A0A077ZM72_TRITR Loading...

FMN bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM72, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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	44	Very low	49.1	Very low	247 Å²	247	162 Å²	162	100%	1.217	86%	0.86	S	S	*	*				0	132.9	0	-80.5	173.3	173	0	0	108.9
2	K	44.3	Very low	49.3	Very low	198 Å²	198	159.4 Å²	159.4	86%	0.861	85%	0.854	S	S	*	*			trans	-79.1	137.3	176.2	-66.8	171.4	176.3	173.5	0	109.4
3	M	47.9	Very low	49.5	Very low	181 Å²	181	155.6 Å²	155.6	89%	0.892	84%	0.84	S	S	*	*			trans	-134.8	104.4	154.8	-78.5	-168	174.4	0	0	109
4	K	48.2	Very low	50	Low	194 Å²	194	150.7 Å²	150.7	84%	0.843	83%	0.831	S	S	*	*			trans	-92.6	129.7	162.5	-67.4	-178.2	173	-171.1	0	106.5
5	K	54.2	Low	49.7	Very low	192 Å²	192	153.5 Å²	153.5	84%	0.835	83%	0.832	S	S	*	*			trans	-123.2	114	164.2	-74.6	-168.9	175.8	-178.5	0	108.7
6	I	49.6	Very low	50.3	Low	152 Å²	152	151 Å²	151	78%	0.779	83%	0.83	S	S	*	*			trans	-85.9	129.6	171.7	-65.8	166	0	0	0	106.1
7	V	52.9	Low	50.5	Low	141 Å²	141	150.1 Å²	150.1	86%	0.855	83%	0.83	S	S	*	*			trans	-114.9	114.9	167.5	177.8	0	0	0	0	107.6
8	S	50.8	Low	50.6	Low	104 Å²	104	150.6 Å²	150.6	73%	0.727	83%	0.83	S	S	*	*			trans	-67.4	152	178.3	-82.5	0	0	0	0	112.4
9	G	43.9	Very low	50.8	Low	73 Å²	73	147.9 Å²	147.9	75%	0.753	83%	0.83	S	S	*	*			trans	-73.5	170.2	178.7	0	0	0	0	0	115.6
10	F	50.9	Low	50.8	Low	202 Å²	202	148.6 Å²	148.6	89%	0.886	83%	0.83	S	S	*	*			trans	-120.9	108.3	165.2	-91.5	-94.2	0	0	0	107.2
11	A	53.8	Low	51	Low	98 Å²	98	146.5 Å²	146.5	81%	0.81	83%	0.832	S	S	*	*			trans	-87.7	112.7	167.4	0	0	0	0	0	107.9
12	V	51.7	Low	51	Low	131 Å²	131	139.2 Å²	139.2	79%	0.794	81%	0.812	S	S	*	*			trans	-93.2	106.8	173.2	177	0	0	0	0	107.9
13	V	50.8	Low	50.9	Low	110 Å²	110	136.4 Å²	136.4	67%	0.667	82%	0.815	S	S	*	*			trans	-89.2	107.6	170.2	178.8	0	0	0	0	107.5	F15	V13-F15 HydrophobicContact CG1-CD2 3.73Å; V13-F15 HydrophobicContact CG1-CE2 3.81Å
14	A	56.8	Low	50.4	Low	87 Å²	87	131.6 Å²	131.6	72%	0.719	81%	0.812	S	S	*	*			trans	-92.8	103.9	171.6	0	0	0	0	0	109.4
15	F	46.5	Very low	49.9	Very low	192 Å²	192	126.1 Å²	126.1	84%	0.842	81%	0.81	S	S	*	*			trans	-82	123	163.6	-92.1	-91.1	0	0	0	108.8	V13	V13-F15 HydrophobicContact CG1-CD2 3.73Å; V13-F15 HydrophobicContact CG1-CE2 3.81Å
16	S	58.2	Low	48.9	Very low	114 Å²	114	124.1 Å²	124.1	80%	0.797	81%	0.809	S	S	*	*			trans	-128.9	114.5	168.7	-60	0	0	0	0	109.2
17	T	54.7	Low	48.3	Very low	135 Å²	135	123.6 Å²	123.6	83%	0.828	81%	0.808	S	S	*	*			trans	-75	135.2	-174.9	43.7	0	0	0	0	112.5	A19	T17-A19 PolarHBondContact O-N 3.45Å
18	L	51.5	Low	47.3	Very low	160 Å²	160	124.3 Å²	124.3	84%	0.838	81%	0.807	S	S	*	*			trans	-70.1	116.5	172.4	-136.9	80.6	0	0	0	109.9	L20	L18-L20 HydrophobicContact CD2-CD1 4.23Å
19	A	54.4	Low	46.4	Very low	100 Å²	100	128.4 Å²	128.4	83%	0.826	81%	0.812	S	S	*	*			trans	-98	109.7	168.2	0	0	0	0	0	109	T17	T17-A19 PolarHBondContact O-N 3.45Å
20	L	50.2	Low	45.9	Very low	160 Å²	160	132.1 Å²	132.1	84%	0.838	81%	0.814	S	S	*	*			trans	-73.9	126.9	165.7	-84.5	78.4	0	0	0	109	L18	L18-L20 HydrophobicContact CD2-CD1 4.23Å
21	A	56.4	Low	45.1	Very low	106 Å²	106	129.1 Å²	129.1	88%	0.876	81%	0.812	S	S	*	*			trans	-128.4	125.7	159	0	0	0	0	0	108.6
22	A	42.6	Very low	44.2	Very low	94 Å²	94	129.1 Å²	129.1	78%	0.777	81%	0.812	S	S	*	*			trans	-92	152.2	-171	0	0	0	0	0	112.7
23	C	42.7	Very low	43.5	Very low	138 Å²	138	127.1 Å²	127.1	93%	0.932	81%	0.81	S	S	*	*			trans	40.8	115.8	149.2	-67.6	0	0	0	0	120.5
24	G	38.2	Very low	42.8	Very low	81 Å²	81	127.4 Å²	127.4	84%	0.835	82%	0.816	S	S	*	*			trans	161.6	112.3	142.6	0	0	0	0	0	114.7
25	G	37.4	Very low	41.8	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	82%	0.815	S	S	*	*			trans	103.5	94	149.9	0	0	0	0	0	117.9
26	N	34.2	Very low	41.3	Very low	150 Å²	150	123.9 Å²	123.9	80%	0.802	81%	0.81	S	S	*	*			trans	10.1	113.3	138.5	-135.9	73.8	0	0	0	118.3
27	D	37	Very low	40	Very low	142 Å²	142	123.7 Å²	123.7	76%	0.759	81%	0.805	S	S	*	*				167.4	139.2	123.6	-84.5	-16.8	0	0	0	110.8
28	D	30.7	Very low	39.3	Very low	156 Å²	156	122.2 Å²	122.2	83%	0.834	80%	0.8	S	S	*	*			trans	-54.1	123.9	-174.3	-66.1	-66.4	0	0	0	115.4
29	K	32.3	Very low	38.7	Very low	190 Å²	190	119 Å²	119	83%	0.826	79%	0.791	S	S	*	*				172.9	150.2	123.8	-97.1	173	-174.5	175.3	0	112.1
30	D	33.1	Very low	38.2	Very low	150 Å²	150	118.9 Å²	118.9	80%	0.802	78%	0.784	S	S	*	*			trans	78.8	80.9	166.5	-56.7	-25.7	0	0	0	117.1	A32	D30-A32 PolarHBondContact O-N 2.85Å
31	T	34.2	Very low	38	Very low	139 Å²	139	119 Å²	119	85%	0.853	78%	0.78	S	S	*	*			trans	-45.2	105.6	150.2	-52.9	0	0	0	0	109.7	A33	T31-A33 PolarHBondContact O-N 3Å
32	A	35.3	Very low	37.8	Very low	98 Å²	98	117.8 Å²	117.8	81%	0.81	77%	0.77	S	S	*	*			trans	-61.1	89.3	166.2	0	0	0	0	0	108.9	D30 S34	D30-A32 PolarHBondContact O-N 2.85Å; A32-S34 PolarHBondContact O-N 3.06Å; A32-S34 VanDerWaalsContact O-N 3.13Å
33	A	37.3	Very low	39	Very low	89 Å²	89	118 Å²	118	74%	0.736	76%	0.762	S	S	*	*			trans	-63.5	112.3	163.1	0	0	0	0	0	106.5	T31 S35	T31-A33 PolarHBondContact O-N 3Å; A33-S35 PolarHBondContact O-N 3.3Å
34	S	35.7	Very low	40.7	Very low	116 Å²	116	120.2 Å²	120.2	81%	0.811	76%	0.755	S	S	*	*			trans	-39.7	101.7	175.1	-169.7	0	0	0	0	109.8	A32 S36	A32-S34 PolarHBondContact O-N 3.06Å; A32-S34 VanDerWaalsContact O-N 3.13Å; S34-S36 VanDerWaalsContact C-N 3.28Å; S34-S36 PolarHBondContact O-N 3.07Å
35	S	35.4	Very low	42.9	Very low	97 Å²	97	119.6 Å²	119.6	68%	0.678	74%	0.737	S	S	*	*			trans	-63.2	100.1	167.8	49.7	0	0	0	0	105.7	A33 T37	A33-S35 PolarHBondContact O-N 3.3Å; S35-T37 PolarHBondContact O-N 3.29Å
36	S	36.2	Very low	45.4	Very low	108 Å²	108	118.5 Å²	118.5	76%	0.755	72%	0.72	S	S	*	*			trans	-56.4	91.4	154.4	48.9	0	0	0	0	105.8	S34 S38	S34-S36 VanDerWaalsContact C-N 3.28Å; S34-S36 PolarHBondContact O-N 3.07Å; S36-S38 PolarHBondContact O-N 2.96Å
37	T	30.6	Very low	48.3	Very low	110 Å²	110	118.2 Å²	118.2	68%	0.675	71%	0.714	S	S	*	*			trans	-54.6	93.6	159.2	-67.6	0	0	0	0	104.9	S35 S39	S35-T37 PolarHBondContact O-N 3.29Å; T37-S39 PolarHBondContact O-N 3.17Å
38	S	39.5	Very low	51.1	Low	105 Å²	105	115.4 Å²	115.4	73%	0.734	70%	0.695	S	S	*	*			trans	-60.6	97.4	161.3	-174.5	0	0	0	0	104.1	S36 S40	S36-S38 PolarHBondContact O-N 2.96Å; S38-S40 PolarHBondContact O-N 2.98Å
39	S	39.5	Very low	54.2	Low	92 Å²	92	111 Å²	111	64%	0.643	67%	0.673	S	S	*	*			trans	-54.2	95.9	168.5	-54.5	0	0	0	0	105.7	T37 E41	T37-S39 PolarHBondContact O-N 3.17Å; S39-E41 PolarHBondContact O-N 3.35Å
40	S	43.8	Very low	57.3	Low	97 Å²	97	103.3 Å²	103.3	68%	0.678	65%	0.645	S	S	*	*			trans	-72.9	53.6	171.6	66.4	0	0	0	0	108.7	S38 A42	S38-S40 PolarHBondContact O-N 2.98Å; S40-A42 PolarHBondContact O-N 3.41Å; S40-A42 VanDerWaalsContact O-N 3.14Å
41	E	46.1	Very low	60.4	Low	163 Å²	163	96.8 Å²	96.8	76%	0.762	61%	0.613	S	S	*	*			trans	-56.4	122.4	160.7	-79.1	-171.1	156	0	0	105.6	S39 V43	S39-E41 PolarHBondContact O-N 3.35Å; E41-V43 VanDerWaalsContact C-N 3.28Å; E41-V43 PolarHBondContact O-N 3.22Å
42	A	53.1	Low	63.3	Low	81 Å²	81	91.1 Å²	91.1	67%	0.669	58%	0.583	S	S	*	*			trans	-60.3	99.8	173	0	0	0	0	0	106.6	S40 K44	S40-A42 PolarHBondContact O-N 3.41Å; S40-A42 VanDerWaalsContact O-N 3.14Å; A42-K44 PolarHBondContact O-N 3.01Å
43	V	66.7	Low	66.3	Low	98 Å²	98	91.6 Å²	91.6	59%	0.594	57%	0.572	S	S	*	*			trans	-56.6	110.3	169.4	-179.3	0	0	0	0	105.3	E41	E41-V43 VanDerWaalsContact C-N 3.28Å; E41-V43 PolarHBondContact O-N 3.22Å
44	K	79.1	Confident	69.3	Low	184 Å²	184	88.1 Å²	88.1	80%	0.8	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-66.3	137.4	172.4	-77.8	-174.4	175.6	178.5	0	107.2	A42 A46	A42-K44 PolarHBondContact O-N 3.01Å; K44-A46 PolarHBondContact O-N 3.43Å
45	P	83.8	Confident	72.3	Confident	69 Å²	69	87.7 Å²	87.7	45%	0.448	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-52.5	137.5	170.6	-16.9	22.8	0	0	0	109.8	Q129 Q131	P45-Q129 WeakPolarHBondContact CG-O 3.29Å; P45-Q131 HydrophobicContact CB-CB 4.37Å; P45-Q131 HydrophobicContact CB-CG 4.07Å; P45-Q131 HydrophobicContact CG-CG 3.84Å
