0	107.4	R38	R38-H40 VanDerWaalsContact C-N 3.28Å; R38-H40 PolarHBondContact O-CD2 2.88Å; R38-H40 PolarHBondContact O-N 3.03Å
41	E	87.5	Confident	72.3	Confident	134 Å²	134	95 Å²	95	63%	0.626	51%	0.511	S	S	*	.			trans	-72.7	140.9	161.5	-66.8	-160.9	141.5	0	0	109	R39 K304	R39-E41 PolarHBondContact O-N 3.02Å; E41-K304 WeakPolarHBondContact CA-O 3.08Å
42	A	95.6	Very high	75.5	Confident	10 Å²	10	88.8 Å²	88.8	8%	0.083	49%	0.49	C	S	.	.			trans	-61.3	142.3	-178.4	0	0	0	0	0	111.7	I44 K304 A307 I310	A42-I44 PolarHBondContact O-N 3.3Å; A42-I44 VanDerWaalsContact O-N 3.15Å; A42-K304 HydrophobicContact CB-CB 4.23Å; A42-K304 WeakPolarHBondContact CB-O 3.42Å; A42-K304 PolarHBondContact N-O 2.69Å; A42-A307 VanDerWaalsContact CA-O 3.26Å; A42-A307 WeakPolarHBondContact CA-O 3.34Å; A42-A307 HydrophobicContact CB-CB 4.04Å; A42-A307 WeakPolarHBondContact CB-O 3.41Å; A42-I310 HydrophobicContact CB-CB 4.12Å; A42-I310 HydrophobicContact CB-CG2 3.63Å
43	I	98	Very high	78.5	Confident	103 Å²	103	89.5 Å²	89.5	53%	0.528	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	114.1	167.3	-64.5	170.2	0	0	0	107.9	I45 S308 F309 I310	I43-I45 PolarHBondContact O-N 2.83Å; I43-S308 PolarHBondContact N-O 3.33Å; I43-F309 HydrophobicContact CB-CD1 3.69Å; I43-F309 HydrophobicContact CB-CE1 3.95Å; I43-F309 HydrophobicContact CD1-CD1 4.24Å; I43-F309 HydrophobicContact CD1-CE1 3.63Å; I43-F309 HydrophobicContact CD1-CZ 4.16Å; I43-F309 HydrophobicContact CG1-CD1 4.5Å; I43-F309 HydrophobicContact CG1-CE1 4.35Å; I43-F309 HydrophobicContact CG2-CD1 3.96Å; I43-F309 HydrophobicContact CG2-CE1 4.08Å; I43-F309 WeakPolarHBondContact O-CA 3.37Å; I43-I310 PolarHBondContact O-N 3.02Å
44	I	98.4	Very high	81.5	Confident	91 Å²	91	79.5 Å²	79.5	47%	0.467	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	110.2	178.3	-57.2	175.5	0	0	0	108.8	A42 S46 F300 I310 P312	A42-I44 PolarHBondContact O-N 3.3Å; A42-I44 VanDerWaalsContact O-N 3.15Å; I44-S46 PolarHBondContact O-N 2.97Å; I44-F300 HydrophobicContact CD1-CE1 4.48Å; I44-F300 HydrophobicContact CD1-CZ 4.04Å; I44-F300 HydrophobicContact CG1-CZ 4.16Å; I44-F300 HydrophobicContact CG2-CZ 4.24Å; I44-I310 CarbonylContact C-O 3.4Å; I44-I310 WeakPolarHBondContact CA-O 3.42Å; I44-I310 HydrophobicContact CG1-CG2 4.15Å; I44-P312 HydrophobicContact CG2-CB 4.27Å; I44-P312 HydrophobicContact CG2-CG 3.89Å
45	I	98.4	Very high	84.6	Confident	10 Å²	10	78.5 Å²	78.5	5%	0.051	41%	0.406	C	S	.	.			trans	-75.2	106.1	-179.6	-58	177.2	0	0	0	109.5	I43 G47 M50 I188 T192 I194 F309 I310 T311 P312	I43-I45 PolarHBondContact O-N 2.83Å; I45-G47 PolarHBondContact O-N 3.14Å; I45-M50 HydrophobicContact CG2-CE 4.25Å; I45-I188 HydrophobicContact CD1-CG2 3.87Å; I45-I188 HydrophobicContact CG2-CG2 4.04Å; I45-T192 HydrophobicContact CD1-CG2 3.96Å; I45-T192 HydrophobicContact CG1-CG2 4.24Å; I45-I194 HydrophobicContact CD1-CD1 4.16Å; I45-F309 HydrophobicContact CD1-CB 4.03Å; I45-F309 HydrophobicContact CD1-CD1 4.41Å; I45-F309 HydrophobicContact CG1-CB 4.41Å; I45-F309 HydrophobicContact CG1-CD1 4.35Å; I45-I310 PolarHBondContact N-O 2.86Å; I45-T311 HydrophobicContact CB-CG2 4.02Å; I45-T311 HydrophobicContact CD1-CG2 4.22Å; I45-T311 HydrophobicContact CG2-CG2 4.33Å; I45-P312 WeakPolarHBondContact O-CD 3.45Å
46	S	98.4	Very high	87.1	Confident	61 Å²	61	79.7 Å²	79.7	43%	0.427	40%	0.397	S	S	.	.			trans	-76.2	85.9	172.9	-174.7	0	0	0	0	111.3	I44 T48 E49 M50	I44-S46 PolarHBondContact O-N 2.97Å; S46-T48 PolarHBondContact O-N 3.24Å; S46-E49 PolarHBondContact O-N 3.32Å; S46-E49 PolarHBondContact OG-N 2.88Å; S46-M50 PolarHBondContact O-N 2.67Å; S46-M50 VanDerWaalsContact O-N 3.1Å
47	G	98.3	Very high	89.8	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-60.5	-26.3	171.3	0	0	0	0	0	112.7	I45 A51 G315 G316	I45-G47 PolarHBondContact O-N 3.14Å; G47-A51 WeakPolarHBondContact O-CB 3.26Å; G47-A51 PolarHBondContact O-N 3.17Å; G47-G315 CarbonylContact C-O 3.57Å; G47-G315 WeakPolarHBondContact CA-O 3.48Å; G47-G315 PolarHBondContact N-O 3.13Å; G47-G315 VanDerWaalsContact N-O 3.14Å; G47-G316 WeakPolarHBondContact CA-O 3.48Å
48	T	98.2	Very high	92.2	Very high	57 Å²	57	75.9 Å²	75.9	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-58.4	-44	168.8	-55.6	0	0	0	0	112.5	S46 K52 G315	S46-T48 PolarHBondContact O-N 3.24Å; T48-K52 WeakPolarHBondContact O-CG 3.27Å; T48-K52 PolarHBondContact O-N 2.89Å; T48-G315 PolarHBondContact N-O 2.95Å; T48-G315 WeakPolarHBondContact OG1-CA 3.28Å; T48-G315 PolarHBondContact OG1-O 2.62Å; T48-G315 VanDerWaalsContact OG1-O 3.07Å
49	E	98.3	Very high	94.3	Very high	75 Å²	75	69.7 Å²	69.7	35%	0.35	33%	0.329	S	S	.	.	H	α-helix	trans	-76.7	-41	-178.9	-166.3	56.1	-138.9	0	0	111.4	S46 A51 K52 Q53	S46-E49 PolarHBondContact O-N 3.32Å; S46-E49 PolarHBondContact OG-N 2.88Å; E49-A51 VanDerWaalsContact C-N 3.3Å; E49-A51 PolarHBondContact O-N 2.96Å; E49-K52 WeakPolarHBondContact O-CB 3.22Å; E49-K52 PolarHBondContact O-N 3.39Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-K52 VanDerWaalsContact OE2-CD 3.32Å; E49-K52 WeakPolarHBondContact OE2-CD 3.16Å; E49-K52 WeakPolarHBondContact OE2-CE 3.49Å; E49-K52 IonicContact OE2-NZ 3.24Å; E49-K52 PolarHBondContact OE2-NZ 3.34Å; E49-Q53 PolarHBondContact O-N 3.08Å; E49-Q53 VanDerWaalsContact O-N 3.13Å
50	M	98.4	Very high	96.4	Very high	17 Å²	17	63.1 Å²	63.1	8%	0.084	31%	0.309	C	S	.	.	H	α-helix	trans	-60.7	-39.3	174.3	-167.9	-176.6	-67.7	0	0	111.8	I45 S46 K52 Q53 I54 I188 R191 M320	I45-M50 HydrophobicContact CG2-CE 4.25Å; S46-M50 PolarHBondContact O-N 2.67Å; S46-M50 VanDerWaalsContact O-N 3.1Å; M50-K52 PolarHBondContact O-N 3.4Å; M50-Q53 WeakPolarHBondContact O-CB 3.29Å; M50-Q53 PolarHBondContact O-N 3.14Å; M50-I54 HydrophobicContact CG-CD1 4.26Å; M50-I54 WeakPolarHBondContact O-CG1 3.46Å; M50-I54 PolarHBondContact O-N 3.04Å; M50-I188 HydrophobicContact SD-CB 4.47Å; M50-I188 HydrophobicContact SD-CG1 3.95Å; M50-R191 HydrophobicContact CE-CB 3.66Å; M50-R191 HydrophobicContact SD-CB 3.86Å; M50-R191 HydrophobicContact SD-CG 4.34Å; M50-M320 HydrophobicContact CB-SD 3.62Å; M50-M320 HydrophobicContact CG-CE 3.85Å; M50-M320 HydrophobicContact CG-SD 3.59Å; M50-M320 VanDerWaalsContact CG-SD 3.59Å; M50-M320 HydrophobicContact SD-CE 3.49Å; M50-M320 WeakPolarHBondContact SD-CE 3.16Å; M50-M320 HydrophobicContact SD-SD 3.82Å
51	A	98.4	Very high	97.8	Very high	2 Å²	2	58.2 Å²	58.2	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-37.3	174.7	0	0	0	0	0	112.5	G47 E49 I54 Q55 P319 M320 A323	G47-A51 WeakPolarHBondContact O-CB 3.26Å; G47-A51 PolarHBondContact O-N 3.17Å; E49-A51 VanDerWaalsContact C-N 3.3Å; E49-A51 PolarHBondContact O-N 2.96Å; A51-I54 PolarHBondContact O-N 3.4Å; A51-Q55 WeakPolarHBondContact O-CB 3.18Å; A51-Q55 WeakPolarHBondContact O-CG 3.37Å; A51-Q55 PolarHBondContact O-N 3.26Å; A51-P319 HydrophobicContact CB-CB 3.95Å; A51-P319 WeakPolarHBondContact CB-O 3.26Å; A51-M320 HydrophobicContact CB-CG 4.48Å; A51-M320 HydrophobicContact CB-SD 4.03Å; A51-M320 PolarHBondContact N-SD 2.82Å; A51-M320 VanDerWaalsContact N-SD 3.39Å; A51-A323 HydrophobicContact CB-CB 4.04Å
52	K	98.4	Very high	98.3	Very high	96 Å²	96	52 Å²	52	42%	0.417	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-38.2	173.3	-68.4	166.8	-171.3	169.5	0	112.1	T48 E49 M50 Q55 K56	T48-K52 WeakPolarHBondContact O-CG 3.27Å; T48-K52 PolarHBondContact O-N 2.89Å; E49-K52 WeakPolarHBondContact O-CB 3.22Å; E49-K52 PolarHBondContact O-N 3.39Å; E49-K52 VanDerWaalsContact O-N 3.14Å; E49-K52 VanDerWaalsContact OE2-CD 3.32Å; E49-K52 WeakPolarHBondContact OE2-CD 3.16Å; E49-K52 WeakPolarHBondContact OE2-CE 3.49Å; E49-K52 IonicContact OE2-NZ 3.24Å; E49-K52 PolarHBondContact OE2-NZ 3.34Å; M50-K52 PolarHBondContact O-N 3.4Å; K52-Q55 PolarHBondContact O-N 2.66Å; K52-K56 WeakPolarHBondContact O-CG 3.17Å; K52-K56 PolarHBondContact O-N 2.75Å
53	Q	98.4	Very high	98.4	Very high	87 Å²	87	56.6 Å²	56.6	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-62.4	-50.3	176.3	-65.1	171	2.4	0	0	110.1	E49 M50 Q55 K56 E57	E49-Q53 PolarHBondContact O-N 3.08Å; E49-Q53 VanDerWaalsContact O-N 3.13Å; M50-Q53 WeakPolarHBondContact O-CB 3.29Å; M50-Q53 PolarHBondContact O-N 3.14Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 2.84Å; Q53-K56 WeakPolarHBondContact O-CB 3.32Å; Q53-K56 PolarHBondContact O-N 2.85Å; Q53-K56 VanDerWaalsContact O-N 3.07Å; Q53-E57 WeakPolarHBondContact O-CG 3.3Å; Q53-E57 PolarHBondContact O-N 3.35Å
54	I	98.6	Very high	98.5	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-39.6	176.4	-66.5	162.2	0	0	0	111.5	M50 A51 K56 E57 I58 E187 M320 A323 M324	M50-I54 HydrophobicContact CG-CD1 4.26Å; M50-I54 WeakPolarHBondContact O-CG1 3.46Å; M50-I54 PolarHBondContact O-N 3.04Å; A51-I54 PolarHBondContact O-N 3.4Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 2.83Å; I54-E57 WeakPolarHBondContact O-CB 3.43Å; I54-E57 PolarHBondContact O-N 3.46Å; I54-I58 HydrophobicContact CG2-CD1 3.72Å; I54-I58 HydrophobicContact CG2-CG1 4.28Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 3.37Å; I54-E187 HydrophobicContact CD1-CG 3.8Å; I54-M320 HydrophobicContact CD1-CE 3.32Å; I54-M320 HydrophobicContact CD1-SD 3.73Å; I54-A323 HydrophobicContact CB-CB 4.21Å; I54-A323 HydrophobicContact CG2-CB 3.89Å; I54-M324 HydrophobicContact CD1-SD 4.18Å; I54-M324 HydrophobicContact CG2-SD 4.34Å
55	Q	98.6	Very high	98.4	Very high	49 Å²	49	52.3 Å²	52.3	23%	0.229	26%	0.26	C	S	.	.	H	α-helix	trans	-63.9	-34.6	175.2	-76.4	170.2	9.8	0	0	112.8	A51 K52 Q53 Q59 V100 A323	A51-Q55 WeakPolarHBondContact O-CB 3.18Å; A51-Q55 WeakPolarHBondContact O-CG 3.37Å; A51-Q55 PolarHBondContact O-N 3.26Å; K52-Q55 PolarHBondContact O-N 2.66Å; Q53-Q55 VanDerWaalsContact C-N 3.32Å; Q53-Q55 PolarHBondContact O-N 2.84Å; Q55-Q59 WeakPolarHBondContact O-CB 3.15Å; Q55-Q59 PolarHBondContact O-N 2.97Å; Q55-V100 HydrophobicContact CB-CG1 3.73Å; Q55-V100 HydrophobicContact CG-CG1 3.93Å; Q55-V100 WeakPolarHBondContact O-CG1 3.43Å; Q55-A323 HydrophobicContact CG-CB 4.31Å
56	K	98.6	Very high	98.4	Very high	143 Å²	143	54.6 Å²	54.6	62%	0.622	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-43	171.5	-69.8	169.4	-178.2	176.7	0	111.5	K52 Q53 I54 Q59 Q60	K52-K56 WeakPolarHBondContact O-CG 3.17Å; K52-K56 PolarHBondContact O-N 2.75Å; Q53-K56 WeakPolarHBondContact O-CB 3.32Å; Q53-K56 PolarHBondContact O-N 2.85Å; Q53-K56 VanDerWaalsContact O-N 3.07Å; I54-K56 VanDerWaalsContact C-N 3.33Å; I54-K56 PolarHBondContact O-N 2.83Å; K56-Q59 PolarHBondContact O-N 3.37Å; K56-Q60 PolarHBondContact O-N 3.28Å
57	E	98.6	Very high	98.4	Very high	90 Å²	90	56 Å²	56	42%	0.421	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-46	175.1	-66.3	160.5	-149.9	0	0	111.4	Q53 I54 Q60 G61 R191	Q53-E57 WeakPolarHBondContact O-CG 3.3Å; Q53-E57 PolarHBondContact O-N 3.35Å; I54-E57 WeakPolarHBondContact O-CB 3.43Å; I54-E57 PolarHBondContact O-N 3.46Å; E57-Q60 PolarHBondContact O-N 2.95Å; E57-G61 PolarHBondContact O-N 2.82Å; E57-R191 IonicContact OE1-CZ 2.7Å; E57-R191 IonicContact OE1-NH1 3.91Å; E57-R191 PolarHBondContact OE1-NH1 3.1Å; E57-R191 IonicContact OE1-NH2 3.7Å; E57-R191 PolarHBondContact OE1-NH2 2.87Å; E57-R191 IonicContact OE2-CZ 3.99Å; E57-R191 IonicContact OE2-NH1 3.19Å; E57-R191 IonicContact OE2-NH2 2.98Å; E57-R191 PolarHBondContact OE2-NH2 3.29Å
58	I	98.6	Very high	98.3	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	32%	0.32	C	S	.	.	H	α-helix	trans	-62.9	-46.8	175.7	-64.6	162.1	0	0	0	110.4	I54 Q60 G61 V62 V100 I102 A323 L326 K327 L330	I54-I58 HydrophobicContact CG2-CD1 3.72Å; I54-I58 HydrophobicContact CG2-CG1 4.28Å; I54-I58 VanDerWaalsContact O-CG1 3.25Å; I54-I58 WeakPolarHBondContact O-CG1 3.5Å; I54-I58 PolarHBondContact O-N 3.37Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 3.19Å; I58-G61 CarbonylContact O-C 3.55Å; I58-G61 WeakPolarHBondContact O-CA 3.27Å; I58-G61 PolarHBondContact O-N 2.74Å; I58-V62 HydrophobicContact CG2-CG2 4.22Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.08Å; I58-V100 HydrophobicContact CB-CB 4.41Å; I58-V100 HydrophobicContact CB-CG1 4.41Å; I58-V100 HydrophobicContact CG2-CB 3.92Å; I58-V100 HydrophobicContact CG2-CG1 4.35Å; I58-V100 HydrophobicContact CG2-CG2 3.81Å; I58-I102 HydrophobicContact CG2-CD1 4.15Å; I58-A323 VanDerWaalsContact CD1-O 3.25Å; I58-A323 WeakPolarHBondContact CD1-O 3.49Å; I58-L326 HydrophobicContact CD1-CB 3.99Å; I58-K327 HydrophobicContact CD1-CB 3.99Å; I58-K327 HydrophobicContact CG1-CB 4.34Å; I58-L330 HydrophobicContact CG2-CD2 4.16Å
59	Q	98.8	Very high	98.3	Very high	71 Å²	71	63 Å²	63	33%	0.332	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-40.9	178.9	-168.6	-166.2	86.6	0	0	111.6	Q55 K56 V62 K63 A99 V100	Q55-Q59 WeakPolarHBondContact O-CB 3.15Å; Q55-Q59 PolarHBondContact O-N 2.97Å; K56-Q59 PolarHBondContact O-N 3.37Å; Q59-V62 PolarHBondContact O-N 3.08Å; Q59-K63 WeakPolarHBondContact O-CG 3.37Å; Q59-K63 PolarHBondContact O-N 2.8Å; Q59-A99 PolarHBondContact NE2-O 2.88Å; Q59-V100 WeakPolarHBondContact CA-O 3.12Å; Q59-V100 HydrophobicContact CB-CB 4.23Å
60	Q	98.6	Very high	98.2	Very high	105 Å²	105	62.3 Å²	62.3	49%	0.491	34%	0.336	S	S	.	.	H	α-helix	trans	-66.2	-42.3	173.7	-174.3	55.2	44.9	0	0	111.5	K56 E57 I58 V62 K63 S64	K56-Q60 PolarHBondContact O-N 3.28Å; E57-Q60 PolarHBondContact O-N 2.95Å; I58-Q60 VanDerWaalsContact C-N 3.29Å; I58-Q60 PolarHBondContact O-N 3.19Å; Q60-V62 VanDerWaalsContact C-N 3.32Å; Q60-V62 PolarHBondContact O-N 2.79Å; Q60-K63 PolarHBondContact O-N 2.73Å; Q60-S64 PolarHBondContact NE2-OG 3.4Å; Q60-S64 PolarHBondContact O-N 3.29Å; Q60-S64 PolarHBondContact O-OG 3.15Å
61	G	98.5	Very high	98.1	Very high	15 Å²	15	69.9 Å²	69.9	16%	0.155	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-34.3	176.2	0	0	0	0	0	114.2	E57 I58 W65	E57-G61 PolarHBondContact O-N 2.82Å; I58-G61 CarbonylContact O-C 3.55Å; I58-G61 WeakPolarHBondContact O-CA 3.27Å; I58-G61 PolarHBondContact O-N 2.74Å; G61-W65 VanDerWaalsContact O-CB 3.28Å; G61-W65 WeakPolarHBondContact O-CB 3.35Å; G61-W65 PolarHBondContact O-N 3.41Å; G61-W65 VanDerWaalsContact O-N 3.11Å
62	V	98.6	Very high	98.1	Very high	3 Å²	3	75.8 Å²	75.8	2%	0.018	39%	0.386	C	S	.	.	H	α-helix	trans	-71.2	-45.2	172.7	171.5	0	0	0	0	110.9	I58 Q59 Q60 W65 I66 P73 I102 L330	I58-V62 HydrophobicContact CG2-CG2 4.22Å; I58-V62 WeakPolarHBondContact O-CG2 3.49Å; I58-V62 PolarHBondContact O-N 3.08Å; Q59-V62 PolarHBondContact O-N 3.08Å; Q60-V62 VanDerWaalsContact C-N 3.32Å; Q60-V62 PolarHBondContact O-N 2.79Å; V62-W65 WeakPolarHBondContact O-CB 3.41Å; V62-W65 PolarHBondContact O-N 3.18Å; V62-I66 HydrophobicContact CG1-CD1 3.8Å; V62-I66 WeakPolarHBondContact O-CG1 3.34Å; V62-I66 PolarHBondContact O-N 2.8Å; V62-P73 HydrophobicContact CG2-CG 4.45Å; V62-I102 HydrophobicContact CG2-CD1 4.44Å; V62-I102 HydrophobicContact CG2-CG1 3.91Å; V62-L330 HydrophobicContact CG2-CD1 3.82Å; V62-L330 HydrophobicContact CG2-CD2 4.34Å
63	K	98.4	Very high	98.1	Very high	108 Å²	108	71.2 Å²	71.2	47%	0.47	37%	0.366	S	S	.	.	H	α-helix	trans	-57.6	-50.1	175.6	-76.9	167.2	173.8	168.7	0	111.4	Q59 Q60 W65 I66 A67	Q59-K63 WeakPolarHBondContact O-CG 3.37Å; Q59-K63 PolarHBondContact O-N 2.8Å; Q60-K63 PolarHBondContact O-N 2.73Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 2.89Å; K63-I66 PolarHBondContact O-N 3.24Å; K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 3.42Å
64	S	98.2	Very high	98.1	Very high	60 Å²	60	69 Å²	69	42%	0.42	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-38.2	177.3	-61.2	0	0	0	0	112.3	Q60 A67 L68	Q60-S64 PolarHBondContact NE2-OG 3.4Å; Q60-S64 PolarHBondContact O-N 3.29Å; Q60-S64 PolarHBondContact O-OG 3.15Å; S64-A67 PolarHBondContact O-N 2.99Å; S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.15Å
65	W	97.6	Very high	98.1	Very high	44 Å²	44	68.9 Å²	68.9	17%	0.167	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-45.2	177.5	178.4	-111.8	0	0	0	113	G61 V62 K63 L68 N70 R71 A333 K334	G61-W65 VanDerWaalsContact O-CB 3.28Å; G61-W65 WeakPolarHBondContact O-CB 3.35Å; G61-W65 PolarHBondContact O-N 3.41Å; G61-W65 VanDerWaalsContact O-N 3.11Å; V62-W65 WeakPolarHBondContact O-CB 3.41Å; V62-W65 PolarHBondContact O-N 3.18Å; K63-W65 VanDerWaalsContact C-N 3.32Å; K63-W65 PolarHBondContact O-N 2.89Å; W65-L68 PolarHBondContact O-N 3.29Å; W65-N70 HydrophobicContact CD2-CB 3.69Å; W65-N70 HydrophobicContact CE3-CB 4.22Å; W65-N70 HydrophobicContact CG-CB 4.16Å; W65-N70 HydrophobicContact CH2-CB 4.07Å; W65-N70 HydrophobicContact CZ2-CB 3.48Å; W65-N70 VanDerWaalsContact CZ2-CB 3.48Å; W65-N70 HydrophobicContact CZ3-CB 4.4Å; W65-N70 WeakPolarHBondContact CZ3-ND2 3.38Å; W65-N70 WeakPolarHBondContact O-CB 3.5Å; W65-N70 PolarHBondContact O-ND2 2.73Å; W65-N70 VanDerWaalsContact O-ND2 3.13Å; W65-R71 PolarHBondContact NE1-O 2.97Å; W65-A333 WeakPolarHBondContact CZ2-O 3.49Å; W65-K334 HydrophobicContact CD2-CG 3.83Å; W65-K334 HydrophobicContact CE3-CD 4.21Å; W65-K334 HydrophobicContact CE3-CG 3.65Å; W65-K334 HydrophobicContact CH2-CB 4.37Å; W65-K334 HydrophobicContact CH2-CG 4.12Å; W65-K334 HydrophobicContact CZ2-CG 4.3Å; W65-K334 HydrophobicContact CZ3-CB 4.31Å; W65-K334 HydrophobicContact CZ3-CG 3.8Å
66	I	97.9	Very high	98.1	Very high	58 Å²	58	66.6 Å²	66.6	30%	0.297	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-36.5	177.2	-63.8	167	0	0	0	111	V62 K63 L68 G69 R72	V62-I66 HydrophobicContact CG1-CD1 3.8Å; V62-I66 WeakPolarHBondContact O-CG1 3.34Å; V62-I66 PolarHBondContact O-N 2.8Å; K63-I66 PolarHBondContact O-N 3.24Å; I66-L68 PolarHBondContact O-N 2.98Å; I66-G69 PolarHBondContact O-N 2.86Å; I66-R72 HydrophobicContact CD1-CB 3.97Å; I66-R72 HydrophobicContact CD1-CG 4.01Å; I66-R72 HydrophobicContact CG1-CB 4.31Å
67	A	97.9	Very high	98.1	Very high	89 Å²	89	59.8 Å²	59.8	74%	0.736	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-23.5	176.8	0	0	0	0	0	113.4	K63 S64 G69	K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 3.42Å; S64-A67 PolarHBondContact O-N 2.99Å; A67-G69 PolarHBondContact O-N 3.37Å
68	L	97.4	Very high	98.1	Very high	135 Å²	135	55.5 Å²	55.5	71%	0.707	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	6.4	170.6	-67.6	172.9	0	0	0	113.6	S64 W65 I66 N70	S64-L68 WeakPolarHBondContact O-CG 3.41Å; S64-L68 PolarHBondContact O-N 3.15Å; W65-L68 PolarHBondContact O-N 3.29Å; I66-L68 PolarHBondContact O-N 2.98Å; L68-N70 VanDerWaalsContact C-N 3.35Å; L68-N70 WeakPolarHBondContact CB-ND2 3.27Å
69	G	97.3	Very high	98	Very high	71 Å²	71	55.3 Å²	55.3	73%	0.732	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	0.2	-180	0	0	0	0	0	114.9	I66 A67	I66-G69 PolarHBondContact O-N 2.86Å; A67-G69 PolarHBondContact O-N 3.37Å
70	N	97.3	Very high	98	Very high	59 Å²	59	52.4 Å²	52.4	32%	0.316	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-76.3	156.4	-178.1	-58.3	-72.8	0	0	0	112.7	W65 L68	W65-N70 HydrophobicContact CD2-CB 3.69Å; W65-N70 HydrophobicContact CE3-CB 4.22Å; W65-N70 HydrophobicContact CG-CB 4.16Å; W65-N70 HydrophobicContact CH2-CB 4.07Å; W65-N70 HydrophobicContact CZ2-CB 3.48Å; W65-N70 VanDerWaalsContact CZ2-CB 3.48Å; W65-N70 HydrophobicContact CZ3-CB 4.4Å; W65-N70 WeakPolarHBondContact CZ3-ND2 3.38Å; W65-N70 WeakPolarHBondContact O-CB 3.5Å; W65-N70 PolarHBondContact O-ND2 2.73Å; W65-N70 VanDerWaalsContact O-ND2 3.13Å; L68-N70 VanDerWaalsContact C-N 3.35Å; L68-N70 WeakPolarHBondContact CB-ND2 3.27Å
71	R	95.9	Very high	97.8	Very high	176 Å²	176	47.8 Å²	47.8	66%	0.664	26%	0.262	S	S	*	.	P	Polyproline II helix	trans	-64.2	141.7	172.3	-67.1	-179.3	179.8	169.9	0.1	110.7	W65	W65-R71 PolarHBondContact NE1-O 2.97Å
72	R	97.6	Very high	97.5	Very high	127 Å²	127	53 Å²	53	48%	0.479	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-59.2	135.6	173.3	-179.8	179.7	-65.2	-111.9	10.5	110	I66 G101 C103	I66-R72 HydrophobicContact CD1-CB 3.97Å; I66-R72 HydrophobicContact CD1-CG 4.01Å; I66-R72 HydrophobicContact CG1-CB 4.31Å; R72-G101 WeakPolarHBondContact CD-O 3.45Å; R72-G101 VanDerWaalsContact CG-O 3.27Å; R72-G101 WeakPolarHBondContact CG-O 3.14Å; R72-G101 PolarHBondContact NH1-O 3.44Å; R72-C103 WeakPolarHBondContact CD-SG 3.38Å
73	P	98.4	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58.4	144.5	177.2	-24.7	34.9	0	0	0	112.3	V62 I102 C103 S132 T329 L330 A333	V62-P73 HydrophobicContact CG2-CG 4.45Å; P73-I102 HydrophobicContact CB-CG1 4.17Å; P73-I102 HydrophobicContact CB-CG2 4.46Å; P73-C103 PolarHBondContact O-N 3.44Å; P73-S132 WeakPolarHBondContact CA-OG 3.31Å; P73-T329 HydrophobicContact CB-CG2 4.39Å; P73-L330 HydrophobicContact CG-CD1 3.94Å; P73-A333 HydrophobicContact CB-CB 3.61Å; P73-A333 HydrophobicContact CG-CB 3.68Å
74	H	98.6	Very high	96.6	Very high	39 Å²	39	55.9 Å²	55.9	18%	0.181	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	129	179	-162.6	129.3	0	0	0	111.1	C103 E105 R130 S132 G133	H74-C103 CarbonylContact C-O 3.09Å; H74-C103 WeakPolarHBondContact CA-O 3.42Å; H74-C103 HydrophobicContact CB-CB 4.32Å; H74-E105 IonicContact NE2-OE1 2.71Å; H74-R130 WeakPolarHBondContact CB-O 3.27Å; H74-S132 PolarHBondContact N-OG 2.97Å; H74-S132 WeakPolarHBondContact O-CA 3.35Å; H74-S132 WeakPolarHBondContact O-CB 3.47Å; H74-S132 PolarHBondContact O-N 3.3Å; H74-G133 PolarHBondContact O-N 2.82Å
75	L	98.7	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110.5	175.4	176.4	58	0	0	0	111.4	I77 I102 C103 S104 E105 G133 L135 V159 L325 L326 T329	L75-I77 HydrophobicContact CD2-CD1 4.19Å; L75-I77 HydrophobicContact CD2-CG1 4.33Å; L75-I77 HydrophobicContact CG-CD1 4.33Å; L75-I77 HydrophobicContact CG-CG1 3.98Å; L75-I102 HydrophobicContact CB-CG2 4.17Å; L75-C103 PolarHBondContact N-O 2.7Å; L75-S104 WeakPolarHBondContact O-CA 3.4Å; L75-S104 WeakPolarHBondContact O-CB 3.5Å; L75-E105 PolarHBondContact O-N 3.13Å; L75-E105 VanDerWaalsContact O-N 3.16Å; L75-G133 WeakPolarHBondContact CA-O 3.33Å; L75-L135 HydrophobicContact CD1-CB 4.36Å; L75-V159 HydrophobicContact CD1-CG2 3.71Å; L75-L325 HydrophobicContact CD2-CD2 4.35Å; L75-L325 HydrophobicContact CD2-CG 4.46Å; L75-L326 HydrophobicContact CD2-CD2 4.08Å; L75-T329 HydrophobicContact CB-CG2 3.99Å
76	S	98.6	Very high	95.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122	176	-54.5	0	0	0	0	109.9	E105 V131 G133 I134 L135	S76-E105 VanDerWaalsContact CB-OE1 3.32Å; S76-E105 WeakPolarHBondContact CB-OE1 3.46Å; S76-E105 PolarHBondContact OG-OE1 3.44Å; S76-V131 WeakPolarHBondContact OG-CG2 3.46Å; S76-G133 PolarHBondContact N-O 2.83Å; S76-I134 WeakPolarHBondContact O-CA 3.4Å; S76-L135 PolarHBondContact O-N 3.17Å
77	I	98.4	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.2	-177.2	-59.1	175.2	0	0	0	109.6	L75 V90 K93 I94 E105 L106 I107 L135	L75-I77 HydrophobicContact CD2-CD1 4.19Å; L75-I77 HydrophobicContact CD2-CG1 4.33Å; L75-I77 HydrophobicContact CG-CD1 4.33Å; L75-I77 HydrophobicContact CG-CG1 3.98Å; I77-V90 HydrophobicContact CG2-CG1 3.95Å; I77-V90 HydrophobicContact CG2-CG2 3.98Å; I77-K93 HydrophobicContact CD1-CB 4Å; I77-K93 HydrophobicContact CD1-CD 4.5Å; I77-I94 HydrophobicContact CD1-CG1 3.94Å; I77-E105 PolarHBondContact N-O 3.12Å; I77-L106 HydrophobicContact CB-CD1 4.38Å; I77-L106 HydrophobicContact CG2-CD1 4.12Å; I77-L106 WeakPolarHBondContact O-CA 3.42Å; I77-L106 WeakPolarHBondContact O-CD1 3.42Å; I77-I107 PolarHBondContact O-N 3.39Å; I77-L135 CarbonylContact C-O 3.56Å; I77-L135 WeakPolarHBondContact CA-O 3.24Å; I77-L135 HydrophobicContact CG2-CD2 3.87Å
78	I	98.4	Very high	94.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	127	170.8	-56.4	172	0	0	0	108.3	V80 I107 L118 I121 T122 L125 L135 V136 Q137	I78-V80 HydrophobicContact CG2-CG2 4.39Å; I78-I107 WeakPolarHBondContact CA-O 3.4Å; I78-I107 HydrophobicContact CG1-CB 4.34Å; I78-I107 HydrophobicContact CG1-CD1 4.38Å; I78-L118 HydrophobicContact CG2-CD2 4.02Å; I78-I121 HydrophobicContact CD1-CB 4.48Å; I78-I121 HydrophobicContact CD1-CG2 3.67Å; I78-I121 HydrophobicContact CG1-CG2 4.21Å; I78-T122 HydrophobicContact CD1-CG2 4.04Å; I78-L125 HydrophobicContact CD1-CD1 3.96Å; I78-L125 HydrophobicContact CG1-CD1 4.26Å; I78-L135 PolarHBondContact N-O 3.1Å; I78-V136 HydrophobicContact CB-CG2 4.13Å; I78-V136 HydrophobicContact CD1-CG2 3.93Å; I78-V136 HydrophobicContact CG1-CG2 4.48Å; I78-Q137 PolarHBondContact O-N 3.44Å