46	A	90.6	Very high	75.3	Confident	54 Å²	54	87.3 Å²	87.3	45%	0.446	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-61.6	154.8	172.3	0	0	0	0	0	110.6	K44 K48 T297	K44-A46 PolarHBondContact O-N 3.43Å; A46-K48 PolarHBondContact O-N 3.5Å; A46-T297 HydrophobicContact CB-CG2 4.03Å
47	E	94.3	Very high	78.3	Confident	144 Å²	144	83.2 Å²	83.2	67%	0.673	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-74.1	116.8	-174.5	-173.7	-179.1	159.2	0	0	110	V49 T297 K298	E47-V49 PolarHBondContact O-N 2.92Å; E47-T297 CarbonylContact O-C 3.55Å; E47-T297 WeakPolarHBondContact O-CA 3.49Å; E47-K298 PolarHBondContact N-O 2.76Å; E47-K298 PolarHBondContact O-N 2.81Å
48	K	95.4	Very high	81.5	Confident	83 Å²	83	80.9 Å²	80.9	36%	0.361	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	121.9	175.2	-174.7	179.7	71.6	158.7	0	110.3	A46 A50 G51 G52 D53 I295	A46-K48 PolarHBondContact O-N 3.5Å; K48-A50 WeakPolarHBondContact CG-O 3.31Å; K48-G51 PolarHBondContact NZ-O 2.87Å; K48-G52 PolarHBondContact NZ-O 2.84Å; K48-D53 IonicContact NZ-OD1 3.39Å; K48-D53 PolarHBondContact NZ-OD1 3.26Å; K48-I295 HydrophobicContact CD-CG2 4.24Å; K48-I295 HydrophobicContact CG-CG2 4.1Å
49	V	96.5	Very high	84.3	Confident	64 Å²	64	76 Å²	76	39%	0.388	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-21	175.9	-62.8	0	0	0	0	113.7	E47 V296 K298	E47-V49 PolarHBondContact O-N 2.92Å; V49-V296 HydrophobicContact CG2-CB 3.94Å; V49-V296 HydrophobicContact CG2-CG1 3.66Å; V49-V296 WeakPolarHBondContact CG2-O 3.42Å; V49-V296 PolarHBondContact N-O 3.2Å; V49-K298 HydrophobicContact CG1-CB 4.13Å; V49-K298 HydrophobicContact CG1-CD 3.72Å; V49-K298 HydrophobicContact CG1-CG 3.7Å; V49-K298 HydrophobicContact CG2-CG 4.08Å
50	A	97.1	Very high	87.2	Confident	28 Å²	28	75.3 Å²	75.3	23%	0.231	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	167.1	170.8	0	0	0	0	0	110.3	K48 N187 V296	K48-A50 WeakPolarHBondContact CG-O 3.31Å; A50-N187 HydrophobicContact CB-CB 3.76Å; A50-V296 HydrophobicContact CB-CB 3.94Å; A50-V296 HydrophobicContact CB-CG2 4.01Å; A50-V296 PolarHBondContact N-O 2.88Å; A50-V296 PolarHBondContact O-N 3.07Å
51	G	97.5	Very high	89.8	Confident	13 Å²	13	70.8 Å²	70.8	13%	0.134	39%	0.394	C	S	.	.	S	Bend	trans	108.6	130.3	-169.6	0	0	0	0	0	111.3	K48 N187 D293	K48-G51 PolarHBondContact NZ-O 2.87Å; G51-N187 WeakPolarHBondContact CA-ND2 3.45Å; G51-N187 PolarHBondContact N-ND2 3.47Å; G51-D293 VanDerWaalsContact CA-OD1 3.28Å; G51-D293 WeakPolarHBondContact CA-OD1 3.49Å
52	G	96.9	Very high	92.3	Very high	21 Å²	21	65.7 Å²	65.7	22%	0.216	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-50.8	148.7	176.1	0	0	0	0	0	112.9	K48 Q161 D293	K48-G52 PolarHBondContact NZ-O 2.84Å; G52-Q161 PolarHBondContact O-NE2 3.21Å; G52-D293 VanDerWaalsContact N-CG 3.3Å; G52-D293 PolarHBondContact N-OD1 3.35Å; G52-D293 PolarHBondContact N-OD2 2.82Å
53	D	98.1	Very high	94.5	Very high	108 Å²	108	62.2 Å²	62.2	58%	0.578	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-69.3	137.6	171.8	-64.5	-33.9	0	0	0	110.4	K48 K55	K48-D53 IonicContact NZ-OD1 3.39Å; K48-D53 PolarHBondContact NZ-OD1 3.26Å; D53-K55 PolarHBondContact O-N 3.35Å
54	L	98.6	Very high	96	Very high	16 Å²	16	62 Å²	62	8%	0.084	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-70.2	129.2	175.3	-50.8	-176.3	0	0	0	108.6	V78 G81 I83 V157 A160 Q161	L54-V78 HydrophobicContact CB-CB 4.47Å; L54-V78 HydrophobicContact CB-CG1 3.55Å; L54-V78 HydrophobicContact CB-CG2 4.13Å; L54-V78 HydrophobicContact CD1-CG1 4.43Å; L54-V78 HydrophobicContact CD1-CG2 4.16Å; L54-G81 WeakPolarHBondContact O-CA 3.49Å; L54-I83 HydrophobicContact CD1-CD1 4.27Å; L54-I83 HydrophobicContact CD1-CG1 3.65Å; L54-V157 HydrophobicContact CD2-CG1 4.05Å; L54-A160 HydrophobicContact CB-CB 4.37Å; L54-A160 HydrophobicContact CD2-CB 4.13Å; L54-Q161 HydrophobicContact CD2-CG 3.74Å
55	K	98.7	Very high	96.9	Very high	106 Å²	106	56.2 Å²	56.2	46%	0.461	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-79.6	142.9	171.7	-53.3	-52.6	177.2	-168.7	0	109	D53 Y59 V78 A160	D53-K55 PolarHBondContact O-N 3.35Å; K55-Y59 WeakPolarHBondContact O-CE2 3.28Å; K55-Y59 PolarHBondContact O-OH 2.8Å; K55-V78 VanDerWaalsContact O-CB 3.29Å; K55-V78 WeakPolarHBondContact O-CB 3.32Å; K55-V78 VanDerWaalsContact O-CG1 3.25Å; K55-V78 WeakPolarHBondContact O-CG1 3.19Å; K55-A160 WeakPolarHBondContact CB-O 3.35Å; K55-A160 WeakPolarHBondContact CG-O 3.42Å; K55-A160 PolarHBondContact N-O 2.85Å
56	D	98.8	Very high	97.6	Very high	89 Å²	89	57.3 Å²	57.3	48%	0.476	31%	0.305	S	S	.	.	S	Bend	trans	-66.3	137.4	177.1	-75.3	10.3	0	0	0	110.3	V78 K79 D80 G81	D56-V78 WeakPolarHBondContact CA-O 3.23Å; D56-K79 WeakPolarHBondContact OD1-CA 3.34Å; D56-D80 VanDerWaalsContact CG-N 3.25Å; D56-D80 PolarHBondContact OD1-N 3.11Å; D56-D80 PolarHBondContact OD2-N 3.16Å; D56-G81 PolarHBondContact OD1-N 2.98Å
57	G	98.7	Very high	97.9	Very high	23 Å²	23	57 Å²	57	24%	0.237	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-178	-174.8	0	0	0	0	0	113.2	T77 V78	G57-T77 WeakPolarHBondContact O-CA 3.45Å; G57-V78 PolarHBondContact N-O 3.22Å; G57-V78 PolarHBondContact O-N 2.93Å
58	T	98.8	Very high	97.9	Very high	60 Å²	60	57 Å²	57	37%	0.368	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	123.9	168.1	-62.7	0	0	0	0	108	K60 M76	T58-K60 HydrophobicContact CG2-CG 4.35Å; T58-M76 WeakPolarHBondContact CA-O 3.45Å
59	Y	98.9	Very high	98	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.2	-177.4	-57.7	-82.8	0	0	0	107.9	K55 D75 M76 V78 A159 A160 D164 T165	K55-Y59 WeakPolarHBondContact O-CE2 3.28Å; K55-Y59 PolarHBondContact O-OH 2.8Å; Y59-D75 WeakPolarHBondContact O-CA 3.36Å; Y59-M76 HydrophobicContact CD2-CE 3.99Å; Y59-M76 HydrophobicContact CG-CE 4.36Å; Y59-M76 PolarHBondContact N-O 3.13Å; Y59-M76 PolarHBondContact O-N 3.25Å; Y59-V78 HydrophobicContact CD2-CG2 4.11Å; Y59-V78 HydrophobicContact CE2-CB 4.15Å; Y59-V78 HydrophobicContact CE2-CG2 3.91Å; Y59-A159 HydrophobicContact CD1-CB 3.96Å; Y59-A159 WeakPolarHBondContact CE1-O 3.16Å; Y59-A160 HydrophobicContact CD1-CB 4.31Å; Y59-A160 HydrophobicContact CD2-CB 3.73Å; Y59-A160 VanDerWaalsContact CE1-CA 3.47Å; Y59-A160 HydrophobicContact CE1-CB 4.15Å; Y59-A160 HydrophobicContact CE2-CB 3.51Å; Y59-A160 HydrophobicContact CG-CB 4.13Å; Y59-D164 VanDerWaalsContact CD1-O 3.24Å; Y59-D164 WeakPolarHBondContact CD1-O 3.44Å; Y59-D164 WeakPolarHBondContact CE1-O 3.31Å; Y59-T165 HydrophobicContact CE1-CG2 3.99Å
60	K	98.9	Very high	98.1	Very high	78 Å²	78	52.7 Å²	52.7	34%	0.339	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	139.7	-171	-51.4	-166.6	164.6	-78.4	0	110.5	T58 F74 D75 T167 I168	T58-K60 HydrophobicContact CG2-CG 4.35Å; K60-F74 CarbonylContact C-O 3.54Å; K60-F74 WeakPolarHBondContact CA-O 3.43Å; K60-D75 WeakPolarHBondContact CD-OD1 3.47Å; K60-D75 WeakPolarHBondContact CG-OD1 3.2Å; K60-D75 IonicContact NZ-OD1 2.81Å; K60-D75 PolarHBondContact NZ-OD1 2.81Å; K60-D75 IonicContact NZ-OD2 2.76Å; K60-D75 PolarHBondContact NZ-OD2 2.61Å; K60-T167 HydrophobicContact CB-CG2 4.1Å; K60-T167 WeakPolarHBondContact O-CA 3.35Å; K60-I168 PolarHBondContact O-N 2.82Å
61	L	98.8	Very high	98.2	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.9	171.6	178	153.5	0	0	0	108.8	F74 Y152 Q155 L156 I168 I170	L61-F74 HydrophobicContact CB-CB 4.4Å; L61-F74 HydrophobicContact CD2-CB 4.48Å; L61-F74 PolarHBondContact N-O 3.13Å; L61-F74 PolarHBondContact O-N 3.02Å; L61-Y152 HydrophobicContact CD1-CD1 3.96Å; L61-Y152 HydrophobicContact CD1-CG 3.93Å; L61-Y152 HydrophobicContact CD2-CD1 4.11Å; L61-Y152 HydrophobicContact CD2-CD2 3.66Å; L61-Y152 HydrophobicContact CD2-CE2 4.19Å; L61-Y152 HydrophobicContact CD2-CG 3.63Å; L61-Y152 HydrophobicContact CG-CG 4.47Å; L61-Q155 HydrophobicContact CD1-CB 4.18Å; L61-L156 HydrophobicContact CB-CD1 4.37Å; L61-L156 HydrophobicContact CB-CD2 3.84Å; L61-L156 HydrophobicContact CB-CG 4.11Å; L61-I168 CarbonylContact C-O 3.54Å; L61-I168 VanDerWaalsContact CA-O 3.24Å; L61-I168 WeakPolarHBondContact CA-O 3.36Å; L61-I168 HydrophobicContact CB-CB 4.09Å; L61-I168 HydrophobicContact CD1-CB 4.14Å; L61-I168 HydrophobicContact CD1-CD1 4.43Å; L61-I168 HydrophobicContact CD1-CG2 3.95Å; L61-I168 HydrophobicContact CG-CB 4.09Å; L61-I168 HydrophobicContact CG-CG2 4.23Å; L61-I170 HydrophobicContact CD1-CD1 4.01Å; L61-I170 HydrophobicContact CD1-CG1 3.96Å; L61-I170 HydrophobicContact CD2-CG1 3.84Å; L61-I170 HydrophobicContact CG-CD1 4.37Å; L61-I170 HydrophobicContact CG-CG1 3.87Å
62	E	98.7	Very high	98.2	Very high	57 Å²	57	53.2 Å²	53.2	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.4	172.6	67.3	-177.5	151.9	0	0	112.4	R71 V72 V73 T167 I168 E169 I170	E62-R71 IonicContact OE2-CZ 3.68Å; E62-R71 IonicContact OE2-NH1 3.27Å; E62-R71 PolarHBondContact OE2-NH1 2.79Å; E62-R71 IonicContact OE2-NH2 3.41Å; E62-R71 PolarHBondContact OE2-NH2 3.14Å; E62-V72 WeakPolarHBondContact CA-O 3.45Å; E62-V73 HydrophobicContact CB-CG1 4.29Å; E62-T167 HydrophobicContact CG-CG2 3.99Å; E62-I168 PolarHBondContact N-O 3.47Å; E62-E169 WeakPolarHBondContact O-CA 3.46Å; E62-I170 PolarHBondContact O-N 2.72Å
63	E	98.8	Very high	98.3	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.033	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	139.3	168.1	-80.8	176.8	174.7	0	0	110	R71 V72 Y152 I170 N172	E63-R71 HydrophobicContact CB-CB 3.98Å; E63-R71 WeakPolarHBondContact O-CD 3.37Å; E63-R71 PolarHBondContact O-NH1 2.95Å; E63-V72 HydrophobicContact CB-CB 4.39Å; E63-V72 HydrophobicContact CG-CB 3.91Å; E63-V72 HydrophobicContact CG-CG2 4.49Å; E63-V72 PolarHBondContact N-O 3.2Å; E63-V72 PolarHBondContact OE2-N 2.95Å; E63-Y152 HydrophobicContact CG-CE2 4.17Å; E63-Y152 WeakPolarHBondContact OE1-CE2 2.76Å; E63-Y152 PolarHBondContact OE1-OH 3.34Å; E63-I170 CarbonylContact C-O 3.58Å; E63-I170 WeakPolarHBondContact CA-O 3.5Å; E63-I170 HydrophobicContact CG-CB 4.28Å; E63-N172 VanDerWaalsContact CB-OD1 3.26Å; E63-N172 WeakPolarHBondContact CB-OD1 3.37Å; E63-N172 HydrophobicContact CG-CB 4.01Å; E63-N172 PolarHBondContact OE2-ND2 3.01Å
64	K	98.3	Very high	98.4	Very high	95 Å²	95	48.5 Å²	48.5	41%	0.413	26%	0.259	S	S	.	.	S	Bend	trans	-78.8	-39.4	175	-66.7	-170	179.1	-168.4	0	111.8	E169 I170 D171 N172	K64-E169 WeakPolarHBondContact CE-OE2 3.36Å; K64-E169 HydrophobicContact CG-CB 4.38Å; K64-E169 IonicContact NZ-OE2 2.82Å; K64-E169 PolarHBondContact NZ-OE2 2.8Å; K64-I170 PolarHBondContact N-O 3.17Å; K64-D171 HydrophobicContact CD-CB 4.21Å; K64-N172 PolarHBondContact N-OD1 3.46Å
65	N	98.5	Very high	98.4	Very high	61 Å²	61	50 Å²	50	33%	0.326	27%	0.267	S	S	.	.	S	Bend	trans	-106.5	143.5	-167.8	-54.6	-47.9	0	0	0	110.9	D171 N172	N65-D171 PolarHBondContact ND2-OD1 3.37Å; N65-N172 VanDerWaalsContact CB-O 3.3Å; N65-N172 WeakPolarHBondContact CB-O 3.49Å; N65-N172 PolarHBondContact N-OD1 2.96Å; N65-N172 PolarHBondContact ND2-O 3.49Å; N65-N172 PolarHBondContact O-ND2 3.29Å; N65-N172 PolarHBondContact O-OD1 2.86Å
66	Y	98.3	Very high	98.4	Very high	92 Å²	92	45 Å²	45	36%	0.361	25%	0.245	S	C	.	.			trans	-83	129.9	174.8	-67.9	-94.4	0	0	0	110.4	Y70 R71 N92 E93	Y66-Y70 CarbonylContact C-O 3.49Å; Y66-Y70 WeakPolarHBondContact CA-O 3.29Å; Y66-R71 HydrophobicContact CD1-CB 4.09Å; Y66-R71 HydrophobicContact CD1-CG 4.33Å; Y66-R71 HydrophobicContact CE1-CB 4.17Å; Y66-R71 HydrophobicContact CE1-CG 3.89Å; Y66-R71 HydrophobicContact CG-CB 4.42Å; Y66-N92 VanDerWaalsContact CE1-C 3.5Å; Y66-E93 HydrophobicContact CD1-CG 4.2Å; Y66-E93 HydrophobicContact CD2-CG 4.35Å; Y66-E93 HydrophobicContact CE1-CG 3.86Å; Y66-E93 HydrophobicContact CE2-CG 3.99Å; Y66-E93 HydrophobicContact CG-CG 4.45Å
67	A	96.3	Very high	98.4	Very high	49 Å²	49	42.5 Å²	42.5	41%	0.405	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-116.5	124	169.3	0	0	0	0	0	109.3	G69 Y70	A67-G69 PolarHBondContact O-N 2.77Å; A67-Y70 PolarHBondContact N-O 2.79Å; A67-Y70 PolarHBondContact O-N 2.86Å; A67-Y70 VanDerWaalsContact O-N 3.17Å; A67-Y70 VanDerWaalsContact O-O 3.09Å
68	N	94.8	Very high	98.4	Very high	143 Å²	143	41.6 Å²	41.6	77%	0.765	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.6	-173.7	-54.1	-64.1	0	0	0	113.5	Y70	N68-Y70 VanDerWaalsContact C-N 3.35Å; N68-Y70 VanDerWaalsContact O-CD2 3.25Å; N68-Y70 WeakPolarHBondContact O-CD2 3.2Å
69	G	97.8	Very high	98.4	Very high	44 Å²	44	44.7 Å²	44.7	45%	0.454	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	6.7	-180	0	0	0	0	0	115.1	A67 N92	A67-G69 PolarHBondContact O-N 2.77Å; G69-N92 VanDerWaalsContact O-CA 3.3Å; G69-N92 WeakPolarHBondContact O-CA 3.15Å; G69-N92 WeakPolarHBondContact O-CB 3.11Å
70	Y	98.6	Very high	98.3	Very high	13 Å²	13	50.8 Å²	50.8	5%	0.051	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-133.2	149.2	-178	-67.3	-85	0	0	0	112.4	Y66 A67 N68 L91 N92 K98 D101 Y104	Y66-Y70 CarbonylContact C-O 3.49Å; Y66-Y70 WeakPolarHBondContact CA-O 3.29Å; A67-Y70 PolarHBondContact N-O 2.79Å; A67-Y70 PolarHBondContact O-N 2.86Å; A67-Y70 VanDerWaalsContact O-N 3.17Å; A67-Y70 VanDerWaalsContact O-O 3.09Å; N68-Y70 VanDerWaalsContact C-N 3.35Å; N68-Y70 VanDerWaalsContact O-CD2 3.25Å; N68-Y70 WeakPolarHBondContact O-CD2 3.2Å; Y70-L91 CarbonylContact C-O 3.55Å; Y70-L91 VanDerWaalsContact CA-O 3.31Å; Y70-L91 WeakPolarHBondContact CA-O 3.26Å; Y70-N92 HydrophobicContact CD1-CB 3.96Å; Y70-N92 HydrophobicContact CE1-CB 3.75Å; Y70-K98 HydrophobicContact CD1-CB 3.66Å; Y70-K98 HydrophobicContact CD1-CG 4.16Å; Y70-K98 HydrophobicContact CD2-CD 4.32Å; Y70-K98 HydrophobicContact CD2-CG 4.19Å; Y70-K98 VanDerWaalsContact CE1-CA 3.44Å; Y70-K98 HydrophobicContact CE1-CB 3.49Å; Y70-K98 VanDerWaalsContact CE1-CB 3.49Å; Y70-K98 HydrophobicContact CE1-CG 3.94Å; Y70-K98 HydrophobicContact CE2-CB 4.43Å; Y70-K98 HydrophobicContact CE2-CG 3.97Å; Y70-K98 HydrophobicContact CG-CB 4.23Å; Y70-K98 HydrophobicContact CG-CD 4.4Å; Y70-K98 HydrophobicContact CG-CG 4.3Å; Y70-D101 VanDerWaalsContact OH-CB 3.24Å; Y70-D101 WeakPolarHBondContact OH-CB 3.43Å; Y70-D101 PolarHBondContact OH-OD2 2.99Å; Y70-Y104 HydrophobicContact CE2-CD2 4.07Å; Y70-Y104 HydrophobicContact CE2-CE2 4.46Å
71	R	98.6	Very high	98.3	Very high	51 Å²	51	48.6 Å²	48.6	19%	0.192	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	149.5	167.6	75.5	-174.4	-170.5	103.3	1.6	109.9	E62 E63 Y66 Y90 L91	E62-R71 IonicContact OE2-CZ 3.68Å; E62-R71 IonicContact OE2-NH1 3.27Å; E62-R71 PolarHBondContact OE2-NH1 2.79Å; E62-R71 IonicContact OE2-NH2 3.41Å; E62-R71 PolarHBondContact OE2-NH2 3.14Å; E63-R71 HydrophobicContact CB-CB 3.98Å; E63-R71 WeakPolarHBondContact O-CD 3.37Å; E63-R71 PolarHBondContact O-NH1 2.95Å; Y66-R71 HydrophobicContact CD1-CB 4.09Å; Y66-R71 HydrophobicContact CD1-CG 4.33Å; Y66-R71 HydrophobicContact CE1-CB 4.17Å; Y66-R71 HydrophobicContact CE1-CG 3.89Å; Y66-R71 HydrophobicContact CG-CB 4.42Å; R71-Y90 CarbonylContact O-C 3.6Å; R71-Y90 WeakPolarHBondContact O-CA 3.1Å; R71-L91 PolarHBondContact N-O 3.41Å; R71-L91 PolarHBondContact O-N 2.77Å
72	V	98.8	Very high	98.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.3	173.9	173.2	0	0	0	0	111.3	E62 E63 F74 Y88 D89 Y90 Y152	E62-V72 WeakPolarHBondContact CA-O 3.45Å; E63-V72 HydrophobicContact CB-CB 4.39Å; E63-V72 HydrophobicContact CG-CB 3.91Å; E63-V72 HydrophobicContact CG-CG2 4.49Å; E63-V72 PolarHBondContact N-O 3.2Å; E63-V72 PolarHBondContact OE2-N 2.95Å; V72-F74 HydrophobicContact CG1-CB 4.3Å; V72-Y88 HydrophobicContact CB-CE2 4.39Å; V72-Y88 HydrophobicContact CG1-CD2 3.78Å; V72-Y88 HydrophobicContact CG1-CE2 3.46Å; V72-Y88 VanDerWaalsContact CG1-CE2 3.46Å; V72-Y88 HydrophobicContact CG2-CE2 3.94Å; V72-D89 VanDerWaalsContact CA-O 3.3Å; V72-D89 WeakPolarHBondContact CA-O 3.28Å; V72-Y90 HydrophobicContact CG2-CD1 3.52Å; V72-Y90 HydrophobicContact CG2-CE1 3.26Å; V72-Y90 HydrophobicContact CG2-CG 4.27Å; V72-Y152 HydrophobicContact CB-CD2 4.39Å; V72-Y152 HydrophobicContact CB-CE2 4Å; V72-Y152 HydrophobicContact CG1-CD2 3.87Å; V72-Y152 HydrophobicContact CG1-CE2 4.01Å; V72-Y152 HydrophobicContact CG2-CE2 4.02Å