79	L	97.9	Very high	94.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.8	175.3	175	59.5	0	0	0	109.4	V90 L106 I107 L108 K109 Q137	L79-V90 HydrophobicContact CD1-CG2 4.32Å; L79-V90 HydrophobicContact CD2-CB 4.35Å; L79-V90 HydrophobicContact CD2-CG1 4.43Å; L79-V90 HydrophobicContact CD2-CG2 4.22Å; L79-L106 HydrophobicContact CB-CD1 3.77Å; L79-L106 HydrophobicContact CD2-CD1 4.47Å; L79-I107 PolarHBondContact N-O 3.13Å; L79-L108 HydrophobicContact CB-CD1 4.21Å; L79-L108 HydrophobicContact CD2-CD1 3.97Å; L79-L108 HydrophobicContact CG-CD1 3.91Å; L79-L108 WeakPolarHBondContact O-CA 3.43Å; L79-K109 PolarHBondContact O-N 3.39Å; L79-Q137 HydrophobicContact CD1-CB 4Å; L79-Q137 HydrophobicContact CD1-CG 3.91Å
80	V	97.8	Very high	94.3	Very high	10 Å²	10	44 Å²	44	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.4	179.8	-176.7	0	0	0	0	110.2	I78 K109 V113 L118 L140 P141	I78-V80 HydrophobicContact CG2-CG2 4.39Å; V80-K109 WeakPolarHBondContact CA-O 3.4Å; V80-K109 HydrophobicContact CG2-CB 4.42Å; V80-V113 HydrophobicContact CB-CG1 4.47Å; V80-V113 HydrophobicContact CG1-CG1 3.49Å; V80-V113 VanDerWaalsContact CG1-CG1 3.49Å; V80-V113 HydrophobicContact CG2-CG1 4.1Å; V80-L118 HydrophobicContact CG2-CD1 4.21Å; V80-L118 HydrophobicContact CG2-CD2 3.82Å; V80-L140 HydrophobicContact CB-CD2 3.92Å; V80-L140 HydrophobicContact CG2-CD2 3.65Å; V80-P141 HydrophobicContact CG1-CG 3.61Å
81	G	94.9	Very high	94.2	Very high	8 Å²	8	48.4 Å²	48.4	8%	0.082	23%	0.232	C	C	.	.	S	Bend	trans	72.2	-170.1	176.7	0	0	0	0	0	115.5	H87 K109	G81-H87 PolarHBondContact O-NE2 2.97Å; G81-H87 VanDerWaalsContact O-NE2 3.13Å; G81-K109 PolarHBondContact N-O 3.29Å
82	D	91.5	Very high	94.1	Very high	124 Å²	124	43.8 Å²	43.8	66%	0.663	22%	0.22	S	C	*	.			trans	-113.1	22.9	-161.2	-61.9	-63.4	0	0	0	114.5	P84 H87	D82-P84 WeakPolarHBondContact O-CD 3.28Å; D82-P84 VanDerWaalsContact O-N 3.12Å; D82-H87 IonicContact OD1-NE2 2.82Å
83	N	89.6	Confident	94	Very high	72 Å²	72	38.6 Å²	38.6	39%	0.385	20%	0.201	S	C	.	.			trans	-59.9	115	178.7	-176.3	-34.7	0	0	0	110.9	A85 S86 H87	N83-A85 PolarHBondContact O-N 3.06Å; N83-A85 WeakPolarHBondContact OD1-CB 3.41Å; N83-A85 PolarHBondContact OD1-N 3Å; N83-S86 PolarHBondContact O-N 2.81Å; N83-S86 VanDerWaalsContact O-N 3.08Å; N83-H87 PolarHBondContact O-CD2 2.95Å; N83-H87 PolarHBondContact O-N 3.35Å
84	P	88	Confident	93.9	Very high	99 Å²	99	41 Å²	41	64%	0.643	21%	0.213	S	C	*	.	H	α-helix	trans	-62.9	-28	-173.6	-25.3	35.9	0	0	0	114.2	D82 T88	D82-P84 WeakPolarHBondContact O-CD 3.28Å; D82-P84 VanDerWaalsContact O-N 3.12Å; P84-T88 WeakPolarHBondContact O-CB 3.27Å; P84-T88 PolarHBondContact O-N 2.85Å; P84-T88 VanDerWaalsContact O-N 3.16Å; P84-T88 PolarHBondContact O-OG1 3.08Å
85	A	86.1	Confident	93.8	Very high	25 Å²	25	46.6 Å²	46.6	21%	0.207	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-50.1	174	0	0	0	0	0	110.2	N83 H87 T88 Y89 Y283	N83-A85 PolarHBondContact O-N 3.06Å; N83-A85 WeakPolarHBondContact OD1-CB 3.41Å; N83-A85 PolarHBondContact OD1-N 3Å; A85-H87 PolarHBondContact O-N 2.86Å; A85-T88 WeakPolarHBondContact O-CA 3.46Å; A85-T88 WeakPolarHBondContact O-CB 3.16Å; A85-T88 PolarHBondContact O-N 3.04Å; A85-Y89 HydrophobicContact CB-CE2 4.34Å; A85-Y89 WeakPolarHBondContact O-CD2 3.16Å; A85-Y89 PolarHBondContact O-N 2.78Å; A85-Y283 HydrophobicContact CB-CE2 4.18Å
86	S	89.4	Confident	93.8	Very high	8 Å²	8	47.1 Å²	47.1	6%	0.056	24%	0.242	C	C	.	.	H	α-helix	trans	-56.7	-46.4	177.2	-56.5	0	0	0	0	112.1	N83 T88 Y89 V90	N83-S86 PolarHBondContact O-N 2.81Å; N83-S86 VanDerWaalsContact O-N 3.08Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 2.98Å; S86-Y89 PolarHBondContact O-N 2.85Å; S86-V90 WeakPolarHBondContact O-CB 3.39Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 2.95Å
87	H	91.5	Very high	93.8	Very high	44 Å²	44	47.1 Å²	47.1	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-40.1	173.4	-86.9	-85.7	0	0	0	112.8	G81 D82 N83 A85 R91	G81-H87 PolarHBondContact O-NE2 2.97Å; G81-H87 VanDerWaalsContact O-NE2 3.13Å; D82-H87 IonicContact OD1-NE2 2.82Å; N83-H87 PolarHBondContact O-CD2 2.95Å; N83-H87 PolarHBondContact O-N 3.35Å; A85-H87 PolarHBondContact O-N 2.86Å; H87-R91 VanDerWaalsContact O-CB 3.32Å; H87-R91 WeakPolarHBondContact O-CB 3.17Å; H87-R91 PolarHBondContact O-N 3.18Å
88	T	89.6	Confident	93.7	Very high	63 Å²	63	51.3 Å²	51.3	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-70.5	-41.7	178.1	-59.4	0	0	0	0	112	P84 A85 S86 N92	P84-T88 WeakPolarHBondContact O-CB 3.27Å; P84-T88 PolarHBondContact O-N 2.85Å; P84-T88 VanDerWaalsContact O-N 3.16Å; P84-T88 PolarHBondContact O-OG1 3.08Å; A85-T88 WeakPolarHBondContact O-CA 3.46Å; A85-T88 WeakPolarHBondContact O-CB 3.16Å; A85-T88 PolarHBondContact O-N 3.04Å; S86-T88 VanDerWaalsContact C-N 3.28Å; S86-T88 PolarHBondContact O-N 2.98Å; T88-N92 VanDerWaalsContact O-CG 3.28Å; T88-N92 PolarHBondContact O-N 2.79Å; T88-N92 VanDerWaalsContact O-N 3.1Å; T88-N92 PolarHBondContact O-ND2 2.94Å
89	Y	88.7	Confident	93.7	Very high	67 Å²	67	54 Å²	54	26%	0.263	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-46.2	174.9	-77.1	-66.7	0	0	0	112.1	A85 S86 N92 K93 I281	A85-Y89 HydrophobicContact CB-CE2 4.34Å; A85-Y89 WeakPolarHBondContact O-CD2 3.16Å; A85-Y89 PolarHBondContact O-N 2.78Å; S86-Y89 PolarHBondContact O-N 2.85Å; Y89-N92 PolarHBondContact O-N 2.63Å; Y89-K93 WeakPolarHBondContact O-CG 3.46Å; Y89-K93 PolarHBondContact O-N 2.73Å; Y89-I281 WeakPolarHBondContact OH-CG2 3.38Å
90	V	94.5	Very high	93.7	Very high	2 Å²	2	54 Å²	54	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-44.8	178.2	168	0	0	0	0	111.5	I77 L79 S86 N92 K93 I94 L106 Q137	I77-V90 HydrophobicContact CG2-CG1 3.95Å; I77-V90 HydrophobicContact CG2-CG2 3.98Å; L79-V90 HydrophobicContact CD1-CG2 4.32Å; L79-V90 HydrophobicContact CD2-CB 4.35Å; L79-V90 HydrophobicContact CD2-CG1 4.43Å; L79-V90 HydrophobicContact CD2-CG2 4.22Å; S86-V90 WeakPolarHBondContact O-CB 3.39Å; S86-V90 WeakPolarHBondContact O-CG2 3.36Å; S86-V90 PolarHBondContact O-N 2.95Å; V90-N92 VanDerWaalsContact C-N 3.27Å; V90-N92 PolarHBondContact O-N 3.47Å; V90-K93 WeakPolarHBondContact O-CB 3.43Å; V90-K93 PolarHBondContact O-N 3.46Å; V90-K93 VanDerWaalsContact O-N 3.14Å; V90-I94 HydrophobicContact CG1-CD1 3.78Å; V90-I94 HydrophobicContact CG1-CG1 4.47Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.42Å; V90-L106 HydrophobicContact CG1-CD1 3.64Å; V90-L106 HydrophobicContact CG1-CD2 4.01Å; V90-L106 HydrophobicContact CG1-CG 4.41Å; V90-Q137 HydrophobicContact CG2-CB 3.93Å; V90-Q137 HydrophobicContact CG2-CG 3.72Å
91	R	94.4	Very high	93.7	Very high	150 Å²	150	54.2 Å²	54.2	57%	0.566	30%	0.298	S	S	*	.	H	α-helix	trans	-57	-40.4	174.2	-171.8	-176.7	-61.6	118.2	2.9	112.2	H87 K95	H87-R91 VanDerWaalsContact O-CB 3.32Å; H87-R91 WeakPolarHBondContact O-CB 3.17Å; H87-R91 PolarHBondContact O-N 3.18Å; R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 3.19Å
92	N	92.7	Very high	93.9	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	30%	0.295	S	S	.	.	H	α-helix	trans	-69	-39.7	176.8	-71.3	-24.3	0	0	0	112.4	T88 Y89 V90 K95 A96	T88-N92 VanDerWaalsContact O-CG 3.28Å; T88-N92 PolarHBondContact O-N 2.79Å; T88-N92 VanDerWaalsContact O-N 3.1Å; T88-N92 PolarHBondContact O-ND2 2.94Å; Y89-N92 PolarHBondContact O-N 2.63Å; V90-N92 VanDerWaalsContact C-N 3.27Å; V90-N92 PolarHBondContact O-N 3.47Å; N92-K95 PolarHBondContact O-N 3.23Å; N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.93Å
93	K	96.1	Very high	94.2	Very high	17 Å²	17	50.9 Å²	50.9	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-50.5	173.6	-70.7	173	173.2	-179.4	0	111.3	I77 Y89 V90 K95 A96 A97 L135 V322 L325	I77-K93 HydrophobicContact CD1-CB 4Å; I77-K93 HydrophobicContact CD1-CD 4.5Å; Y89-K93 WeakPolarHBondContact O-CG 3.46Å; Y89-K93 PolarHBondContact O-N 2.73Å; V90-K93 WeakPolarHBondContact O-CB 3.43Å; V90-K93 PolarHBondContact O-N 3.46Å; V90-K93 VanDerWaalsContact O-N 3.14Å; K93-K95 PolarHBondContact O-N 3.31Å; K93-A96 PolarHBondContact O-N 3.12Å; K93-A97 WeakPolarHBondContact O-CB 3.3Å; K93-A97 PolarHBondContact O-N 3.24Å; K93-L135 HydrophobicContact CD-CD1 4.36Å; K93-V322 HydrophobicContact CG-CG1 4.45Å; K93-L325 HydrophobicContact CB-CD2 4.47Å; K93-L325 HydrophobicContact CD-CD2 3.63Å; K93-L325 HydrophobicContact CG-CD2 3.84Å
94	I	97.1	Very high	94.6	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.256	28%	0.275	S	S	.	.	H	α-helix	trans	-60.2	-46.9	178.5	-67.3	166.5	0	0	0	111.4	I77 V90 A96 A97 S98 L106	I77-I94 HydrophobicContact CD1-CG1 3.94Å; V90-I94 HydrophobicContact CG1-CD1 3.78Å; V90-I94 HydrophobicContact CG1-CG1 4.47Å; V90-I94 WeakPolarHBondContact O-CG1 3.45Å; V90-I94 PolarHBondContact O-N 3.42Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.91Å; I94-A97 PolarHBondContact O-N 3.43Å; I94-S98 PolarHBondContact O-N 2.84Å; I94-L106 HydrophobicContact CD1-CB 4Å; I94-L106 HydrophobicContact CD1-CD2 4.15Å
95	K	96.9	Very high	95	Very high	158 Å²	158	47.9 Å²	47.9	69%	0.687	26%	0.26	S	S	*	.	H	α-helix	trans	-60.3	-41.5	177.7	-175.9	177.2	179.1	179	0	111.9	R91 N92 K93 A99	R91-K95 WeakPolarHBondContact O-CB 3.44Å; R91-K95 PolarHBondContact O-N 3.19Å; N92-K95 PolarHBondContact O-N 3.23Å; K93-K95 PolarHBondContact O-N 3.31Å; K95-A99 WeakPolarHBondContact O-CB 2.96Å; K95-A99 PolarHBondContact O-N 3.19Å; K95-A99 VanDerWaalsContact O-N 3.14Å
96	A	97.3	Very high	95.6	Very high	11 Å²	11	50.2 Å²	50.2	9%	0.091	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-40.1	178.2	0	0	0	0	0	112.2	N92 K93 I94 A99 V100 V322 L326	N92-A96 WeakPolarHBondContact O-CB 3.32Å; N92-A96 PolarHBondContact O-N 2.93Å; K93-A96 PolarHBondContact O-N 3.12Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.91Å; A96-A99 PolarHBondContact O-N 2.89Å; A96-V100 PolarHBondContact O-N 2.79Å; A96-V100 VanDerWaalsContact O-N 3.13Å; A96-V322 HydrophobicContact CB-CG1 3.68Å; A96-L326 VanDerWaalsContact C-CD1 3.48Å; A96-L326 HydrophobicContact CB-CD1 3.62Å
97	A	98.3	Very high	96	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.6	-51.8	174.6	0	0	0	0	0	111.4	K93 I94 A99 V100 G101 I102 L326	K93-A97 WeakPolarHBondContact O-CB 3.3Å; K93-A97 PolarHBondContact O-N 3.24Å; I94-A97 PolarHBondContact O-N 3.43Å; A97-A99 VanDerWaalsContact C-N 3.34Å; A97-A99 PolarHBondContact O-N 3.35Å; A97-V100 VanDerWaalsContact O-CG2 3.27Å; A97-V100 WeakPolarHBondContact O-CG2 3.45Å; A97-V100 PolarHBondContact O-N 2.95Å; A97-G101 PolarHBondContact O-N 3.02Å; A97-G101 VanDerWaalsContact O-N 3.09Å; A97-I102 CarbonylContact C-O 3.51Å; A97-I102 HydrophobicContact CB-CB 4.17Å; A97-I102 HydrophobicContact CB-CG2 4.13Å; A97-I102 PolarHBondContact O-N 2.95Å; A97-L326 HydrophobicContact CB-CD2 3.69Å
98	S	97.8	Very high	96.3	Very high	87 Å²	87	53.8 Å²	53.8	61%	0.608	29%	0.288	S	S	*	.	H	α-helix	trans	-57.4	-44.1	176.3	-179.5	0	0	0	0	112.3	I94 V100 G101	I94-S98 PolarHBondContact O-N 2.84Å; S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact O-N 3.12Å; S98-G101 PolarHBondContact O-N 3.38Å
99	A	97.6	Very high	96.7	Very high	57 Å²	57	53.1 Å²	53.1	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-63.2	-31.5	179.3	0	0	0	0	0	114.1	Q59 K95 A96 A97	Q59-A99 PolarHBondContact NE2-O 2.88Å; K95-A99 WeakPolarHBondContact O-CB 2.96Å; K95-A99 PolarHBondContact O-N 3.19Å; K95-A99 VanDerWaalsContact O-N 3.14Å; A96-A99 PolarHBondContact O-N 2.89Å; A97-A99 VanDerWaalsContact C-N 3.34Å; A97-A99 PolarHBondContact O-N 3.35Å
100	V	98.4	Very high	97.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-90.4	-0.5	173.7	-54.8	0	0	0	0	113.4	Q55 I58 Q59 A96 A97 S98 I102 L326	Q55-V100 HydrophobicContact CB-CG1 3.73Å; Q55-V100 HydrophobicContact CG-CG1 3.93Å; Q55-V100 WeakPolarHBondContact O-CG1 3.43Å; I58-V100 HydrophobicContact CB-CB 4.41Å; I58-V100 HydrophobicContact CB-CG1 4.41Å; I58-V100 HydrophobicContact CG2-CB 3.92Å; I58-V100 HydrophobicContact CG2-CG1 4.35Å; I58-V100 HydrophobicContact CG2-CG2 3.81Å; Q59-V100 WeakPolarHBondContact CA-O 3.12Å; Q59-V100 HydrophobicContact CB-CB 4.23Å; A96-V100 PolarHBondContact O-N 2.79Å; A96-V100 VanDerWaalsContact O-N 3.13Å; A97-V100 VanDerWaalsContact O-CG2 3.27Å; A97-V100 WeakPolarHBondContact O-CG2 3.45Å; A97-V100 PolarHBondContact O-N 2.95Å; S98-V100 VanDerWaalsContact C-N 3.31Å; S98-V100 PolarHBondContact O-N 3.12Å; V100-I102 HydrophobicContact CG2-CB 4.22Å; V100-I102 HydrophobicContact CG2-CD1 3.72Å; V100-I102 HydrophobicContact CG2-CG1 3.84Å; V100-L326 HydrophobicContact CG2-CB 4.5Å; V100-L326 HydrophobicContact CG2-CD1 4.01Å
101	G	98.1	Very high	97.2	Very high	15 Å²	15	54.8 Å²	54.8	16%	0.155	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	14.6	178	0	0	0	0	0	115.1	R72 A97 S98	R72-G101 WeakPolarHBondContact CD-O 3.45Å; R72-G101 VanDerWaalsContact CG-O 3.27Å; R72-G101 WeakPolarHBondContact CG-O 3.14Å; R72-G101 PolarHBondContact NH1-O 3.44Å; A97-G101 PolarHBondContact O-N 3.02Å; A97-G101 VanDerWaalsContact O-N 3.09Å; S98-G101 PolarHBondContact O-N 3.38Å
102	I	98.6	Very high	97.3	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	31%	0.311	C	S	.	.			trans	-82	134.7	171.7	-69.3	173.8	0	0	0	108.6	I58 V62 P73 L75 A97 V100 L326 T329	I58-I102 HydrophobicContact CG2-CD1 4.15Å; V62-I102 HydrophobicContact CG2-CD1 4.44Å; V62-I102 HydrophobicContact CG2-CG1 3.91Å; P73-I102 HydrophobicContact CB-CG1 4.17Å; P73-I102 HydrophobicContact CB-CG2 4.46Å; L75-I102 HydrophobicContact CB-CG2 4.17Å; A97-I102 CarbonylContact C-O 3.51Å; A97-I102 HydrophobicContact CB-CB 4.17Å; A97-I102 HydrophobicContact CB-CG2 4.13Å; A97-I102 PolarHBondContact O-N 2.95Å; V100-I102 HydrophobicContact CG2-CB 4.22Å; V100-I102 HydrophobicContact CG2-CD1 3.72Å; V100-I102 HydrophobicContact CG2-CG1 3.84Å; I102-L326 HydrophobicContact CD1-CB 4.14Å; I102-L326 HydrophobicContact CD1-CD2 4.21Å; I102-T329 HydrophobicContact CD1-CG2 4.26Å; I102-T329 HydrophobicContact CG2-CG2 4Å
103	C	97.9	Very high	97.6	Very high	56 Å²	56	50 Å²	50	38%	0.378	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.5	169	-80	0	0	0	0	109.7	R72 P73 H74 L75	R72-C103 WeakPolarHBondContact CD-SG 3.38Å; P73-C103 PolarHBondContact O-N 3.44Å; H74-C103 CarbonylContact C-O 3.09Å; H74-C103 WeakPolarHBondContact CA-O 3.42Å; H74-C103 HydrophobicContact CB-CB 4.32Å; L75-C103 PolarHBondContact N-O 2.7Å
104	S	97.4	Very high	97.7	Very high	36 Å²	36	51.6 Å²	51.6	25%	0.252	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.1	173.6	62.1	0	0	0	0	112.3	L75	L75-S104 WeakPolarHBondContact O-CA 3.4Å; L75-S104 WeakPolarHBondContact O-CB 3.5Å
105	E	97.2	Very high	97.7	Very high	72 Å²	72	52.1 Å²	52.1	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	159.4	172.1	67.6	-174.5	163.6	0	0	111.4	H74 L75 S76 I77	H74-E105 IonicContact NE2-OE1 2.71Å; L75-E105 PolarHBondContact O-N 3.13Å; L75-E105 VanDerWaalsContact O-N 3.16Å; S76-E105 VanDerWaalsContact CB-OE1 3.32Å; S76-E105 WeakPolarHBondContact CB-OE1 3.46Å; S76-E105 PolarHBondContact OG-OE1 3.44Å; I77-E105 PolarHBondContact N-O 3.12Å
106	L	97.9	Very high	97.8	Very high	74 Å²	74	51.4 Å²	51.4	39%	0.387	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.3	177.1	177	55.3	0	0	0	109.7	I77 L79 V90 I94	I77-L106 HydrophobicContact CB-CD1 4.38Å; I77-L106 HydrophobicContact CG2-CD1 4.12Å; I77-L106 WeakPolarHBondContact O-CA 3.42Å; I77-L106 WeakPolarHBondContact O-CD1 3.42Å; L79-L106 HydrophobicContact CB-CD1 3.77Å; L79-L106 HydrophobicContact CD2-CD1 4.47Å; V90-L106 HydrophobicContact CG1-CD1 3.64Å; V90-L106 HydrophobicContact CG1-CD2 4.01Å; V90-L106 HydrophobicContact CG1-CG 4.41Å; I94-L106 HydrophobicContact CD1-CB 4Å; I94-L106 HydrophobicContact CD1-CD2 4.15Å
107	I	98.3	Very high	97.8	Very high	36 Å²	36	54.3 Å²	54.3	19%	0.185	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	96.8	172.2	-59.5	167.7	0	0	0	106.7	I77 I78 L79 K109 I121 L125	I77-I107 PolarHBondContact O-N 3.39Å; I78-I107 WeakPolarHBondContact CA-O 3.4Å; I78-I107 HydrophobicContact CG1-CB 4.34Å; I78-I107 HydrophobicContact CG1-CD1 4.38Å; L79-I107 PolarHBondContact N-O 3.13Å; I107-K109 HydrophobicContact CG2-CG 4.38Å; I107-I121 HydrophobicContact CD1-CG2 3.97Å; I107-I121 HydrophobicContact CG2-CG2 4.33Å; I107-L125 HydrophobicContact CD1-CD1 3.92Å; I107-L125 HydrophobicContact CD1-CD2 4.13Å; I107-L125 HydrophobicContact CD1-CG 4.41Å
108	L	97.7	Very high	97.9	Very high	91 Å²	91	54.3 Å²	54.3	48%	0.476	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.5	175.4	-176.5	65.4	0	0	0	109.8	L79	L79-L108 HydrophobicContact CB-CD1 4.21Å; L79-L108 HydrophobicContact CD2-CD1 3.97Å; L79-L108 HydrophobicContact CG-CD1 3.91Å; L79-L108 WeakPolarHBondContact O-CA 3.43Å
109	K	98.1	Very high	97.9	Very high	50 Å²	50	52.3 Å²	52.3	22%	0.217	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.7	175.3	-70.1	-70.6	172.2	159.4	0	110.9	L79 V80 G81 I107 V113 E117 I121	L79-K109 PolarHBondContact O-N 3.39Å; V80-K109 WeakPolarHBondContact CA-O 3.4Å; V80-K109 HydrophobicContact CG2-CB 4.42Å; G81-K109 PolarHBondContact N-O 3.29Å; I107-K109 HydrophobicContact CG2-CG 4.38Å; K109-V113 HydrophobicContact CB-CB 4.14Å; K109-V113 HydrophobicContact CB-CG1 4.32Å; K109-V113 HydrophobicContact CB-CG2 4.07Å; K109-V113 HydrophobicContact CD-CG2 4.26Å; K109-V113 HydrophobicContact CG-CG2 4.26Å; K109-E117 WeakPolarHBondContact CD-OE1 3.27Å; K109-E117 IonicContact NZ-OE1 3.29Å; K109-E117 PolarHBondContact NZ-OE1 2.98Å; K109-I121 HydrophobicContact CD-CD1 4.22Å; K109-I121 VanDerWaalsContact CE-CD1 3.43Å; K109-I121 HydrophobicContact CG-CD1 4.24Å
110	P	97.5	Very high	97.9	Very high	68 Å²	68	53.7 Å²	53.7	44%	0.442	30%	0.298	S	S	.	.			trans	-69.1	159.2	-179.8	33	-37.9	0	0	0	110.9	N112 V113	P110-N112 VanDerWaalsContact CB-OD1 3.27Å; P110-N112 WeakPolarHBondContact CB-OD1 3.48Å; P110-N112 VanDerWaalsContact CG-OD1 3.27Å; P110-N112 WeakPolarHBondContact CG-OD1 3.44Å; P110-N112 PolarHBondContact O-N 3.38Å; P110-V113 WeakPolarHBondContact O-CB 3.25Å; P110-V113 WeakPolarHBondContact O-CG1 3.41Å; P110-V113 PolarHBondContact O-N 3.36Å; P110-V113 VanDerWaalsContact O-N 3.11Å
111	G	96.5	Very high	97.9	Very high	35 Å²	35	54.4 Å²	54.4	36%	0.361	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.2	-178.1	0	0	0	0	0	115.5	P141 H143	G111-P141 WeakPolarHBondContact O-CG 3.4Å; G111-H143 PolarHBondContact O-CE1 3.45Å
112	N	96.6	Very high	97.9	Very high	127 Å²	127	53.7 Å²	53.7	68%	0.679	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	11.2	177.2	69.2	-33.9	0	0	0	113.8	P110	P110-N112 VanDerWaalsContact CB-OD1 3.27Å; P110-N112 WeakPolarHBondContact CB-OD1 3.48Å; P110-N112 VanDerWaalsContact CG-OD1 3.27Å; P110-N112 WeakPolarHBondContact CG-OD1 3.44Å; P110-N112 PolarHBondContact O-N 3.38Å
113	V	97.8	Very high	97.9	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	32%	0.315	C	S	.	.			trans	-53.3	141.6	173.8	68.7	0	0	0	0	111.1	V80 K109 P110 E117 L118 H143	V80-V113 HydrophobicContact CB-CG1 4.47Å; V80-V113 HydrophobicContact CG1-CG1 3.49Å; V80-V113 VanDerWaalsContact CG1-CG1 3.49Å; V80-V113 HydrophobicContact CG2-CG1 4.1Å; K109-V113 HydrophobicContact CB-CB 4.14Å; K109-V113 HydrophobicContact CB-CG1 4.32Å; K109-V113 HydrophobicContact CB-CG2 4.07Å; K109-V113 HydrophobicContact CD-CG2 4.26Å; K109-V113 HydrophobicContact CG-CG2 4.26Å; P110-V113 WeakPolarHBondContact O-CB 3.25Å; P110-V113 WeakPolarHBondContact O-CG1 3.41Å; P110-V113 PolarHBondContact O-N 3.36Å; P110-V113 VanDerWaalsContact O-N 3.11Å; V113-E117 HydrophobicContact CG2-CB 4.02Å; V113-E117 HydrophobicContact CG2-CG 4.05Å; V113-E117 WeakPolarHBondContact CG2-OE2 3.49Å; V113-L118 HydrophobicContact CG1-CD1 3.86Å; V113-L118 HydrophobicContact CG1-CD2 4.08Å; V113-L118 HydrophobicContact CG1-CG 3.96Å; V113-L118 HydrophobicContact CG2-CD2 4.07Å; V113-L118 HydrophobicContact CG2-CG 3.99Å; V113-H143 PolarHBondContact O-NE2 3.2Å
114	S	98.2	Very high	97.9	Very high	50 Å²	50	61.2 Å²	61.2	35%	0.35	33%	0.327	S	S	.	.			trans	-78.5	158.8	177.6	77.4	0	0	0	0	111.6	E116 E117 L118	S114-E116 VanDerWaalsContact C-N 3.29Å; S114-E117 PolarHBondContact O-N 2.71Å; S114-E117 WeakPolarHBondContact OG-CB 3.43Å; S114-E117 PolarHBondContact OG-N 3.1Å; S114-L118 WeakPolarHBondContact O-CG 3.44Å; S114-L118 PolarHBondContact O-N 2.76Å
115	Q	98.4	Very high	98	Very high	61 Å²	61	60.1 Å²	60.1	29%	0.285	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-37.3	172.6	-175.7	175.5	-70.3	0	0	111.6	L118 L119 V144 I149	Q115-L118 PolarHBondContact O-N 2.92Å; Q115-L119 HydrophobicContact CG-CD1 4.26Å; Q115-L119 WeakPolarHBondContact O-CG 3.49Å; Q115-L119 PolarHBondContact O-N 2.82Å; Q115-V144 HydrophobicContact CB-CG1 4.38Å; Q115-V144 HydrophobicContact CG-CG1 4.28Å; Q115-I149 HydrophobicContact CG-CD1 3.9Å
116	E	98.4	Very high	98.1	Very high	144 Å²	144	58.1 Å²	58.1	67%	0.673	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-47.9	176.2	-174.9	174.9	-155.2	0	0	111.4	S114 L118 L119 D120	S114-E116 VanDerWaalsContact C-N 3.29Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.24Å; E116-L119 WeakPolarHBondContact O-CB 3.46Å; E116-L119 PolarHBondContact O-N 2.85Å; E116-D120 PolarHBondContact O-N 3.27Å
117	E	98.4	Very high	98.1	Very high	71 Å²	71	62.2 Å²	62.2	33%	0.332	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-35.4	177.7	-173.2	-174.9	161.3	0	0	112	K109 V113 S114 I121	K109-E117 WeakPolarHBondContact CD-OE1 3.27Å; K109-E117 IonicContact NZ-OE1 3.29Å; K109-E117 PolarHBondContact NZ-OE1 2.98Å; V113-E117 HydrophobicContact CG2-CB 4.02Å; V113-E117 HydrophobicContact CG2-CG 4.05Å; V113-E117 WeakPolarHBondContact CG2-OE2 3.49Å; S114-E117 PolarHBondContact O-N 2.71Å; S114-E117 WeakPolarHBondContact OG-CB 3.43Å; S114-E117 PolarHBondContact OG-N 3.1Å; E117-I121 HydrophobicContact CG-CD1 4.3Å; E117-I121 WeakPolarHBondContact O-CD1 3.35Å; E117-I121 WeakPolarHBondContact O-CG1 3.11Å; E117-I121 PolarHBondContact O-N 3Å
118	L	98.4	Very high	98.1	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-68.7	-36.7	173.9	-70.1	175.2	0	0	0	112.5	I78 V80 V113 S114 Q115 E116 I121 T122 V144 I149	I78-L118 HydrophobicContact CG2-CD2 4.02Å; V80-L118 HydrophobicContact CG2-CD1 4.21Å; V80-L118 HydrophobicContact CG2-CD2 3.82Å; V113-L118 HydrophobicContact CG1-CD1 3.86Å; V113-L118 HydrophobicContact CG1-CD2 4.08Å; V113-L118 HydrophobicContact CG1-CG 3.96Å; V113-L118 HydrophobicContact CG2-CD2 4.07Å; V113-L118 HydrophobicContact CG2-CG 3.99Å; S114-L118 WeakPolarHBondContact O-CG 3.44Å; S114-L118 PolarHBondContact O-N 2.76Å; Q115-L118 PolarHBondContact O-N 2.92Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.24Å; L118-I121 PolarHBondContact O-N 2.85Å; L118-T122 PolarHBondContact O-N 2.7Å; L118-T122 PolarHBondContact O-OG1 3.5Å; L118-V144 HydrophobicContact CD1-CG1 3.8Å; L118-V144 HydrophobicContact CD1-CG2 4.16Å; L118-I149 HydrophobicContact CB-CD1 3.65Å; L118-I149 HydrophobicContact CD1-CD1 4.39Å; L118-I149 HydrophobicContact CD1-CG1 4.48Å
119	L	98.4	Very high	98	Very high	45 Å²	45	62.4 Å²	62.4	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-67.7	-44.8	175.7	-72.1	169.7	0	0	0	111.6	Q115 E116 I121 T122 D123 T148 I149	Q115-L119 HydrophobicContact CG-CD1 4.26Å; Q115-L119 WeakPolarHBondContact O-CG 3.49Å; Q115-L119 PolarHBondContact O-N 2.82Å; E116-L119 WeakPolarHBondContact O-CB 3.46Å; E116-L119 PolarHBondContact O-N 2.85Å; L119-I121 PolarHBondContact O-N 2.71Å; L119-T122 WeakPolarHBondContact CA-OG1 3.07Å; L119-T122 PolarHBondContact O-N 2.91Å; L119-T122 PolarHBondContact O-OG1 3.44Å; L119-D123 PolarHBondContact O-N 2.97Å; L119-T148 HydrophobicContact CD1-CG2 4.24Å; L119-T148 HydrophobicContact CD2-CG2 4.39Å; L119-I149 HydrophobicContact CD2-CD1 3.89Å; L119-I149 HydrophobicContact CG-CD1 3.84Å
120	D	98.6	Very high	97.9	Very high	86 Å²	86	68 Å²	68	46%	0.46	36%	0.356	S	S	.	.	H	α-helix	trans	-55.7	-39.1	174.5	-75.4	-20.4	0	0	0	112.1	E116 Q124	E116-D120 PolarHBondContact O-N 3.27Å; D120-Q124 VanDerWaalsContact O-CG 3.24Å; D120-Q124 WeakPolarHBondContact O-CG 3.31Å; D120-Q124 PolarHBondContact O-N 2.83Å; D120-Q124 PolarHBondContact O-NE2 3.18Å
121	I	98.4	Very high	97.9	Very high	16 Å²	16	65 Å²	65	8%	0.082	34%	0.336	C	S	.	.	H	α-helix	trans	-69.8	-44	176.4	-64.8	158.8	0	0	0	110.4	I78 I107 K109 E117 L118 L119 D123 Q124 L125	I78-I121 HydrophobicContact CD1-CB 4.48Å; I78-I121 HydrophobicContact CD1-CG2 3.67Å; I78-I121 HydrophobicContact CG1-CG2 4.21Å; I107-I121 HydrophobicContact CD1-CG2 3.97Å; I107-I121 HydrophobicContact CG2-CG2 4.33Å; K109-I121 HydrophobicContact CD-CD1 4.22Å; K109-I121 VanDerWaalsContact CE-CD1 3.43Å; K109-I121 HydrophobicContact CG-CD1 4.24Å; E117-I121 HydrophobicContact CG-CD1 4.3Å; E117-I121 WeakPolarHBondContact O-CD1 3.35Å; E117-I121 WeakPolarHBondContact O-CG1 3.11Å; E117-I121 PolarHBondContact O-N 3Å; L118-I121 PolarHBondContact O-N 2.85Å; L119-I121 PolarHBondContact O-N 2.71Å; I121-D123 VanDerWaalsContact C-N 3.3Å; I121-D123 PolarHBondContact O-N 3.33Å; I121-Q124 PolarHBondContact O-N 3.07Å; I121-L125 HydrophobicContact CG2-CD1 4.06Å; I121-L125 HydrophobicContact CG2-CG 4.47Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.32Å; I121-L125 PolarHBondContact O-N 3.31Å
122	T	97.9	Very high	98	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-40.1	176	47.3	0	0	0	0	111.6	I78 L118 L119 L125 N126 I153	I78-T122 HydrophobicContact CD1-CG2 4.04Å; L118-T122 PolarHBondContact O-N 2.7Å; L118-T122 PolarHBondContact O-OG1 3.5Å; L119-T122 WeakPolarHBondContact CA-OG1 3.07Å; L119-T122 PolarHBondContact O-N 2.91Å; L119-T122 PolarHBondContact O-OG1 3.44Å; T122-L125 PolarHBondContact O-N 3.21Å; T122-N126 WeakPolarHBondContact O-CB 3.47Å; T122-N126 PolarHBondContact O-N 3.38Å; T122-N126 PolarHBondContact O-ND2 3.39Å; T122-N126 PolarHBondContact O-OD1 3.04Å; T122-I153 HydrophobicContact CG2-CG1 3.96Å
123	D	98.3	Very high	98.1	Very high	87 Å²	87	58.3 Å²	58.3	47%	0.465	29%	0.294	S	S	.	.	H	α-helix	trans	-66.6	-40.3	178.1	-77.7	-16.3	0	0	0	112.8	L119 I121 L125 N126 M127	L119-D123 PolarHBondContact O-N 2.97Å; I121-D123 VanDerWaalsContact C-N 3.3Å; I121-D123 PolarHBondContact O-N 3.33Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.47Å; D123-N126 WeakPolarHBondContact O-CB 3.31Å; D123-N126 PolarHBondContact O-N 3.48Å; D123-N126 PolarHBondContact OD1-ND2 2.95Å; D123-M127 WeakPolarHBondContact O-CG 3.25Å; D123-M127 PolarHBondContact O-N 2.98Å
124	Q	98.5	Very high	98.1	Very high	133 Å²	133	58.1 Å²	58.1	62%	0.621	29%	0.293	S	S	*	.	H	α-helix	trans	-59.9	-43.7	172.1	-74.5	166.6	57.9	0	0	112	D120 I121 M127 D128	D120-Q124 VanDerWaalsContact O-CG 3.24Å; D120-Q124 WeakPolarHBondContact O-CG 3.31Å; D120-Q124 PolarHBondContact O-N 2.83Å; D120-Q124 PolarHBondContact O-NE2 3.18Å; I121-Q124 PolarHBondContact O-N 3.07Å; Q124-M127 PolarHBondContact O-N 2.83Å; Q124-D128 PolarHBondContact O-N 2.91Å; Q124-D128 VanDerWaalsContact O-N 3.12Å
125	L	98.6	Very high	98.1	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-71.3	-33.2	177.7	-65.8	173.4	0	0	0	112.6	I78 I107 I121 T122 D123 M127 D128 V131 I134 K157	I78-L125 HydrophobicContact CD1-CD1 3.96Å; I78-L125 HydrophobicContact CG1-CD1 4.26Å; I107-L125 HydrophobicContact CD1-CD1 3.92Å; I107-L125 HydrophobicContact CD1-CD2 4.13Å; I107-L125 HydrophobicContact CD1-CG 4.41Å; I121-L125 HydrophobicContact CG2-CD1 4.06Å; I121-L125 HydrophobicContact CG2-CG 4.47Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.32Å; I121-L125 PolarHBondContact O-N 3.31Å; T122-L125 PolarHBondContact O-N 3.21Å; D123-L125 VanDerWaalsContact C-N 3.34Å; D123-L125 PolarHBondContact O-N 3.47Å; L125-M127 VanDerWaalsContact C-N 3.35Å; L125-D128 PolarHBondContact O-N 3.12Å; L125-V131 HydrophobicContact CD2-CG2 3.9Å; L125-I134 HydrophobicContact CB-CD1 3.48Å; L125-I134 VanDerWaalsContact CB-CD1 3.48Å; L125-I134 HydrophobicContact CB-CG1 3.89Å; L125-I134 HydrophobicContact CD1-CG1 4.36Å; L125-I134 HydrophobicContact CD1-CG2 4.05Å; L125-K157 PolarHBondContact O-NZ 3.38Å
126	N	98.5	Very high	98	Very high	30 Å²	30	53.1 Å²	53.1	16%	0.16	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-44.7	173	-70.2	-25.3	0	0	0	110.3	T122 D123 I134 G152 A154 K157	T122-N126 WeakPolarHBondContact O-CB 3.47Å; T122-N126 PolarHBondContact O-N 3.38Å; T122-N126 PolarHBondContact O-ND2 3.39Å; T122-N126 PolarHBondContact O-OD1 3.04Å; D123-N126 WeakPolarHBondContact O-CB 3.31Å; D123-N126 PolarHBondContact O-N 3.48Å; D123-N126 PolarHBondContact OD1-ND2 2.95Å; N126-I134 WeakPolarHBondContact OD1-CD1 3.28Å; N126-G152 PolarHBondContact ND2-O 3.27Å; N126-A154 HydrophobicContact CB-CB 4.23Å; N126-A154 WeakPolarHBondContact OD1-CB 3.47Å; N126-A154 PolarHBondContact OD1-N 2.98Å; N126-K157 PolarHBondContact O-NZ 3.34Å
127	M	98.1	Very high	97.9	Very high	161 Å²	161	47.4 Å²	47.4	79%	0.793	24%	0.238	S	C	*	.	H	α-helix	trans	-78.3	-16.4	-179	-66.1	-58.1	-66	0	0	114.5	D123 Q124 L125 P129	D123-M127 WeakPolarHBondContact O-CG 3.25Å; D123-M127 PolarHBondContact O-N 2.98Å; Q124-M127 PolarHBondContact O-N 2.83Å; L125-M127 VanDerWaalsContact C-N 3.35Å; M127-P129 VanDerWaalsContact O-CD 3.25Å; M127-P129 WeakPolarHBondContact O-CD 3.47Å
128	D	98.1	Very high	97.6	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.144	23%	0.229	C	C	.	.			trans	-77.2	114.1	179.4	-170.3	-14.4	0	0	0	112.5	Q124 L125 R130 V131 K157	Q124-D128 PolarHBondContact O-N 2.91Å; Q124-D128 VanDerWaalsContact O-N 3.12Å; L125-D128 PolarHBondContact O-N 3.12Å; D128-R130 PolarHBondContact O-N 2.77Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact OD1-CB 3.32Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.91Å; D128-R130 PolarHBondContact OD1-N 3.03Å; D128-R130 IonicContact OD1-NE 3.85Å; D128-R130 PolarHBondContact OD1-NE 3.35Å; D128-R130 IonicContact OD1-NH2 2.63Å; D128-R130 IonicContact OD2-CZ 3.69Å; D128-R130 IonicContact OD2-NE 3.75Å; D128-R130 PolarHBondContact OD2-NE 3.37Å; D128-R130 IonicContact OD2-NH2 2.76Å; D128-R130 PolarHBondContact OD2-NH2 3.32Å; D128-V131 HydrophobicContact CB-CB 4.38Å; D128-V131 HydrophobicContact CB-CG2 3.87Å; D128-V131 PolarHBondContact O-N 3.42Å; D128-K157 PolarHBondContact O-NZ 2.79Å
129	P	96.1	Very high	97.3	Very high	104 Å²	104	49.2 Å²	49.2	68%	0.675	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	4	178	34.5	-38.7	0	0	0	113.7	M127	M127-P129 VanDerWaalsContact O-CD 3.25Å; M127-P129 WeakPolarHBondContact O-CD 3.47Å
130	R	96.4	Very high	97.1	Very high	167 Å²	167	47.6 Å²	47.6	63%	0.63	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-27.6	170.1	-55	172.3	-63.1	174.8	6.7	111.6	H74 D128	H74-R130 WeakPolarHBondContact CB-O 3.27Å; D128-R130 PolarHBondContact O-N 2.77Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact OD1-CB 3.32Å; D128-R130 WeakPolarHBondContact OD1-CG 3.45Å; D128-R130 IonicContact OD1-CZ 2.91Å; D128-R130 PolarHBondContact OD1-N 3.03Å; D128-R130 IonicContact OD1-NE 3.85Å; D128-R130 PolarHBondContact OD1-NE 3.35Å; D128-R130 IonicContact OD1-NH2 2.63Å; D128-R130 IonicContact OD2-CZ 3.69Å; D128-R130 IonicContact OD2-NE 3.75Å; D128-R130 PolarHBondContact OD2-NE 3.37Å; D128-R130 IonicContact OD2-NH2 2.76Å; D128-R130 PolarHBondContact OD2-NH2 3.32Å
131	V	98.3	Very high	97	Very high	5 Å²	5	45 Å²	45	3%	0.03	23%	0.233	C	C	.	.			trans	-82.8	121.5	-178	178.8	0	0	0	0	109.3	S76 L125 D128 I134 K157	S76-V131 WeakPolarHBondContact OG-CG2 3.46Å; L125-V131 HydrophobicContact CD2-CG2 3.9Å; D128-V131 HydrophobicContact CB-CB 4.38Å; D128-V131 HydrophobicContact CB-CG2 3.87Å; D128-V131 PolarHBondContact O-N 3.42Å; V131-I134 HydrophobicContact CG1-CD1 4.38Å; V131-I134 HydrophobicContact CG1-CG1 3.7Å; V131-K157 HydrophobicContact CG1-CD 4.46Å; V131-K157 WeakPolarHBondContact O-CE 3.41Å; V131-K157 PolarHBondContact O-NZ 3.05Å
132	S	98.1	Very high	96.8	Very high	21 Å²	21	52.5 Å²	52.5	15%	0.147	27%	0.273	C	S	.	.			trans	-96.4	-28.7	178.5	-46	0	0	0	0	112.9	P73 H74 A332	P73-S132 WeakPolarHBondContact CA-OG 3.31Å; H74-S132 PolarHBondContact N-OG 2.97Å; H74-S132 WeakPolarHBondContact O-CA 3.35Å; H74-S132 WeakPolarHBondContact O-CB 3.47Å; H74-S132 PolarHBondContact O-N 3.3Å; S132-A332 VanDerWaalsContact O-CB 3.23Å; S132-A332 WeakPolarHBondContact O-CB 3.47Å
133	G	98.4	Very high	96.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.8	-178.5	0	0	0	0	0	111.7	H74 L75 S76 K157	H74-G133 PolarHBondContact O-N 2.82Å; L75-G133 WeakPolarHBondContact CA-O 3.33Å; S76-G133 PolarHBondContact N-O 2.83Å; G133-K157 CarbonylContact C-O 3.57Å; G133-K157 VanDerWaalsContact CA-O 3.31Å; G133-K157 WeakPolarHBondContact CA-O 3.35Å
134	I	98.7	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135.4	-177.9	-58.9	165.1	0	0	0	108	S76 L125 N126 V131 I153 K157 V159	S76-I134 WeakPolarHBondContact O-CA 3.4Å; L125-I134 HydrophobicContact CB-CD1 3.48Å; L125-I134 VanDerWaalsContact CB-CD1 3.48Å; L125-I134 HydrophobicContact CB-CG1 3.89Å; L125-I134 HydrophobicContact CD1-CG1 4.36Å; L125-I134 HydrophobicContact CD1-CG2 4.05Å; N126-I134 WeakPolarHBondContact OD1-CD1 3.28Å; V131-I134 HydrophobicContact CG1-CD1 4.38Å; V131-I134 HydrophobicContact CG1-CG1 3.7Å; I134-I153 HydrophobicContact CB-CG2 3.83Å; I134-I153 HydrophobicContact CD1-CG2 4.17Å; I134-I153 HydrophobicContact CG2-CD1 4.06Å; I134-I153 HydrophobicContact CG2-CG1 4.05Å; I134-I153 HydrophobicContact CG2-CG2 4.2Å; I134-K157 HydrophobicContact CD1-CB 3.97Å; I134-K157 HydrophobicContact CD1-CD 3.83Å; I134-K157 HydrophobicContact CG1-CB 4.15Å; I134-K157 HydrophobicContact CG1-CD 4.37Å; I134-K157 PolarHBondContact N-O 3.25Å; I134-V159 WeakPolarHBondContact O-CG2 3.49Å
135	L	96.6	Very high	96.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	128.6	176.1	-178.8	143.8	0	0	0	110.2	L75 S76 I77 I78 K93 Q137 V159 D160 L325	L75-L135 HydrophobicContact CD1-CB 4.36Å; S76-L135 PolarHBondContact O-N 3.17Å; I77-L135 CarbonylContact C-O 3.56Å; I77-L135 WeakPolarHBondContact CA-O 3.24Å; I77-L135 HydrophobicContact CG2-CD2 3.87Å; I78-L135 PolarHBondContact N-O 3.1Å; K93-L135 HydrophobicContact CD-CD1 4.36Å; L135-Q137 HydrophobicContact CD2-CB 4.17Å; L135-V159 HydrophobicContact CB-CG2 4.45Å; L135-D160 HydrophobicContact CD1-CB 4.38Å; L135-D160 WeakPolarHBondContact CD1-OD1 3.39Å; L135-D160 WeakPolarHBondContact CD1-OD2 3.4Å; L135-D160 WeakPolarHBondContact CG-OD2 3.39Å; L135-L325 HydrophobicContact CD1-CD1 3.54Å; L135-L325 HydrophobicContact CD1-CD2 3.58Å; L135-L325 HydrophobicContact CD1-CG 4.22Å
136	V	97	Very high	96.5	Very high	6 Å²	6	54 Å²	54	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.7	168.1	179.6	0	0	0	0	108.3	I78 L138 L140 I149 I153	I78-V136 HydrophobicContact CB-CG2 4.13Å; I78-V136 HydrophobicContact CD1-CG2 3.93Å; I78-V136 HydrophobicContact CG1-CG2 4.48Å; V136-L138 HydrophobicContact CG1-CD2 4.47Å; V136-L138 PolarHBondContact O-N 3.47Å; V136-L138 VanDerWaalsContact O-N 3.12Å; V136-L140 HydrophobicContact CG1-CD1 4.06Å; V136-L140 HydrophobicContact CG1-CD2 3.75Å; V136-L140 HydrophobicContact CG1-CG 4.25Å; V136-I149 HydrophobicContact CB-CG2 4.25Å; V136-I149 HydrophobicContact CG1-CG2 4.01Å; V136-I149 HydrophobicContact CG2-CG2 3.77Å; V136-I153 HydrophobicContact CG2-CD1 4.07Å
137	Q	95.8	Very high	96.3	Very high	24 Å²	24	57 Å²	57	11%	0.112	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	105	-176.8	-179.6	60.3	62.6	0	0	111	I78 L79 V90 L135	I78-Q137 PolarHBondContact O-N 3.44Å; L79-Q137 HydrophobicContact CD1-CB 4Å; L79-Q137 HydrophobicContact CD1-CG 3.91Å; V90-Q137 HydrophobicContact CG2-CB 3.93Å; V90-Q137 HydrophobicContact CG2-CG 3.72Å; L135-Q137 HydrophobicContact CD2-CB 4.17Å
138	L	93	Very high	96.3	Very high	30 Å²	30	52 Å²	52	16%	0.157	27%	0.268	C	S	.	.	S	Bend	trans	-75.1	157.4	173.8	-55.7	-172.8	0	0	0	112.3	V136 L140 E146 F162	V136-L138 HydrophobicContact CG1-CD2 4.47Å; V136-L138 PolarHBondContact O-N 3.47Å; V136-L138 VanDerWaalsContact O-N 3.12Å; L138-L140 HydrophobicContact CD2-CD1 4.21Å; L138-L140 HydrophobicContact CD2-CG 3.89Å; L138-E146 HydrophobicContact CD2-CB 4.36Å; L138-E146 HydrophobicContact CD2-CG 4.05Å; L138-F162 HydrophobicContact CD1-CD2 4.18Å; L138-F162 HydrophobicContact CD1-CE2 3.98Å
139	P	92.4	Very high	96.3	Very high	79 Å²	79	50.7 Å²	50.7	51%	0.513	26%	0.261	S	S	.	.	P	Polyproline II helix	cis	-74.1	152.7	-5	32.3	-35.6	0	0	0	112.8	E146	P139-E146 WeakPolarHBondContact CA-OE1 3.36Å
140	L	94.4	Very high	96.3	Very high	12 Å²	12	46 Å²	46	6%	0.063	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-87.7	166.3	168.8	-66	176.9	0	0	0	111.3	V80 V136 L138 V144 E146 I149	V80-L140 HydrophobicContact CB-CD2 3.92Å; V80-L140 HydrophobicContact CG2-CD2 3.65Å; V136-L140 HydrophobicContact CG1-CD1 4.06Å; V136-L140 HydrophobicContact CG1-CD2 3.75Å; V136-L140 HydrophobicContact CG1-CG 4.25Å; L138-L140 HydrophobicContact CD2-CD1 4.21Å; L138-L140 HydrophobicContact CD2-CG 3.89Å; L140-V144 HydrophobicContact CB-CB 4.31Å; L140-V144 HydrophobicContact CB-CG1 4.47Å; L140-V144 HydrophobicContact CD1-CB 4.49Å; L140-V144 HydrophobicContact CD1-CG1 3.76Å; L140-E146 HydrophobicContact CB-CG 3.96Å; L140-E146 HydrophobicContact CD1-CG 4.15Å; L140-E146 HydrophobicContact CG-CG 4.2Å; L140-E146 PolarHBondContact N-OE1 3.08Å; L140-I149 HydrophobicContact CD1-CB 4.1Å; L140-I149 HydrophobicContact CD1-CG1 3.97Å; L140-I149 HydrophobicContact CD1-CG2 4.2Å
141	P	95.1	Very high	96.3	Very high	30 Å²	30	40.6 Å²	40.6	20%	0.195	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-59.8	147.2	169.9	-23.5	35.1	0	0	0	112.5	V80 G111 H143 V144	V80-P141 HydrophobicContact CG1-CG 3.61Å; G111-P141 WeakPolarHBondContact O-CG 3.4Å; P141-H143 VanDerWaalsContact CB-CE1 3.47Å; P141-H143 WeakPolarHBondContact CB-CE1 3.2Å; P141-H143 PolarHBondContact O-N 2.93Å; P141-V144 PolarHBondContact O-N 3.3Å
142	D	95.3	Very high	96.3	Very high	175 Å²	175	41.1 Å²	41.1	94%	0.936	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.2	-173.4	-63.1	-32.1	0	0	0	115	V144	D142-V144 VanDerWaalsContact C-N 3.33Å
143	H	96.3	Very high	96.3	Very high	106 Å²	106	40.4 Å²	40.4	49%	0.491	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	0.2	177.6	70.4	-89.6	0	0	0	114.2	G111 V113 P141	G111-H143 PolarHBondContact O-CE1 3.45Å; V113-H143 PolarHBondContact O-NE2 3.2Å; P141-H143 VanDerWaalsContact CB-CE1 3.47Å; P141-H143 WeakPolarHBondContact CB-CE1 3.2Å; P141-H143 PolarHBondContact O-N 2.93Å
144	V	97.4	Very high	96.3	Very high	8 Å²	8	41.1 Å²	41.1	5%	0.048	22%	0.221	C	C	.	.	S	Bend	trans	-113	124.6	177.6	-178.4	0	0	0	0	109.4	Q115 L118 L140 P141 D142 E146 I149	Q115-V144 HydrophobicContact CB-CG1 4.38Å; Q115-V144 HydrophobicContact CG-CG1 4.28Å; L118-V144 HydrophobicContact CD1-CG1 3.8Å; L118-V144 HydrophobicContact CD1-CG2 4.16Å; L140-V144 HydrophobicContact CB-CB 4.31Å; L140-V144 HydrophobicContact CB-CG1 4.47Å; L140-V144 HydrophobicContact CD1-CB 4.49Å; L140-V144 HydrophobicContact CD1-CG1 3.76Å; P141-V144 PolarHBondContact O-N 3.3Å; D142-V144 VanDerWaalsContact C-N 3.33Å; V144-E146 PolarHBondContact O-N 2.94Å; V144-E146 VanDerWaalsContact O-N 3.11Å; V144-I149 HydrophobicContact CG1-CD1 4.19Å; V144-I149 HydrophobicContact CG1-CG1 3.57Å
145	D	97.3	Very high	96.3	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	23%	0.227	S	C	.	.			trans	-75.4	102.6	174.8	-177.6	-104.9	0	0	0	111	R147 T148 I149	D145-R147 PolarHBondContact O-N 3.25Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.37Å; D145-R147 PolarHBondContact OD1-N 2.93Å; D145-T148 PolarHBondContact O-N 3.2Å; D145-T148 VanDerWaalsContact O-N 3.1Å; D145-T148 VanDerWaalsContact OD1-CB 3.26Å; D145-T148 WeakPolarHBondContact OD1-CB 3.27Å; D145-T148 PolarHBondContact OD1-N 2.87Å; D145-T148 PolarHBondContact OD1-OG1 2.91Å; D145-I149 PolarHBondContact O-N 3.43Å; D145-I149 VanDerWaalsContact O-N 3.13Å
146	E	95.1	Very high	96.4	Very high	69 Å²	69	46.3 Å²	46.3	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-51.9	-34.2	178.6	-66.9	-169.9	156.8	0	0	113	L138 P139 L140 V144 C150	L138-E146 HydrophobicContact CD2-CB 4.36Å; L138-E146 HydrophobicContact CD2-CG 4.05Å; P139-E146 WeakPolarHBondContact CA-OE1 3.36Å; L140-E146 HydrophobicContact CB-CG 3.96Å; L140-E146 HydrophobicContact CD1-CG 4.15Å; L140-E146 HydrophobicContact CG-CG 4.2Å; L140-E146 PolarHBondContact N-OE1 3.08Å; V144-E146 PolarHBondContact O-N 2.94Å; V144-E146 VanDerWaalsContact O-N 3.11Å; E146-C150 WeakPolarHBondContact O-CB 3.36Å; E146-C150 PolarHBondContact O-N 3.49Å; E146-C150 PolarHBondContact O-SG 2.59Å
147	R	94.6	Very high	96.5	Very high	93 Å²	93	47 Å²	47	35%	0.351	25%	0.25	S	C	.	.	H	α-helix	trans	-70.2	-41.3	-178.2	176.3	50.3	47.3	-166.3	-7.3	111.3	D145 C150 N151 F162	D145-R147 PolarHBondContact O-N 3.25Å; D145-R147 VanDerWaalsContact O-N 3.09Å; D145-R147 WeakPolarHBondContact OD1-CB 3.37Å; D145-R147 PolarHBondContact OD1-N 2.93Å; R147-C150 PolarHBondContact O-N 3.13Å; R147-N151 VanDerWaalsContact O-CB 3.29Å; R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 VanDerWaalsContact O-CG 3.26Å; R147-N151 PolarHBondContact O-N 3.07Å; R147-F162 PolarHBondContact NH1-O 3.11Å
148	T	97.6	Very high	96.6	Very high	56 Å²	56	46 Å²	46	34%	0.344	25%	0.245	S	C	.	.	H	α-helix	trans	-63.5	-46.2	175.4	-60.6	0	0	0	0	110	L119 D145 N151 G152	L119-T148 HydrophobicContact CD1-CG2 4.24Å; L119-T148 HydrophobicContact CD2-CG2 4.39Å; D145-T148 PolarHBondContact O-N 3.2Å; D145-T148 VanDerWaalsContact O-N 3.1Å; D145-T148 VanDerWaalsContact OD1-CB 3.26Å; D145-T148 WeakPolarHBondContact OD1-CB 3.27Å; D145-T148 PolarHBondContact OD1-N 2.87Å; D145-T148 PolarHBondContact OD1-OG1 2.91Å; T148-N151 CarbonylContact O-C 3.59Å; T148-N151 PolarHBondContact O-N 3.18Å; T148-G152 PolarHBondContact O-N 3.2Å
149	I	97.8	Very high	96.8	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-45.1	175.9	-59.8	-54.2	0	0	0	112.2	Q115 L118 L119 V136 L140 V144 D145 N151 G152	Q115-I149 HydrophobicContact CG-CD1 3.9Å; L118-I149 HydrophobicContact CB-CD1 3.65Å; L118-I149 HydrophobicContact CD1-CD1 4.39Å; L118-I149 HydrophobicContact CD1-CG1 4.48Å; L119-I149 HydrophobicContact CD2-CD1 3.89Å; L119-I149 HydrophobicContact CG-CD1 3.84Å; V136-I149 HydrophobicContact CB-CG2 4.25Å; V136-I149 HydrophobicContact CG1-CG2 4.01Å; V136-I149 HydrophobicContact CG2-CG2 3.77Å; L140-I149 HydrophobicContact CD1-CB 4.1Å; L140-I149 HydrophobicContact CD1-CG1 3.97Å; L140-I149 HydrophobicContact CD1-CG2 4.2Å; V144-I149 HydrophobicContact CG1-CD1 4.19Å; V144-I149 HydrophobicContact CG1-CG1 3.57Å; D145-I149 PolarHBondContact O-N 3.43Å; D145-I149 VanDerWaalsContact O-N 3.13Å; I149-N151 PolarHBondContact O-N 3Å; I149-G152 PolarHBondContact O-N 3.38Å; I149-G152 VanDerWaalsContact O-N 3.1Å
150	C	96.4	Very high	97	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.034	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-30.6	175.9	-67.8	0	0	0	0	112.9	E146 R147 F162	E146-C150 WeakPolarHBondContact O-CB 3.36Å; E146-C150 PolarHBondContact O-N 3.49Å; E146-C150 PolarHBondContact O-SG 2.59Å; R147-C150 PolarHBondContact O-N 3.13Å; C150-F162 HydrophobicContact CB-CB 3.98Å
151	N	97.7	Very high	97.1	Very high	53 Å²	53	41 Å²	41	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-84.6	-9.3	176.1	-72.9	-7.6	0	0	0	113.2	R147 T148 I149 H163 I164	R147-N151 VanDerWaalsContact O-CB 3.29Å; R147-N151 WeakPolarHBondContact O-CB 3.35Å; R147-N151 VanDerWaalsContact O-CG 3.26Å; R147-N151 PolarHBondContact O-N 3.07Å; T148-N151 CarbonylContact O-C 3.59Å; T148-N151 PolarHBondContact O-N 3.18Å; I149-N151 PolarHBondContact O-N 3Å; N151-H163 VanDerWaalsContact CA-CD2 3.48Å; N151-H163 WeakPolarHBondContact CA-CD2 3.33Å; N151-H163 PolarHBondContact O-CD2 2.81Å; N151-H163 PolarHBondContact O-NE2 3.06Å; N151-I164 PolarHBondContact OD1-N 2.87Å; N151-I164 VanDerWaalsContact OD1-N 3.12Å
152	G	97.8	Very high	97.2	Very high	16 Å²	16	40.8 Å²	40.8	17%	0.165	21%	0.21	C	C	.	.	H	α-helix	trans	-83.1	-13	172	0	0	0	0	0	113.7	N126 T148 I149	N126-G152 PolarHBondContact ND2-O 3.27Å; T148-G152 PolarHBondContact O-N 3.2Å; I149-G152 PolarHBondContact O-N 3.38Å; I149-G152 VanDerWaalsContact O-N 3.1Å
153	I	98.5	Very high	97.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	17%	0.169	C	C	.	.	S	Bend	trans	-82.1	130.1	175.8	-58.5	169.9	0	0	0	109.5	T122 I134 V136 K157 D158 H163	T122-I153 HydrophobicContact CG2-CG1 3.96Å; I134-I153 HydrophobicContact CB-CG2 3.83Å; I134-I153 HydrophobicContact CD1-CG2 4.17Å; I134-I153 HydrophobicContact CG2-CD1 4.06Å; I134-I153 HydrophobicContact CG2-CG1 4.05Å; I134-I153 HydrophobicContact CG2-CG2 4.2Å; V136-I153 HydrophobicContact CG2-CD1 4.07Å; I153-K157 HydrophobicContact CG2-CB 4.5Å; I153-D158 HydrophobicContact CB-CB 4.47Å; I153-D158 HydrophobicContact CG2-CB 3.88Å; I153-H163 PolarHBondContact O-CD2 2.94Å
154	A	98.4	Very high	97.4	Very high	15 Å²	15	33.2 Å²	33.2	12%	0.124	17%	0.171	C	C	.	.			trans	-53.9	129.6	175.1	0	0	0	0	0	111	N126 E156 K157 D158	N126-A154 HydrophobicContact CB-CB 4.23Å; N126-A154 WeakPolarHBondContact OD1-CB 3.47Å; N126-A154 PolarHBondContact OD1-N 2.98Å; A154-E156 PolarHBondContact O-N 3.2Å; A154-E156 VanDerWaalsContact O-N 3.08Å; A154-K157 HydrophobicContact CB-CB 4.44Å; A154-K157 CarbonylContact O-C 3.55Å; A154-K157 WeakPolarHBondContact O-CA 3.31Å; A154-K157 PolarHBondContact O-N 3.26Å; A154-D158 PolarHBondContact O-N 3.24Å
155	P	98.3	Very high	97.5	Very high	22 Å²	22	36.7 Å²	36.7	14%	0.143	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.8	-173	-24	28.5	0	0	0	114.6	K157 I165 N166 Y338	P155-K157 VanDerWaalsContact C-N 3.3Å; P155-K157 PolarHBondContact O-N 3.35Å; P155-I165 HydrophobicContact CB-CB 4.25Å; P155-I165 HydrophobicContact CB-CG2 4.26Å; P155-I165 HydrophobicContact CG-CB 4.2Å; P155-I165 HydrophobicContact CG-CD1 3.81Å; P155-I165 HydrophobicContact CG-CG2 4.48Å; P155-N166 PolarHBondContact O-ND2 3.2Å; P155-Y338 HydrophobicContact CB-CE1 3.83Å; P155-Y338 HydrophobicContact CB-CE2 4.41Å; P155-Y338 WeakPolarHBondContact CB-OH 3.27Å; P155-Y338 WeakPolarHBondContact O-CE2 3.27Å
156	E	98.1	Very high	97.5	Very high	88 Å²	88	32.9 Å²	32.9	41%	0.411	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.4	178.7	65.6	-86.3	-157	0	0	113.8	A154 A332 Y338	A154-E156 PolarHBondContact O-N 3.2Å; A154-E156 VanDerWaalsContact O-N 3.08Å; E156-A332 VanDerWaalsContact O-CB 3.28Å; E156-A332 WeakPolarHBondContact O-CB 3.46Å; E156-Y338 HydrophobicContact CB-CD1 4.35Å; E156-Y338 HydrophobicContact CB-CD2 3.71Å; E156-Y338 HydrophobicContact CB-CE2 4.37Å; E156-Y338 HydrophobicContact CB-CG 3.71Å
157	K	98.6	Very high	97.7	Very high	21 Å²	21	30.9 Å²	30.9	9%	0.091	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-8.1	175.5	-63.6	-174.2	178.3	-177.3	0	113.6	L125 N126 D128 V131 G133 I134 I153 A154 P155 V159	L125-K157 PolarHBondContact O-NZ 3.38Å; N126-K157 PolarHBondContact O-NZ 3.34Å; D128-K157 PolarHBondContact O-NZ 2.79Å; V131-K157 HydrophobicContact CG1-CD 4.46Å; V131-K157 WeakPolarHBondContact O-CE 3.41Å; V131-K157 PolarHBondContact O-NZ 3.05Å; G133-K157 CarbonylContact C-O 3.57Å; G133-K157 VanDerWaalsContact CA-O 3.31Å; G133-K157 WeakPolarHBondContact CA-O 3.35Å; I134-K157 HydrophobicContact CD1-CB 3.97Å; I134-K157 HydrophobicContact CD1-CD 3.83Å; I134-K157 HydrophobicContact CG1-CB 4.15Å; I134-K157 HydrophobicContact CG1-CD 4.37Å; I134-K157 PolarHBondContact N-O 3.25Å; I153-K157 HydrophobicContact CG2-CB 4.5Å; A154-K157 HydrophobicContact CB-CB 4.44Å; A154-K157 CarbonylContact O-C 3.55Å; A154-K157 WeakPolarHBondContact O-CA 3.31Å; A154-K157 PolarHBondContact O-N 3.26Å; P155-K157 VanDerWaalsContact C-N 3.3Å; P155-K157 PolarHBondContact O-N 3.35Å; K157-V159 VanDerWaalsContact C-N 3.29Å; K157-V159 PolarHBondContact O-N 3.34Å