73	V	98.8	Very high	98.3	Very high	30 Å²	30	52.2 Å²	52.2	18%	0.182	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.8	156.2	-59.8	0	0	0	0	108.2	E62 D89 L91	E62-V73 HydrophobicContact CB-CG1 4.29Å; V73-D89 HydrophobicContact CG2-CB 4.29Å; V73-D89 PolarHBondContact N-O 3.03Å; V73-D89 PolarHBondContact O-N 3.27Å; V73-D89 VanDerWaalsContact O-O 3.14Å; V73-L91 HydrophobicContact CB-CD1 4.46Å; V73-L91 HydrophobicContact CG1-CD1 3.97Å; V73-L91 HydrophobicContact CG1-CG 4.38Å; V73-L91 HydrophobicContact CG2-CD1 3.64Å; V73-L91 HydrophobicContact CG2-CG 3.76Å
74	F	98.9	Very high	98.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	113.2	-177.2	-165.3	175.3	0	0	0	111.3	K60 L61 V72 S86 N87 Y88 L127 F149 L156	K60-F74 CarbonylContact C-O 3.54Å; K60-F74 WeakPolarHBondContact CA-O 3.43Å; L61-F74 HydrophobicContact CB-CB 4.4Å; L61-F74 HydrophobicContact CD2-CB 4.48Å; L61-F74 PolarHBondContact N-O 3.13Å; L61-F74 PolarHBondContact O-N 3.02Å; V72-F74 HydrophobicContact CG1-CB 4.3Å; F74-S86 WeakPolarHBondContact CE2-OG 3.25Å; F74-S86 WeakPolarHBondContact CZ-OG 3.43Å; F74-N87 WeakPolarHBondContact CA-O 3.41Å; F74-Y88 HydrophobicContact CB-CD2 4.16Å; F74-Y88 AromaticContact CD1-CD2 3.54Å; F74-Y88 HydrophobicContact CD1-CD2 3.54Å; F74-Y88 HydrophobicContact CD1-CE2 4.45Å; F74-Y88 HydrophobicContact CD1-CG 4.35Å; F74-Y88 AromaticContact CE1-CD2 3.93Å; F74-Y88 HydrophobicContact CE1-CD2 3.93Å; F74-Y88 AromaticContact CG-CD2 3.86Å; F74-Y88 HydrophobicContact CG-CD2 3.86Å; F74-Y88 HydrophobicContact CG-CG 4.41Å; F74-L127 HydrophobicContact CZ-CD2 3.86Å; F74-F149 HydrophobicContact CE1-CD2 4.01Å; F74-F149 AromaticContact CE1-CE2 3.86Å; F74-F149 HydrophobicContact CE1-CE2 3.86Å; F74-F149 HydrophobicContact CE1-CZ 4.34Å; F74-F149 HydrophobicContact CE2-CE2 4.28Å; F74-F149 HydrophobicContact CZ-CD2 4.12Å; F74-F149 AromaticContact CZ-CE2 3.49Å; F74-F149 HydrophobicContact CZ-CE2 3.49Å; F74-F149 VanDerWaalsContact CZ-CE2 3.49Å; F74-F149 AromaticContact CZ-CZ 3.83Å; F74-F149 HydrophobicContact CZ-CZ 3.83Å; F74-L156 HydrophobicContact CB-CD1 4.05Å; F74-L156 HydrophobicContact CD1-CD1 3.53Å; F74-L156 HydrophobicContact CD2-CD1 3.73Å; F74-L156 HydrophobicContact CE1-CD1 3.91Å; F74-L156 HydrophobicContact CE2-CD1 4.02Å; F74-L156 HydrophobicContact CG-CD1 3.47Å; F74-L156 VanDerWaalsContact CG-CD1 3.47Å; F74-L156 HydrophobicContact CZ-CD1 4.13Å
75	D	98.6	Very high	98.3	Very high	49 Å²	49	55.7 Å²	55.7	26%	0.262	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.4	170.8	-65.6	-48.1	0	0	0	112.1	Y59 K60 N87	Y59-D75 WeakPolarHBondContact O-CA 3.36Å; K60-D75 WeakPolarHBondContact CD-OD1 3.47Å; K60-D75 WeakPolarHBondContact CG-OD1 3.2Å; K60-D75 IonicContact NZ-OD1 2.81Å; K60-D75 PolarHBondContact NZ-OD1 2.81Å; K60-D75 IonicContact NZ-OD2 2.76Å; K60-D75 PolarHBondContact NZ-OD2 2.61Å; D75-N87 HydrophobicContact CB-CB 4.24Å; D75-N87 PolarHBondContact N-O 2.85Å; D75-N87 VanDerWaalsContact N-O 3.09Å; D75-N87 PolarHBondContact O-N 2.8Å; D75-N87 PolarHBondContact O-ND2 3.35Å
76	M	98.9	Very high	98.3	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.3	172.1	-175.6	-176.7	73.6	0	0	110.4	T58 Y59 V78 I83 K85 L156 V157 A160	T58-M76 WeakPolarHBondContact CA-O 3.45Å; Y59-M76 HydrophobicContact CD2-CE 3.99Å; Y59-M76 HydrophobicContact CG-CE 4.36Å; Y59-M76 PolarHBondContact N-O 3.13Å; Y59-M76 PolarHBondContact O-N 3.25Å; M76-V78 HydrophobicContact CE-CG2 3.95Å; M76-I83 HydrophobicContact CG-CG1 4.42Å; M76-I83 HydrophobicContact CG-CG2 3.81Å; M76-I83 HydrophobicContact SD-CD1 3.76Å; M76-I83 HydrophobicContact SD-CG1 3.88Å; M76-I83 HydrophobicContact SD-CG2 4.22Å; M76-K85 CarbonylContact C-O 3.54Å; M76-K85 WeakPolarHBondContact CA-O 3.22Å; M76-L156 HydrophobicContact CB-CB 4.31Å; M76-L156 HydrophobicContact CB-CD1 3.94Å; M76-L156 VanDerWaalsContact CE-C 3.5Å; M76-L156 HydrophobicContact CE-CB 3.88Å; M76-L156 VanDerWaalsContact CE-O 3.24Å; M76-L156 WeakPolarHBondContact CE-O 3.25Å; M76-L156 HydrophobicContact SD-CB 4.14Å; M76-V157 HydrophobicContact CE-CG2 4.34Å; M76-V157 HydrophobicContact SD-CG2 4.13Å; M76-A160 HydrophobicContact CE-CB 3.64Å
77	T	98.9	Very high	98.3	Very high	36 Å²	36	51 Å²	51	22%	0.221	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.7	175	-57	0	0	0	0	110.3	G57 T84 K85	G57-T77 WeakPolarHBondContact O-CA 3.45Å; T77-T84 PolarHBondContact O-N 3.31Å; T77-T84 PolarHBondContact O-OG1 3.47Å; T77-K85 PolarHBondContact N-O 3.29Å; T77-K85 PolarHBondContact O-N 2.81Å
78	V	98.9	Very high	98.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.5	172	-179.9	0	0	0	0	109.5	L54 K55 D56 G57 Y59 M76 K82 A160	L54-V78 HydrophobicContact CB-CB 4.47Å; L54-V78 HydrophobicContact CB-CG1 3.55Å; L54-V78 HydrophobicContact CB-CG2 4.13Å; L54-V78 HydrophobicContact CD1-CG1 4.43Å; L54-V78 HydrophobicContact CD1-CG2 4.16Å; K55-V78 VanDerWaalsContact O-CB 3.29Å; K55-V78 WeakPolarHBondContact O-CB 3.32Å; K55-V78 VanDerWaalsContact O-CG1 3.25Å; K55-V78 WeakPolarHBondContact O-CG1 3.19Å; D56-V78 WeakPolarHBondContact CA-O 3.23Å; G57-V78 PolarHBondContact N-O 3.22Å; G57-V78 PolarHBondContact O-N 2.93Å; Y59-V78 HydrophobicContact CD2-CG2 4.11Å; Y59-V78 HydrophobicContact CE2-CB 4.15Å; Y59-V78 HydrophobicContact CE2-CG2 3.91Å; M76-V78 HydrophobicContact CE-CG2 3.95Å; V78-K82 CarbonylContact C-O 3.59Å; V78-K82 WeakPolarHBondContact CA-O 3.49Å; V78-A160 HydrophobicContact CG2-CB 4.04Å
79	K	98.7	Very high	98.6	Very high	125 Å²	125	43.3 Å²	43.3	54%	0.543	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.6	173.9	-177.6	-179.1	175.8	-179	0	109.9	D56 G81 K82 T84	D56-K79 WeakPolarHBondContact OD1-CA 3.34Å; K79-G81 PolarHBondContact O-N 2.67Å; K79-K82 PolarHBondContact N-O 2.9Å; K79-K82 PolarHBondContact O-N 3.16Å; K79-T84 HydrophobicContact CB-CG2 3.9Å
80	D	98.1	Very high	98.6	Very high	130 Å²	130	41.9 Å²	41.9	70%	0.695	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.3	-174.9	-55.2	-55	0	0	0	111.7	D56 K82	D56-D80 VanDerWaalsContact CG-N 3.25Å; D56-D80 PolarHBondContact OD1-N 3.11Å; D56-D80 PolarHBondContact OD2-N 3.16Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å
81	G	98.1	Very high	98.6	Very high	32 Å²	32	43 Å²	43	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	14.4	-178.5	0	0	0	0	0	115.8	L54 D56 K79	L54-G81 WeakPolarHBondContact O-CA 3.49Å; D56-G81 PolarHBondContact OD1-N 2.98Å; K79-G81 PolarHBondContact O-N 2.67Å
82	K	98.2	Very high	98.6	Very high	132 Å²	132	42.1 Å²	42.1	57%	0.574	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.6	-179.5	-65.9	-177.7	-179.3	179.4	0	112.4	V78 K79 D80 T84	V78-K82 CarbonylContact C-O 3.59Å; V78-K82 WeakPolarHBondContact CA-O 3.49Å; K79-K82 PolarHBondContact N-O 2.9Å; K79-K82 PolarHBondContact O-N 3.16Å; D80-K82 VanDerWaalsContact C-N 3.29Å; D80-K82 PolarHBondContact O-N 3.13Å; K82-T84 PolarHBondContact O-N 3.15Å; K82-T84 VanDerWaalsContact O-N 3.08Å
83	I	98.6	Very high	98.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	103.9	169.5	-55.2	173.5	0	0	0	107.7	L54 M76 L127 Q131 V157	L54-I83 HydrophobicContact CD1-CD1 4.27Å; L54-I83 HydrophobicContact CD1-CG1 3.65Å; M76-I83 HydrophobicContact CG-CG1 4.42Å; M76-I83 HydrophobicContact CG-CG2 3.81Å; M76-I83 HydrophobicContact SD-CD1 3.76Å; M76-I83 HydrophobicContact SD-CG1 3.88Å; M76-I83 HydrophobicContact SD-CG2 4.22Å; I83-L127 HydrophobicContact CD1-CD1 3.99Å; I83-L127 HydrophobicContact CD1-CG 4.08Å; I83-Q131 PolarHBondContact O-NE2 3.43Å; I83-V157 HydrophobicContact CD1-CG2 4.15Å
84	T	98.5	Very high	98.6	Very high	73 Å²	73	54 Å²	54	45%	0.448	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-14.5	179	56.4	0	0	0	0	113.4	T77 K79 K82	T77-T84 PolarHBondContact O-N 3.31Å; T77-T84 PolarHBondContact O-OG1 3.47Å; K79-T84 HydrophobicContact CB-CG2 3.9Å; K82-T84 PolarHBondContact O-N 3.15Å; K82-T84 VanDerWaalsContact O-N 3.08Å