158	D	98.3	Very high	97.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-72	77.2	178.7	165.8	42.6	0	0	0	111.9	I153 A154 D160 G161 F162 H163 N166 L177	I153-D158 HydrophobicContact CB-CB 4.47Å; I153-D158 HydrophobicContact CG2-CB 3.88Å; A154-D158 PolarHBondContact O-N 3.24Å; D158-D160 PolarHBondContact O-N 2.93Å; D158-G161 PolarHBondContact O-N 3.26Å; D158-G161 PolarHBondContact OD1-N 3.38Å; D158-G161 WeakPolarHBondContact OD2-CA 3.36Å; D158-F162 VanDerWaalsContact CG-N 3.34Å; D158-F162 PolarHBondContact OD1-N 2.95Å; D158-F162 PolarHBondContact OD2-N 2.7Å; D158-H163 HydrophobicContact CB-CB 3.97Å; D158-H163 WeakPolarHBondContact OD2-CB 3.38Å; D158-H163 PolarHBondContact OD2-N 3.4Å; D158-N166 PolarHBondContact OD2-ND2 3.03Å; D158-L177 VanDerWaalsContact O-CB 3.29Å; D158-L177 WeakPolarHBondContact O-CB 3.49Å; D158-L177 VanDerWaalsContact O-CD1 3.24Å; D158-L177 WeakPolarHBondContact O-CD1 3.46Å
159	V	98.2	Very high	97.9	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.7	-176.7	-67.2	0	0	0	0	114	L75 I134 L135 K157 L325 N328 A332	L75-V159 HydrophobicContact CD1-CG2 3.71Å; I134-V159 WeakPolarHBondContact O-CG2 3.49Å; L135-V159 HydrophobicContact CB-CG2 4.45Å; K157-V159 VanDerWaalsContact C-N 3.29Å; K157-V159 PolarHBondContact O-N 3.34Å; V159-L325 HydrophobicContact CB-CD1 3.97Å; V159-L325 HydrophobicContact CG2-CD1 3.58Å; V159-N328 HydrophobicContact CB-CB 4.03Å; V159-N328 HydrophobicContact CG1-CB 4.35Å; V159-N328 WeakPolarHBondContact O-CB 3.5Å; V159-N328 PolarHBondContact O-ND2 3.05Å; V159-A332 HydrophobicContact CG1-CB 4.08Å
160	D	95.1	Very high	97.9	Very high	18 Å²	18	27.9 Å²	27.9	10%	0.096	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.5	169	-108.8	-3.6	0	0	0	112.1	L135 D158 F162 P179	L135-D160 HydrophobicContact CD1-CB 4.38Å; L135-D160 WeakPolarHBondContact CD1-OD1 3.39Å; L135-D160 WeakPolarHBondContact CD1-OD2 3.4Å; L135-D160 WeakPolarHBondContact CG-OD2 3.39Å; D158-D160 PolarHBondContact O-N 2.93Å; D160-F162 VanDerWaalsContact C-N 3.34Å; D160-F162 HydrophobicContact CB-CD2 3.87Å; D160-F162 HydrophobicContact CB-CE1 4.39Å; D160-F162 HydrophobicContact CB-CE2 3.69Å; D160-F162 HydrophobicContact CB-CG 4.28Å; D160-F162 HydrophobicContact CB-CZ 3.96Å; D160-F162 WeakPolarHBondContact O-CD1 3.25Å; D160-F162 WeakPolarHBondContact O-CE1 3.35Å; D160-F162 PolarHBondContact O-N 3.25Å; D160-F162 WeakPolarHBondContact OD2-CE2 3.44Å; D160-P179 VanDerWaalsContact O-CA 3.29Å; D160-P179 WeakPolarHBondContact O-CA 3.11Å
161	G	97.1	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.			trans	70	24.9	172.9	0	0	0	0	0	114.6	D158 I167 L177 P179	D158-G161 PolarHBondContact O-N 3.26Å; D158-G161 PolarHBondContact OD1-N 3.38Å; D158-G161 WeakPolarHBondContact OD2-CA 3.36Å; G161-I167 WeakPolarHBondContact O-CD1 3.45Å; G161-I167 WeakPolarHBondContact O-CG1 3.28Å; G161-L177 WeakPolarHBondContact CA-O 3.25Å; G161-P179 WeakPolarHBondContact O-CG 3.39Å
162	F	97.4	Very high	98	Very high	24 Å²	24	33.7 Å²	33.7	11%	0.105	19%	0.185	C	C	.	.			trans	-94.8	-15.6	-174.2	-60.6	-22.2	0	0	0	114.3	L138 R147 C150 D158 D160 P179 N209	L138-F162 HydrophobicContact CD1-CD2 4.18Å; L138-F162 HydrophobicContact CD1-CE2 3.98Å; R147-F162 PolarHBondContact NH1-O 3.11Å; C150-F162 HydrophobicContact CB-CB 3.98Å; D158-F162 VanDerWaalsContact CG-N 3.34Å; D158-F162 PolarHBondContact OD1-N 2.95Å; D158-F162 PolarHBondContact OD2-N 2.7Å; D160-F162 VanDerWaalsContact C-N 3.34Å; D160-F162 HydrophobicContact CB-CD2 3.87Å; D160-F162 HydrophobicContact CB-CE1 4.39Å; D160-F162 HydrophobicContact CB-CE2 3.69Å; D160-F162 HydrophobicContact CB-CG 4.28Å; D160-F162 HydrophobicContact CB-CZ 3.96Å; D160-F162 WeakPolarHBondContact O-CD1 3.25Å; D160-F162 WeakPolarHBondContact O-CE1 3.35Å; D160-F162 PolarHBondContact O-N 3.25Å; D160-F162 WeakPolarHBondContact OD2-CE2 3.44Å; F162-P179 HydrophobicContact CD1-CG 4.33Å; F162-P179 HydrophobicContact CE1-CB 4.15Å; F162-P179 HydrophobicContact CE1-CG 4.41Å; F162-N209 HydrophobicContact CD1-CB 4Å; F162-N209 HydrophobicContact CE1-CB 3.35Å; F162-N209 HydrophobicContact CE2-CB 4.43Å; F162-N209 HydrophobicContact CZ-CB 3.62Å
163	H	98.3	Very high	98	Very high	17 Å²	17	33.7 Å²	33.7	8%	0.079	18%	0.181	C	C	.	.	S	Bend	trans	-60	140.3	177.5	-173.7	-86.3	0	0	0	110.5	N151 I153 D158 I165 N166 I167	N151-H163 VanDerWaalsContact CA-CD2 3.48Å; N151-H163 WeakPolarHBondContact CA-CD2 3.33Å; N151-H163 PolarHBondContact O-CD2 2.81Å; N151-H163 PolarHBondContact O-NE2 3.06Å; I153-H163 PolarHBondContact O-CD2 2.94Å; D158-H163 HydrophobicContact CB-CB 3.97Å; D158-H163 WeakPolarHBondContact OD2-CB 3.38Å; D158-H163 PolarHBondContact OD2-N 3.4Å; H163-I165 WeakPolarHBondContact ND1-CB 3.33Å; H163-I165 PolarHBondContact ND1-N 2.89Å; H163-I165 PolarHBondContact O-N 3.34Å; H163-I165 VanDerWaalsContact O-N 3.11Å; H163-N166 PolarHBondContact O-N 2.85Å; H163-I167 PolarHBondContact O-N 3.42Å
164	I	97.6	Very high	98	Very high	105 Å²	105	36.5 Å²	36.5	54%	0.538	19%	0.194	S	C	.	.	H	α-helix	trans	-56	-32.3	-175.6	-171.3	165.6	0	0	0	113.7	N151 G168	N151-I164 PolarHBondContact OD1-N 2.87Å; N151-I164 VanDerWaalsContact OD1-N 3.12Å; I164-G168 WeakPolarHBondContact O-CA 3.25Å; I164-G168 PolarHBondContact O-N 3.07Å
165	I	98.4	Very high	97.9	Very high	81 Å²	81	40 Å²	40	42%	0.415	21%	0.208	S	C	.	.	H	α-helix	trans	-68.3	-44.1	174	-66.1	173.5	0	0	0	111.9	P155 H163 G168 R169 Y338	P155-I165 HydrophobicContact CB-CB 4.25Å; P155-I165 HydrophobicContact CB-CG2 4.26Å; P155-I165 HydrophobicContact CG-CB 4.2Å; P155-I165 HydrophobicContact CG-CD1 3.81Å; P155-I165 HydrophobicContact CG-CG2 4.48Å; H163-I165 WeakPolarHBondContact ND1-CB 3.33Å; H163-I165 PolarHBondContact ND1-N 2.89Å; H163-I165 PolarHBondContact O-N 3.34Å; H163-I165 VanDerWaalsContact O-N 3.11Å; I165-G168 PolarHBondContact O-N 3.04Å; I165-R169 HydrophobicContact CG2-CG 4.31Å; I165-R169 WeakPolarHBondContact O-CB 3.43Å; I165-R169 VanDerWaalsContact O-CG 3.28Å; I165-R169 WeakPolarHBondContact O-CG 3.43Å; I165-R169 PolarHBondContact O-N 3.43Å; I165-Y338 HydrophobicContact CG2-CE1 4.48Å
166	N	98.5	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-41	177.9	-82.5	-45.5	0	0	0	112	P155 D158 H163 L170 S176 L177 Y338	P155-N166 PolarHBondContact O-ND2 3.2Å; D158-N166 PolarHBondContact OD2-ND2 3.03Å; H163-N166 PolarHBondContact O-N 2.85Å; N166-L170 VanDerWaalsContact O-CB 3.31Å; N166-L170 WeakPolarHBondContact O-CB 3.21Å; N166-L170 PolarHBondContact O-N 3.47Å; N166-S176 VanDerWaalsContact O-CB 3.3Å; N166-S176 WeakPolarHBondContact O-CB 3.21Å; N166-S176 PolarHBondContact O-OG 3.14Å; N166-L177 PolarHBondContact OD1-N 3.34Å; N166-Y338 PolarHBondContact OD1-OH 3.41Å
167	I	98.1	Very high	97.9	Very high	26 Å²	26	35.3 Å²	35.3	13%	0.133	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-42.3	173.6	-65.4	-62.9	0	0	0	111.4	G161 H163 L170 C171 P179 M212 P213	G161-I167 WeakPolarHBondContact O-CD1 3.45Å; G161-I167 WeakPolarHBondContact O-CG1 3.28Å; H163-I167 PolarHBondContact O-N 3.42Å; I167-L170 WeakPolarHBondContact O-CB 3.35Å; I167-L170 PolarHBondContact O-N 3.13Å; I167-C171 PolarHBondContact O-N 3.14Å; I167-C171 PolarHBondContact O-SG 3.44Å; I167-P179 HydrophobicContact CD1-CG 3.85Å; I167-M212 HydrophobicContact CD1-CE 4.35Å; I167-M212 HydrophobicContact CG2-CE 3.74Å; I167-P213 HydrophobicContact CD1-CG 4.28Å
168	G	98.3	Very high	97.8	Very high	29 Å²	29	35.4 Å²	35.4	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-61.4	-48.5	177.2	0	0	0	0	0	112.1	I164 I165 L170 C171 L172	I164-G168 WeakPolarHBondContact O-CA 3.25Å; I164-G168 PolarHBondContact O-N 3.07Å; I165-G168 PolarHBondContact O-N 3.04Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 3.19Å; G168-C171 PolarHBondContact O-N 3.37Å; G168-L172 WeakPolarHBondContact O-CG 3.32Å; G168-L172 PolarHBondContact O-N 3.3Å; G168-L172 VanDerWaalsContact O-N 3.1Å
169	R	98.4	Very high	97.9	Very high	59 Å²	59	35.3 Å²	35.3	22%	0.223	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-41.5	173.9	-71.4	178.6	65.7	76.9	1.9	111.7	I165 C171 L172 D173 Q174 H175 E225	I165-R169 HydrophobicContact CG2-CG 4.31Å; I165-R169 WeakPolarHBondContact O-CB 3.43Å; I165-R169 VanDerWaalsContact O-CG 3.28Å; I165-R169 WeakPolarHBondContact O-CG 3.43Å; I165-R169 PolarHBondContact O-N 3.43Å; R169-C171 PolarHBondContact O-N 2.86Å; R169-L172 CarbonylContact O-C 3.5Å; R169-L172 PolarHBondContact O-N 3.4Å; R169-D173 PolarHBondContact O-N 3.03Å; R169-Q174 HydrophobicContact CB-CB 4.06Å; R169-Q174 HydrophobicContact CG-CB 4.45Å; R169-Q174 PolarHBondContact O-N 2.99Å; R169-H175 PolarHBondContact NE-O 3.39Å; R169-H175 PolarHBondContact NH2-O 3.04Å; R169-E225 IonicContact NH2-OE1 3.48Å
170	L	98.2	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-42.5	174.1	173.3	63	0	0	0	112.4	N166 I167 G168 L172 D173 I178 P213 M216 L217 R226	N166-L170 VanDerWaalsContact O-CB 3.31Å; N166-L170 WeakPolarHBondContact O-CB 3.21Å; N166-L170 PolarHBondContact O-N 3.47Å; I167-L170 WeakPolarHBondContact O-CB 3.35Å; I167-L170 PolarHBondContact O-N 3.13Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 3.19Å; L170-L172 VanDerWaalsContact C-N 3.25Å; L170-L172 PolarHBondContact O-N 3.28Å; L170-D173 PolarHBondContact O-N 3.44Å; L170-I178 HydrophobicContact CD1-CG1 4.36Å; L170-P213 HydrophobicContact CD2-CB 3.81Å; L170-M216 HydrophobicContact CG-CB 4.46Å; L170-L217 HydrophobicContact CD1-CD2 3.61Å; L170-L217 HydrophobicContact CD1-CG 4.11Å; L170-R226 PolarHBondContact O-NH2 3.32Å
171	C	98.3	Very high	97.9	Very high	55 Å²	55	35.9 Å²	35.9	37%	0.372	19%	0.19	S	C	.	.	H	α-helix	trans	-74.5	-11.2	178.4	-67	0	0	0	0	114.1	I167 G168 R169	I167-C171 PolarHBondContact O-N 3.14Å; I167-C171 PolarHBondContact O-SG 3.44Å; G168-C171 PolarHBondContact O-N 3.37Å; R169-C171 PolarHBondContact O-N 2.86Å
172	L	98.3	Very high	98	Very high	124 Å²	124	35.9 Å²	35.9	65%	0.649	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.1	15.3	176.5	-65.6	175.2	0	0	0	112.1	G168 R169 L170 Q174	G168-L172 WeakPolarHBondContact O-CG 3.32Å; G168-L172 PolarHBondContact O-N 3.3Å; G168-L172 VanDerWaalsContact O-N 3.1Å; R169-L172 CarbonylContact O-C 3.5Å; R169-L172 PolarHBondContact O-N 3.4Å; L170-L172 VanDerWaalsContact C-N 3.25Å; L170-L172 PolarHBondContact O-N 3.28Å; L172-Q174 HydrophobicContact CB-CG 4.39Å; L172-Q174 PolarHBondContact O-N 3.29Å
173	D	97.9	Very high	98	Very high	17 Å²	17	35.3 Å²	35.3	9%	0.091	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	27.1	179	-53.5	-29.3	0	0	0	115.5	R169 L170 T220 H224 R226	R169-D173 PolarHBondContact O-N 3.03Å; L170-D173 PolarHBondContact O-N 3.44Å; D173-T220 WeakPolarHBondContact OD1-CB 3.19Å; D173-T220 WeakPolarHBondContact OD1-CG2 3.46Å; D173-T220 PolarHBondContact OD1-OG1 3.3Å; D173-T220 WeakPolarHBondContact OD2-CB 3.36Å; D173-H224 HydrophobicContact CB-CB 3.58Å; D173-H224 WeakPolarHBondContact CB-ND1 3.49Å; D173-H224 IonicContact OD2-CE1 2.96Å; D173-H224 IonicContact OD2-CG 2.67Å; D173-H224 IonicContact OD2-ND1 3.35Å; D173-H224 PolarHBondContact OD2-ND1 3.43Å; D173-R226 WeakPolarHBondContact O-CB 3.27Å; D173-R226 PolarHBondContact O-N 2.91Å; D173-R226 IonicContact OD1-CZ 3.52Å; D173-R226 VanDerWaalsContact OD1-CZ 3.29Å; D173-R226 IonicContact OD1-NH1 3.86Å; D173-R226 PolarHBondContact OD1-NH1 3.13Å; D173-R226 IonicContact OD1-NH2 2.74Å; D173-R226 PolarHBondContact OD1-NH2 3.2Å
174	Q	98	Very high	98	Very high	64 Å²	64	34.5 Å²	34.5	30%	0.299	19%	0.185	S	C	.	.			trans	-93	160.7	175.1	-63.1	179.8	-26.9	0	0	111.4	R169 L172 S176	R169-Q174 HydrophobicContact CB-CB 4.06Å; R169-Q174 HydrophobicContact CG-CB 4.45Å; R169-Q174 PolarHBondContact O-N 2.99Å; L172-Q174 HydrophobicContact CB-CG 4.39Å; L172-Q174 PolarHBondContact O-N 3.29Å; Q174-S176 PolarHBondContact O-N 3.07Å
175	H	96.8	Very high	98.1	Very high	90 Å²	90	29.5 Å²	29.5	42%	0.417	16%	0.16	S	C	.	.			trans	-61.7	125.6	171.9	-66.6	-31.7	0	0	0	111.1	R169 E225 I337	R169-H175 PolarHBondContact NE-O 3.39Å; R169-H175 PolarHBondContact NH2-O 3.04Å; H175-E225 WeakPolarHBondContact CB-OE1 3.5Å; H175-E225 IonicContact CD2-OE1 2.7Å; H175-E225 PolarHBondContact CD2-OE1 2.85Å; H175-E225 PolarHBondContact CE1-O 3Å; H175-E225 IonicContact CG-OE1 3.42Å; H175-E225 PolarHBondContact N-OE1 3.49Å; H175-I337 HydrophobicContact CB-CG2 4.34Å; H175-I337 WeakPolarHBondContact O-CG2 3.37Å
176	S	97.6	Very high	98.1	Very high	8 Å²	8	27.2 Å²	27.2	6%	0.056	15%	0.146	C	C	.	.			trans	-148.2	168.1	175.3	71.3	0	0	0	0	111.6	N166 Q174 I178	N166-S176 VanDerWaalsContact O-CB 3.3Å; N166-S176 WeakPolarHBondContact O-CB 3.21Å; N166-S176 PolarHBondContact O-OG 3.14Å; Q174-S176 PolarHBondContact O-N 3.07Å; S176-I178 PolarHBondContact O-N 2.86Å; S176-I178 VanDerWaalsContact O-N 3.15Å
177	L	98.1	Very high	98.1	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	15%	0.148	C	C	.	.			trans	-73	105.2	165.9	-67.6	172.2	0	0	0	107.8	D158 G161 N166 N328 L331 A332 I337	D158-L177 VanDerWaalsContact O-CB 3.29Å; D158-L177 WeakPolarHBondContact O-CB 3.49Å; D158-L177 VanDerWaalsContact O-CD1 3.24Å; D158-L177 WeakPolarHBondContact O-CD1 3.46Å; G161-L177 WeakPolarHBondContact CA-O 3.25Å; N166-L177 PolarHBondContact OD1-N 3.34Å; L177-N328 HydrophobicContact CD2-CB 4.05Å; L177-L331 HydrophobicContact CD2-CB 4.34Å; L177-A332 HydrophobicContact CD1-CB 4.28Å; L177-I337 HydrophobicContact CD2-CD1 3.62Å; L177-I337 HydrophobicContact CG-CD1 4.1Å
178	I	98.1	Very high	98.1	Very high	23 Å²	23	26.5 Å²	26.5	12%	0.118	14%	0.142	C	C	.	.			trans	-81.2	135.5	-174.4	-59.7	168.8	0	0	0	109.5	L170 S176 A180 A182 L217 N328	L170-I178 HydrophobicContact CD1-CG1 4.36Å; S176-I178 PolarHBondContact O-N 2.86Å; S176-I178 VanDerWaalsContact O-N 3.15Å; I178-A180 PolarHBondContact O-N 3.3Å; I178-A182 HydrophobicContact CG2-CB 4.5Å; I178-L217 HydrophobicContact CD1-CD2 4.06Å; I178-L217 HydrophobicContact CG2-CD1 3.88Å; I178-L217 HydrophobicContact CG2-CD2 4.32Å; I178-N328 PolarHBondContact O-ND2 3Å
179	P	98.4	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.			trans	-43.1	122.8	172.8	-35.7	39.1	0	0	0	114.4	D160 G161 F162 I167 T181 A182 S183 P213	D160-P179 VanDerWaalsContact O-CA 3.29Å; D160-P179 WeakPolarHBondContact O-CA 3.11Å; G161-P179 WeakPolarHBondContact O-CG 3.39Å; F162-P179 HydrophobicContact CD1-CG 4.33Å; F162-P179 HydrophobicContact CE1-CB 4.15Å; F162-P179 HydrophobicContact CE1-CG 4.41Å; I167-P179 HydrophobicContact CD1-CG 3.85Å; P179-T181 VanDerWaalsContact C-N 3.25Å; P179-T181 PolarHBondContact O-N 3.17Å; P179-T181 VanDerWaalsContact O-N 3.1Å; P179-A182 HydrophobicContact CB-CB 4.23Å; P179-A182 WeakPolarHBondContact O-CA 3.44Å; P179-A182 WeakPolarHBondContact O-CB 3.43Å; P179-A182 PolarHBondContact O-N 3.15Å; P179-S183 PolarHBondContact O-N 3.35Å; P179-P213 HydrophobicContact CB-CB 4.22Å; P179-P213 HydrophobicContact CB-CG 4.28Å; P179-P213 HydrophobicContact CG-CB 3.98Å; P179-P213 HydrophobicContact CG-CG 3.85Å
180	A	97.4	Very high	98.2	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-36.3	-165.4	0	0	0	0	0	113.4	I178 A184 T321 M324 L325	I178-A180 PolarHBondContact O-N 3.3Å; A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.28Å; A180-A184 PolarHBondContact O-N 3.41Å; A180-T321 HydrophobicContact CB-CG2 4.04Å; A180-M324 HydrophobicContact CB-CB 4.41Å; A180-M324 WeakPolarHBondContact O-CB 3.44Å; A180-L325 HydrophobicContact CB-CB 4.12Å
181	T	97.4	Very high	98.2	Very high	27 Å²	27	31.4 Å²	31.4	17%	0.166	15%	0.154	C	C	.	.	H	α-helix	trans	-71.2	-37.2	175.5	-58.6	0	0	0	0	112.9	P179 A184 V185 V210 V279 V317 T321	P179-T181 VanDerWaalsContact C-N 3.25Å; P179-T181 PolarHBondContact O-N 3.17Å; P179-T181 VanDerWaalsContact O-N 3.1Å; T181-A184 WeakPolarHBondContact O-CB 3.39Å; T181-A184 PolarHBondContact O-N 3.12Å; T181-V185 WeakPolarHBondContact O-CG2 3.38Å; T181-V185 PolarHBondContact O-N 3.2Å; T181-V210 HydrophobicContact CG2-CG1 3.8Å; T181-V210 HydrophobicContact CG2-CG2 4.06Å; T181-V279 HydrophobicContact CG2-CG1 3.36Å; T181-V317 HydrophobicContact CG2-CG1 4.05Å; T181-T321 WeakPolarHBondContact CA-OG1 3.23Å; T181-T321 WeakPolarHBondContact OG1-CG2 3.29Å; T181-T321 PolarHBondContact OG1-OG1 3.25Å
182	A	98.3	Very high	98.2	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-70.1	-42.6	176.2	0	0	0	0	0	111.1	I178 P179 A184 V185 W186 P213 I214 L217	I178-A182 HydrophobicContact CG2-CB 4.5Å; P179-A182 HydrophobicContact CB-CB 4.23Å; P179-A182 WeakPolarHBondContact O-CA 3.44Å; P179-A182 WeakPolarHBondContact O-CB 3.43Å; P179-A182 PolarHBondContact O-N 3.15Å; A182-A184 VanDerWaalsContact C-N 3.27Å; A182-A184 PolarHBondContact O-N 3.11Å; A182-V185 PolarHBondContact O-N 2.95Å; A182-W186 WeakPolarHBondContact O-CB 3.36Å; A182-W186 PolarHBondContact O-N 2.87Å; A182-P213 HydrophobicContact CB-CB 3.66Å; A182-I214 HydrophobicContact CB-CG1 3.7Å; A182-L217 HydrophobicContact CB-CD1 3.85Å
183	S	98.4	Very high	98.1	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	15%	0.148	C	C	.	.	H	α-helix	trans	-60	-36.5	171.7	-155.6	0	0	0	0	111.8	P179 E187 M324	P179-S183 PolarHBondContact O-N 3.35Å; S183-E187 VanDerWaalsContact O-CB 3.31Å; S183-E187 WeakPolarHBondContact O-CB 3.43Å; S183-E187 PolarHBondContact O-N 3.44Å; S183-M324 WeakPolarHBondContact OG-CE 3.17Å
184	A	98.6	Very high	98.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-44.1	174.6	0	0	0	0	0	113.3	A180 T181 A182 E187 I188 V317 M320 M324	A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.28Å; A180-A184 PolarHBondContact O-N 3.41Å; T181-A184 WeakPolarHBondContact O-CB 3.39Å; T181-A184 PolarHBondContact O-N 3.12Å; A182-A184 VanDerWaalsContact C-N 3.27Å; A182-A184 PolarHBondContact O-N 3.11Å; A184-E187 PolarHBondContact O-N 3.39Å; A184-I188 VanDerWaalsContact O-CG1 3.32Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 2.93Å; A184-V317 HydrophobicContact CB-CG1 4.23Å; A184-M320 HydrophobicContact CB-CB 3.57Å; A184-M324 HydrophobicContact CB-CG 4.03Å
185	V	98.8	Very high	98.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174.3	169.1	0	0	0	0	110.9	T181 A182 E187 I188 I189 I214 I256 I277 V279 V317	T181-V185 WeakPolarHBondContact O-CG2 3.38Å; T181-V185 PolarHBondContact O-N 3.2Å; A182-V185 PolarHBondContact O-N 2.95Å; V185-E187 PolarHBondContact O-N 2.88Å; V185-I188 WeakPolarHBondContact O-CB 3.45Å; V185-I188 PolarHBondContact O-N 3.29Å; V185-I189 HydrophobicContact CG1-CD1 4.12Å; V185-I189 WeakPolarHBondContact O-CG1 3.24Å; V185-I189 PolarHBondContact O-N 3Å; V185-I214 HydrophobicContact CB-CD1 4.28Å; V185-I214 HydrophobicContact CB-CG1 4.33Å; V185-I214 HydrophobicContact CG1-CD1 4.48Å; V185-I214 HydrophobicContact CG1-CG1 4.49Å; V185-I214 HydrophobicContact CG1-CG2 4.36Å; V185-I214 HydrophobicContact CG2-CD1 3.88Å; V185-I214 HydrophobicContact CG2-CG1 4.46Å; V185-I256 HydrophobicContact CG1-CD1 3.89Å; V185-I256 HydrophobicContact CG1-CG1 4.34Å; V185-I256 HydrophobicContact CG1-CG2 4.28Å; V185-I277 HydrophobicContact CG1-CD1 4.13Å; V185-I277 HydrophobicContact CG1-CG2 4.23Å; V185-I277 HydrophobicContact CG2-CG2 3.97Å; V185-V279 HydrophobicContact CG2-CG2 3.82Å; V185-V317 HydrophobicContact CG2-CG1 3.97Å; V185-V317 HydrophobicContact CG2-CG2 4.31Å
186	W	98.6	Very high	98.3	Very high	32 Å²	32	26.9 Å²	26.9	12%	0.121	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-44.5	176.1	-171.8	-121.4	0	0	0	112.8	A182 I189 K190 L217 L218 G228	A182-W186 WeakPolarHBondContact O-CB 3.36Å; A182-W186 PolarHBondContact O-N 2.87Å; W186-I189 PolarHBondContact O-N 3.35Å; W186-K190 VanDerWaalsContact CD1-CE 3.43Å; W186-K190 HydrophobicContact CZ2-CD 4.44Å; W186-K190 WeakPolarHBondContact O-CE 3.29Å; W186-K190 WeakPolarHBondContact O-CG 3.47Å; W186-K190 PolarHBondContact O-N 3.41Å; W186-K190 VanDerWaalsContact O-N 3.12Å; W186-L217 HydrophobicContact CB-CD1 4.14Å; W186-L217 HydrophobicContact CD2-CB 4.41Å; W186-L217 HydrophobicContact CE3-CB 4.15Å; W186-L217 HydrophobicContact CG-CD1 4.47Å; W186-L218 HydrophobicContact CE3-CD2 4.08Å; W186-L218 HydrophobicContact CE3-CG 4.24Å; W186-L218 HydrophobicContact CZ3-CD2 3.66Å; W186-L218 HydrophobicContact CZ3-CG 4.05Å; W186-G228 VanDerWaalsContact CH2-C 3.49Å; W186-G228 WeakPolarHBondContact CH2-O 3.5Å; W186-G228 VanDerWaalsContact CZ2-O 3.27Å; W186-G228 WeakPolarHBondContact CZ2-O 3.32Å
187	E	98.6	Very high	98.3	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-69.2	-34.5	178.5	-163.6	76.6	171.3	0	0	112.2	I54 S183 A184 V185 K190 R191 M320 M324 K327	I54-E187 HydrophobicContact CD1-CG 3.8Å; S183-E187 VanDerWaalsContact O-CB 3.31Å; S183-E187 WeakPolarHBondContact O-CB 3.43Å; S183-E187 PolarHBondContact O-N 3.44Å; A184-E187 PolarHBondContact O-N 3.39Å; V185-E187 PolarHBondContact O-N 2.88Å; E187-K190 VanDerWaalsContact OE2-CE 3.24Å; E187-K190 WeakPolarHBondContact OE2-CE 3.48Å; E187-K190 IonicContact OE2-NZ 3.17Å; E187-K190 PolarHBondContact OE2-NZ 2.8Å; E187-R191 HydrophobicContact CG-CG 4.31Å; E187-R191 VanDerWaalsContact O-CB 3.31Å; E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.04Å; E187-R191 IonicContact OE1-CZ 2.73Å; E187-R191 VanDerWaalsContact OE1-CZ 3.29Å; E187-R191 IonicContact OE1-NE 3.29Å; E187-R191 PolarHBondContact OE1-NE 2.87Å; E187-R191 IonicContact OE1-NH2 3.66Å; E187-R191 PolarHBondContact OE1-NH2 2.84Å; E187-M320 HydrophobicContact CB-CE 3.87Å; E187-M320 HydrophobicContact CG-CE 3.96Å; E187-M324 HydrophobicContact CB-CE 4.2Å; E187-M324 HydrophobicContact CB-SD 4.33Å; E187-M324 HydrophobicContact CG-CE 4.43Å; E187-M324 HydrophobicContact CG-SD 4.32Å; E187-K327 IonicContact OE1-NZ 2.66Å
188	I	98.8	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.6	-53.9	170.2	-77.6	164	0	0	0	110.5	I45 M50 A184 V185 K190 R191 T192 I277 T311 V317 M320	I45-I188 HydrophobicContact CD1-CG2 3.87Å; I45-I188 HydrophobicContact CG2-CG2 4.04Å; M50-I188 HydrophobicContact SD-CB 4.47Å; M50-I188 HydrophobicContact SD-CG1 3.95Å; A184-I188 VanDerWaalsContact O-CG1 3.32Å; A184-I188 WeakPolarHBondContact O-CG1 3.4Å; A184-I188 PolarHBondContact O-N 2.93Å; V185-I188 WeakPolarHBondContact O-CB 3.45Å; V185-I188 PolarHBondContact O-N 3.29Å; I188-K190 PolarHBondContact O-N 3.41Å; I188-R191 PolarHBondContact O-N 3.15Å; I188-T192 VanDerWaalsContact O-CB 3.28Å; I188-T192 WeakPolarHBondContact O-CB 3.22Å; I188-T192 PolarHBondContact O-N 3.22Å; I188-T192 PolarHBondContact O-OG1 3.27Å; I188-I277 HydrophobicContact CG2-CD1 4.08Å; I188-T311 HydrophobicContact CD1-CG2 4.34Å; I188-T311 HydrophobicContact CG2-CG2 4.34Å; I188-V317 HydrophobicContact CD1-CB 4.49Å; I188-V317 HydrophobicContact CD1-CG2 3.92Å; I188-M320 HydrophobicContact CD1-CB 4.48Å; I188-M320 HydrophobicContact CD1-CG 4.1Å; I188-M320 HydrophobicContact CG1-CE 4.18Å; I188-M320 HydrophobicContact CG1-CG 4.15Å
189	I	98.7	Very high	98.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-53.6	-178	-71.4	171.4	0	0	0	110.6	V185 W186 T192 G193 I194 T196 L218 I256 I277	V185-I189 HydrophobicContact CG1-CD1 4.12Å; V185-I189 WeakPolarHBondContact O-CG1 3.24Å; V185-I189 PolarHBondContact O-N 3Å; W186-I189 PolarHBondContact O-N 3.35Å; I189-T192 PolarHBondContact O-N 2.89Å; I189-G193 PolarHBondContact O-N 2.88Å; I189-G193 VanDerWaalsContact O-N 3.14Å; I189-I194 HydrophobicContact CG2-CB 4.07Å; I189-I194 HydrophobicContact CG2-CG2 4.36Å; I189-I194 WeakPolarHBondContact CG2-O 3.39Å; I189-I194 PolarHBondContact O-N 2.92Å; I189-T196 HydrophobicContact CG2-CG2 3.49Å; I189-T196 VanDerWaalsContact CG2-CG2 3.49Å; I189-L218 HydrophobicContact CD1-CD1 4.32Å; I189-L218 HydrophobicContact CD1-CD2 3.78Å; I189-I256 HydrophobicContact CD1-CD1 4.38Å; I189-I277 HydrophobicContact CD1-CD1 3.89Å; I189-I277 HydrophobicContact CG1-CD1 3.5Å