85	K	98.7	Very high	98.5	Very high	102 Å²	102	56.2 Å²	56.2	44%	0.443	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	131.6	178.9	-153.6	-178	-176.1	-133.8	0	110.5	M76 T77 N87 E128	M76-K85 CarbonylContact C-O 3.54Å; M76-K85 WeakPolarHBondContact CA-O 3.22Å; T77-K85 PolarHBondContact N-O 3.29Å; T77-K85 PolarHBondContact O-N 2.81Å; K85-N87 VanDerWaalsContact CD-ND2 3.27Å; K85-N87 WeakPolarHBondContact CD-ND2 3.18Å; K85-N87 WeakPolarHBondContact CE-ND2 3.15Å; K85-N87 WeakPolarHBondContact CE-OD1 3.38Å; K85-N87 WeakPolarHBondContact CG-ND2 3.47Å; K85-N87 PolarHBondContact NZ-ND2 3.23Å; K85-N87 PolarHBondContact NZ-OD1 3.38Å; K85-E128 WeakPolarHBondContact CA-OE1 3.35Å
86	S	98.8	Very high	98.5	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.028	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.7	168.7	-178.1	0	0	0	0	108.4	F74 N124 E128	F74-S86 WeakPolarHBondContact CE2-OG 3.25Å; F74-S86 WeakPolarHBondContact CZ-OG 3.43Å; S86-N124 WeakPolarHBondContact CB-O 3.39Å; S86-N124 WeakPolarHBondContact CB-OD1 3.12Å; S86-N124 WeakPolarHBondContact O-CB 3.44Å; S86-N124 PolarHBondContact O-OD1 3.49Å; S86-N124 PolarHBondContact OG-OD1 3.01Å; S86-E128 PolarHBondContact N-OE1 3.23Å
87	N	98.7	Very high	98.5	Very high	50 Å²	50	60 Å²	60	27%	0.267	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	67.9	178.1	-44.1	-85.8	0	0	0	110.3	F74 D75 K85 N124	F74-N87 WeakPolarHBondContact CA-O 3.41Å; D75-N87 HydrophobicContact CB-CB 4.24Å; D75-N87 PolarHBondContact N-O 2.85Å; D75-N87 VanDerWaalsContact N-O 3.09Å; D75-N87 PolarHBondContact O-N 2.8Å; D75-N87 PolarHBondContact O-ND2 3.35Å; K85-N87 VanDerWaalsContact CD-ND2 3.27Å; K85-N87 WeakPolarHBondContact CD-ND2 3.18Å; K85-N87 WeakPolarHBondContact CE-ND2 3.15Å; K85-N87 WeakPolarHBondContact CE-OD1 3.38Å; K85-N87 WeakPolarHBondContact CG-ND2 3.47Å; K85-N87 PolarHBondContact NZ-ND2 3.23Å; K85-N87 PolarHBondContact NZ-OD1 3.38Å; N87-N124 PolarHBondContact N-OD1 3Å
88	Y	98.9	Very high	98.5	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	131.1	165.2	178.7	-93.4	0	0	0	109.7	V72 F74 Y90 I120 N124 F149 Y152	V72-Y88 HydrophobicContact CB-CE2 4.39Å; V72-Y88 HydrophobicContact CG1-CD2 3.78Å; V72-Y88 HydrophobicContact CG1-CE2 3.46Å; V72-Y88 VanDerWaalsContact CG1-CE2 3.46Å; V72-Y88 HydrophobicContact CG2-CE2 3.94Å; F74-Y88 HydrophobicContact CB-CD2 4.16Å; F74-Y88 AromaticContact CD1-CD2 3.54Å; F74-Y88 HydrophobicContact CD1-CD2 3.54Å; F74-Y88 HydrophobicContact CD1-CE2 4.45Å; F74-Y88 HydrophobicContact CD1-CG 4.35Å; F74-Y88 AromaticContact CE1-CD2 3.93Å; F74-Y88 HydrophobicContact CE1-CD2 3.93Å; F74-Y88 AromaticContact CG-CD2 3.86Å; F74-Y88 HydrophobicContact CG-CD2 3.86Å; F74-Y88 HydrophobicContact CG-CG 4.41Å; Y88-Y90 HydrophobicContact CE1-CD2 4.01Å; Y88-Y90 AromaticContact CE1-CE2 3.53Å; Y88-Y90 HydrophobicContact CE1-CE2 3.53Å; Y88-Y90 AromaticContact CZ-CE2 3.8Å; Y88-Y90 AromaticContact CZ-CZ 3.94Å; Y88-Y90 WeakPolarHBondContact OH-CE2 3.39Å; Y88-Y90 PolarHBondContact OH-OH 2.95Å; Y88-I120 WeakPolarHBondContact O-CG2 3.39Å; Y88-N124 VanDerWaalsContact CB-OD1 3.32Å; Y88-N124 WeakPolarHBondContact CB-OD1 3.35Å; Y88-N124 PolarHBondContact N-OD1 3.16Å; Y88-N124 PolarHBondContact O-ND2 3.38Å; Y88-F149 AromaticContact CD1-CD2 3.88Å; Y88-F149 HydrophobicContact CD1-CD2 3.88Å; Y88-F149 AromaticContact CD2-CD2 3.71Å; Y88-F149 HydrophobicContact CD2-CD2 3.71Å; Y88-F149 HydrophobicContact CD2-CE2 4.45Å; Y88-F149 HydrophobicContact CE1-CD2 4.42Å; Y88-F149 HydrophobicContact CE2-CB 4.25Å; Y88-F149 HydrophobicContact CE2-CD2 4.25Å; Y88-F149 AromaticContact CG-CD2 3.48Å; Y88-F149 HydrophobicContact CG-CD2 3.48Å; Y88-F149 VanDerWaalsContact CG-CD2 3.48Å; Y88-F149 HydrophobicContact CG-CE2 4.02Å; Y88-Y152 HydrophobicContact CE2-CD2 4.07Å
89	D	98.7	Very high	98.4	Very high	29 Å²	29	61.3 Å²	61.3	16%	0.155	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	163.9	174.2	-154.2	-10	0	0	0	111	V72 V73 L91 S97	V72-D89 VanDerWaalsContact CA-O 3.3Å; V72-D89 WeakPolarHBondContact CA-O 3.28Å; V73-D89 HydrophobicContact CG2-CB 4.29Å; V73-D89 PolarHBondContact N-O 3.03Å; V73-D89 PolarHBondContact O-N 3.27Å; V73-D89 VanDerWaalsContact O-O 3.14Å; D89-L91 HydrophobicContact CB-CD2 4.48Å; D89-S97 PolarHBondContact OD1-OG 3.01Å; D89-S97 WeakPolarHBondContact OD2-CB 3.46Å; D89-S97 PolarHBondContact OD2-OG 2.82Å
90	Y	98.7	Very high	98.4	Very high	14 Å²	14	60.5 Å²	60.5	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	119.5	169.4	-73.6	-85.7	0	0	0	108.9	R71 V72 Y88 S97 K98 Y119 I120 S145	R71-Y90 CarbonylContact O-C 3.6Å; R71-Y90 WeakPolarHBondContact O-CA 3.1Å; V72-Y90 HydrophobicContact CG2-CD1 3.52Å; V72-Y90 HydrophobicContact CG2-CE1 3.26Å; V72-Y90 HydrophobicContact CG2-CG 4.27Å; Y88-Y90 HydrophobicContact CE1-CD2 4.01Å; Y88-Y90 AromaticContact CE1-CE2 3.53Å; Y88-Y90 HydrophobicContact CE1-CE2 3.53Å; Y88-Y90 AromaticContact CZ-CE2 3.8Å; Y88-Y90 AromaticContact CZ-CZ 3.94Å; Y88-Y90 WeakPolarHBondContact OH-CE2 3.39Å; Y88-Y90 PolarHBondContact OH-OH 2.95Å; Y90-S97 CarbonylContact O-C 3.55Å; Y90-S97 WeakPolarHBondContact O-CA 3.48Å; Y90-K98 HydrophobicContact CD2-CD 4.2Å; Y90-K98 HydrophobicContact CG-CD 4.16Å; Y90-K98 VanDerWaalsContact CG-NZ 3.3Å; Y90-K98 PolarHBondContact O-N 3.16Å; Y90-Y119 HydrophobicContact CE2-CE2 4.07Å; Y90-Y119 WeakPolarHBondContact CE2-OH 3.32Å; Y90-I120 HydrophobicContact CD2-CD1 3.98Å; Y90-S145 PolarHBondContact OH-OG 3.1Å; Y90-S145 VanDerWaalsContact OH-OG 3.09Å
91	L	98.7	Very high	98.4	Very high	36 Å²	36	56.7 Å²	56.7	19%	0.188	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.1	178.2	-56.5	-174	0	0	0	111.1	Y70 R71 V73 D89 K96	Y70-L91 CarbonylContact C-O 3.55Å; Y70-L91 VanDerWaalsContact CA-O 3.31Å; Y70-L91 WeakPolarHBondContact CA-O 3.26Å; R71-L91 PolarHBondContact N-O 3.41Å; R71-L91 PolarHBondContact O-N 2.77Å; V73-L91 HydrophobicContact CB-CD1 4.46Å; V73-L91 HydrophobicContact CG1-CD1 3.97Å; V73-L91 HydrophobicContact CG1-CG 4.38Å; V73-L91 HydrophobicContact CG2-CD1 3.64Å; V73-L91 HydrophobicContact CG2-CG 3.76Å; D89-L91 HydrophobicContact CB-CD2 4.48Å; L91-K96 WeakPolarHBondContact CA-O 3.38Å
92	N	98.5	Very high	98.4	Very high	33 Å²	33	58.6 Å²	58.6	18%	0.176	31%	0.312	C	S	.	.			trans	-83.6	-179	168	71.3	9	0	0	0	111.7	Y66 G69 Y70 D94 G95 K96	Y66-N92 VanDerWaalsContact CE1-C 3.5Å; G69-N92 VanDerWaalsContact O-CA 3.3Å; G69-N92 WeakPolarHBondContact O-CA 3.15Å; G69-N92 WeakPolarHBondContact O-CB 3.11Å; Y70-N92 HydrophobicContact CD1-CB 3.96Å; Y70-N92 HydrophobicContact CE1-CB 3.75Å; N92-D94 PolarHBondContact O-N 3.41Å; N92-D94 WeakPolarHBondContact OD1-CA 3.31Å; N92-D94 WeakPolarHBondContact OD1-CB 3.46Å; N92-D94 PolarHBondContact OD1-N 3.17Å; N92-G95 WeakPolarHBondContact O-CA 3.47Å; N92-G95 PolarHBondContact O-N 3.12Å; N92-G95 PolarHBondContact OD1-N 3.28Å; N92-K96 PolarHBondContact N-O 2.6Å; N92-K96 WeakPolarHBondContact OD1-CB 3.22Å; N92-K96 PolarHBondContact OD1-N 3.5Å; N92-K96 PolarHBondContact OD1-O 2.75Å
93	E	97.8	Very high	98.4	Very high	160 Å²	160	57.8 Å²	57.8	75%	0.748	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-26	-178.8	-65.5	-172.1	156.8	0	0	113.8	Y66 G95	Y66-E93 HydrophobicContact CD1-CG 4.2Å; Y66-E93 HydrophobicContact CD2-CG 4.35Å; Y66-E93 HydrophobicContact CE1-CG 3.86Å; Y66-E93 HydrophobicContact CE2-CG 3.99Å; Y66-E93 HydrophobicContact CG-CG 4.45Å; E93-G95 VanDerWaalsContact C-N 3.27Å; E93-G95 PolarHBondContact O-N 2.89Å
94	D	97.9	Very high	98.4	Very high	118 Å²	118	60.8 Å²	60.8	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-3	174.3	-67.8	-24.6	0	0	0	113	N92 K96	N92-D94 PolarHBondContact O-N 3.41Å; N92-D94 WeakPolarHBondContact OD1-CA 3.31Å; N92-D94 WeakPolarHBondContact OD1-CB 3.46Å; N92-D94 PolarHBondContact OD1-N 3.17Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 HydrophobicContact CB-CD 4.18Å; D94-K96 HydrophobicContact CB-CG 4.11Å; D94-K96 IonicContact OD2-NZ 2.64Å; D94-K96 PolarHBondContact OD2-NZ 2.89Å