190	K	98.2	Very high	98.4	Very high	105 Å²	105	39.7 Å²	39.7	46%	0.457	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-49.6	-179.2	-67.8	-179.5	-63.9	162.8	0	113.1	W186 E187 I188 T192 G193	W186-K190 VanDerWaalsContact CD1-CE 3.43Å; W186-K190 HydrophobicContact CZ2-CD 4.44Å; W186-K190 WeakPolarHBondContact O-CE 3.29Å; W186-K190 WeakPolarHBondContact O-CG 3.47Å; W186-K190 PolarHBondContact O-N 3.41Å; W186-K190 VanDerWaalsContact O-N 3.12Å; E187-K190 VanDerWaalsContact OE2-CE 3.24Å; E187-K190 WeakPolarHBondContact OE2-CE 3.48Å; E187-K190 IonicContact OE2-NZ 3.17Å; E187-K190 PolarHBondContact OE2-NZ 2.8Å; I188-K190 PolarHBondContact O-N 3.41Å; K190-T192 VanDerWaalsContact C-N 3.26Å; K190-T192 PolarHBondContact O-N 3.36Å; K190-G193 PolarHBondContact O-N 3.1Å; K190-G193 VanDerWaalsContact O-N 3.08Å
191	R	98.3	Very high	98.5	Very high	83 Å²	83	39.6 Å²	39.6	31%	0.313	22%	0.217	S	C	.	.	H	α-helix	trans	-70.9	-22.3	-176.5	-71.2	-174.1	-176.9	-125.6	-2.3	113.1	M50 E57 E187 I188	M50-R191 HydrophobicContact CE-CB 3.66Å; M50-R191 HydrophobicContact SD-CB 3.86Å; M50-R191 HydrophobicContact SD-CG 4.34Å; E57-R191 IonicContact OE1-CZ 2.7Å; E57-R191 IonicContact OE1-NH1 3.91Å; E57-R191 PolarHBondContact OE1-NH1 3.1Å; E57-R191 IonicContact OE1-NH2 3.7Å; E57-R191 PolarHBondContact OE1-NH2 2.87Å; E57-R191 IonicContact OE2-CZ 3.99Å; E57-R191 IonicContact OE2-NH1 3.19Å; E57-R191 IonicContact OE2-NH2 2.98Å; E57-R191 PolarHBondContact OE2-NH2 3.29Å; E187-R191 HydrophobicContact CG-CG 4.31Å; E187-R191 VanDerWaalsContact O-CB 3.31Å; E187-R191 WeakPolarHBondContact O-CB 3.48Å; E187-R191 WeakPolarHBondContact O-CG 3.46Å; E187-R191 PolarHBondContact O-N 3.04Å; E187-R191 IonicContact OE1-CZ 2.73Å; E187-R191 VanDerWaalsContact OE1-CZ 3.29Å; E187-R191 IonicContact OE1-NE 3.29Å; E187-R191 PolarHBondContact OE1-NE 2.87Å; E187-R191 IonicContact OE1-NH2 3.66Å; E187-R191 PolarHBondContact OE1-NH2 2.84Å; I188-R191 PolarHBondContact O-N 3.15Å
192	T	98.1	Very high	98.5	Very high	37 Å²	37	38.4 Å²	38.4	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	-84.6	-12.5	172.1	-57.9	0	0	0	0	112.6	I45 I188 I189 K190 I194 F309	I45-T192 HydrophobicContact CD1-CG2 3.96Å; I45-T192 HydrophobicContact CG1-CG2 4.24Å; I188-T192 VanDerWaalsContact O-CB 3.28Å; I188-T192 WeakPolarHBondContact O-CB 3.22Å; I188-T192 PolarHBondContact O-N 3.22Å; I188-T192 PolarHBondContact O-OG1 3.27Å; I189-T192 PolarHBondContact O-N 2.89Å; K190-T192 VanDerWaalsContact C-N 3.26Å; K190-T192 PolarHBondContact O-N 3.36Å; T192-I194 HydrophobicContact CG2-CD1 3.85Å; T192-I194 HydrophobicContact CG2-CG1 3.88Å; T192-F309 HydrophobicContact CG2-CD1 3.41Å; T192-F309 VanDerWaalsContact CG2-CD1 3.41Å; T192-F309 HydrophobicContact CG2-CE1 3.29Å; T192-F309 HydrophobicContact CG2-CG 4.18Å; T192-F309 HydrophobicContact CG2-CZ 3.99Å
193	G	98	Very high	98.6	Very high	64 Å²	64	38.3 Å²	38.3	66%	0.66	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	28.4	-177.5	0	0	0	0	0	113.2	I189 K190 E195	I189-G193 PolarHBondContact O-N 2.88Å; I189-G193 VanDerWaalsContact O-N 3.14Å; K190-G193 PolarHBondContact O-N 3.1Å; K190-G193 VanDerWaalsContact O-N 3.08Å; G193-E195 PolarHBondContact O-N 2.89Å
194	I	98.3	Very high	98.6	Very high	18 Å²	18	38 Å²	38	9%	0.092	21%	0.207	C	C	.	.			trans	-77.8	115.3	175.7	-63.4	165.7	0	0	0	107.9	I45 I189 T192 I254 A275 F309	I45-I194 HydrophobicContact CD1-CD1 4.16Å; I189-I194 HydrophobicContact CG2-CB 4.07Å; I189-I194 HydrophobicContact CG2-CG2 4.36Å; I189-I194 WeakPolarHBondContact CG2-O 3.39Å; I189-I194 PolarHBondContact O-N 2.92Å; T192-I194 HydrophobicContact CG2-CD1 3.85Å; T192-I194 HydrophobicContact CG2-CG1 3.88Å; I194-I254 HydrophobicContact CG2-CD1 3.67Å; I194-I254 HydrophobicContact CG2-CG1 4.09Å; I194-A275 HydrophobicContact CD1-CB 3.95Å; I194-A275 HydrophobicContact CG2-CB 4.16Å; I194-F309 HydrophobicContact CD1-CB 4.21Å; I194-F309 HydrophobicContact CD1-CD2 4.1Å; I194-F309 HydrophobicContact CD1-CG 4.07Å; I194-F309 HydrophobicContact CG1-CD2 3.89Å; I194-F309 HydrophobicContact CG1-CE2 4.02Å; I194-F309 HydrophobicContact CG1-CG 4.28Å
195	E	98.3	Very high	98.5	Very high	116 Å²	116	38.3 Å²	38.3	54%	0.542	21%	0.211	S	C	.	.			trans	-66.5	131.1	177.6	-168.5	-171.4	172.9	0	0	111	G193 K199	G193-E195 PolarHBondContact O-N 2.89Å; E195-K199 VanDerWaalsContact O-CG 3.22Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 IonicContact OE1-NZ 2.85Å; E195-K199 PolarHBondContact OE1-NZ 2.85Å; E195-K199 WeakPolarHBondContact OE2-CE 3.25Å; E195-K199 IonicContact OE2-NZ 3.02Å; E195-K199 PolarHBondContact OE2-NZ 2.74Å
196	T	98.8	Very high	98.5	Very high	21 Å²	21	43.6 Å²	43.6	13%	0.129	23%	0.231	C	C	.	.			trans	-108.5	-30.9	177.2	57	0	0	0	0	113.2	I189 G198 K199 L218 G229 A231 I254	I189-T196 HydrophobicContact CG2-CG2 3.49Å; I189-T196 VanDerWaalsContact CG2-CG2 3.49Å; T196-G198 PolarHBondContact O-N 2.92Å; T196-K199 VanDerWaalsContact O-CB 3.3Å; T196-K199 WeakPolarHBondContact O-CB 3.39Å; T196-K199 WeakPolarHBondContact O-CG 3.44Å; T196-K199 PolarHBondContact O-N 2.99Å; T196-L218 HydrophobicContact CG2-CD2 3.72Å; T196-G229 CarbonylContact C-O 3.53Å; T196-G229 VanDerWaalsContact C-O 3.22Å; T196-G229 WeakPolarHBondContact CB-O 3.21Å; T196-G229 PolarHBondContact OG1-O 2.88Å; T196-A231 WeakPolarHBondContact O-CB 3.38Å; T196-I254 HydrophobicContact CG2-CD1 4.02Å
197	F	98.6	Very high	98.3	Very high	134 Å²	134	44.3 Å²	44.3	59%	0.588	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	122.4	-175.9	-174.8	-85.4	0	0	0	111.7	K199 G229 D230	F197-K199 PolarHBondContact O-N 2.91Å; F197-K199 VanDerWaalsContact O-N 3.14Å; F197-G229 PolarHBondContact N-O 2.91Å; F197-D230 HydrophobicContact CB-CB 4.4Å; F197-D230 HydrophobicContact CD2-CB 3.38Å; F197-D230 HydrophobicContact CE2-CB 3.86Å; F197-D230 HydrophobicContact CG-CB 4.12Å
198	G	98.4	Very high	98.1	Very high	53 Å²	53	50.2 Å²	50.2	55%	0.546	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	9.6	-179	0	0	0	0	0	115.3	T196 D230	T196-G198 PolarHBondContact O-N 2.92Å; G198-D230 PolarHBondContact N-O 3.04Å
199	K	98.8	Very high	97.7	Very high	48 Å²	48	53 Å²	53	21%	0.209	28%	0.28	C	S	.	.			trans	-86.8	153.4	-179.1	-59.6	-40	-174.6	-152.4	0	112.6	E195 T196 F197 A231 T232 D253	E195-K199 VanDerWaalsContact O-CG 3.22Å; E195-K199 WeakPolarHBondContact O-CG 3.46Å; E195-K199 IonicContact OE1-NZ 2.85Å; E195-K199 PolarHBondContact OE1-NZ 2.85Å; E195-K199 WeakPolarHBondContact OE2-CE 3.25Å; E195-K199 IonicContact OE2-NZ 3.02Å; E195-K199 PolarHBondContact OE2-NZ 2.74Å; T196-K199 VanDerWaalsContact O-CB 3.3Å; T196-K199 WeakPolarHBondContact O-CB 3.39Å; T196-K199 WeakPolarHBondContact O-CG 3.44Å; T196-K199 PolarHBondContact O-N 2.99Å; F197-K199 PolarHBondContact O-N 2.91Å; F197-K199 VanDerWaalsContact O-N 3.14Å; K199-A231 CarbonylContact O-C 3.29Å; K199-T232 PolarHBondContact O-N 2.92Å; K199-D253 HydrophobicContact CB-CB 3.83Å; K199-D253 HydrophobicContact CD-CB 4.5Å; K199-D253 HydrophobicContact CG-CB 4.23Å
200	N	98.9	Very high	97.6	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.353	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	126.7	170.1	-66.4	-40.4	0	0	0	110.1	L251 A252 D253 I254	N200-L251 PolarHBondContact ND2-O 3.26Å; N200-A252 CarbonylContact O-C 3.26Å; N200-A252 WeakPolarHBondContact O-CA 3.33Å; N200-D253 WeakPolarHBondContact CB-OD2 3.43Å; N200-D253 PolarHBondContact N-OD2 3.14Å; N200-D253 WeakPolarHBondContact O-CB 3.27Å; N200-D253 PolarHBondContact O-N 3.01Å; N200-I254 PolarHBondContact O-N 3.48Å
201	V	98.9	Very high	97.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.9	179.7	177.6	0	0	0	0	109.5	V203 L218 A231 T232 V233 T234 I254 I256	V201-V203 HydrophobicContact CG1-CG2 4.18Å; V201-L218 HydrophobicContact CG1-CD1 4.19Å; V201-A231 HydrophobicContact CB-CB 4.45Å; V201-A231 HydrophobicContact CG2-CB 3.56Å; V201-T232 PolarHBondContact N-O 3.34Å; V201-V233 HydrophobicContact CB-CG2 4.02Å; V201-V233 HydrophobicContact CG1-CG2 4.31Å; V201-V233 CarbonylContact O-C 3.39Å; V201-V233 WeakPolarHBondContact O-CA 3.2Å; V201-T234 PolarHBondContact O-N 3.43Å; V201-I254 CarbonylContact C-O 3.26Å; V201-I254 VanDerWaalsContact CA-O 3.32Å; V201-I254 WeakPolarHBondContact CA-O 3.45Å; V201-I254 HydrophobicContact CG1-CB 4.46Å; V201-I254 HydrophobicContact CG2-CB 4.1Å; V201-I254 HydrophobicContact CG2-CD1 4.15Å; V201-I254 HydrophobicContact CG2-CG1 4.3Å; V201-I256 HydrophobicContact CG1-CD1 4.16Å
202	V	98.9	Very high	97.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.6	168.3	171.4	0	0	0	0	109.7	T234 L245 H248 T249 A252 I254 I256	V202-T234 WeakPolarHBondContact CA-O 3.42Å; V202-L245 HydrophobicContact CG1-CD1 4.39Å; V202-H248 HydrophobicContact CG2-CB 3.88Å; V202-H248 WeakPolarHBondContact CG2-O 3.17Å; V202-T249 HydrophobicContact CB-CG2 4.19Å; V202-T249 HydrophobicContact CG1-CG2 3.79Å; V202-T249 HydrophobicContact CG2-CG2 4.35Å; V202-A252 HydrophobicContact CB-CB 4.24Å; V202-A252 HydrophobicContact CG2-CB 3.84Å; V202-I254 PolarHBondContact N-O 3.26Å; V202-I256 PolarHBondContact O-N 3Å
203	V	98.9	Very high	97.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.1	169.5	-172.8	0	0	0	0	108.7	V201 G205 I214 A215 V233 T234 A236 I256	V201-V203 HydrophobicContact CG1-CG2 4.18Å; V203-G205 PolarHBondContact O-N 2.88Å; V203-I214 HydrophobicContact CG1-CG2 4.13Å; V203-I214 HydrophobicContact CG2-CG2 3.9Å; V203-A215 HydrophobicContact CG2-CB 4.21Å; V203-V233 HydrophobicContact CG2-CG1 3.9Å; V203-T234 PolarHBondContact N-O 2.85Å; V203-A236 PolarHBondContact O-N 2.87Å; V203-I256 CarbonylContact C-O 3.55Å; V203-I256 WeakPolarHBondContact CA-O 3.35Å; V203-I256 HydrophobicContact CG2-CD1 4.47Å
204	A	98.7	Very high	97.7	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	82.8	177.3	0	0	0	0	0	110	L245 I256 V257 A258 A259	A204-L245 HydrophobicContact CB-CD1 4.26Å; A204-I256 PolarHBondContact N-O 2.88Å; A204-V257 HydrophobicContact CB-CB 4.2Å; A204-V257 HydrophobicContact CB-CG2 3.93Å; A204-A258 CarbonylContact O-C 3.51Å; A204-A258 PolarHBondContact O-N 3.04Å; A204-A259 PolarHBondContact O-N 2.87Å
205	G	97.9	Very high	97.7	Very high	7 Å²	7	40.6 Å²	40.6	7%	0.072	21%	0.209	C	C	.	.			trans	151.2	139.2	-175.4	0	0	0	0	0	110.6	V203 G211 A236	V203-G205 PolarHBondContact O-N 2.88Å; G205-G211 WeakPolarHBondContact O-CA 3.4Å; G205-A236 PolarHBondContact N-O 2.77Å
206	R	97.5	Very high	97.7	Very high	112 Å²	112	36.8 Å²	36.8	42%	0.423	19%	0.192	S	C	.	.			trans	-130.6	22.4	-178.7	71.7	167.1	177.5	-167.8	2.2	114.8	I235 H237	R206-I235 HydrophobicContact CB-CG2 4.03Å; R206-H237 HydrophobicContact CB-CB 4.41Å; R206-H237 HydrophobicContact CG-CB 3.77Å; R206-H237 PolarHBondContact NH1-CD2 3.34Å; R206-H237 PolarHBondContact NH1-NE2 2.86Å
207	S	95.6	Very high	97.7	Very high	46 Å²	46	35.9 Å²	35.9	32%	0.322	19%	0.186	S	C	.	.			trans	-62	150.5	177.2	71.5	0	0	0	0	110.7	N209 V210 G211 M212	S207-N209 VanDerWaalsContact C-N 3.27Å; S207-N209 WeakPolarHBondContact CB-OD1 3.45Å; S207-N209 PolarHBondContact O-N 3.18Å; S207-N209 PolarHBondContact OG-OD1 2.81Å; S207-V210 WeakPolarHBondContact OG-CB 3.3Å; S207-V210 PolarHBondContact OG-N 3.32Å; S207-G211 PolarHBondContact O-N 3.3Å; S207-G211 PolarHBondContact OG-N 3.36Å; S207-M212 PolarHBondContact O-N 2.87Å
208	K	93.6	Very high	97.7	Very high	137 Å²	137	29.6 Å²	29.6	60%	0.596	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-20.7	-176.1	-59.9	-59.3	-172.7	172.6	0	113.4	M212 P213	K208-M212 HydrophobicContact CD-CE 4.38Å; K208-P213 WeakPolarHBondContact O-CD 3.4Å; K208-P213 WeakPolarHBondContact O-CG 3.43Å
209	N	90.6	Very high	97.7	Very high	57 Å²	57	31.2 Å²	31.2	31%	0.305	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-16.1	-179.9	58.9	-11.3	0	0	0	114.6	F162 S207	F162-N209 HydrophobicContact CD1-CB 4Å; F162-N209 HydrophobicContact CE1-CB 3.35Å; F162-N209 HydrophobicContact CE2-CB 4.43Å; F162-N209 HydrophobicContact CZ-CB 3.62Å; S207-N209 VanDerWaalsContact C-N 3.27Å; S207-N209 WeakPolarHBondContact CB-OD1 3.45Å; S207-N209 PolarHBondContact O-N 3.18Å; S207-N209 PolarHBondContact OG-OD1 2.81Å
210	V	96.6	Very high	97.7	Very high	20 Å²	20	29.3 Å²	29.3	12%	0.121	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	-70.7	-175.4	-177.3	0	0	0	0	111.3	T181 S207 M212 P213 I214 A258 V279	T181-V210 HydrophobicContact CG2-CG1 3.8Å; T181-V210 HydrophobicContact CG2-CG2 4.06Å; S207-V210 WeakPolarHBondContact OG-CB 3.3Å; S207-V210 PolarHBondContact OG-N 3.32Å; V210-M212 PolarHBondContact O-N 3.22Å; V210-P213 WeakPolarHBondContact O-CD 3.08Å; V210-I214 HydrophobicContact CG1-CD1 3.61Å; V210-I214 WeakPolarHBondContact O-CB 3.44Å; V210-I214 WeakPolarHBondContact O-CD1 3.5Å; V210-I214 WeakPolarHBondContact O-CG1 3.44Å; V210-I214 PolarHBondContact O-N 2.98Å; V210-A258 HydrophobicContact CG1-CB 3.68Å; V210-V279 HydrophobicContact CG1-CG1 3.79Å
211	G	98	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.1	-45.8	-169.1	0	0	0	0	0	114.4	G205 S207 A215	G205-G211 WeakPolarHBondContact O-CA 3.4Å; S207-G211 PolarHBondContact O-N 3.3Å; S207-G211 PolarHBondContact OG-N 3.36Å; G211-A215 PolarHBondContact O-N 3.24Å; G211-A215 VanDerWaalsContact O-N 3.13Å
212	M	98.4	Very high	97.6	Very high	29 Å²	29	30.3 Å²	30.3	14%	0.143	15%	0.154	C	C	.	.	H	α-helix	trans	-65.9	-51.3	178	176.6	-75.1	-68.9	0	0	111.9	I167 S207 K208 V210 I214 A215 M216	I167-M212 HydrophobicContact CD1-CE 4.35Å; I167-M212 HydrophobicContact CG2-CE 3.74Å; S207-M212 PolarHBondContact O-N 2.87Å; K208-M212 HydrophobicContact CD-CE 4.38Å; V210-M212 PolarHBondContact O-N 3.22Å; M212-I214 VanDerWaalsContact C-N 3.31Å; M212-I214 PolarHBondContact O-N 3.05Å; M212-A215 WeakPolarHBondContact O-CB 3.29Å; M212-A215 PolarHBondContact O-N 3.31Å; M212-A215 VanDerWaalsContact O-N 3.08Å; M212-M216 HydrophobicContact CG-CG 4.44Å; M212-M216 WeakPolarHBondContact O-CG 3.39Å; M212-M216 PolarHBondContact O-N 3.31Å; M212-M216 HydrophobicContact SD-CG 3.56Å; M212-M216 VanDerWaalsContact SD-CG 3.56Å; M212-M216 HydrophobicContact SD-SD 4.47Å
213	P	98.6	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-37.5	177.2	-29	37.6	0	0	0	114.2	I167 L170 P179 A182 K208 V210 M216 L217	I167-P213 HydrophobicContact CD1-CG 4.28Å; L170-P213 HydrophobicContact CD2-CB 3.81Å; P179-P213 HydrophobicContact CB-CB 4.22Å; P179-P213 HydrophobicContact CB-CG 4.28Å; P179-P213 HydrophobicContact CG-CB 3.98Å; P179-P213 HydrophobicContact CG-CG 3.85Å; A182-P213 HydrophobicContact CB-CB 3.66Å; K208-P213 WeakPolarHBondContact O-CD 3.4Å; K208-P213 WeakPolarHBondContact O-CG 3.43Å; V210-P213 WeakPolarHBondContact O-CD 3.08Å; P213-M216 PolarHBondContact O-N 2.8Å; P213-L217 WeakPolarHBondContact O-CG 3.33Å; P213-L217 PolarHBondContact O-N 3.4Å
214	I	98.8	Very high	97.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-48.6	173.4	-73.8	168.5	0	0	0	110.8	A182 V185 V203 V210 M212 M216 L217 L218 I256 V279	A182-I214 HydrophobicContact CB-CG1 3.7Å; V185-I214 HydrophobicContact CB-CD1 4.28Å; V185-I214 HydrophobicContact CB-CG1 4.33Å; V185-I214 HydrophobicContact CG1-CD1 4.48Å; V185-I214 HydrophobicContact CG1-CG1 4.49Å; V185-I214 HydrophobicContact CG1-CG2 4.36Å; V185-I214 HydrophobicContact CG2-CD1 3.88Å; V185-I214 HydrophobicContact CG2-CG1 4.46Å; V203-I214 HydrophobicContact CG1-CG2 4.13Å; V203-I214 HydrophobicContact CG2-CG2 3.9Å; V210-I214 HydrophobicContact CG1-CD1 3.61Å; V210-I214 WeakPolarHBondContact O-CB 3.44Å; V210-I214 WeakPolarHBondContact O-CD1 3.5Å; V210-I214 WeakPolarHBondContact O-CG1 3.44Å; V210-I214 PolarHBondContact O-N 2.98Å; M212-I214 VanDerWaalsContact C-N 3.31Å; M212-I214 PolarHBondContact O-N 3.05Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.94Å; I214-L217 PolarHBondContact O-N 2.92Å; I214-L218 HydrophobicContact CG2-CD1 3.69Å; I214-L218 WeakPolarHBondContact O-CD1 3.28Å; I214-L218 PolarHBondContact O-N 3.49Å; I214-I256 HydrophobicContact CD1-CG2 4.13Å; I214-I256 HydrophobicContact CG2-CB 4.48Å; I214-I256 HydrophobicContact CG2-CD1 3.65Å; I214-I256 HydrophobicContact CG2-CG2 4.07Å; I214-V279 HydrophobicContact CD1-CG2 4.37Å
215	A	98.8	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.2	-38.2	177.9	0	0	0	0	0	112.2	V203 G211 M212 L218 H219 V233 I235	V203-A215 HydrophobicContact CG2-CB 4.21Å; G211-A215 PolarHBondContact O-N 3.24Å; G211-A215 VanDerWaalsContact O-N 3.13Å; M212-A215 WeakPolarHBondContact O-CB 3.29Å; M212-A215 PolarHBondContact O-N 3.31Å; M212-A215 VanDerWaalsContact O-N 3.08Å; A215-L218 PolarHBondContact O-N 2.79Å; A215-H219 PolarHBondContact O-N 3.24Å; A215-H219 PolarHBondContact O-ND1 3.07Å; A215-V233 HydrophobicContact CB-CG1 3.88Å; A215-I235 HydrophobicContact CB-CD1 3.63Å; A215-I235 HydrophobicContact CB-CG1 3.84Å
216	M	98.6	Very high	97.3	Very high	36 Å²	36	48 Å²	48	18%	0.177	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-47.5	176.4	-62.2	-58.6	91.2	0	0	111.9	L170 M212 P213 I214 L218 H219 T220	L170-M216 HydrophobicContact CG-CB 4.46Å; M212-M216 HydrophobicContact CG-CG 4.44Å; M212-M216 WeakPolarHBondContact O-CG 3.39Å; M212-M216 PolarHBondContact O-N 3.31Å; M212-M216 HydrophobicContact SD-CG 3.56Å; M212-M216 VanDerWaalsContact SD-CG 3.56Å; M212-M216 HydrophobicContact SD-SD 4.47Å; P213-M216 PolarHBondContact O-N 2.8Å; I214-M216 VanDerWaalsContact C-N 3.31Å; I214-M216 PolarHBondContact O-N 2.94Å; M216-L218 VanDerWaalsContact C-N 3.28Å; M216-L218 PolarHBondContact O-N 2.93Å; M216-H219 WeakPolarHBondContact CA-ND1 3.48Å; M216-H219 WeakPolarHBondContact CE-CE1 3.33Å; M216-H219 PolarHBondContact O-ND1 3.39Å; M216-T220 WeakPolarHBondContact O-CB 3.33Å; M216-T220 WeakPolarHBondContact O-CG2 3.44Å; M216-T220 PolarHBondContact O-OG1 2.92Å
217	L	98.6	Very high	97.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-35.3	178	-68.9	168	0	0	0	113.5	L170 I178 A182 W186 P213 I214 G228 G229	L170-L217 HydrophobicContact CD1-CD2 3.61Å; L170-L217 HydrophobicContact CD1-CG 4.11Å; I178-L217 HydrophobicContact CD1-CD2 4.06Å; I178-L217 HydrophobicContact CG2-CD1 3.88Å; I178-L217 HydrophobicContact CG2-CD2 4.32Å; A182-L217 HydrophobicContact CB-CD1 3.85Å; W186-L217 HydrophobicContact CB-CD1 4.14Å; W186-L217 HydrophobicContact CD2-CB 4.41Å; W186-L217 HydrophobicContact CE3-CB 4.15Å; W186-L217 HydrophobicContact CG-CD1 4.47Å; P213-L217 WeakPolarHBondContact O-CG 3.33Å; P213-L217 PolarHBondContact O-N 3.4Å; I214-L217 PolarHBondContact O-N 2.92Å; L217-G228 CarbonylContact O-C 3.49Å; L217-G228 WeakPolarHBondContact O-CA 3.31Å; L217-G229 PolarHBondContact O-N 3.07Å
218	L	98.8	Very high	97.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-85.4	-32.7	-172	-78.5	155	0	0	0	114.3	W186 I189 T196 V201 I214 A215 M216 G229 D230 A231 V233 I256	W186-L218 HydrophobicContact CE3-CD2 4.08Å; W186-L218 HydrophobicContact CE3-CG 4.24Å; W186-L218 HydrophobicContact CZ3-CD2 3.66Å; W186-L218 HydrophobicContact CZ3-CG 4.05Å; I189-L218 HydrophobicContact CD1-CD1 4.32Å; I189-L218 HydrophobicContact CD1-CD2 3.78Å; T196-L218 HydrophobicContact CG2-CD2 3.72Å; V201-L218 HydrophobicContact CG1-CD1 4.19Å; I214-L218 HydrophobicContact CG2-CD1 3.69Å; I214-L218 WeakPolarHBondContact O-CD1 3.28Å; I214-L218 PolarHBondContact O-N 3.49Å; A215-L218 PolarHBondContact O-N 2.79Å; M216-L218 VanDerWaalsContact C-N 3.28Å; M216-L218 PolarHBondContact O-N 2.93Å; L218-G229 CarbonylContact O-C 3.53Å; L218-G229 VanDerWaalsContact O-C 3.26Å; L218-G229 WeakPolarHBondContact O-CA 3.4Å; L218-D230 PolarHBondContact O-N 3.43Å; L218-A231 WeakPolarHBondContact O-CB 3.5Å; L218-A231 PolarHBondContact O-N 2.87Å; L218-V233 HydrophobicContact CB-CG2 3.77Å; L218-I256 HydrophobicContact CD1-CD1 3.22Å
219	H	98.7	Very high	97.6	Very high	86 Å²	86	38 Å²	38	40%	0.398	20%	0.197	S	C	.	.	H	α-helix	trans	-91.1	-13.4	-176.7	86.3	-74.7	0	0	0	115.1	A215 M216 A231 V233	A215-H219 PolarHBondContact O-N 3.24Å; A215-H219 PolarHBondContact O-ND1 3.07Å; M216-H219 WeakPolarHBondContact CA-ND1 3.48Å; M216-H219 WeakPolarHBondContact CE-CE1 3.33Å; M216-H219 PolarHBondContact O-ND1 3.39Å; H219-A231 WeakPolarHBondContact CA-O 3.24Å; H219-A231 WeakPolarHBondContact CB-O 3.41Å; H219-V233 HydrophobicContact CB-CB 3.96Å; H219-V233 HydrophobicContact CB-CG2 3.58Å
220	T	98.4	Very high	98	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	20%	0.196	C	C	.	.	S	Bend	trans	-81.4	162.4	-172.7	45.3	0	0	0	0	112	D173 M216 R226 G228 G229 D230	D173-T220 WeakPolarHBondContact OD1-CB 3.19Å; D173-T220 WeakPolarHBondContact OD1-CG2 3.46Å; D173-T220 PolarHBondContact OD1-OG1 3.3Å; D173-T220 WeakPolarHBondContact OD2-CB 3.36Å; M216-T220 WeakPolarHBondContact O-CB 3.33Å; M216-T220 WeakPolarHBondContact O-CG2 3.44Å; M216-T220 PolarHBondContact O-OG1 2.92Å; T220-R226 PolarHBondContact OG1-NH1 3.02Å; T220-R226 PolarHBondContact OG1-NH2 3.13Å; T220-G228 CarbonylContact O-C 3.47Å; T220-G228 WeakPolarHBondContact O-CA 3.33Å; T220-G228 WeakPolarHBondContact OG1-CA 3.39Å; T220-G229 PolarHBondContact O-N 3.05Å; T220-D230 PolarHBondContact O-N 3.05Å
221	D	98.1	Very high	98.1	Very high	67 Å²	67	37.1 Å²	37.1	36%	0.358	19%	0.193	S	C	.	.			trans	-67.4	132.9	-172.1	-164.2	-48.4	0	0	0	111.6	E223 G228 D230	D221-E223 PolarHBondContact O-N 3.38Å; D221-E223 WeakPolarHBondContact OD1-CB 3.38Å; D221-E223 PolarHBondContact OD1-N 2.97Å; D221-G228 PolarHBondContact O-N 2.9Å; D221-D230 WeakPolarHBondContact CA-OD1 3.23Å
222	G	97.7	Very high	98.1	Very high	19 Å²	19	41.1 Å²	41.1	20%	0.196	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	176.4	0	0	0	0	0	114.7	P227 D230	G222-P227 VanDerWaalsContact O-CB 3.26Å; G222-P227 WeakPolarHBondContact O-CB 3.49Å; G222-D230 WeakPolarHBondContact CA-OD2 3.28Å; G222-D230 PolarHBondContact N-OD1 2.87Å; G222-D230 PolarHBondContact N-OD2 3.37Å
223	E	97.4	Very high	98.1	Very high	181 Å²	181	41.3 Å²	41.3	85%	0.846	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	1.2	-175	-58.1	-65.3	160.5	0	0	113.7	D221	D221-E223 PolarHBondContact O-N 3.38Å; D221-E223 WeakPolarHBondContact OD1-CB 3.38Å; D221-E223 PolarHBondContact OD1-N 2.97Å
224	H	97.3	Very high	98.1	Very high	90 Å²	90	43.5 Å²	43.5	42%	0.417	23%	0.234	S	C	.	.	S	Bend	trans	-76.9	164.9	176.3	-75.5	175	0	0	0	113.7	D173 R226 P227	D173-H224 HydrophobicContact CB-CB 3.58Å; D173-H224 WeakPolarHBondContact CB-ND1 3.49Å; D173-H224 IonicContact OD2-CE1 2.96Å; D173-H224 IonicContact OD2-CG 2.67Å; D173-H224 IonicContact OD2-ND1 3.35Å; D173-H224 PolarHBondContact OD2-ND1 3.43Å; H224-R226 CarbonylContact O-C 3.45Å; H224-R226 VanDerWaalsContact O-C 3.26Å; H224-R226 PolarHBondContact O-N 3.39Å; H224-R226 VanDerWaalsContact O-N 3.1Å; H224-P227 WeakPolarHBondContact O-CD 3.04Å
225	E	96.2	Very high	98.1	Very high	98 Å²	98	46.9 Å²	46.9	46%	0.458	25%	0.251	S	S	.	.	S	Bend	trans	-44.2	-47.9	-177.4	177.5	-168.2	134.6	0	0	112.2	R169 H175	R169-E225 IonicContact NH2-OE1 3.48Å; H175-E225 WeakPolarHBondContact CB-OE1 3.5Å; H175-E225 IonicContact CD2-OE1 2.7Å; H175-E225 PolarHBondContact CD2-OE1 2.85Å; H175-E225 PolarHBondContact CE1-O 3Å; H175-E225 IonicContact CG-OE1 3.42Å; H175-E225 PolarHBondContact N-OE1 3.49Å
226	R	96.3	Very high	98.1	Very high	16 Å²	16	47.1 Å²	47.1	6%	0.06	25%	0.253	C	S	.	.	S	Bend	trans	-101.4	110	162.3	-178.7	-83.3	-61.4	135.6	-14.1	107.8	L170 D173 T220 H224 G228	L170-R226 PolarHBondContact O-NH2 3.32Å; D173-R226 WeakPolarHBondContact O-CB 3.27Å; D173-R226 PolarHBondContact O-N 2.91Å; D173-R226 IonicContact OD1-CZ 3.52Å; D173-R226 VanDerWaalsContact OD1-CZ 3.29Å; D173-R226 IonicContact OD1-NH1 3.86Å; D173-R226 PolarHBondContact OD1-NH1 3.13Å; D173-R226 IonicContact OD1-NH2 2.74Å; D173-R226 PolarHBondContact OD1-NH2 3.2Å; T220-R226 PolarHBondContact OG1-NH1 3.02Å; T220-R226 PolarHBondContact OG1-NH2 3.13Å; H224-R226 CarbonylContact O-C 3.45Å; H224-R226 VanDerWaalsContact O-C 3.26Å; H224-R226 PolarHBondContact O-N 3.39Å; H224-R226 VanDerWaalsContact O-N 3.1Å; R226-G228 PolarHBondContact O-N 3.45Å
227	P	96.8	Very high	98.1	Very high	74 Å²	74	48.4 Å²	48.4	48%	0.481	26%	0.259	S	S	.	.			trans	-56	126	176.6	-32.8	38.9	0	0	0	113.1	G222 H224	G222-P227 VanDerWaalsContact O-CB 3.26Å; G222-P227 WeakPolarHBondContact O-CB 3.49Å; H224-P227 WeakPolarHBondContact O-CD 3.04Å
228	G	97.8	Very high	98.1	Very high	8 Å²	8	58 Å²	58	8%	0.082	30%	0.295	C	S	.	.			trans	-84.8	-149.5	169.2	0	0	0	0	0	112.5	W186 L217 T220 D221 R226	W186-G228 VanDerWaalsContact CH2-C 3.49Å; W186-G228 WeakPolarHBondContact CH2-O 3.5Å; W186-G228 VanDerWaalsContact CZ2-O 3.27Å; W186-G228 WeakPolarHBondContact CZ2-O 3.32Å; L217-G228 CarbonylContact O-C 3.49Å; L217-G228 WeakPolarHBondContact O-CA 3.31Å; T220-G228 CarbonylContact O-C 3.47Å; T220-G228 WeakPolarHBondContact O-CA 3.33Å; T220-G228 WeakPolarHBondContact OG1-CA 3.39Å; D221-G228 PolarHBondContact O-N 2.9Å; R226-G228 PolarHBondContact O-N 3.45Å
229	G	98.5	Very high	98.1	Very high	2 Å²	2	66 Å²	66	2%	0.021	33%	0.326	C	S	.	.			trans	-133.6	-2.1	-171.8	0	0	0	0	0	116.7	T196 F197 L217 L218 T220 A231	T196-G229 CarbonylContact C-O 3.53Å; T196-G229 VanDerWaalsContact C-O 3.22Å; T196-G229 WeakPolarHBondContact CB-O 3.21Å; T196-G229 PolarHBondContact OG1-O 2.88Å; F197-G229 PolarHBondContact N-O 2.91Å; L217-G229 PolarHBondContact O-N 3.07Å; L218-G229 CarbonylContact O-C 3.53Å; L218-G229 VanDerWaalsContact O-C 3.26Å; L218-G229 WeakPolarHBondContact O-CA 3.4Å; T220-G229 PolarHBondContact O-N 3.05Å; G229-A231 PolarHBondContact O-N 3.22Å; G229-A231 VanDerWaalsContact O-N 3.08Å
230	D	98.8	Very high	98.1	Very high	52 Å²	52	63.6 Å²	63.6	28%	0.278	32%	0.317	S	S	.	.			trans	52.6	29.8	175.5	-59.2	-67.6	0	0	0	114.9	F197 G198 L218 T220 D221 G222	F197-D230 HydrophobicContact CB-CB 4.4Å; F197-D230 HydrophobicContact CD2-CB 3.38Å; F197-D230 HydrophobicContact CE2-CB 3.86Å; F197-D230 HydrophobicContact CG-CB 4.12Å; G198-D230 PolarHBondContact N-O 3.04Å; L218-D230 PolarHBondContact O-N 3.43Å; T220-D230 PolarHBondContact O-N 3.05Å; D221-D230 WeakPolarHBondContact CA-OD1 3.23Å; G222-D230 WeakPolarHBondContact CA-OD2 3.28Å; G222-D230 PolarHBondContact N-OD1 2.87Å; G222-D230 PolarHBondContact N-OD2 3.37Å
231	A	98.8	Very high	98.1	Very high	7 Å²	7	67 Å²	67	6%	0.058	34%	0.339	C	S	.	.			trans	-95.3	145.8	-177.1	0	0	0	0	0	112.8	T196 K199 V201 L218 H219 G229 V233	T196-A231 WeakPolarHBondContact O-CB 3.38Å; K199-A231 CarbonylContact O-C 3.29Å; V201-A231 HydrophobicContact CB-CB 4.45Å; V201-A231 HydrophobicContact CG2-CB 3.56Å; L218-A231 WeakPolarHBondContact O-CB 3.5Å; L218-A231 PolarHBondContact O-N 2.87Å; H219-A231 WeakPolarHBondContact CA-O 3.24Å; H219-A231 WeakPolarHBondContact CB-O 3.41Å; G229-A231 PolarHBondContact O-N 3.22Å; G229-A231 VanDerWaalsContact O-N 3.08Å; A231-V233 HydrophobicContact CB-CG2 4.24Å; A231-V233 PolarHBondContact O-N 3.03Å; A231-V233 VanDerWaalsContact O-N 3.08Å
232	T	98.9	Very high	98.1	Very high	84 Å²	84	69 Å²	69	52%	0.515	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	95	169.4	-59.7	0	0	0	0	109.2	K199 V201	K199-T232 PolarHBondContact O-N 2.92Å; V201-T232 PolarHBondContact N-O 3.34Å
233	V	98.9	Very high	98.1	Very high	34 Å²	34	74 Å²	74	21%	0.206	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	123.8	-175.4	-178.6	0	0	0	0	112.5	V201 V203 A215 L218 H219 A231 I235	V201-V233 HydrophobicContact CB-CG2 4.02Å; V201-V233 HydrophobicContact CG1-CG2 4.31Å; V201-V233 CarbonylContact O-C 3.39Å; V201-V233 WeakPolarHBondContact O-CA 3.2Å; V203-V233 HydrophobicContact CG2-CG1 3.9Å; A215-V233 HydrophobicContact CB-CG1 3.88Å; L218-V233 HydrophobicContact CB-CG2 3.77Å; H219-V233 HydrophobicContact CB-CB 3.96Å; H219-V233 HydrophobicContact CB-CG2 3.58Å; A231-V233 HydrophobicContact CB-CG2 4.24Å; A231-V233 PolarHBondContact O-N 3.03Å; A231-V233 VanDerWaalsContact O-N 3.08Å; V233-I235 HydrophobicContact CG1-CG1 4.24Å
234	T	98.9	Very high	98.2	Very high	45 Å²	45	70.1 Å²	70.1	28%	0.276	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.7	165.2	-61.8	0	0	0	0	110.2	V201 V202 V203 H248	V201-T234 PolarHBondContact O-N 3.43Å; V202-T234 WeakPolarHBondContact CA-O 3.42Å; V203-T234 PolarHBondContact N-O 2.85Å; T234-H248 HydrophobicContact CG2-CB 4.1Å
235	I	98.9	Very high	98.2	Very high	73 Å²	73	66.4 Å²	66.4	37%	0.374	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	122.3	176.2	-55.6	175	0	0	0	109.7	R206 A215 V233	R206-I235 HydrophobicContact CB-CG2 4.03Å; A215-I235 HydrophobicContact CB-CD1 3.63Å; A215-I235 HydrophobicContact CB-CG1 3.84Å; V233-I235 HydrophobicContact CG1-CG1 4.24Å
236	A	98.7	Very high	98.4	Very high	5 Å²	5	64.3 Å²	64.3	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	157.3	173.1	0	0	0	0	0	111.8	V203 G205 T240 L245	V203-A236 PolarHBondContact O-N 2.87Å; G205-A236 PolarHBondContact N-O 2.77Å; A236-T240 HydrophobicContact CB-CG2 4.11Å; A236-L245 HydrophobicContact CB-CD1 3.61Å
237	H	98.6	Very high	98.5	Very high	62 Å²	62	67 Å²	67	29%	0.287	33%	0.332	S	S	.	.			trans	-158.4	178.4	-172	55.8	41.3	0	0	0	112.4	R206 Y239 T240	R206-H237 HydrophobicContact CB-CB 4.41Å; R206-H237 HydrophobicContact CG-CB 3.77Å; R206-H237 PolarHBondContact NH1-CD2 3.34Å; R206-H237 PolarHBondContact NH1-NE2 2.86Å; H237-Y239 PolarHBondContact ND1-N 3.04Å; H237-Y239 PolarHBondContact O-N 3.49Å; H237-T240 PolarHBondContact N-OG1 3.39Å; H237-T240 PolarHBondContact ND1-N 3.15Å; H237-T240 PolarHBondContact ND1-OG1 2.88Å; H237-T240 VanDerWaalsContact O-CB 3.25Å; H237-T240 WeakPolarHBondContact O-CB 3.16Å; H237-T240 PolarHBondContact O-N 3.04Å; H237-T240 PolarHBondContact O-OG1 2.86Å
238	R	97.9	Very high	98.6	Very high	203 Å²	203	66.7 Å²	66.7	77%	0.766	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-22.9	-177.4	59.1	170.4	154	-94.9	5.6	117.4
239	Y	98.5	Very high	98.6	Very high	172 Å²	172	66.3 Å²	66.3	68%	0.675	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	5	175	-55	-60	0	0	0	114.4	H237 P241	H237-Y239 PolarHBondContact ND1-N 3.04Å; H237-Y239 PolarHBondContact O-N 3.49Å; Y239-P241 WeakPolarHBondContact O-CD 3.46Å
240	T	98.6	Very high	98.6	Very high	35 Å²	35	70.3 Å²	70.3	22%	0.215	34%	0.339	C	S	.	.	S	Bend	trans	-79.9	117.1	173	-54.7	0	0	0	0	107.7	A236 H237 Q244 L245	A236-T240 HydrophobicContact CB-CG2 4.11Å; H237-T240 PolarHBondContact N-OG1 3.39Å; H237-T240 PolarHBondContact ND1-N 3.15Å; H237-T240 PolarHBondContact ND1-OG1 2.88Å; H237-T240 VanDerWaalsContact O-CB 3.25Å; H237-T240 WeakPolarHBondContact O-CB 3.16Å; H237-T240 PolarHBondContact O-N 3.04Å; H237-T240 PolarHBondContact O-OG1 2.86Å; T240-Q244 HydrophobicContact CG2-CB 4.14Å; T240-L245 HydrophobicContact CG2-CB 4.14Å
241	P	98.5	Very high	98.5	Very high	79 Å²	79	72.7 Å²	72.7	51%	0.513	35%	0.351	S	S	.	.			trans	-59.4	147	177.9	-23.6	34.6	0	0	0	111.3	Y239 E243 Q244 L245	Y239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-E243 PolarHBondContact O-N 3.08Å; P241-Q244 HydrophobicContact CB-CB 4.49Å; P241-Q244 HydrophobicContact CB-CG 4.25Å; P241-Q244 HydrophobicContact CG-CG 4.22Å; P241-Q244 PolarHBondContact O-N 2.82Å; P241-L245 PolarHBondContact O-N 2.79Å
242	R	97.8	Very high	98.5	Very high	110 Å²	110	72.4 Å²	72.4	42%	0.415	35%	0.348	S	S	.	.	H	α-helix	trans	-55.8	-39.1	-176.8	-174.5	171.5	177.5	77.1	6.6	112.7	L245 K246 L264 T266 M269	R242-L245 PolarHBondContact O-N 3.46Å; R242-K246 WeakPolarHBondContact O-CB 3.2Å; R242-K246 PolarHBondContact O-N 2.93Å; R242-L264 PolarHBondContact NH1-O 3.14Å; R242-T266 PolarHBondContact NH2-OG1 3.26Å; R242-T266 VanDerWaalsContact NH2-OG1 3.07Å; R242-M269 PolarHBondContact NH2-SD 3.33Å
243	E	98.1	Very high	98.5	Very high	125 Å²	125	70 Å²	70	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-64.2	-39.5	176.4	-56.4	-45.5	123	0	0	112.6	P241 K246 V247	P241-E243 PolarHBondContact O-N 3.08Å; E243-K246 PolarHBondContact O-N 2.98Å; E243-V247 WeakPolarHBondContact O-CG2 3.12Å; E243-V247 PolarHBondContact O-N 3.29Å
244	Q	98.7	Very high	98.5	Very high	98 Å²	98	68.4 Å²	68.4	46%	0.458	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-42.2	176.3	-65.1	-61.7	-32.2	0	0	111.3	T240 P241 K246 V247 H248	T240-Q244 HydrophobicContact CG2-CB 4.14Å; P241-Q244 HydrophobicContact CB-CB 4.49Å; P241-Q244 HydrophobicContact CB-CG 4.25Å; P241-Q244 HydrophobicContact CG-CG 4.22Å; P241-Q244 PolarHBondContact O-N 2.82Å; Q244-K246 VanDerWaalsContact C-N 3.28Å; Q244-K246 PolarHBondContact O-N 2.98Å; Q244-V247 PolarHBondContact O-N 2.76Å; Q244-H248 PolarHBondContact O-CD2 3.11Å; Q244-H248 PolarHBondContact O-N 2.81Å; Q244-H248 VanDerWaalsContact O-N 3.13Å
245	L	98.8	Very high	98.5	Very high	12 Å²	12	66.3 Å²	66.3	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-56.3	-45.5	172.8	177	62.8	0	0	0	110.7	V202 A204 A236 T240 P241 R242 H248 T249 L264 I265 M269	V202-L245 HydrophobicContact CG1-CD1 4.39Å; A204-L245 HydrophobicContact CB-CD1 4.26Å; A236-L245 HydrophobicContact CB-CD1 3.61Å; T240-L245 HydrophobicContact CG2-CB 4.14Å; P241-L245 PolarHBondContact O-N 2.79Å; R242-L245 PolarHBondContact O-N 3.46Å; L245-H248 PolarHBondContact O-N 3.32Å; L245-T249 HydrophobicContact CD1-CG2 4.01Å; L245-T249 HydrophobicContact CG-CG2 4.44Å; L245-T249 WeakPolarHBondContact O-CG2 3.12Å; L245-T249 PolarHBondContact O-N 3.12Å; L245-T249 PolarHBondContact O-OG1 2.77Å; L245-L264 HydrophobicContact CD2-CD1 3.96Å; L245-L264 HydrophobicContact CD2-CD2 4.41Å; L245-L264 HydrophobicContact CD2-CG 4.17Å; L245-I265 HydrophobicContact CD2-CD1 4.41Å; L245-M269 HydrophobicContact CB-CE 4.39Å; L245-M269 HydrophobicContact CD2-CE 3.73Å; L245-M269 HydrophobicContact CG-CE 3.6Å
246	K	98.7	Very high	98.5	Very high	55 Å²	55	62.8 Å²	62.8	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-46	177.4	176.1	169.5	174.4	170.9	0	112.8	R242 E243 Q244 H248 T249 Q250 D268 M269	R242-K246 WeakPolarHBondContact O-CB 3.2Å; R242-K246 PolarHBondContact O-N 2.93Å; E243-K246 PolarHBondContact O-N 2.98Å; Q244-K246 VanDerWaalsContact C-N 3.28Å; Q244-K246 PolarHBondContact O-N 2.98Å; K246-H248 VanDerWaalsContact C-N 3.34Å; K246-H248 PolarHBondContact O-N 2.78Å; K246-T249 WeakPolarHBondContact CA-OG1 3.37Å; K246-T249 PolarHBondContact O-N 2.72Å; K246-T249 PolarHBondContact O-OG1 2.77Å; K246-T249 VanDerWaalsContact O-OG1 3.12Å; K246-Q250 HydrophobicContact CG-CG 4.35Å; K246-Q250 WeakPolarHBondContact O-CB 3.35Å; K246-Q250 VanDerWaalsContact O-CG 3.27Å; K246-Q250 WeakPolarHBondContact O-CG 3.37Å; K246-Q250 PolarHBondContact O-N 2.89Å; K246-D268 VanDerWaalsContact CE-OD2 3.25Å; K246-D268 WeakPolarHBondContact CE-OD2 3.35Å; K246-D268 IonicContact NZ-OD2 3.39Å; K246-D268 PolarHBondContact NZ-OD2 2.88Å; K246-M269 HydrophobicContact CB-CE 4.43Å; K246-M269 HydrophobicContact CB-CG 4.15Å; K246-M269 HydrophobicContact CD-CG 4.34Å; K246-M269 HydrophobicContact CG-CG 4.06Å
247	V	98.6	Very high	98.5	Very high	71 Å²	71	62.6 Å²	62.6	43%	0.43	29%	0.29	S	S	.	.	H	α-helix	trans	-55.5	-49.3	176.5	167.1	0	0	0	0	110.8	E243 Q244 L251	E243-V247 WeakPolarHBondContact O-CG2 3.12Å; E243-V247 PolarHBondContact O-N 3.29Å; Q244-V247 PolarHBondContact O-N 2.76Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å
248	H	98.8	Very high	98.5	Very high	68 Å²	68	60.6 Å²	60.6	32%	0.315	28%	0.284	S	S	.	.	H	α-helix	trans	-69	-41.3	-179.5	-68.2	-68.7	0	0	0	113	V202 T234 Q244 L245 K246 Q250 L251 A252	V202-H248 HydrophobicContact CG2-CB 3.88Å; V202-H248 WeakPolarHBondContact CG2-O 3.17Å; T234-H248 HydrophobicContact CG2-CB 4.1Å; Q244-H248 PolarHBondContact O-CD2 3.11Å; Q244-H248 PolarHBondContact O-N 2.81Å; Q244-H248 VanDerWaalsContact O-N 3.13Å; L245-H248 PolarHBondContact O-N 3.32Å; K246-H248 VanDerWaalsContact C-N 3.34Å; K246-H248 PolarHBondContact O-N 2.78Å; H248-Q250 VanDerWaalsContact C-N 3.3Å; H248-Q250 PolarHBondContact O-N 3.44Å; H248-L251 PolarHBondContact O-N 3.06Å; H248-L251 VanDerWaalsContact O-N 3.15Å; H248-A252 PolarHBondContact O-N 3.38Å
249	T	98.7	Very high	98.5	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.9	-28.9	179.1	53.2	0	0	0	0	113	V202 L245 K246 L251 A252 I255 I265 M269	V202-T249 HydrophobicContact CB-CG2 4.19Å; V202-T249 HydrophobicContact CG1-CG2 3.79Å; V202-T249 HydrophobicContact CG2-CG2 4.35Å; L245-T249 HydrophobicContact CD1-CG2 4.01Å; L245-T249 HydrophobicContact CG-CG2 4.44Å; L245-T249 WeakPolarHBondContact O-CG2 3.12Å; L245-T249 PolarHBondContact O-N 3.12Å; L245-T249 PolarHBondContact O-OG1 2.77Å; K246-T249 WeakPolarHBondContact CA-OG1 3.37Å; K246-T249 PolarHBondContact O-N 2.72Å; K246-T249 PolarHBondContact O-OG1 2.77Å; K246-T249 VanDerWaalsContact O-OG1 3.12Å; T249-L251 VanDerWaalsContact C-N 3.25Å; T249-L251 PolarHBondContact O-N 3.03Å; T249-A252 PolarHBondContact O-N 3.26Å; T249-I255 HydrophobicContact CG2-CD1 4.23Å; T249-I255 HydrophobicContact CG2-CG1 4.33Å; T249-I255 HydrophobicContact CG2-CG2 4.26Å; T249-I265 HydrophobicContact CG2-CD1 4.26Å; T249-M269 CarbonylContact C-O 3.42Å; T249-M269 VanDerWaalsContact CB-O 3.27Å; T249-M269 WeakPolarHBondContact CB-O 3.1Å; T249-M269 WeakPolarHBondContact OG1-CB 3.43Å; T249-M269 PolarHBondContact OG1-O 2.97Å
250	Q	98.3	Very high	98.3	Very high	86 Å²	86	46.9 Å²	46.9	40%	0.402	25%	0.254	S	S	.	.	H	α-helix	trans	-69.3	-22.5	173.8	-75.7	-179.6	-23.4	0	0	113	K246 H248 D268 M269 R271	K246-Q250 HydrophobicContact CG-CG 4.35Å; K246-Q250 WeakPolarHBondContact O-CB 3.35Å; K246-Q250 VanDerWaalsContact O-CG 3.27Å; K246-Q250 WeakPolarHBondContact O-CG 3.37Å; K246-Q250 PolarHBondContact O-N 2.89Å; H248-Q250 VanDerWaalsContact C-N 3.3Å; H248-Q250 PolarHBondContact O-N 3.44Å; Q250-D268 PolarHBondContact NE2-O 3.09Å; Q250-M269 PolarHBondContact N-O 3Å; Q250-R271 WeakPolarHBondContact O-CB 3.43Å; Q250-R271 WeakPolarHBondContact O-CD 3.31Å
251	L	98	Very high	98.3	Very high	103 Å²	103	49.2 Å²	49.2	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-87.3	-20.4	174.4	-62.7	173.3	0	0	0	112.8	N200 V247 H248 T249 R271	N200-L251 PolarHBondContact ND2-O 3.26Å; V247-L251 WeakPolarHBondContact O-CG 3.45Å; H248-L251 PolarHBondContact O-N 3.06Å; H248-L251 VanDerWaalsContact O-N 3.15Å; T249-L251 VanDerWaalsContact C-N 3.25Å; T249-L251 PolarHBondContact O-N 3.03Å; L251-R271 PolarHBondContact O-NH1 3Å
252	A	98.8	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.257	C	S	.	.			trans	-72.4	132	-170.4	0	0	0	0	0	114.2	N200 V202 H248 T249 I255 R271	N200-A252 CarbonylContact O-C 3.26Å; N200-A252 WeakPolarHBondContact O-CA 3.33Å; V202-A252 HydrophobicContact CB-CB 4.24Å; V202-A252 HydrophobicContact CG2-CB 3.84Å; H248-A252 PolarHBondContact O-N 3.38Å; T249-A252 PolarHBondContact O-N 3.26Å; A252-I255 HydrophobicContact CB-CG1 3.77Å; A252-R271 WeakPolarHBondContact O-CD 3.2Å; A252-R271 VanDerWaalsContact O-CG 3.27Å; A252-R271 WeakPolarHBondContact O-CG 3.18Å; A252-R271 PolarHBondContact O-NE 2.7Å
253	D	98.8	Very high	98.2	Very high	34 Å²	34	51 Å²	51	18%	0.182	27%	0.268	C	S	.	.	S	Bend	trans	-73.2	-35.8	165	-59.6	-98	0	0	0	110.9	K199 N200 R271 A274 A275	K199-D253 HydrophobicContact CB-CB 3.83Å; K199-D253 HydrophobicContact CD-CB 4.5Å; K199-D253 HydrophobicContact CG-CB 4.23Å; N200-D253 WeakPolarHBondContact CB-OD2 3.43Å; N200-D253 PolarHBondContact N-OD2 3.14Å; N200-D253 WeakPolarHBondContact O-CB 3.27Å; N200-D253 PolarHBondContact O-N 3.01Å; D253-R271 VanDerWaalsContact CG-NH2 3.26Å; D253-R271 IonicContact OD1-CZ 2.69Å; D253-R271 IonicContact OD1-NH1 3.9Å; D253-R271 PolarHBondContact OD1-NH1 2.82Å; D253-R271 VanDerWaalsContact OD1-NH1 3.17Å; D253-R271 IonicContact OD1-NH2 3.84Å; D253-R271 PolarHBondContact OD1-NH2 3.03Å; D253-R271 IonicContact OD2-CZ 3.68Å; D253-R271 IonicContact OD2-NH1 2.7Å; D253-R271 PolarHBondContact OD2-NH1 3.39Å; D253-R271 IonicContact OD2-NH2 2.71Å; D253-A274 CarbonylContact O-C 3.55Å; D253-A274 VanDerWaalsContact O-CA 3.29Å; D253-A274 WeakPolarHBondContact O-CA 3.41Å; D253-A275 PolarHBondContact O-N 3.03Å
254	I	98.9	Very high	98.2	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.7	179.2	-43.2	177.6	0	0	0	109.5	I194 T196 N200 V201 V202 I256 A275	I194-I254 HydrophobicContact CG2-CD1 3.67Å; I194-I254 HydrophobicContact CG2-CG1 4.09Å; T196-I254 HydrophobicContact CG2-CD1 4.02Å; N200-I254 PolarHBondContact O-N 3.48Å; V201-I254 CarbonylContact C-O 3.26Å; V201-I254 VanDerWaalsContact CA-O 3.32Å; V201-I254 WeakPolarHBondContact CA-O 3.45Å; V201-I254 HydrophobicContact CG1-CB 4.46Å; V201-I254 HydrophobicContact CG2-CB 4.1Å; V201-I254 HydrophobicContact CG2-CD1 4.15Å; V201-I254 HydrophobicContact CG2-CG1 4.3Å; V202-I254 PolarHBondContact N-O 3.26Å; I254-I256 HydrophobicContact CG2-CD1 4.38Å; I254-I256 HydrophobicContact CG2-CG1 4.08Å; I254-A275 CarbonylContact C-O 3.22Å; I254-A275 WeakPolarHBondContact CA-O 3.38Å; I254-A275 HydrophobicContact CG1-CB 4.49Å; I254-A275 HydrophobicContact CG2-CB 4.26Å
255	I	98.9	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.5	173.1	-59.4	166.3	0	0	0	108	T249 A252 I265 V270 A275 V276 I277	T249-I255 HydrophobicContact CG2-CD1 4.23Å; T249-I255 HydrophobicContact CG2-CG1 4.33Å; T249-I255 HydrophobicContact CG2-CG2 4.26Å; A252-I255 HydrophobicContact CB-CG1 3.77Å; I255-I265 HydrophobicContact CG2-CD1 4.4Å; I255-I265 HydrophobicContact CG2-CG1 4.42Å; I255-I265 HydrophobicContact CG2-CG2 4.48Å; I255-V270 HydrophobicContact CD1-CB 4.26Å; I255-V270 HydrophobicContact CD1-CG1 4.18Å; I255-V270 HydrophobicContact CD1-CG2 3.81Å; I255-A275 PolarHBondContact N-O 3.23Å; I255-V276 HydrophobicContact CB-CG2 4.46Å; I255-V276 CarbonylContact O-C 3.39Å; I255-V276 WeakPolarHBondContact O-CA 3.43Å; I255-I277 PolarHBondContact O-N 3.4Å
256	I	98.9	Very high	98.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.3	174.7	-56.1	160.8	0	0	0	107.4	V185 I189 V201 V202 V203 A204 I214 L218 I254 I277 V279	V185-I256 HydrophobicContact CG1-CD1 3.89Å; V185-I256 HydrophobicContact CG1-CG1 4.34Å; V185-I256 HydrophobicContact CG1-CG2 4.28Å; I189-I256 HydrophobicContact CD1-CD1 4.38Å; V201-I256 HydrophobicContact CG1-CD1 4.16Å; V202-I256 PolarHBondContact O-N 3Å; V203-I256 CarbonylContact C-O 3.55Å; V203-I256 WeakPolarHBondContact CA-O 3.35Å; V203-I256 HydrophobicContact CG2-CD1 4.47Å; A204-I256 PolarHBondContact N-O 2.88Å; I214-I256 HydrophobicContact CD1-CG2 4.13Å; I214-I256 HydrophobicContact CG2-CB 4.48Å; I214-I256 HydrophobicContact CG2-CD1 3.65Å; I214-I256 HydrophobicContact CG2-CG2 4.07Å; L218-I256 HydrophobicContact CD1-CD1 3.22Å; I254-I256 HydrophobicContact CG2-CD1 4.38Å; I254-I256 HydrophobicContact CG2-CG1 4.08Å; I256-I277 WeakPolarHBondContact CA-O 3.41Å; I256-I277 HydrophobicContact CG1-CB 4.14Å; I256-I277 HydrophobicContact CG1-CD1 4.4Å; I256-I277 HydrophobicContact CG2-CB 4.47Å; I256-I277 HydrophobicContact CG2-CG2 4.45Å; I256-V279 HydrophobicContact CG2-CG2 3.82Å
257	V	98.6	Very high	98.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.3	-177.8	61.2	0	0	0	0	111.1	A204 A259 L264 I265 I277 D278 V279 D297 V298	A204-V257 HydrophobicContact CB-CB 4.2Å; A204-V257 HydrophobicContact CB-CG2 3.93Å; V257-A259 HydrophobicContact CG2-CB 4.22Å; V257-L264 HydrophobicContact CG2-CD2 4.07Å; V257-I265 HydrophobicContact CB-CG1 4Å; V257-I265 HydrophobicContact CG1-CG1 4.17Å; V257-I265 HydrophobicContact CG2-CG1 3.98Å; V257-I277 PolarHBondContact N-O 2.95Å; V257-D278 HydrophobicContact CG1-CB 4.38Å; V257-V279 WeakPolarHBondContact O-CA 3.41Å; V257-V279 WeakPolarHBondContact O-CB 3.15Å; V257-V279 WeakPolarHBondContact O-CG2 3.36Å; V257-V279 PolarHBondContact O-N 3.47Å; V257-D297 HydrophobicContact CB-CB 4.24Å; V257-D297 HydrophobicContact CG1-CB 3.8Å; V257-D297 HydrophobicContact CG2-CB 3.43Å; V257-D297 VanDerWaalsContact CG2-CB 3.43Å; V257-V298 HydrophobicContact CG1-CG2 3.51Å
258	A	97.5	Very high	98.1	Very high	21 Å²	21	40.9 Å²	40.9	17%	0.174	23%	0.225	C	C	.	.			trans	-147.3	52.8	-174.5	0	0	0	0	0	109	A204 V210 V279	A204-A258 CarbonylContact O-C 3.51Å; A204-A258 PolarHBondContact O-N 3.04Å; V210-A258 HydrophobicContact CG1-CB 3.68Å; A258-V279 HydrophobicContact CB-CB 3.91Å; A258-V279 HydrophobicContact CB-CG1 4.34Å; A258-V279 HydrophobicContact CB-CG2 4.32Å
259	A	97.2	Very high	98.1	Very high	43 Å²	43	37.7 Å²	37.7	36%	0.355	21%	0.21	S	C	.	.	S	Bend	trans	-105.5	-27.4	-171.2	0	0	0	0	0	113.4	A204 V257 I261 L264 D297	A204-A259 PolarHBondContact O-N 2.87Å; V257-A259 HydrophobicContact CG2-CB 4.22Å; A259-I261 HydrophobicContact CB-CD1 4.38Å; A259-I261 HydrophobicContact CB-CG1 4.29Å; A259-L264 HydrophobicContact CB-CD2 3.54Å; A259-D297 WeakPolarHBondContact CA-OD2 3.32Å; A259-D297 PolarHBondContact N-OD2 3.46Å
260	G	96.1	Very high	98.1	Very high	43 Å²	43	37.7 Å²	37.7	44%	0.443	21%	0.211	S	C	.	.			trans	71	44.5	-173.1	0	0	0	0	0	112	N282 D297	G260-N282 WeakPolarHBondContact CA-OD1 3.49Å; G260-N282 PolarHBondContact O-OD1 3.16Å; G260-D297 WeakPolarHBondContact CA-OD1 3.4Å; G260-D297 PolarHBondContact N-OD1 3.16Å; G260-D297 PolarHBondContact N-OD2 3.09Å
261	I	97.4	Very high	97.9	Very high	84 Å²	84	37.3 Å²	37.3	43%	0.431	21%	0.206	S	C	.	.			trans	-137.4	105.1	-177.8	-58.3	178.8	0	0	0	108.4	A259 R263 L264 N282 D297	A259-I261 HydrophobicContact CB-CD1 4.38Å; A259-I261 HydrophobicContact CB-CG1 4.29Å; I261-R263 PolarHBondContact O-N 3.32Å; I261-L264 HydrophobicContact CB-CB 4.08Å; I261-L264 HydrophobicContact CB-CD2 4.41Å; I261-L264 HydrophobicContact CG2-CB 4.04Å; I261-L264 HydrophobicContact CG2-CD1 4.4Å; I261-L264 WeakPolarHBondContact O-CB 3.46Å; I261-L264 PolarHBondContact O-N 3.49Å; I261-N282 PolarHBondContact N-OD1 3.03Å; I261-D297 PolarHBondContact N-OD1 3.41Å; I261-D297 WeakPolarHBondContact O-CA 3.16Å; I261-D297 WeakPolarHBondContact O-CB 3.42Å
262	P	97.3	Very high	97.9	Very high	55 Å²	55	38 Å²	38	36%	0.357	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	130.1	-179.3	-25.6	32.9	0	0	0	113.2	L264 N282 V284 V295	P262-L264 PolarHBondContact O-N 2.92Å; P262-N282 HydrophobicContact CG-CB 3.67Å; P262-V284 HydrophobicContact CG-CG1 4.13Å; P262-V295 HydrophobicContact CB-CG2 4.34Å
263	R	96.4	Very high	97.7	Very high	172 Å²	172	39.9 Å²	39.9	65%	0.649	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	32.1	179.7	-53.1	179.8	-66.5	-173	-1.4	114	I261 I265 D297 D299	I261-R263 PolarHBondContact O-N 3.32Å; R263-I265 VanDerWaalsContact C-N 3.33Å; R263-D297 CarbonylContact C-O 3.59Å; R263-D297 WeakPolarHBondContact CA-O 3.16Å; R263-D297 PolarHBondContact N-O 3.33Å; R263-D299 HydrophobicContact CB-CB 4.32Å; R263-D299 HydrophobicContact CG-CB 4.27Å
264	L	98.4	Very high	97.7	Very high	27 Å²	27	38.2 Å²	38.2	14%	0.141	22%	0.217	C	C	.	.			trans	-56.9	-47.4	170.3	177.2	61.1	0	0	0	111.4	R242 L245 V257 A259 I261 P262 M269 D297	R242-L264 PolarHBondContact NH1-O 3.14Å; L245-L264 HydrophobicContact CD2-CD1 3.96Å; L245-L264 HydrophobicContact CD2-CD2 4.41Å; L245-L264 HydrophobicContact CD2-CG 4.17Å; V257-L264 HydrophobicContact CG2-CD2 4.07Å; A259-L264 HydrophobicContact CB-CD2 3.54Å; I261-L264 HydrophobicContact CB-CB 4.08Å; I261-L264 HydrophobicContact CB-CD2 4.41Å; I261-L264 HydrophobicContact CG2-CB 4.04Å; I261-L264 HydrophobicContact CG2-CD1 4.4Å; I261-L264 WeakPolarHBondContact O-CB 3.46Å; I261-L264 PolarHBondContact O-N 3.49Å; P262-L264 PolarHBondContact O-N 2.92Å; L264-M269 VanDerWaalsContact O-SD 3.39Å; L264-D297 PolarHBondContact N-O 2.82Å
265	I	98.6	Very high	97.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-94.4	117.3	179.7	-54.4	-59.1	0	0	0	109.8	L245 T249 I255 V257 R263 M269 V270 D297 V298 D299	L245-I265 HydrophobicContact CD2-CD1 4.41Å; T249-I265 HydrophobicContact CG2-CD1 4.26Å; I255-I265 HydrophobicContact CG2-CD1 4.4Å; I255-I265 HydrophobicContact CG2-CG1 4.42Å; I255-I265 HydrophobicContact CG2-CG2 4.48Å; V257-I265 HydrophobicContact CB-CG1 4Å; V257-I265 HydrophobicContact CG1-CG1 4.17Å; V257-I265 HydrophobicContact CG2-CG1 3.98Å; R263-I265 VanDerWaalsContact C-N 3.33Å; I265-M269 HydrophobicContact CD1-CE 3.89Å; I265-V270 HydrophobicContact CG2-CG2 3.65Å; I265-D297 PolarHBondContact N-O 3.03Å; I265-V298 HydrophobicContact CB-CG2 4.25Å; I265-D299 PolarHBondContact O-N 3.24Å