95	G	98.2	Very high	98.4	Very high	47 Å²	47	58.4 Å²	58.4	49%	0.485	31%	0.309	S	S	.	.	S	Bend	trans	75.4	17.1	-173.1	0	0	0	0	0	114.5	N92 E93	N92-G95 WeakPolarHBondContact O-CA 3.47Å; N92-G95 PolarHBondContact O-N 3.12Å; N92-G95 PolarHBondContact OD1-N 3.28Å; E93-G95 VanDerWaalsContact C-N 3.27Å; E93-G95 PolarHBondContact O-N 2.89Å
96	K	98.6	Very high	98.3	Very high	121 Å²	121	59.4 Å²	59.4	53%	0.526	31%	0.313	S	S	.	.			trans	-87.5	140.5	176.7	-60.4	170.6	-174.6	142.8	0	110.7	L91 N92 D94	L91-K96 WeakPolarHBondContact CA-O 3.38Å; N92-K96 PolarHBondContact N-O 2.6Å; N92-K96 WeakPolarHBondContact OD1-CB 3.22Å; N92-K96 PolarHBondContact OD1-N 3.5Å; N92-K96 PolarHBondContact OD1-O 2.75Å; D94-K96 VanDerWaalsContact C-N 3.34Å; D94-K96 HydrophobicContact CB-CD 4.18Å; D94-K96 HydrophobicContact CB-CG 4.11Å; D94-K96 IonicContact OD2-NZ 2.64Å; D94-K96 PolarHBondContact OD2-NZ 2.89Å
97	S	98.6	Very high	98.3	Very high	8 Å²	8	63.2 Å²	63.2	6%	0.056	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-73	138.9	179.9	175.2	0	0	0	0	112.4	D89 Y90 K99 D100 D101	D89-S97 PolarHBondContact OD1-OG 3.01Å; D89-S97 WeakPolarHBondContact OD2-CB 3.46Å; D89-S97 PolarHBondContact OD2-OG 2.82Å; Y90-S97 CarbonylContact O-C 3.55Å; Y90-S97 WeakPolarHBondContact O-CA 3.48Å; S97-K99 PolarHBondContact O-N 2.83Å; S97-K99 WeakPolarHBondContact OG-CE 3.32Å; S97-K99 VanDerWaalsContact OG-CG 3.23Å; S97-K99 WeakPolarHBondContact OG-CG 3.49Å; S97-K99 PolarHBondContact OG-N 3.25Å; S97-K99 VanDerWaalsContact OG-N 3.17Å; S97-D100 PolarHBondContact O-N 2.87Å; S97-D101 PolarHBondContact O-N 3.03Å
98	K	98.4	Very high	98.2	Very high	7 Å²	7	62.3 Å²	62.3	3%	0.03	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.1	-31	171.7	-169.2	-173.2	-77.3	172.1	0	112.7	Y70 Y90 D100 D101 Y104 P116	Y70-K98 HydrophobicContact CD1-CB 3.66Å; Y70-K98 HydrophobicContact CD1-CG 4.16Å; Y70-K98 HydrophobicContact CD2-CD 4.32Å; Y70-K98 HydrophobicContact CD2-CG 4.19Å; Y70-K98 VanDerWaalsContact CE1-CA 3.44Å; Y70-K98 HydrophobicContact CE1-CB 3.49Å; Y70-K98 VanDerWaalsContact CE1-CB 3.49Å; Y70-K98 HydrophobicContact CE1-CG 3.94Å; Y70-K98 HydrophobicContact CE2-CB 4.43Å; Y70-K98 HydrophobicContact CE2-CG 3.97Å; Y70-K98 HydrophobicContact CG-CB 4.23Å; Y70-K98 HydrophobicContact CG-CD 4.4Å; Y70-K98 HydrophobicContact CG-CG 4.3Å; Y90-K98 HydrophobicContact CD2-CD 4.2Å; Y90-K98 HydrophobicContact CG-CD 4.16Å; Y90-K98 VanDerWaalsContact CG-NZ 3.3Å; Y90-K98 PolarHBondContact O-N 3.16Å; K98-D100 PolarHBondContact O-N 3.38Å; K98-D101 WeakPolarHBondContact O-CB 3.41Å; K98-D101 PolarHBondContact O-N 2.9Å; K98-Y104 HydrophobicContact CD-CD1 4.06Å; K98-Y104 HydrophobicContact CD-CE1 3.7Å; K98-Y104 HydrophobicContact CD-CE2 4.23Å; K98-Y104 HydrophobicContact CD-CG 4.46Å; K98-Y104 HydrophobicContact CG-CD1 3.92Å; K98-Y104 HydrophobicContact CG-CD2 4.36Å; K98-Y104 HydrophobicContact CG-CE1 4.1Å; K98-Y104 HydrophobicContact CG-CG 4.05Å; K98-P116 HydrophobicContact CB-CB 4.47Å; K98-P116 HydrophobicContact CD-CB 4.2Å; K98-P116 HydrophobicContact CD-CG 3.8Å; K98-P116 HydrophobicContact CG-CB 4.09Å; K98-P116 HydrophobicContact CG-CG 3.8Å
99	K	97.8	Very high	98.2	Very high	60 Å²	60	65.8 Å²	65.8	26%	0.261	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-69.1	-17.8	177.2	88.8	-162	155.4	46.6	0	113.2	S97 P116 I120	S97-K99 PolarHBondContact O-N 2.83Å; S97-K99 WeakPolarHBondContact OG-CE 3.32Å; S97-K99 VanDerWaalsContact OG-CG 3.23Å; S97-K99 WeakPolarHBondContact OG-CG 3.49Å; S97-K99 PolarHBondContact OG-N 3.25Å; S97-K99 VanDerWaalsContact OG-N 3.17Å; K99-P116 HydrophobicContact CB-CB 4.24Å; K99-I120 HydrophobicContact CB-CD1 4.05Å
100	D	98.2	Very high	98.1	Very high	109 Å²	109	69.8 Å²	69.8	58%	0.583	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-100.3	-3.7	177.8	-56.3	-32.5	0	0	0	111.6	S97 K98 A102	S97-D100 PolarHBondContact O-N 2.87Å; K98-D100 PolarHBondContact O-N 3.38Å; D100-A102 PolarHBondContact O-N 2.86Å
101	D	98.1	Very high	98.1	Very high	49 Å²	49	77.4 Å²	77.4	26%	0.262	39%	0.394	S	S	.	.			trans	-79.4	100.8	171.1	-177.8	-16.6	0	0	0	110.1	Y70 S97 K98 D103 Y104 E105	Y70-D101 VanDerWaalsContact OH-CB 3.24Å; Y70-D101 WeakPolarHBondContact OH-CB 3.43Å; Y70-D101 PolarHBondContact OH-OD2 2.99Å; S97-D101 PolarHBondContact O-N 3.03Å; K98-D101 WeakPolarHBondContact O-CB 3.41Å; K98-D101 PolarHBondContact O-N 2.9Å; D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 3.42Å; D101-D103 PolarHBondContact OD1-N 3.4Å; D101-Y104 VanDerWaalsContact CG-CB 3.48Å; D101-Y104 PolarHBondContact O-N 3.12Å; D101-Y104 PolarHBondContact OD1-N 3.26Å; D101-Y104 WeakPolarHBondContact OD2-CB 3.41Å; D101-E105 VanDerWaalsContact O-CB 3.23Å; D101-E105 WeakPolarHBondContact O-CB 3.29Å; D101-E105 PolarHBondContact O-N 3.31Å
102	A	98.1	Very high	98	Very high	73 Å²	73	78.2 Å²	78.2	60%	0.603	40%	0.401	S	S	*	.	H	α-helix	trans	-62.7	-32.1	-178.6	0	0	0	0	0	113.5	D100 K106	D100-A102 PolarHBondContact O-N 2.86Å; A102-K106 VanDerWaalsContact O-CB 3.27Å; A102-K106 WeakPolarHBondContact O-CB 3.49Å; A102-K106 PolarHBondContact O-N 2.97Å
103	D	97.9	Very high	98	Very high	115 Å²	115	84.2 Å²	84.2	62%	0.615	43%	0.425	S	S	*	.	H	α-helix	trans	-76.4	-43.3	-179.3	-74.4	-24.6	0	0	0	110.3	D101 K106 N107	D101-D103 VanDerWaalsContact C-N 3.28Å; D101-D103 PolarHBondContact O-N 3.42Å; D101-D103 PolarHBondContact OD1-N 3.4Å; D103-K106 PolarHBondContact O-N 2.94Å; D103-N107 VanDerWaalsContact O-CB 3.29Å; D103-N107 WeakPolarHBondContact O-CB 3.28Å; D103-N107 PolarHBondContact O-N 2.82Å; D103-N107 PolarHBondContact O-ND2 3.11Å
104	Y	98	Very high	98	Very high	67 Å²	67	77.6 Å²	77.6	26%	0.263	40%	0.396	S	S	.	.	H	α-helix	trans	-60.7	-49.3	174.2	-167	-74.8	0	0	0	111.2	Y70 K98 D101 K106 N107 M108 P116	Y70-Y104 HydrophobicContact CE2-CD2 4.07Å; Y70-Y104 HydrophobicContact CE2-CE2 4.46Å; K98-Y104 HydrophobicContact CD-CD1 4.06Å; K98-Y104 HydrophobicContact CD-CE1 3.7Å; K98-Y104 HydrophobicContact CD-CE2 4.23Å; K98-Y104 HydrophobicContact CD-CG 4.46Å; K98-Y104 HydrophobicContact CG-CD1 3.92Å; K98-Y104 HydrophobicContact CG-CD2 4.36Å; K98-Y104 HydrophobicContact CG-CE1 4.1Å; K98-Y104 HydrophobicContact CG-CG 4.05Å; D101-Y104 VanDerWaalsContact CG-CB 3.48Å; D101-Y104 PolarHBondContact O-N 3.12Å; D101-Y104 PolarHBondContact OD1-N 3.26Å; D101-Y104 WeakPolarHBondContact OD2-CB 3.41Å; Y104-K106 PolarHBondContact O-N 3.35Å; Y104-N107 PolarHBondContact O-N 3.48Å; Y104-M108 HydrophobicContact CD1-CB 4.36Å; Y104-M108 HydrophobicContact CE1-CB 4.24Å; Y104-M108 HydrophobicContact CE1-SD 3.78Å; Y104-M108 WeakPolarHBondContact O-CB 3.45Å; Y104-M108 PolarHBondContact O-N 3Å; Y104-P116 HydrophobicContact CD1-CG 3.46Å; Y104-P116 VanDerWaalsContact CD1-CG 3.46Å; Y104-P116 HydrophobicContact CE1-CG 3.54Å
105	E	98.2	Very high	98	Very high	22 Å²	22	72 Å²	72	10%	0.103	37%	0.366	C	S	.	.	H	α-helix	trans	-52.7	-52.5	176.9	171.8	70.2	-178.2	0	0	111.4	D101 M108 K109 G115 P116 K117	D101-E105 VanDerWaalsContact O-CB 3.23Å; D101-E105 WeakPolarHBondContact O-CB 3.29Å; D101-E105 PolarHBondContact O-N 3.31Å; E105-M108 PolarHBondContact O-N 2.9Å; E105-K109 HydrophobicContact CG-CD 4.24Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CD 3.41Å; E105-K109 IonicContact OE1-NZ 3.89Å; E105-G115 VanDerWaalsContact OE2-C 3.28Å; E105-G115 VanDerWaalsContact OE2-CA 3.25Å; E105-G115 WeakPolarHBondContact OE2-CA 3.47Å; E105-P116 WeakPolarHBondContact OE2-CD 3.43Å; E105-K117 WeakPolarHBondContact OE1-CB 3.18Å; E105-K117 WeakPolarHBondContact OE2-CB 3.17Å; E105-K117 PolarHBondContact OE2-N 2.77Å
106	K	98.3	Very high	98	Very high	123 Å²	123	69.8 Å²	69.8	54%	0.535	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-51.7	178.8	179.3	-175.9	173.4	-168.3	0	111.4	A102 D103 Y104 M108 K109 E110	A102-K106 VanDerWaalsContact O-CB 3.27Å; A102-K106 WeakPolarHBondContact O-CB 3.49Å; A102-K106 PolarHBondContact O-N 2.97Å; D103-K106 PolarHBondContact O-N 2.94Å; Y104-K106 PolarHBondContact O-N 3.35Å; K106-M108 VanDerWaalsContact C-N 3.33Å; K106-M108 PolarHBondContact O-N 2.75Å; K106-K109 PolarHBondContact O-N 3.37Å; K106-E110 WeakPolarHBondContact CE-OE1 3.27Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.03Å