266	T	98.6	Very high	97.7	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.16	22%	0.218	C	C	.	.			trans	-114.5	162.7	-177.5	47.6	0	0	0	0	112	R242 D268 M269 D299	R242-T266 PolarHBondContact NH2-OG1 3.26Å; R242-T266 VanDerWaalsContact NH2-OG1 3.07Å; T266-D268 VanDerWaalsContact CB-OD1 3.27Å; T266-D268 WeakPolarHBondContact CB-OD1 3.45Å; T266-D268 PolarHBondContact O-N 2.93Å; T266-D268 VanDerWaalsContact O-N 3.12Å; T266-D268 PolarHBondContact OG1-OD1 3.29Å; T266-M269 VanDerWaalsContact O-CB 3.3Å; T266-M269 WeakPolarHBondContact O-CB 3.34Å; T266-M269 PolarHBondContact O-N 3.49Å; T266-M269 PolarHBondContact OG1-SD 2.78Å; T266-D299 HydrophobicContact CG2-CB 4.34Å
267	A	97.8	Very high	97.7	Very high	23 Å²	23	38.4 Å²	38.4	19%	0.19	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.3	-172.9	0	0	0	0	0	115.3	M269 A302 V303 K306	A267-M269 VanDerWaalsContact C-N 3.32Å; A267-A302 HydrophobicContact CB-CB 3.75Å; A267-V303 HydrophobicContact CB-CG2 4.37Å; A267-K306 HydrophobicContact CB-CD 4.08Å; A267-K306 WeakPolarHBondContact O-CD 3.27Å; A267-K306 PolarHBondContact O-NZ 3.18Å
268	D	97.9	Very high	97.7	Very high	72 Å²	72	38.6 Å²	38.6	39%	0.385	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.7	172.1	69.2	-57.2	0	0	0	113.2	K246 Q250 T266	K246-D268 VanDerWaalsContact CE-OD2 3.25Å; K246-D268 WeakPolarHBondContact CE-OD2 3.35Å; K246-D268 IonicContact NZ-OD2 3.39Å; K246-D268 PolarHBondContact NZ-OD2 2.88Å; Q250-D268 PolarHBondContact NE2-O 3.09Å; T266-D268 VanDerWaalsContact CB-OD1 3.27Å; T266-D268 WeakPolarHBondContact CB-OD1 3.45Å; T266-D268 PolarHBondContact O-N 2.93Å; T266-D268 VanDerWaalsContact O-N 3.12Å; T266-D268 PolarHBondContact OG1-OD1 3.29Å
269	M	98.5	Very high	97.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-18.6	178.4	-61.3	175.8	65.3	0	0	113.1	R242 L245 K246 T249 Q250 L264 I265 T266 A267	R242-M269 PolarHBondContact NH2-SD 3.33Å; L245-M269 HydrophobicContact CB-CE 4.39Å; L245-M269 HydrophobicContact CD2-CE 3.73Å; L245-M269 HydrophobicContact CG-CE 3.6Å; K246-M269 HydrophobicContact CB-CE 4.43Å; K246-M269 HydrophobicContact CB-CG 4.15Å; K246-M269 HydrophobicContact CD-CG 4.34Å; K246-M269 HydrophobicContact CG-CG 4.06Å; T249-M269 CarbonylContact C-O 3.42Å; T249-M269 VanDerWaalsContact CB-O 3.27Å; T249-M269 WeakPolarHBondContact CB-O 3.1Å; T249-M269 WeakPolarHBondContact OG1-CB 3.43Å; T249-M269 PolarHBondContact OG1-O 2.97Å; Q250-M269 PolarHBondContact N-O 3Å; L264-M269 VanDerWaalsContact O-SD 3.39Å; I265-M269 HydrophobicContact CD1-CE 3.89Å; T266-M269 VanDerWaalsContact O-CB 3.3Å; T266-M269 WeakPolarHBondContact O-CB 3.34Å; T266-M269 PolarHBondContact O-N 3.49Å; T266-M269 PolarHBondContact OG1-SD 2.78Å; A267-M269 VanDerWaalsContact C-N 3.32Å
270	V	98.3	Very high	97.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.201	C	C	.	.	S	Bend	trans	-100.6	125.1	-175.8	-176.8	0	0	0	0	109.8	I255 I265 A274 V276 V303 K306	I255-V270 HydrophobicContact CD1-CB 4.26Å; I255-V270 HydrophobicContact CD1-CG1 4.18Å; I255-V270 HydrophobicContact CD1-CG2 3.81Å; I265-V270 HydrophobicContact CG2-CG2 3.65Å; V270-A274 HydrophobicContact CG1-CB 4.03Å; V270-V276 HydrophobicContact CG1-CG2 3.88Å; V270-V276 HydrophobicContact CG2-CG2 4.39Å; V270-V303 HydrophobicContact CB-CG1 4.36Å; V270-V303 HydrophobicContact CG1-CG1 4.23Å; V270-V303 HydrophobicContact CG2-CG1 3.85Å; V270-V303 HydrophobicContact CG2-CG2 4.03Å; V270-K306 PolarHBondContact O-NZ 3.42Å
271	R	95.8	Very high	97.4	Very high	78 Å²	78	38.3 Å²	38.3	29%	0.294	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-74.1	157	172.4	61.9	173.9	-124.2	-146.6	-3.9	111.9	Q250 L251 A252 D253 G273 A274	Q250-R271 WeakPolarHBondContact O-CB 3.43Å; Q250-R271 WeakPolarHBondContact O-CD 3.31Å; L251-R271 PolarHBondContact O-NH1 3Å; A252-R271 WeakPolarHBondContact O-CD 3.2Å; A252-R271 VanDerWaalsContact O-CG 3.27Å; A252-R271 WeakPolarHBondContact O-CG 3.18Å; A252-R271 PolarHBondContact O-NE 2.7Å; D253-R271 VanDerWaalsContact CG-NH2 3.26Å; D253-R271 IonicContact OD1-CZ 2.69Å; D253-R271 IonicContact OD1-NH1 3.9Å; D253-R271 PolarHBondContact OD1-NH1 2.82Å; D253-R271 VanDerWaalsContact OD1-NH1 3.17Å; D253-R271 IonicContact OD1-NH2 3.84Å; D253-R271 PolarHBondContact OD1-NH2 3.03Å; D253-R271 IonicContact OD2-CZ 3.68Å; D253-R271 IonicContact OD2-NH1 2.7Å; D253-R271 PolarHBondContact OD2-NH1 3.39Å; D253-R271 IonicContact OD2-NH2 2.71Å; R271-G273 PolarHBondContact O-N 2.92Å; R271-A274 HydrophobicContact CG-CB 3.91Å; R271-A274 WeakPolarHBondContact O-CB 3.47Å; R271-A274 PolarHBondContact O-N 2.86Å
272	E	96.8	Very high	97.2	Very high	116 Å²	116	35.2 Å²	35.2	54%	0.542	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136	177.5	-157.6	68.6	-172	0	0	110.6	A274 K306	E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.83Å; E272-K306 WeakPolarHBondContact CA-O 3.47Å; E272-K306 WeakPolarHBondContact OE2-CB 3.12Å
273	G	96.1	Very high	96.9	Very high	40 Å²	40	38.2 Å²	38.2	41%	0.412	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	4.9	178.4	0	0	0	0	0	116	R271 K306 S308	R271-G273 PolarHBondContact O-N 2.92Å; G273-K306 PolarHBondContact N-O 3.36Å; G273-S308 VanDerWaalsContact O-CB 3.28Å; G273-S308 WeakPolarHBondContact O-CB 3.38Å; G273-S308 PolarHBondContact O-OG 3.33Å
274	A	98.2	Very high	96.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.			trans	-68.6	151.9	173.6	0	0	0	0	0	112.5	D253 V270 R271 E272 A307 S308	D253-A274 CarbonylContact O-C 3.55Å; D253-A274 VanDerWaalsContact O-CA 3.29Å; D253-A274 WeakPolarHBondContact O-CA 3.41Å; V270-A274 HydrophobicContact CG1-CB 4.03Å; R271-A274 HydrophobicContact CG-CB 3.91Å; R271-A274 WeakPolarHBondContact O-CB 3.47Å; R271-A274 PolarHBondContact O-N 2.86Å; E272-A274 VanDerWaalsContact C-N 3.28Å; E272-A274 PolarHBondContact O-N 2.83Å; A274-A307 CarbonylContact O-C 3.59Å; A274-A307 WeakPolarHBondContact O-CA 3.42Å; A274-A307 VanDerWaalsContact O-CB 3.27Å; A274-A307 WeakPolarHBondContact O-CB 3.26Å; A274-S308 PolarHBondContact O-N 2.79Å; A274-S308 PolarHBondContact O-OG 3.12Å
275	A	98.8	Very high	96.2	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.7	167.9	0	0	0	0	0	110.5	I194 D253 I254 I255 F309	I194-A275 HydrophobicContact CD1-CB 3.95Å; I194-A275 HydrophobicContact CG2-CB 4.16Å; D253-A275 PolarHBondContact O-N 3.03Å; I254-A275 CarbonylContact C-O 3.22Å; I254-A275 WeakPolarHBondContact CA-O 3.38Å; I254-A275 HydrophobicContact CG1-CB 4.49Å; I254-A275 HydrophobicContact CG2-CB 4.26Å; I255-A275 PolarHBondContact N-O 3.23Å; A275-F309 HydrophobicContact CB-CB 4.07Å; A275-F309 HydrophobicContact CB-CD2 4.32Å
276	V	98.8	Very high	95.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.6	-178	-175.4	0	0	0	0	111.1	I255 V270 V298 V303 A307 F309 I310 T311	I255-V276 HydrophobicContact CB-CG2 4.46Å; I255-V276 CarbonylContact O-C 3.39Å; I255-V276 WeakPolarHBondContact O-CA 3.43Å; V270-V276 HydrophobicContact CG1-CG2 3.88Å; V270-V276 HydrophobicContact CG2-CG2 4.39Å; V276-V298 HydrophobicContact CG1-CG1 4.16Å; V276-V298 HydrophobicContact CG1-CG2 3.75Å; V276-V303 HydrophobicContact CB-CG1 4.34Å; V276-V303 HydrophobicContact CG1-CG1 4.35Å; V276-V303 HydrophobicContact CG2-CG1 3.86Å; V276-A307 HydrophobicContact CG2-CB 4.02Å; V276-F309 PolarHBondContact N-O 2.94Å; V276-I310 HydrophobicContact CB-CG1 4.3Å; V276-I310 VanDerWaalsContact O-CA 3.31Å; V276-I310 WeakPolarHBondContact O-CA 3.37Å; V276-T311 PolarHBondContact O-N 3.1Å; V276-T311 VanDerWaalsContact O-N 3.07Å
277	I	98.9	Very high	94.7	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	110	-179.5	-59.7	175	0	0	0	108.9	V185 I188 I189 I255 I256 V257 V279 T311 V317	V185-I277 HydrophobicContact CG1-CD1 4.13Å; V185-I277 HydrophobicContact CG1-CG2 4.23Å; V185-I277 HydrophobicContact CG2-CG2 3.97Å; I188-I277 HydrophobicContact CG2-CD1 4.08Å; I189-I277 HydrophobicContact CD1-CD1 3.89Å; I189-I277 HydrophobicContact CG1-CD1 3.5Å; I255-I277 PolarHBondContact O-N 3.4Å; I256-I277 WeakPolarHBondContact CA-O 3.41Å; I256-I277 HydrophobicContact CG1-CB 4.14Å; I256-I277 HydrophobicContact CG1-CD1 4.4Å; I256-I277 HydrophobicContact CG2-CB 4.47Å; I256-I277 HydrophobicContact CG2-CG2 4.45Å; V257-I277 PolarHBondContact N-O 2.95Å; I277-V279 HydrophobicContact CG2-CG2 4.31Å; I277-T311 HydrophobicContact CB-CG2 4.45Å; I277-T311 HydrophobicContact CG1-CG2 4.26Å; I277-T311 HydrophobicContact CG2-CG2 4.18Å; I277-V317 HydrophobicContact CG2-CG2 3.69Å
278	D	98.7	Very high	94.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	107.6	179.7	-164.3	-13.9	0	0	0	109.9	V257 G280 G296 D297 V298 T311 V313 V317	V257-D278 HydrophobicContact CG1-CB 4.38Å; D278-G280 WeakPolarHBondContact OD1-CA 3.46Å; D278-G280 PolarHBondContact OD1-N 2.82Å; D278-G296 VanDerWaalsContact OD2-CA 3.25Å; D278-G296 WeakPolarHBondContact OD2-CA 3.47Å; D278-D297 VanDerWaalsContact CG-N 3.32Å; D278-D297 PolarHBondContact OD1-N 3.33Å; D278-D297 PolarHBondContact OD2-N 3.2Å; D278-V298 HydrophobicContact CB-CB 4.42Å; D278-V298 HydrophobicContact CB-CG2 3.74Å; D278-V298 WeakPolarHBondContact OD2-CB 3.35Å; D278-V298 WeakPolarHBondContact OD2-CG2 3.25Å; D278-V298 PolarHBondContact OD2-N 3.08Å; D278-T311 PolarHBondContact N-OG1 2.9Å; D278-V313 HydrophobicContact CB-CG2 3.89Å; D278-V317 WeakPolarHBondContact O-CG2 3.26Å
279	V	98.3	Very high	93.7	Very high	19 Å²	19	50.9 Å²	50.9	12%	0.115	28%	0.277	C	S	.	.			trans	-95.4	-6.2	175	-162.8	0	0	0	0	110.6	T181 V185 V210 I214 I256 V257 A258 I277 V317	T181-V279 HydrophobicContact CG2-CG1 3.36Å; V185-V279 HydrophobicContact CG2-CG2 3.82Å; V210-V279 HydrophobicContact CG1-CG1 3.79Å; I214-V279 HydrophobicContact CD1-CG2 4.37Å; I256-V279 HydrophobicContact CG2-CG2 3.82Å; V257-V279 WeakPolarHBondContact O-CA 3.41Å; V257-V279 WeakPolarHBondContact O-CB 3.15Å; V257-V279 WeakPolarHBondContact O-CG2 3.36Å; V257-V279 PolarHBondContact O-N 3.47Å; A258-V279 HydrophobicContact CB-CB 3.91Å; A258-V279 HydrophobicContact CB-CG1 4.34Å; A258-V279 HydrophobicContact CB-CG2 4.32Å; I277-V279 HydrophobicContact CG2-CG2 4.31Å; V279-V317 HydrophobicContact CG1-CG1 4.11Å; V279-V317 HydrophobicContact CG2-CG2 4.26Å
280	G	94.2	Very high	93.1	Very high	3 Å²	3	53.4 Å²	53.4	3%	0.031	30%	0.303	C	S	.	.			trans	-61.6	141.7	-177.3	0	0	0	0	0	112.8	D278	D278-G280 WeakPolarHBondContact OD1-CA 3.46Å; D278-G280 PolarHBondContact OD1-N 2.82Å
281	I	92.1	Very high	92.7	Very high	80 Å²	80	60.7 Å²	60.7	41%	0.41	34%	0.335	S	S	.	.			trans	-136	99.2	178.1	-63.7	179.6	0	0	0	107.3	Y89 Y283 L294	Y89-I281 WeakPolarHBondContact OH-CG2 3.38Å; I281-Y283 HydrophobicContact CG2-CE2 4.27Å; I281-L294 HydrophobicContact CB-CD1 4.25Å; I281-L294 HydrophobicContact CG2-CD1 3.63Å
282	N	92.8	Very high	92.3	Very high	19 Å²	19	61.5 Å²	61.5	10%	0.102	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	-178.2	-53.1	-75.4	0	0	0	110.4	G260 I261 P262 L294 V295 G296 D297	G260-N282 WeakPolarHBondContact CA-OD1 3.49Å; G260-N282 PolarHBondContact O-OD1 3.16Å; I261-N282 PolarHBondContact N-OD1 3.03Å; P262-N282 HydrophobicContact CG-CB 3.67Å; N282-L294 WeakPolarHBondContact O-CA 3.21Å; N282-V295 HydrophobicContact CB-CG2 3.99Å; N282-V295 WeakPolarHBondContact CB-O 3.13Å; N282-V295 PolarHBondContact N-O 2.9Å; N282-V295 PolarHBondContact ND2-O 3.23Å; N282-V295 PolarHBondContact O-N 3.03Å; N282-G296 PolarHBondContact ND2-O 2.89Å; N282-G296 VanDerWaalsContact ND2-O 3.15Å; N282-D297 PolarHBondContact ND2-OD1 2.9Å
283	Y	90.3	Very high	92	Very high	118 Å²	118	61.9 Å²	61.9	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.1	173.3	-67.9	-80.5	0	0	0	109.3	A85 I281 T292 L294	A85-Y283 HydrophobicContact CB-CE2 4.18Å; I281-Y283 HydrophobicContact CG2-CE2 4.27Å; Y283-T292 HydrophobicContact CD1-CG2 3.83Å; Y283-T292 HydrophobicContact CG-CG2 4.23Å; Y283-L294 HydrophobicContact CE1-CB 4.43Å
284	V	89.4	Confident	91.8	Very high	48 Å²	48	61.9 Å²	61.9	29%	0.291	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.6	178	-62.1	0	0	0	0	109.8	P262 T292 K293 V295	P262-V284 HydrophobicContact CG-CG1 4.13Å; V284-T292 CarbonylContact O-C 3.59Å; V284-T292 WeakPolarHBondContact O-CA 3.38Å; V284-K293 HydrophobicContact CG2-CB 4.27Å; V284-K293 PolarHBondContact N-O 3.01Å; V284-K293 PolarHBondContact O-N 2.79Å; V284-V295 HydrophobicContact CB-CG2 4.47Å; V284-V295 HydrophobicContact CG1-CG2 3.81Å; V284-V295 HydrophobicContact CG2-CB 4.48Å; V284-V295 HydrophobicContact CG2-CG1 3.84Å; V284-V295 HydrophobicContact CG2-CG2 3.78Å
285	Q	91.2	Very high	91.7	Very high	155 Å²	155	63.4 Å²	63.4	72%	0.724	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	131.3	167.5	-77.6	-176.9	-14.3	0	0	109.6	P287	Q285-P287 WeakPolarHBondContact O-CD 3.34Å
286	D	84	Confident	91.6	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	35%	0.35	C	S	.	.			trans	-69.9	116.8	166.5	178.6	-23.6	0	0	0	108.8	T288 T289 G290 K291	D286-T288 PolarHBondContact O-N 3.3Å; D286-T288 WeakPolarHBondContact OD1-CA 3.48Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 2.96Å; D286-T289 WeakPolarHBondContact CB-OG1 3.44Å; D286-T289 PolarHBondContact OD1-N 3.19Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.37Å; D286-T289 PolarHBondContact OD2-OG1 3.1Å; D286-G290 VanDerWaalsContact O-CA 3.27Å; D286-G290 WeakPolarHBondContact O-CA 3.43Å; D286-G290 PolarHBondContact O-N 2.81Å; D286-K291 VanDerWaalsContact CB-O 3.26Å; D286-K291 WeakPolarHBondContact CB-O 3.35Å; D286-K291 PolarHBondContact N-O 3.17Å
287	P	82.4	Confident	91.6	Very high	132 Å²	132	63.6 Å²	63.6	86%	0.857	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.9	-176.8	30.5	-36.4	0	0	0	113.3	Q285	Q285-P287 WeakPolarHBondContact O-CD 3.34Å
288	T	85.6	Confident	91.6	Very high	130 Å²	130	64 Å²	64	80%	0.798	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-40.3	178.3	-54.8	0	0	0	0	111.8	D286	D286-T288 PolarHBondContact O-N 3.3Å; D286-T288 WeakPolarHBondContact OD1-CA 3.48Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 2.96Å
289	T	87.9	Confident	91.6	Very high	76 Å²	76	66.3 Å²	66.3	47%	0.466	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-10	-176.4	72.9	0	0	0	0	114.9	D286 K291	D286-T289 WeakPolarHBondContact CB-OG1 3.44Å; D286-T289 PolarHBondContact OD1-N 3.19Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.37Å; D286-T289 PolarHBondContact OD2-OG1 3.1Å; T289-K291 PolarHBondContact O-N 3.13Å; T289-K291 VanDerWaalsContact O-N 3.09Å; T289-K291 PolarHBondContact OG1-N 2.98Å
290	G	87.2	Confident	91.6	Very high	54 Å²	54	67.5 Å²	67.5	56%	0.557	37%	0.368	S	S	*	.			trans	68.1	-3.5	-173.7	0	0	0	0	0	114.6	D286	D286-G290 VanDerWaalsContact O-CA 3.27Å; D286-G290 WeakPolarHBondContact O-CA 3.43Å; D286-G290 PolarHBondContact O-N 2.81Å
291	K	89.2	Confident	91.7	Very high	154 Å²	154	72.2 Å²	72.2	67%	0.67	39%	0.39	S	S	*	.			trans	-80.3	142.5	-177.2	-64.8	-179.9	180	178	0	110.9	D286 T289 K293	D286-K291 VanDerWaalsContact CB-O 3.26Å; D286-K291 WeakPolarHBondContact CB-O 3.35Å; D286-K291 PolarHBondContact N-O 3.17Å; T289-K291 PolarHBondContact O-N 3.13Å; T289-K291 VanDerWaalsContact O-N 3.09Å; T289-K291 PolarHBondContact OG1-N 2.98Å; K291-K293 PolarHBondContact O-N 2.6Å
292	T	88.2	Confident	92	Very high	94 Å²	94	69.7 Å²	69.7	58%	0.577	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.5	170.6	-47.3	0	0	0	0	110.1	Y283 V284	Y283-T292 HydrophobicContact CD1-CG2 3.83Å; Y283-T292 HydrophobicContact CG-CG2 4.23Å; V284-T292 CarbonylContact O-C 3.59Å; V284-T292 WeakPolarHBondContact O-CA 3.38Å
293	K	89.9	Confident	92.2	Very high	124 Å²	124	68.8 Å²	68.8	54%	0.539	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.8	175.1	-175.8	179.4	178.1	-179.2	0	109.9	V284 K291 V295	V284-K293 HydrophobicContact CG2-CB 4.27Å; V284-K293 PolarHBondContact N-O 3.01Å; V284-K293 PolarHBondContact O-N 2.79Å; K291-K293 PolarHBondContact O-N 2.6Å; K293-V295 HydrophobicContact CD-CG1 3.99Å; K293-V295 HydrophobicContact CG-CG1 4Å
294	L	91.7	Very high	92.6	Very high	40 Å²	40	64.8 Å²	64.8	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.5	168	174.1	54.3	0	0	0	109.5	I281 N282 Y283 V313 P314	I281-L294 HydrophobicContact CB-CD1 4.25Å; I281-L294 HydrophobicContact CG2-CD1 3.63Å; N282-L294 WeakPolarHBondContact O-CA 3.21Å; Y283-L294 HydrophobicContact CE1-CB 4.43Å; L294-V313 HydrophobicContact CD1-CG1 4.22Å; L294-V313 HydrophobicContact CG-CG1 4.07Å; L294-P314 HydrophobicContact CD2-CB 4.1Å
295	V	95.9	Very high	92.9	Very high	33 Å²	33	68.2 Å²	68.2	20%	0.2	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156.3	175.9	-58.3	0	0	0	0	110.5	P262 N282 V284 K293	P262-V295 HydrophobicContact CB-CG2 4.34Å; N282-V295 HydrophobicContact CB-CG2 3.99Å; N282-V295 WeakPolarHBondContact CB-O 3.13Å; N282-V295 PolarHBondContact N-O 2.9Å; N282-V295 PolarHBondContact ND2-O 3.23Å; N282-V295 PolarHBondContact O-N 3.03Å; V284-V295 HydrophobicContact CB-CG2 4.47Å; V284-V295 HydrophobicContact CG1-CG2 3.81Å; V284-V295 HydrophobicContact CG2-CB 4.48Å; V284-V295 HydrophobicContact CG2-CG1 3.84Å; V284-V295 HydrophobicContact CG2-CG2 3.78Å; K293-V295 HydrophobicContact CD-CG1 3.99Å; K293-V295 HydrophobicContact CG-CG1 4Å
296	G	97.7	Very high	93.2	Very high	7 Å²	7	63.5 Å²	63.5	7%	0.072	35%	0.349	C	S	.	.			trans	-90.3	-166.4	177.4	0	0	0	0	0	113.4	D278 N282	D278-G296 VanDerWaalsContact OD2-CA 3.25Å; D278-G296 WeakPolarHBondContact OD2-CA 3.47Å; N282-G296 PolarHBondContact ND2-O 2.89Å; N282-G296 VanDerWaalsContact ND2-O 3.15Å
297	D	98.5	Very high	93.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.338	C	S	.	.	S	Bend	trans	-90.1	-7.2	178.8	-65.2	-16.2	0	0	0	112.8	V257 A259 G260 I261 R263 L264 I265 D278 N282	V257-D297 HydrophobicContact CB-CB 4.24Å; V257-D297 HydrophobicContact CG1-CB 3.8Å; V257-D297 HydrophobicContact CG2-CB 3.43Å; V257-D297 VanDerWaalsContact CG2-CB 3.43Å; A259-D297 WeakPolarHBondContact CA-OD2 3.32Å; A259-D297 PolarHBondContact N-OD2 3.46Å; G260-D297 WeakPolarHBondContact CA-OD1 3.4Å; G260-D297 PolarHBondContact N-OD1 3.16Å; G260-D297 PolarHBondContact N-OD2 3.09Å; I261-D297 PolarHBondContact N-OD1 3.41Å; I261-D297 WeakPolarHBondContact O-CA 3.16Å; I261-D297 WeakPolarHBondContact O-CB 3.42Å; R263-D297 CarbonylContact C-O 3.59Å; R263-D297 WeakPolarHBondContact CA-O 3.16Å; R263-D297 PolarHBondContact N-O 3.33Å; L264-D297 PolarHBondContact N-O 2.82Å; I265-D297 PolarHBondContact N-O 3.03Å; D278-D297 VanDerWaalsContact CG-N 3.32Å; D278-D297 PolarHBondContact OD1-N 3.33Å; D278-D297 PolarHBondContact OD2-N 3.2Å; N282-D297 PolarHBondContact ND2-OD1 2.9Å
298	V	98.6	Very high	94.5	Very high	10 Å²	10	57.1 Å²	57.1	6%	0.061	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-99.4	142.2	-179	-175	0	0	0	0	111.8	V257 I265 V276 D278 F300 V303 I310	V257-V298 HydrophobicContact CG1-CG2 3.51Å; I265-V298 HydrophobicContact CB-CG2 4.25Å; V276-V298 HydrophobicContact CG1-CG1 4.16Å; V276-V298 HydrophobicContact CG1-CG2 3.75Å; D278-V298 HydrophobicContact CB-CB 4.42Å; D278-V298 HydrophobicContact CB-CG2 3.74Å; D278-V298 WeakPolarHBondContact OD2-CB 3.35Å; D278-V298 WeakPolarHBondContact OD2-CG2 3.25Å; D278-V298 PolarHBondContact OD2-N 3.08Å; V298-F300 PolarHBondContact O-N 2.84Å; V298-V303 HydrophobicContact CG1-CB 3.75Å; V298-V303 HydrophobicContact CG1-CG1 3.94Å; V298-V303 HydrophobicContact CG1-CG2 3.69Å; V298-I310 HydrophobicContact CG1-CD1 4.38Å
299	D	98.1	Very high	95.2	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	28%	0.283	S	S	.	.			trans	-73.1	74.6	162.3	-174.6	13.4	0	0	0	110.9	R263 I265 T266 E301 A302 V303	R263-D299 HydrophobicContact CB-CB 4.32Å; R263-D299 HydrophobicContact CG-CB 4.27Å; I265-D299 PolarHBondContact O-N 3.24Å; T266-D299 HydrophobicContact CG2-CB 4.34Å; D299-E301 VanDerWaalsContact C-N 3.32Å; D299-E301 PolarHBondContact O-N 2.74Å; D299-A302 HydrophobicContact CB-CB 4.49Å; D299-A302 PolarHBondContact O-N 3.43Å; D299-A302 VanDerWaalsContact O-N 3.12Å; D299-A302 VanDerWaalsContact OD2-CB 3.28Å; D299-A302 WeakPolarHBondContact OD2-CB 3.5Å; D299-V303 WeakPolarHBondContact O-CB 3.32Å; D299-V303 WeakPolarHBondContact O-CG2 3.45Å; D299-V303 PolarHBondContact O-N 2.98Å
300	F	97.9	Very high	95.7	Very high	45 Å²	45	49.5 Å²	49.5	20%	0.197	26%	0.26	C	S	.	.	H	α-helix	trans	-51.3	-44.6	-168.9	-176.6	-90.7	0	0	0	113.7	I44 V298 A302 V303 K304 I310 P312	I44-F300 HydrophobicContact CD1-CE1 4.48Å; I44-F300 HydrophobicContact CD1-CZ 4.04Å; I44-F300 HydrophobicContact CG1-CZ 4.16Å; I44-F300 HydrophobicContact CG2-CZ 4.24Å; V298-F300 PolarHBondContact O-N 2.84Å; F300-A302 VanDerWaalsContact C-N 3.31Å; F300-A302 PolarHBondContact O-N 3.12Å; F300-V303 PolarHBondContact O-N 3.47Å; F300-K304 HydrophobicContact CD1-CD 4.18Å; F300-K304 HydrophobicContact CE1-CD 3.87Å; F300-K304 VanDerWaalsContact O-CB 3.27Å; F300-K304 WeakPolarHBondContact O-CB 3.38Å; F300-K304 WeakPolarHBondContact O-CG 3.48Å; F300-K304 PolarHBondContact O-N 3.31Å; F300-I310 HydrophobicContact CD2-CD1 3.44Å; F300-I310 VanDerWaalsContact CD2-CD1 3.44Å; F300-I310 HydrophobicContact CD2-CG1 3.83Å; F300-I310 HydrophobicContact CE2-CB 4.34Å; F300-I310 HydrophobicContact CE2-CD1 3.76Å; F300-I310 HydrophobicContact CE2-CG1 3.77Å; F300-I310 HydrophobicContact CE2-CG2 3.72Å; F300-I310 HydrophobicContact CG-CD1 4.14Å; F300-I310 HydrophobicContact CZ-CG2 4.06Å; F300-P312 HydrophobicContact CE2-CB 3.87Å; F300-P312 HydrophobicContact CZ-CB 4.1Å
301	E	97.3	Very high	96.2	Very high	102 Å²	102	46.9 Å²	46.9	48%	0.477	23%	0.234	S	C	.	.	H	α-helix	trans	-70.1	-25.4	-176	-75	-60.4	117.7	0	0	114	D299 K304 K305	D299-E301 VanDerWaalsContact C-N 3.32Å; D299-E301 PolarHBondContact O-N 2.74Å; E301-K304 WeakPolarHBondContact OE1-CE 3.44Å; E301-K304 IonicContact OE1-NZ 2.63Å; E301-K304 PolarHBondContact OE1-NZ 2.78Å; E301-K304 VanDerWaalsContact OE2-CE 3.25Å; E301-K304 WeakPolarHBondContact OE2-CE 3.44Å; E301-K304 IonicContact OE2-NZ 3.23Å; E301-K304 PolarHBondContact OE2-NZ 2.81Å; E301-K305 WeakPolarHBondContact O-CE 3.48Å; E301-K305 PolarHBondContact O-NZ 2.78Å
302	A	97.4	Very high	96.7	Very high	27 Å²	27	40.9 Å²	40.9	22%	0.223	21%	0.21	C	C	.	.	H	α-helix	trans	-88.5	-43.7	173.7	0	0	0	0	0	111.2	A267 D299 F300 K305	A267-A302 HydrophobicContact CB-CB 3.75Å; D299-A302 HydrophobicContact CB-CB 4.49Å; D299-A302 PolarHBondContact O-N 3.43Å; D299-A302 VanDerWaalsContact O-N 3.12Å; D299-A302 VanDerWaalsContact OD2-CB 3.28Å; D299-A302 WeakPolarHBondContact OD2-CB 3.5Å; F300-A302 VanDerWaalsContact C-N 3.31Å; F300-A302 PolarHBondContact O-N 3.12Å; A302-K305 PolarHBondContact O-N 2.95Å
303	V	98.2	Very high	97.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-71	-33.6	-175.1	173.5	0	0	0	0	112.7	A267 V270 V276 V298 D299 F300 K305 K306 A307 I310	A267-V303 HydrophobicContact CB-CG2 4.37Å; V270-V303 HydrophobicContact CB-CG1 4.36Å; V270-V303 HydrophobicContact CG1-CG1 4.23Å; V270-V303 HydrophobicContact CG2-CG1 3.85Å; V270-V303 HydrophobicContact CG2-CG2 4.03Å; V276-V303 HydrophobicContact CB-CG1 4.34Å; V276-V303 HydrophobicContact CG1-CG1 4.35Å; V276-V303 HydrophobicContact CG2-CG1 3.86Å; V298-V303 HydrophobicContact CG1-CB 3.75Å; V298-V303 HydrophobicContact CG1-CG1 3.94Å; V298-V303 HydrophobicContact CG1-CG2 3.69Å; D299-V303 WeakPolarHBondContact O-CB 3.32Å; D299-V303 WeakPolarHBondContact O-CG2 3.45Å; D299-V303 PolarHBondContact O-N 2.98Å; F300-V303 PolarHBondContact O-N 3.47Å; V303-K305 PolarHBondContact O-N 2.87Å; V303-K306 PolarHBondContact O-N 3.08Å; V303-K306 VanDerWaalsContact O-N 3.08Å; V303-A307 HydrophobicContact CG1-CB 4.27Å; V303-A307 PolarHBondContact O-N 2.76Å; V303-I310 HydrophobicContact CB-CD1 4.2Å; V303-I310 HydrophobicContact CG1-CD1 3.98Å