107	N	97.8	Very high	98	Very high	85 Å²	85	70.2 Å²	70.2	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-36.9	-175.9	-73.3	-36.2	0	0	0	112.6	D103 Y104	D103-N107 VanDerWaalsContact O-CB 3.29Å; D103-N107 WeakPolarHBondContact O-CB 3.28Å; D103-N107 PolarHBondContact O-N 2.82Å; D103-N107 PolarHBondContact O-ND2 3.11Å; Y104-N107 PolarHBondContact O-N 3.48Å
108	M	97.6	Very high	98	Very high	30 Å²	30	72.9 Å²	72.9	15%	0.148	36%	0.357	C	S	.	.	H	α-helix	trans	-69.5	-49	176.5	-168.9	177.2	170.6	0	0	110.4	Y104 E105 K106 E110 K111 T112 T114 P116 Y119 G141 A142	Y104-M108 HydrophobicContact CD1-CB 4.36Å; Y104-M108 HydrophobicContact CE1-CB 4.24Å; Y104-M108 HydrophobicContact CE1-SD 3.78Å; Y104-M108 WeakPolarHBondContact O-CB 3.45Å; Y104-M108 PolarHBondContact O-N 3Å; E105-M108 PolarHBondContact O-N 2.9Å; K106-M108 VanDerWaalsContact C-N 3.33Å; K106-M108 PolarHBondContact O-N 2.75Å; M108-E110 VanDerWaalsContact C-N 3.31Å; M108-E110 PolarHBondContact O-N 3.08Å; M108-K111 PolarHBondContact O-N 2.99Å; M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.45Å; M108-T114 WeakPolarHBondContact CE-O 3.23Å; M108-T114 VanDerWaalsContact CG-O 3.29Å; M108-T114 WeakPolarHBondContact CG-O 3.47Å; M108-P116 HydrophobicContact SD-CG 4.18Å; M108-Y119 HydrophobicContact CE-CD1 4.13Å; M108-Y119 HydrophobicContact CE-CE1 3.83Å; M108-Y119 HydrophobicContact SD-CE1 3.96Å; M108-G141 VanDerWaalsContact CE-O 3.24Å; M108-G141 WeakPolarHBondContact CE-O 3.39Å; M108-A142 HydrophobicContact CE-CB 3.95Å
109	K	97.4	Very high	98	Very high	75 Å²	75	72.6 Å²	72.6	33%	0.326	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-33.5	-178.7	-75.9	-180	74.9	156.8	0	114.2	E105 K106 K111 K113 E118	E105-K109 HydrophobicContact CG-CD 4.24Å; E105-K109 WeakPolarHBondContact O-CB 3.48Å; E105-K109 WeakPolarHBondContact O-CG 3.47Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CD 3.41Å; E105-K109 IonicContact OE1-NZ 3.89Å; K106-K109 PolarHBondContact O-N 3.37Å; K109-K111 PolarHBondContact O-N 3.45Å; K109-K113 VanDerWaalsContact O-CA 3.25Å; K109-K113 WeakPolarHBondContact O-CA 3.32Å; K109-K113 PolarHBondContact O-N 3.25Å; K109-E118 WeakPolarHBondContact CD-OE2 3.26Å; K109-E118 IonicContact NZ-OE1 3.42Å; K109-E118 PolarHBondContact NZ-OE1 2.73Å; K109-E118 IonicContact NZ-OE2 3.52Å; K109-E118 PolarHBondContact NZ-OE2 3.27Å
110	E	98	Very high	98	Very high	113 Å²	113	69.9 Å²	69.9	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-56.2	-40.8	173.7	-77.3	177.6	-173.2	0	0	111.4	K106 M108 K113	K106-E110 WeakPolarHBondContact CE-OE1 3.27Å; K106-E110 WeakPolarHBondContact O-CG 3.27Å; K106-E110 PolarHBondContact O-N 3.03Å; M108-E110 VanDerWaalsContact C-N 3.31Å; M108-E110 PolarHBondContact O-N 3.08Å; E110-K113 PolarHBondContact O-NZ 3.05Å
111	K	97.4	Very high	98.1	Very high	175 Å²	175	67.9 Å²	67.9	76%	0.761	34%	0.337	S	S	*	.	H	α-helix	trans	-87.4	-47.6	-175.2	-62.7	175.5	-175.7	173.4	0	113.5	M108 K109	M108-K111 PolarHBondContact O-N 2.99Å; K109-K111 PolarHBondContact O-N 3.45Å
112	T	97.5	Very high	98.1	Very high	53 Å²	53	70.6 Å²	70.6	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-113.2	-4.1	-167.7	62.8	0	0	0	0	113.8	M108 T114 G141	M108-T112 PolarHBondContact O-N 2.92Å; M108-T112 PolarHBondContact O-OG1 3.45Å; T112-T114 PolarHBondContact O-N 3.45Å; T112-T114 VanDerWaalsContact O-N 3.1Å; T112-T114 PolarHBondContact OG1-O 3.48Å; T112-G141 VanDerWaalsContact CB-O 3.3Å; T112-G141 WeakPolarHBondContact CB-O 3.24Å; T112-G141 PolarHBondContact OG1-O 3.41Å
113	K	97.7	Very high	98.1	Very high	158 Å²	158	67.2 Å²	67.2	69%	0.687	32%	0.319	S	S	*	.	S	Bend	trans	65.2	-0.9	-176.3	-47.1	-53.7	175.9	-158.3	0	115.6	K109 E110	K109-K113 VanDerWaalsContact O-CA 3.25Å; K109-K113 WeakPolarHBondContact O-CA 3.32Å; K109-K113 PolarHBondContact O-N 3.25Å; E110-K113 PolarHBondContact O-NZ 3.05Å
114	T	98.3	Very high	98.2	Very high	22 Å²	22	62.5 Å²	62.5	14%	0.135	29%	0.294	C	S	.	.			trans	-130.3	132.2	179	-57.9	0	0	0	0	109.1	M108 T112 E118 Y119 V139 T140 A142	M108-T114 WeakPolarHBondContact CE-O 3.23Å; M108-T114 VanDerWaalsContact CG-O 3.29Å; M108-T114 WeakPolarHBondContact CG-O 3.47Å; T112-T114 PolarHBondContact O-N 3.45Å; T112-T114 VanDerWaalsContact O-N 3.1Å; T112-T114 PolarHBondContact OG1-O 3.48Å; T114-E118 HydrophobicContact CG2-CB 4.24Å; T114-Y119 HydrophobicContact CG2-CD1 4.34Å; T114-V139 HydrophobicContact CG2-CG1 3.84Å; T114-T140 WeakPolarHBondContact CB-O 3.36Å; T114-T140 PolarHBondContact OG1-O 3.5Å; T114-A142 HydrophobicContact CG2-CB 4.27Å
115	G	98.1	Very high	98.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.305	C	S	.	.			trans	-117.5	173.6	175.1	0	0	0	0	0	112.9	E105 K117 E118 Y119	E105-G115 VanDerWaalsContact OE2-C 3.28Å; E105-G115 VanDerWaalsContact OE2-CA 3.25Å; E105-G115 WeakPolarHBondContact OE2-CA 3.47Å; G115-K117 PolarHBondContact O-N 3.4Å; G115-E118 WeakPolarHBondContact CA-OE2 3.18Å; G115-E118 PolarHBondContact N-OE2 3.03Å; G115-E118 PolarHBondContact O-N 3.05Å; G115-Y119 VanDerWaalsContact C-CD1 3.48Å; G115-Y119 WeakPolarHBondContact O-CD1 3.37Å; G115-Y119 PolarHBondContact O-N 3.22Å; G115-Y119 VanDerWaalsContact O-N 3.11Å
116	P	98.4	Very high	98.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-24.8	178.8	-19.2	31.5	0	0	0	114	K98 K99 Y104 E105 M108 E118 Y119 I120	K98-P116 HydrophobicContact CB-CB 4.47Å; K98-P116 HydrophobicContact CD-CB 4.2Å; K98-P116 HydrophobicContact CD-CG 3.8Å; K98-P116 HydrophobicContact CG-CB 4.09Å; K98-P116 HydrophobicContact CG-CG 3.8Å; K99-P116 HydrophobicContact CB-CB 4.24Å; Y104-P116 HydrophobicContact CD1-CG 3.46Å; Y104-P116 VanDerWaalsContact CD1-CG 3.46Å; Y104-P116 HydrophobicContact CE1-CG 3.54Å; E105-P116 WeakPolarHBondContact OE2-CD 3.43Å; M108-P116 HydrophobicContact SD-CG 4.18Å; P116-E118 PolarHBondContact O-N 3.23Å; P116-Y119 HydrophobicContact CB-CE1 3.73Å; P116-Y119 HydrophobicContact CG-CE1 3.75Å; P116-I120 HydrophobicContact CB-CD1 3.78Å; P116-I120 HydrophobicContact CB-CG1 4.42Å; P116-I120 VanDerWaalsContact O-CB 3.3Å; P116-I120 WeakPolarHBondContact O-CB 3.32Å; P116-I120 WeakPolarHBondContact O-CG1 3.22Å; P116-I120 PolarHBondContact O-N 2.8Å
117	K	98.2	Very high	98.2	Very high	131 Å²	131	58.8 Å²	58.8	57%	0.57	28%	0.282	S	S	*	.	H	α-helix	trans	-67.4	-24.8	174.4	-164.3	170.5	-178.1	170.8	0	113.6	E105 G115 P121	E105-K117 WeakPolarHBondContact OE1-CB 3.18Å; E105-K117 WeakPolarHBondContact OE2-CB 3.17Å; E105-K117 PolarHBondContact OE2-N 2.77Å; G115-K117 PolarHBondContact O-N 3.4Å; K117-P121 WeakPolarHBondContact O-CD 3.41Å; K117-P121 WeakPolarHBondContact O-CG 3.48Å
118	E	98.4	Very high	98.2	Very high	64 Å²	64	58.1 Å²	58.1	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-92.5	-56	174.8	-68.9	85.1	-152.5	0	0	112.2	K109 T114 G115 P116 I120 P121 E122	K109-E118 WeakPolarHBondContact CD-OE2 3.26Å; K109-E118 IonicContact NZ-OE1 3.42Å; K109-E118 PolarHBondContact NZ-OE1 2.73Å; K109-E118 IonicContact NZ-OE2 3.52Å; K109-E118 PolarHBondContact NZ-OE2 3.27Å; T114-E118 HydrophobicContact CG2-CB 4.24Å; G115-E118 WeakPolarHBondContact CA-OE2 3.18Å; G115-E118 PolarHBondContact N-OE2 3.03Å; G115-E118 PolarHBondContact O-N 3.05Å; P116-E118 PolarHBondContact O-N 3.23Å; E118-I120 PolarHBondContact O-N 3.37Å; E118-P121 WeakPolarHBondContact O-CD 3.36Å; E118-E122 WeakPolarHBondContact O-CB 3.1Å; E118-E122 PolarHBondContact O-N 3.13Å