304	K	97.6	Very high	97.4	Very high	33 Å²	33	36.3 Å²	36.3	14%	0.143	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.9	175.9	77.3	-178.5	-173.5	-174.2	0	114.5	E41 A42 F300 E301 I310	E41-K304 WeakPolarHBondContact CA-O 3.08Å; A42-K304 HydrophobicContact CB-CB 4.23Å; A42-K304 WeakPolarHBondContact CB-O 3.42Å; A42-K304 PolarHBondContact N-O 2.69Å; F300-K304 HydrophobicContact CD1-CD 4.18Å; F300-K304 HydrophobicContact CE1-CD 3.87Å; F300-K304 VanDerWaalsContact O-CB 3.27Å; F300-K304 WeakPolarHBondContact O-CB 3.38Å; F300-K304 WeakPolarHBondContact O-CG 3.48Å; F300-K304 PolarHBondContact O-N 3.31Å; E301-K304 WeakPolarHBondContact OE1-CE 3.44Å; E301-K304 IonicContact OE1-NZ 2.63Å; E301-K304 PolarHBondContact OE1-NZ 2.78Å; E301-K304 VanDerWaalsContact OE2-CE 3.25Å; E301-K304 WeakPolarHBondContact OE2-CE 3.44Å; E301-K304 IonicContact OE2-NZ 3.23Å; E301-K304 PolarHBondContact OE2-NZ 2.81Å; K304-I310 HydrophobicContact CB-CD1 4.24Å; K304-I310 HydrophobicContact CB-CG2 4.09Å
305	K	97	Very high	97.6	Very high	120 Å²	120	35.2 Å²	35.2	52%	0.522	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	4.2	178.9	-60.5	171.8	-178	159.9	0	113.5	E301 A302 V303	E301-K305 WeakPolarHBondContact O-CE 3.48Å; E301-K305 PolarHBondContact O-NZ 2.78Å; A302-K305 PolarHBondContact O-N 2.95Å; V303-K305 PolarHBondContact O-N 2.87Å
306	K	96	Very high	97.7	Very high	57 Å²	57	33.7 Å²	33.7	25%	0.248	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.4	-35.8	-178.3	-57.5	-172.4	77.5	-160.8	0	113.1	A267 V270 E272 G273 V303	A267-K306 HydrophobicContact CB-CD 4.08Å; A267-K306 WeakPolarHBondContact O-CD 3.27Å; A267-K306 PolarHBondContact O-NZ 3.18Å; V270-K306 PolarHBondContact O-NZ 3.42Å; E272-K306 WeakPolarHBondContact CA-O 3.47Å; E272-K306 WeakPolarHBondContact OE2-CB 3.12Å; G273-K306 PolarHBondContact N-O 3.36Å; V303-K306 PolarHBondContact O-N 3.08Å; V303-K306 VanDerWaalsContact O-N 3.08Å
307	A	97.9	Very high	97.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	18%	0.182	C	C	.	.			trans	-66	149.8	177.2	0	0	0	0	0	111.3	A42 A274 V276 V303	A42-A307 VanDerWaalsContact CA-O 3.26Å; A42-A307 WeakPolarHBondContact CA-O 3.34Å; A42-A307 HydrophobicContact CB-CB 4.04Å; A42-A307 WeakPolarHBondContact CB-O 3.41Å; A274-A307 CarbonylContact O-C 3.59Å; A274-A307 WeakPolarHBondContact O-CA 3.42Å; A274-A307 VanDerWaalsContact O-CB 3.27Å; A274-A307 WeakPolarHBondContact O-CB 3.26Å; V276-A307 HydrophobicContact CG2-CB 4.02Å; V303-A307 HydrophobicContact CG1-CB 4.27Å; V303-A307 PolarHBondContact O-N 2.76Å
308	S	97.8	Very high	97.6	Very high	42 Å²	42	35.2 Å²	35.2	29%	0.294	20%	0.198	S	C	.	.	S	Bend	trans	-78.8	-35.3	167.2	53.4	0	0	0	0	111.4	I43 G273 A274	I43-S308 PolarHBondContact N-O 3.33Å; G273-S308 VanDerWaalsContact O-CB 3.28Å; G273-S308 WeakPolarHBondContact O-CB 3.38Å; G273-S308 PolarHBondContact O-OG 3.33Å; A274-S308 PolarHBondContact O-N 2.79Å; A274-S308 PolarHBondContact O-OG 3.12Å
309	F	98.6	Very high	97.5	Very high	45 Å²	45	36.7 Å²	36.7	20%	0.197	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	141.6	179.6	-63.5	-82.2	0	0	0	110.7	I43 I45 T192 I194 A275 V276	I43-F309 HydrophobicContact CB-CD1 3.69Å; I43-F309 HydrophobicContact CB-CE1 3.95Å; I43-F309 HydrophobicContact CD1-CD1 4.24Å; I43-F309 HydrophobicContact CD1-CE1 3.63Å; I43-F309 HydrophobicContact CD1-CZ 4.16Å; I43-F309 HydrophobicContact CG1-CD1 4.5Å; I43-F309 HydrophobicContact CG1-CE1 4.35Å; I43-F309 HydrophobicContact CG2-CD1 3.96Å; I43-F309 HydrophobicContact CG2-CE1 4.08Å; I43-F309 WeakPolarHBondContact O-CA 3.37Å; I45-F309 HydrophobicContact CD1-CB 4.03Å; I45-F309 HydrophobicContact CD1-CD1 4.41Å; I45-F309 HydrophobicContact CG1-CB 4.41Å; I45-F309 HydrophobicContact CG1-CD1 4.35Å; T192-F309 HydrophobicContact CG2-CD1 3.41Å; T192-F309 VanDerWaalsContact CG2-CD1 3.41Å; T192-F309 HydrophobicContact CG2-CE1 3.29Å; T192-F309 HydrophobicContact CG2-CG 4.18Å; T192-F309 HydrophobicContact CG2-CZ 3.99Å; I194-F309 HydrophobicContact CD1-CB 4.21Å; I194-F309 HydrophobicContact CD1-CD2 4.1Å; I194-F309 HydrophobicContact CD1-CG 4.07Å; I194-F309 HydrophobicContact CG1-CD2 3.89Å; I194-F309 HydrophobicContact CG1-CE2 4.02Å; I194-F309 HydrophobicContact CG1-CG 4.28Å; A275-F309 HydrophobicContact CB-CB 4.07Å; A275-F309 HydrophobicContact CB-CD2 4.32Å; V276-F309 PolarHBondContact N-O 2.94Å
310	I	98.8	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	135.1	174.5	-165.9	169.6	0	0	0	112	A42 I43 I44 I45 V276 V298 F300 V303 K304	A42-I310 HydrophobicContact CB-CB 4.12Å; A42-I310 HydrophobicContact CB-CG2 3.63Å; I43-I310 PolarHBondContact O-N 3.02Å; I44-I310 CarbonylContact C-O 3.4Å; I44-I310 WeakPolarHBondContact CA-O 3.42Å; I44-I310 HydrophobicContact CG1-CG2 4.15Å; I45-I310 PolarHBondContact N-O 2.86Å; V276-I310 HydrophobicContact CB-CG1 4.3Å; V276-I310 VanDerWaalsContact O-CA 3.31Å; V276-I310 WeakPolarHBondContact O-CA 3.37Å; V298-I310 HydrophobicContact CG1-CD1 4.38Å; F300-I310 HydrophobicContact CD2-CD1 3.44Å; F300-I310 VanDerWaalsContact CD2-CD1 3.44Å; F300-I310 HydrophobicContact CD2-CG1 3.83Å; F300-I310 HydrophobicContact CE2-CB 4.34Å; F300-I310 HydrophobicContact CE2-CD1 3.76Å; F300-I310 HydrophobicContact CE2-CG1 3.77Å; F300-I310 HydrophobicContact CE2-CG2 3.72Å; F300-I310 HydrophobicContact CG-CD1 4.14Å; F300-I310 HydrophobicContact CZ-CG2 4.06Å; V303-I310 HydrophobicContact CB-CD1 4.2Å; V303-I310 HydrophobicContact CG1-CD1 3.98Å; K304-I310 HydrophobicContact CB-CD1 4.24Å; K304-I310 HydrophobicContact CB-CG2 4.09Å
311	T	98.8	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.			trans	-88.4	134.3	169.6	60.1	0	0	0	0	110.9	I45 I188 V276 I277 D278	I45-T311 HydrophobicContact CB-CG2 4.02Å; I45-T311 HydrophobicContact CD1-CG2 4.22Å; I45-T311 HydrophobicContact CG2-CG2 4.33Å; I188-T311 HydrophobicContact CD1-CG2 4.34Å; I188-T311 HydrophobicContact CG2-CG2 4.34Å; V276-T311 PolarHBondContact O-N 3.1Å; V276-T311 VanDerWaalsContact O-N 3.07Å; I277-T311 HydrophobicContact CB-CG2 4.45Å; I277-T311 HydrophobicContact CG1-CG2 4.26Å; I277-T311 HydrophobicContact CG2-CG2 4.18Å; D278-T311 PolarHBondContact N-OG1 2.9Å
312	P	98.1	Very high	97.5	Very high	27 Å²	27	29.5 Å²	29.5	18%	0.175	18%	0.176	C	C	.	.			trans	-81.2	153.7	175.1	34	-33.3	0	0	0	111.9	I44 I45 F300 P314 G316	I44-P312 HydrophobicContact CG2-CB 4.27Å; I44-P312 HydrophobicContact CG2-CG 3.89Å; I45-P312 WeakPolarHBondContact O-CD 3.45Å; F300-P312 HydrophobicContact CE2-CB 3.87Å; F300-P312 HydrophobicContact CZ-CB 4.1Å; P312-P314 CarbonylContact C-O 3.6Å; P312-P314 CarbonylContact O-C 3.57Å; P312-G316 VanDerWaalsContact O-CA 3.24Å; P312-G316 WeakPolarHBondContact O-CA 3.33Å; P312-G316 PolarHBondContact O-N 2.73Å
313	V	97.6	Very high	97.6	Very high	34 Å²	34	28.2 Å²	28.2	21%	0.206	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	120	166.3	179.6	0	0	0	0	108.9	D278 L294	D278-V313 HydrophobicContact CB-CG2 3.89Å; L294-V313 HydrophobicContact CD1-CG1 4.22Å; L294-V313 HydrophobicContact CG-CG1 4.07Å
314	P	95.6	Very high	97.6	Very high	89 Å²	89	28.3 Å²	28.3	58%	0.578	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	cis	-70.5	170.4	-5.6	31.7	-36.8	0	0	0	113.6	L294 P312	L294-P314 HydrophobicContact CD2-CB 4.1Å; P312-P314 CarbonylContact C-O 3.6Å; P312-P314 CarbonylContact O-C 3.57Å
315	G	96.4	Very high	97.6	Very high	16 Å²	16	26.8 Å²	26.8	17%	0.165	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.4	-9	167.6	0	0	0	0	0	116.3	G47 T48	G47-G315 CarbonylContact C-O 3.57Å; G47-G315 WeakPolarHBondContact CA-O 3.48Å; G47-G315 PolarHBondContact N-O 3.13Å; G47-G315 VanDerWaalsContact N-O 3.14Å; T48-G315 PolarHBondContact N-O 2.95Å; T48-G315 WeakPolarHBondContact OG1-CA 3.28Å; T48-G315 PolarHBondContact OG1-O 2.62Å; T48-G315 VanDerWaalsContact OG1-O 3.07Å
316	G	98.1	Very high	97.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	-88.3	-109.8	172.2	0	0	0	0	0	113	G47 P312 G318 P319	G47-G316 WeakPolarHBondContact CA-O 3.48Å; P312-G316 VanDerWaalsContact O-CA 3.24Å; P312-G316 WeakPolarHBondContact O-CA 3.33Å; P312-G316 PolarHBondContact O-N 2.73Å; G316-G318 PolarHBondContact O-N 3.1Å; G316-P319 WeakPolarHBondContact O-CD 3.18Å
317	V	98.3	Very high	97.8	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.036	14%	0.136	C	C	.	.	H	α-helix	trans	-65.9	-36.1	-169.5	-173.3	0	0	0	0	113.5	T181 A184 V185 I188 I277 D278 V279 M320 T321	T181-V317 HydrophobicContact CG2-CG1 4.05Å; A184-V317 HydrophobicContact CB-CG1 4.23Å; V185-V317 HydrophobicContact CG2-CG1 3.97Å; V185-V317 HydrophobicContact CG2-CG2 4.31Å; I188-V317 HydrophobicContact CD1-CB 4.49Å; I188-V317 HydrophobicContact CD1-CG2 3.92Å; I277-V317 HydrophobicContact CG2-CG2 3.69Å; D278-V317 WeakPolarHBondContact O-CG2 3.26Å; V279-V317 HydrophobicContact CG1-CG1 4.11Å; V279-V317 HydrophobicContact CG2-CG2 4.26Å; V317-M320 WeakPolarHBondContact O-CA 3.44Å; V317-M320 WeakPolarHBondContact O-CB 3.47Å; V317-M320 PolarHBondContact O-N 3.11Å; V317-T321 PolarHBondContact O-N 3.02Å; V317-T321 PolarHBondContact O-OG1 3.43Å
318	G	95.8	Very high	97.9	Very high	33 Å²	33	21.5 Å²	21.5	34%	0.34	14%	0.137	S	C	.	.	H	α-helix	trans	-53.9	-53.1	-175.8	0	0	0	0	0	115.7	G316 M320 T321 V322	G316-G318 PolarHBondContact O-N 3.1Å; G318-M320 VanDerWaalsContact C-N 3.26Å; G318-M320 PolarHBondContact O-N 2.66Å; G318-T321 WeakPolarHBondContact O-CB 3.24Å; G318-T321 PolarHBondContact O-N 3.46Å; G318-V322 PolarHBondContact O-N 3.04Å
319	P	96.8	Very high	97.9	Very high	41 Å²	41	19.5 Å²	19.5	27%	0.266	12%	0.123	S	C	.	.	H	α-helix	trans	-56.6	-36.5	172.5	-28.3	34.7	0	0	0	114.1	A51 G316 V322 A323	A51-P319 HydrophobicContact CB-CB 3.95Å; A51-P319 WeakPolarHBondContact CB-O 3.26Å; G316-P319 WeakPolarHBondContact O-CD 3.18Å; P319-V322 PolarHBondContact O-N 3.09Å; P319-A323 PolarHBondContact O-N 2.93Å
320	M	98.2	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.2	-41.4	177.9	-71.2	-72.9	-63.3	0	0	111.8	M50 A51 I54 A184 E187 I188 V317 G318 V322 A323 M324	M50-M320 HydrophobicContact CB-SD 3.62Å; M50-M320 HydrophobicContact CG-CE 3.85Å; M50-M320 HydrophobicContact CG-SD 3.59Å; M50-M320 VanDerWaalsContact CG-SD 3.59Å; M50-M320 HydrophobicContact SD-CE 3.49Å; M50-M320 WeakPolarHBondContact SD-CE 3.16Å; M50-M320 HydrophobicContact SD-SD 3.82Å; A51-M320 HydrophobicContact CB-CG 4.48Å; A51-M320 HydrophobicContact CB-SD 4.03Å; A51-M320 PolarHBondContact N-SD 2.82Å; A51-M320 VanDerWaalsContact N-SD 3.39Å; I54-M320 HydrophobicContact CD1-CE 3.32Å; I54-M320 HydrophobicContact CD1-SD 3.73Å; A184-M320 HydrophobicContact CB-CB 3.57Å; E187-M320 HydrophobicContact CB-CE 3.87Å; E187-M320 HydrophobicContact CG-CE 3.96Å; I188-M320 HydrophobicContact CD1-CB 4.48Å; I188-M320 HydrophobicContact CD1-CG 4.1Å; I188-M320 HydrophobicContact CG1-CE 4.18Å; I188-M320 HydrophobicContact CG1-CG 4.15Å; V317-M320 WeakPolarHBondContact O-CA 3.44Å; V317-M320 WeakPolarHBondContact O-CB 3.47Å; V317-M320 PolarHBondContact O-N 3.11Å; G318-M320 VanDerWaalsContact C-N 3.26Å; G318-M320 PolarHBondContact O-N 2.66Å; M320-V322 VanDerWaalsContact C-N 3.26Å; M320-V322 PolarHBondContact O-N 2.91Å; M320-A323 PolarHBondContact O-N 2.86Å; M320-M324 WeakPolarHBondContact O-CG 3.48Å; M320-M324 PolarHBondContact O-N 3.18Å
321	T	97.4	Very high	97.9	Very high	27 Å²	27	20.3 Å²	20.3	17%	0.166	13%	0.129	C	C	.	.	H	α-helix	trans	-53.2	-43.9	173.9	-62.5	0	0	0	0	111.5	A180 T181 V317 G318 M324 L325	A180-T321 HydrophobicContact CB-CG2 4.04Å; T181-T321 WeakPolarHBondContact CA-OG1 3.23Å; T181-T321 WeakPolarHBondContact OG1-CG2 3.29Å; T181-T321 PolarHBondContact OG1-OG1 3.25Å; V317-T321 PolarHBondContact O-N 3.02Å; V317-T321 PolarHBondContact O-OG1 3.43Å; G318-T321 WeakPolarHBondContact O-CB 3.24Å; G318-T321 PolarHBondContact O-N 3.46Å; T321-M324 PolarHBondContact O-N 3.05Å; T321-L325 PolarHBondContact O-N 2.86Å
322	V	97.8	Very high	97.8	Very high	21 Å²	21	21.1 Å²	21.1	13%	0.127	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-41.2	177.6	-179.1	0	0	0	0	111.5	K93 A96 G318 P319 M320 L326	K93-V322 HydrophobicContact CG-CG1 4.45Å; A96-V322 HydrophobicContact CB-CG1 3.68Å; G318-V322 PolarHBondContact O-N 3.04Å; P319-V322 PolarHBondContact O-N 3.09Å; M320-V322 VanDerWaalsContact C-N 3.26Å; M320-V322 PolarHBondContact O-N 2.91Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 3.05Å
323	A	98.4	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.1	-40.1	176.5	0	0	0	0	0	112.3	A51 I54 Q55 I58 P319 M320 L326 K327	A51-A323 HydrophobicContact CB-CB 4.04Å; I54-A323 HydrophobicContact CB-CB 4.21Å; I54-A323 HydrophobicContact CG2-CB 3.89Å; Q55-A323 HydrophobicContact CG-CB 4.31Å; I58-A323 VanDerWaalsContact CD1-O 3.25Å; I58-A323 WeakPolarHBondContact CD1-O 3.49Å; P319-A323 PolarHBondContact O-N 2.93Å; M320-A323 PolarHBondContact O-N 2.86Å; A323-L326 PolarHBondContact O-N 3.38Å; A323-K327 PolarHBondContact O-N 3.01Å
324	M	98.6	Very high	97.7	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-72.9	-32.7	-179.3	-61.6	-51.6	-77	0	0	113.1	I54 A180 S183 A184 E187 M320 T321 L326 K327 N328	I54-M324 HydrophobicContact CD1-SD 4.18Å; I54-M324 HydrophobicContact CG2-SD 4.34Å; A180-M324 HydrophobicContact CB-CB 4.41Å; A180-M324 WeakPolarHBondContact O-CB 3.44Å; S183-M324 WeakPolarHBondContact OG-CE 3.17Å; A184-M324 HydrophobicContact CB-CG 4.03Å; E187-M324 HydrophobicContact CB-CE 4.2Å; E187-M324 HydrophobicContact CB-SD 4.33Å; E187-M324 HydrophobicContact CG-CE 4.43Å; E187-M324 HydrophobicContact CG-SD 4.32Å; M320-M324 WeakPolarHBondContact O-CG 3.48Å; M320-M324 PolarHBondContact O-N 3.18Å; T321-M324 PolarHBondContact O-N 3.05Å; M324-L326 VanDerWaalsContact C-N 3.31Å; M324-L326 PolarHBondContact O-N 3.39Å; M324-K327 HydrophobicContact CE-CD 3.69Å; M324-K327 WeakPolarHBondContact O-CB 3.36Å; M324-K327 PolarHBondContact O-N 3.44Å; M324-K327 HydrophobicContact SD-CD 3.96Å; M324-N328 PolarHBondContact O-N 3.21Å
325	L	98.5	Very high	97.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-43.7	168.3	171.1	64.8	0	0	0	112	L75 K93 L135 V159 A180 T321 K327 N328 T329	L75-L325 HydrophobicContact CD2-CD2 4.35Å; L75-L325 HydrophobicContact CD2-CG 4.46Å; K93-L325 HydrophobicContact CB-CD2 4.47Å; K93-L325 HydrophobicContact CD-CD2 3.63Å; K93-L325 HydrophobicContact CG-CD2 3.84Å; L135-L325 HydrophobicContact CD1-CD1 3.54Å; L135-L325 HydrophobicContact CD1-CD2 3.58Å; L135-L325 HydrophobicContact CD1-CG 4.22Å; V159-L325 HydrophobicContact CB-CD1 3.97Å; V159-L325 HydrophobicContact CG2-CD1 3.58Å; A180-L325 HydrophobicContact CB-CB 4.12Å; T321-L325 PolarHBondContact O-N 2.86Å; L325-K327 VanDerWaalsContact C-N 3.33Å; L325-N328 PolarHBondContact O-N 2.89Å; L325-T329 PolarHBondContact O-N 3.33Å; L325-T329 PolarHBondContact O-OG1 2.98Å
326	L	98.6	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-71	-30.9	177.9	-61.3	176.6	0	0	0	112	I58 L75 A96 A97 V100 I102 V322 A323 M324 T329 L330	I58-L326 HydrophobicContact CD1-CB 3.99Å; L75-L326 HydrophobicContact CD2-CD2 4.08Å; A96-L326 VanDerWaalsContact C-CD1 3.48Å; A96-L326 HydrophobicContact CB-CD1 3.62Å; A97-L326 HydrophobicContact CB-CD2 3.69Å; V100-L326 HydrophobicContact CG2-CB 4.5Å; V100-L326 HydrophobicContact CG2-CD1 4.01Å; I102-L326 HydrophobicContact CD1-CB 4.14Å; I102-L326 HydrophobicContact CD1-CD2 4.21Å; V322-L326 WeakPolarHBondContact O-CG 3.49Å; V322-L326 PolarHBondContact O-N 3.05Å; A323-L326 PolarHBondContact O-N 3.38Å; M324-L326 VanDerWaalsContact C-N 3.31Å; M324-L326 PolarHBondContact O-N 3.39Å; L326-T329 PolarHBondContact O-N 3.06Å; L326-L330 PolarHBondContact O-N 3.05Å
327	K	98.6	Very high	95.9	Very high	60 Å²	60	27.4 Å²	27.4	26%	0.261	16%	0.163	S	C	.	.	H	α-helix	trans	-63.5	-48.3	170	-164.7	178.4	-177.4	175	0	110.7	I58 E187 A323 M324 L325 T329 L330 L331	I58-K327 HydrophobicContact CD1-CB 3.99Å; I58-K327 HydrophobicContact CG1-CB 4.34Å; E187-K327 IonicContact OE1-NZ 2.66Å; A323-K327 PolarHBondContact O-N 3.01Å; M324-K327 HydrophobicContact CE-CD 3.69Å; M324-K327 WeakPolarHBondContact O-CB 3.36Å; M324-K327 PolarHBondContact O-N 3.44Å; M324-K327 HydrophobicContact SD-CD 3.96Å; L325-K327 VanDerWaalsContact C-N 3.33Å; K327-T329 VanDerWaalsContact C-N 3.31Å; K327-T329 PolarHBondContact O-N 3.26Å; K327-L330 PolarHBondContact O-N 3.46Å; K327-L330 VanDerWaalsContact O-N 3.12Å; K327-L331 WeakPolarHBondContact O-CG 3.33Å; K327-L331 PolarHBondContact O-N 2.87Å
328	N	98.6	Very high	95.2	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-58	-42.6	174.5	-75.4	1.7	0	0	0	111.6	V159 L177 I178 M324 L325 L330 L331 A332	V159-N328 HydrophobicContact CB-CB 4.03Å; V159-N328 HydrophobicContact CG1-CB 4.35Å; V159-N328 WeakPolarHBondContact O-CB 3.5Å; V159-N328 PolarHBondContact O-ND2 3.05Å; L177-N328 HydrophobicContact CD2-CB 4.05Å; I178-N328 PolarHBondContact O-ND2 3Å; M324-N328 PolarHBondContact O-N 3.21Å; L325-N328 PolarHBondContact O-N 2.89Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 2.95Å; N328-L331 PolarHBondContact O-N 3.13Å; N328-L331 VanDerWaalsContact O-N 3.11Å; N328-A332 WeakPolarHBondContact O-CB 3.44Å; N328-A332 PolarHBondContact O-N 3.02Å
329	T	98.6	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-40.2	175.1	-52.1	0	0	0	0	112.4	P73 L75 I102 L325 L326 K327 A333	P73-T329 HydrophobicContact CB-CG2 4.39Å; L75-T329 HydrophobicContact CB-CG2 3.99Å; I102-T329 HydrophobicContact CD1-CG2 4.26Å; I102-T329 HydrophobicContact CG2-CG2 4Å; L325-T329 PolarHBondContact O-N 3.33Å; L325-T329 PolarHBondContact O-OG1 2.98Å; L326-T329 PolarHBondContact O-N 3.06Å; K327-T329 VanDerWaalsContact C-N 3.31Å; K327-T329 PolarHBondContact O-N 3.26Å; T329-A333 VanDerWaalsContact O-CB 3.31Å; T329-A333 WeakPolarHBondContact O-CB 3.18Å; T329-A333 PolarHBondContact O-N 3Å
330	L	98.4	Very high	95.1	Very high	15 Å²	15	32.1 Å²	32.1	8%	0.079	17%	0.17	C	C	.	.	H	α-helix	trans	-71.5	-31.5	175.4	-177	61.8	0	0	0	112.8	I58 V62 P73 L326 K327 N328 K334	I58-L330 HydrophobicContact CG2-CD2 4.16Å; V62-L330 HydrophobicContact CG2-CD1 3.82Å; V62-L330 HydrophobicContact CG2-CD2 4.34Å; P73-L330 HydrophobicContact CG-CD1 3.94Å; L326-L330 PolarHBondContact O-N 3.05Å; K327-L330 PolarHBondContact O-N 3.46Å; K327-L330 VanDerWaalsContact O-N 3.12Å; N328-L330 VanDerWaalsContact C-N 3.31Å; N328-L330 PolarHBondContact O-N 2.95Å; L330-K334 HydrophobicContact CD1-CD 4.36Å; L330-K334 HydrophobicContact CG-CD 4.39Å; L330-K334 WeakPolarHBondContact O-CB 3.16Å; L330-K334 WeakPolarHBondContact O-CG 3.5Å; L330-K334 PolarHBondContact O-N 2.63Å
331	L	98	Very high	94.9	Very high	48 Å²	48	33.9 Å²	33.9	25%	0.251	18%	0.179	S	C	.	.	H	α-helix	trans	-70.8	-44.9	175.4	-68.4	172.5	0	0	0	111.4	L177 K327 N328 K334 S335 I336 I337	L177-L331 HydrophobicContact CD2-CB 4.34Å; K327-L331 WeakPolarHBondContact O-CG 3.33Å; K327-L331 PolarHBondContact O-N 2.87Å; N328-L331 PolarHBondContact O-N 3.13Å; N328-L331 VanDerWaalsContact O-N 3.11Å; L331-K334 PolarHBondContact O-N 3.11Å; L331-S335 PolarHBondContact O-N 3.3Å; L331-I336 HydrophobicContact CD2-CB 4.46Å; L331-I336 HydrophobicContact CD2-CD1 3.92Å; L331-I336 HydrophobicContact CD2-CG2 4.33Å; L331-I337 HydrophobicContact CB-CD1 4.21Å; L331-I337 HydrophobicContact CD1-CD1 4.29Å
332	A	97.9	Very high	94.8	Very high	16 Å²	16	34.3 Å²	34.3	13%	0.132	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-47.6	175.3	0	0	0	0	0	111.6	S132 E156 V159 L177 N328 K334 S335	S132-A332 VanDerWaalsContact O-CB 3.23Å; S132-A332 WeakPolarHBondContact O-CB 3.47Å; E156-A332 VanDerWaalsContact O-CB 3.28Å; E156-A332 WeakPolarHBondContact O-CB 3.46Å; V159-A332 HydrophobicContact CG1-CB 4.08Å; L177-A332 HydrophobicContact CD1-CB 4.28Å; N328-A332 WeakPolarHBondContact O-CB 3.44Å; N328-A332 PolarHBondContact O-N 3.02Å; A332-K334 PolarHBondContact O-N 3.49Å; A332-S335 PolarHBondContact O-N 3.23Å; A332-S335 VanDerWaalsContact O-N 3.15Å
333	A	97.4	Very high	94.6	Very high	17 Å²	17	35.1 Å²	35.1	14%	0.14	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.2	176.3	0	0	0	0	0	114.8	W65 P73 T329	W65-A333 WeakPolarHBondContact CZ2-O 3.49Å; P73-A333 HydrophobicContact CB-CB 3.61Å; P73-A333 HydrophobicContact CG-CB 3.68Å; T329-A333 VanDerWaalsContact O-CB 3.31Å; T329-A333 WeakPolarHBondContact O-CB 3.18Å; T329-A333 PolarHBondContact O-N 3Å
334	K	95.8	Very high	94.3	Very high	59 Å²	59	37.5 Å²	37.5	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-4.7	-178.4	-73.4	-177.2	176.3	-175.3	0	114.2	W65 L330 L331 A332 I336	W65-K334 HydrophobicContact CD2-CG 3.83Å; W65-K334 HydrophobicContact CE3-CD 4.21Å; W65-K334 HydrophobicContact CE3-CG 3.65Å; W65-K334 HydrophobicContact CH2-CB 4.37Å; W65-K334 HydrophobicContact CH2-CG 4.12Å; W65-K334 HydrophobicContact CZ2-CG 4.3Å; W65-K334 HydrophobicContact CZ3-CB 4.31Å; W65-K334 HydrophobicContact CZ3-CG 3.8Å; L330-K334 HydrophobicContact CD1-CD 4.36Å; L330-K334 HydrophobicContact CG-CD 4.39Å; L330-K334 WeakPolarHBondContact O-CB 3.16Å; L330-K334 WeakPolarHBondContact O-CG 3.5Å; L330-K334 PolarHBondContact O-N 2.63Å; L331-K334 PolarHBondContact O-N 3.11Å; A332-K334 PolarHBondContact O-N 3.49Å; K334-I336 VanDerWaalsContact C-N 3.29Å; K334-I336 HydrophobicContact CB-CD1 3.61Å; K334-I336 HydrophobicContact CB-CG1 3.72Å; K334-I336 HydrophobicContact CD-CD1 3.66Å; K334-I336 HydrophobicContact CG-CD1 4.29Å; K334-I336 PolarHBondContact O-N 2.82Å
335	S	91.3	Very high	94	Very high	91 Å²	91	40 Å²	40	64%	0.636	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	49.9	-174.5	-63.3	0	0	0	0	112.3	L331 A332 Y338	L331-S335 PolarHBondContact O-N 3.3Å; A332-S335 PolarHBondContact O-N 3.23Å; A332-S335 VanDerWaalsContact O-N 3.15Å; S335-Y338 CarbonylContact C-O 3.55Å; S335-Y338 VanDerWaalsContact C-O 3.29Å; S335-Y338 VanDerWaalsContact CA-O 3.28Å; S335-Y338 WeakPolarHBondContact CA-O 3.46Å; S335-Y338 VanDerWaalsContact CB-O 3.23Å; S335-Y338 WeakPolarHBondContact CB-O 3.43Å
336	I	80.1	Confident	93.7	Very high	102 Å²	102	43 Å²	43	52%	0.523	22%	0.224	S	C	.	.	S	Bend	trans	-86.7	-25.9	-179.6	-74.3	169.3	0	0	0	112.1	L331 K334	L331-I336 HydrophobicContact CD2-CB 4.46Å; L331-I336 HydrophobicContact CD2-CD1 3.92Å; L331-I336 HydrophobicContact CD2-CG2 4.33Å; K334-I336 VanDerWaalsContact C-N 3.29Å; K334-I336 HydrophobicContact CB-CD1 3.61Å; K334-I336 HydrophobicContact CB-CG1 3.72Å; K334-I336 HydrophobicContact CD-CD1 3.66Å; K334-I336 HydrophobicContact CG-CD1 4.29Å; K334-I336 PolarHBondContact O-N 2.82Å
337	I	80	Confident	93.2	Very high	31 Å²	31	46.6 Å²	46.6	16%	0.159	24%	0.243	C	C	.	.			trans	-107.1	-28.7	-173.3	-65.1	163.7	0	0	0	111.6	H175 L177 L331	H175-I337 HydrophobicContact CB-CG2 4.34Å; H175-I337 WeakPolarHBondContact O-CG2 3.37Å; L177-I337 HydrophobicContact CD2-CD1 3.62Å; L177-I337 HydrophobicContact CG-CD1 4.1Å; L331-I337 HydrophobicContact CB-CD1 4.21Å; L331-I337 HydrophobicContact CD1-CD1 4.29Å
338	Y	84.3	Confident	92.8	Very high	114 Å²	114	45.4 Å²	45.4	45%	0.447	24%	0.242	S	C	.	.			trans	-130.9	0	-179.2	-66.2	-89.2	0	0	0	107.8	P155 E156 I165 N166 S335	P155-Y338 HydrophobicContact CB-CE1 3.83Å; P155-Y338 HydrophobicContact CB-CE2 4.41Å; P155-Y338 WeakPolarHBondContact CB-OH 3.27Å; P155-Y338 WeakPolarHBondContact O-CE2 3.27Å; E156-Y338 HydrophobicContact CB-CD1 4.35Å; E156-Y338 HydrophobicContact CB-CD2 3.71Å; E156-Y338 HydrophobicContact CB-CE2 4.37Å; E156-Y338 HydrophobicContact CB-CG 3.71Å; I165-Y338 HydrophobicContact CG2-CE1 4.48Å; N166-Y338 PolarHBondContact OD1-OH 3.41Å; S335-Y338 CarbonylContact C-O 3.55Å; S335-Y338 VanDerWaalsContact C-O 3.29Å; S335-Y338 VanDerWaalsContact CA-O 3.28Å; S335-Y338 WeakPolarHBondContact CA-O 3.46Å; S335-Y338 VanDerWaalsContact CB-O 3.23Å; S335-Y338 WeakPolarHBondContact CB-O 3.43Å

Retrieved 338 of 338 residues in 98.5 ms (Link to these results)

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