119	Y	98.5	Very high	98.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71.7	-31.3	-168.2	75.9	-108.6	0	0	0	113	Y90 M108 T114 G115 P116 E122 L123 A142 S145	Y90-Y119 HydrophobicContact CE2-CE2 4.07Å; Y90-Y119 WeakPolarHBondContact CE2-OH 3.32Å; M108-Y119 HydrophobicContact CE-CD1 4.13Å; M108-Y119 HydrophobicContact CE-CE1 3.83Å; M108-Y119 HydrophobicContact SD-CE1 3.96Å; T114-Y119 HydrophobicContact CG2-CD1 4.34Å; G115-Y119 VanDerWaalsContact C-CD1 3.48Å; G115-Y119 WeakPolarHBondContact O-CD1 3.37Å; G115-Y119 PolarHBondContact O-N 3.22Å; G115-Y119 VanDerWaalsContact O-N 3.11Å; P116-Y119 HydrophobicContact CB-CE1 3.73Å; P116-Y119 HydrophobicContact CG-CE1 3.75Å; Y119-E122 PolarHBondContact O-N 2.81Å; Y119-L123 HydrophobicContact CD2-CD1 3.89Å; Y119-L123 WeakPolarHBondContact O-CB 3.27Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 3.44Å; Y119-A142 HydrophobicContact CD1-CB 3.46Å; Y119-A142 VanDerWaalsContact CD1-CB 3.46Å; Y119-A142 HydrophobicContact CD2-CB 4.33Å; Y119-A142 HydrophobicContact CE1-CB 4.13Å; Y119-A142 HydrophobicContact CG-CB 3.61Å; Y119-S145 VanDerWaalsContact CE2-CB 3.49Å
120	I	98.8	Very high	98.2	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-50.9	-178.4	-66.4	171.9	0	0	0	111.1	Y88 Y90 K99 P116 E118 E122 N124	Y88-I120 WeakPolarHBondContact O-CG2 3.39Å; Y90-I120 HydrophobicContact CD2-CD1 3.98Å; K99-I120 HydrophobicContact CB-CD1 4.05Å; P116-I120 HydrophobicContact CB-CD1 3.78Å; P116-I120 HydrophobicContact CB-CG1 4.42Å; P116-I120 VanDerWaalsContact O-CB 3.3Å; P116-I120 WeakPolarHBondContact O-CB 3.32Å; P116-I120 WeakPolarHBondContact O-CG1 3.22Å; P116-I120 PolarHBondContact O-N 2.8Å; E118-I120 PolarHBondContact O-N 3.37Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 2.95Å; I120-N124 PolarHBondContact O-N 2.84Å; I120-N124 PolarHBondContact O-ND2 3Å
121	P	98.6	Very high	98.2	Very high	67 Å²	67	53.7 Å²	53.7	44%	0.435	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-38.5	173	-25.9	35.9	0	0	0	113.5	K117 E118 K125	K117-P121 WeakPolarHBondContact O-CD 3.41Å; K117-P121 WeakPolarHBondContact O-CG 3.48Å; E118-P121 WeakPolarHBondContact O-CD 3.36Å; P121-K125 VanDerWaalsContact O-CB 3.27Å; P121-K125 WeakPolarHBondContact O-CB 3.28Å; P121-K125 PolarHBondContact O-N 2.94Å
122	E	98.5	Very high	98.2	Very high	106 Å²	106	45.8 Å²	45.8	50%	0.495	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-48.8	-179.3	-174.4	173.8	158.5	0	0	112.2	E118 Y119 I120 K125 S126 V139	E118-E122 WeakPolarHBondContact O-CB 3.1Å; E118-E122 PolarHBondContact O-N 3.13Å; Y119-E122 PolarHBondContact O-N 2.81Å; I120-E122 VanDerWaalsContact C-N 3.32Å; I120-E122 PolarHBondContact O-N 2.95Å; E122-K125 PolarHBondContact O-N 2.93Å; E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.47Å; E122-S126 PolarHBondContact O-N 2.81Å; E122-V139 HydrophobicContact CG-CG2 4.23Å
123	L	98.8	Very high	98.2	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-45.8	178.9	-71.3	170.1	0	0	0	112.2	Y119 K125 S126 L127 V136 V139 F149	Y119-L123 HydrophobicContact CD2-CD1 3.89Å; Y119-L123 WeakPolarHBondContact O-CB 3.27Å; Y119-L123 WeakPolarHBondContact O-CG 3.47Å; Y119-L123 PolarHBondContact O-N 3.44Å; L123-K125 PolarHBondContact O-N 3.47Å; L123-S126 WeakPolarHBondContact O-CB 3.28Å; L123-S126 PolarHBondContact O-N 2.91Å; L123-L127 PolarHBondContact O-N 2.71Å; L123-V136 HydrophobicContact CD2-CG1 3.71Å; L123-V139 HydrophobicContact CD2-CG2 3.94Å; L123-V139 HydrophobicContact CG-CG2 4.04Å; L123-F149 HydrophobicContact CB-CD1 4.12Å; L123-F149 HydrophobicContact CB-CD2 3.8Å; L123-F149 HydrophobicContact CB-CE1 4.2Å; L123-F149 HydrophobicContact CB-CE2 3.88Å; L123-F149 HydrophobicContact CB-CG 3.93Å; L123-F149 HydrophobicContact CB-CZ 4.08Å; L123-F149 HydrophobicContact CD1-CB 3.88Å; L123-F149 HydrophobicContact CD1-CD2 4.29Å; L123-F149 HydrophobicContact CD1-CG 4.05Å; L123-F149 HydrophobicContact CD2-CD1 4.14Å; L123-F149 HydrophobicContact CD2-CG 4.31Å; L123-F149 HydrophobicContact CG-CG 4.33Å; L123-F149 VanDerWaalsContact O-CZ 3.24Å; L123-F149 WeakPolarHBondContact O-CZ 3.38Å
124	N	98.8	Very high	98	Very high	17 Å²	17	38.1 Å²	38.1	9%	0.091	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-48.7	177.5	-79.5	-49.4	0	0	0	111.6	S86 N87 Y88 I120 S126 L127 E128	S86-N124 WeakPolarHBondContact CB-O 3.39Å; S86-N124 WeakPolarHBondContact CB-OD1 3.12Å; S86-N124 WeakPolarHBondContact O-CB 3.44Å; S86-N124 PolarHBondContact O-OD1 3.49Å; S86-N124 PolarHBondContact OG-OD1 3.01Å; N87-N124 PolarHBondContact N-OD1 3Å; Y88-N124 VanDerWaalsContact CB-OD1 3.32Å; Y88-N124 WeakPolarHBondContact CB-OD1 3.35Å; Y88-N124 PolarHBondContact N-OD1 3.16Å; Y88-N124 PolarHBondContact O-ND2 3.38Å; I120-N124 PolarHBondContact O-N 2.84Å; I120-N124 PolarHBondContact O-ND2 3Å; N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 2.86Å; N124-L127 PolarHBondContact O-N 2.74Å; N124-E128 WeakPolarHBondContact O-CG 3.48Å; N124-E128 PolarHBondContact O-N 2.82Å; N124-E128 VanDerWaalsContact O-N 3.13Å
125	K	98.4	Very high	97.9	Very high	111 Å²	111	39 Å²	39	48%	0.483	20%	0.198	S	C	.	.	H	α-helix	trans	-62.2	-40	176.5	-175	-179.5	179.4	-176	0	111.5	P121 E122 L123 L127 E128 Q129	P121-K125 VanDerWaalsContact O-CB 3.27Å; P121-K125 WeakPolarHBondContact O-CB 3.28Å; P121-K125 PolarHBondContact O-N 2.94Å; E122-K125 PolarHBondContact O-N 2.93Å; L123-K125 PolarHBondContact O-N 3.47Å; K125-L127 PolarHBondContact O-N 2.74Å; K125-E128 PolarHBondContact O-N 2.92Å; K125-Q129 HydrophobicContact CG-CG 4.4Å; K125-Q129 WeakPolarHBondContact O-CB 3.43Å; K125-Q129 VanDerWaalsContact O-CG 3.27Å; K125-Q129 WeakPolarHBondContact O-CG 3.38Å; K125-Q129 PolarHBondContact O-N 3.3Å
126	S	98.3	Very high	97.8	Very high	22 Å²	22	39 Å²	39	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-46.4	178.2	-172.5	0	0	0	0	110.9	E122 L123 N124 E128 Q129 T130	E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.47Å; E122-S126 PolarHBondContact O-N 2.81Å; L123-S126 WeakPolarHBondContact O-CB 3.28Å; L123-S126 PolarHBondContact O-N 2.91Å; N124-S126 VanDerWaalsContact C-N 3.31Å; N124-S126 PolarHBondContact O-N 2.86Å; S126-E128 PolarHBondContact O-N 2.81Å; S126-Q129 PolarHBondContact O-N 2.95Å; S126-Q129 VanDerWaalsContact O-N 3.13Å; S126-T130 WeakPolarHBondContact O-CB 3.37Å; S126-T130 VanDerWaalsContact O-CG2 3.28Å; S126-T130 WeakPolarHBondContact O-CG2 3.36Å; S126-T130 PolarHBondContact O-N 2.72Å; S126-T130 PolarHBondContact O-OG1 2.88Å
127	L	98.7	Very high	97.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-40.7	178.3	-178.2	63.5	0	0	0	112.4	F74 I83 L123 N124 K125 Q129 Q131 P133 V136 F149	F74-L127 HydrophobicContact CZ-CD2 3.86Å; I83-L127 HydrophobicContact CD1-CD1 3.99Å; I83-L127 HydrophobicContact CD1-CG 4.08Å; L123-L127 PolarHBondContact O-N 2.71Å; N124-L127 PolarHBondContact O-N 2.74Å; K125-L127 PolarHBondContact O-N 2.74Å; L127-Q129 PolarHBondContact O-N 3.41Å; L127-Q131 WeakPolarHBondContact O-CA 3.47Å; L127-Q131 PolarHBondContact O-N 3.43Å; L127-P133 HydrophobicContact CD1-CG 3.94Å; L127-V136 HydrophobicContact CB-CG2 4.09Å; L127-V136 HydrophobicContact CD1-CG2 4.17Å; L127-F149 HydrophobicContact CB-CE1 3.9Å; L127-F149 HydrophobicContact CB-CZ 3.64Å; L127-F149 HydrophobicContact CD2-CE1 4.22Å; L127-F149 HydrophobicContact CD2-CZ 3.79Å; L127-F149 HydrophobicContact CG-CZ 4.32Å
128	E	98.4	Very high	97.6	Very high	72 Å²	72	41.1 Å²	41.1	34%	0.336	21%	0.212	S	C	.	.	H	α-helix	trans	-62.1	-31.6	174	-69.6	173.1	-173.6	0	0	112.3	K85 S86 N124 K125 S126 Q131	K85-E128 WeakPolarHBondContact CA-OE1 3.35Å; S86-E128 PolarHBondContact N-OE1 3.23Å; N124-E128 WeakPolarHBondContact O-CG 3.48Å; N124-E128 PolarHBondContact O-N 2.82Å; N124-E128 VanDerWaalsContact O-N 3.13Å; K125-E128 PolarHBondContact O-N 2.92Å; S126-E128 PolarHBondContact O-N 2.81Å; E128-Q131 PolarHBondContact O-NE2 2.82Å
129	Q	97.3	Very high	97.5	Very high	64 Å²	64	38.5 Å²	38.5	30%	0.299	20%	0.2	S	C	.	.	H	α-helix	trans	-83.5	-45.6	178.7	-71.9	177.6	-44.5	0	0	112.6	P45 K125 S126 L127	P45-Q129 WeakPolarHBondContact CG-O 3.29Å; K125-Q129 HydrophobicContact CG-CG 4.4Å; K125-Q129 WeakPolarHBondContact O-CB 3.43Å; K125-Q129 VanDerWaalsContact O-CG 3.27Å; K125-Q129 WeakPolarHBondContact O-CG 3.38Å; K125-Q129 PolarHBondContact O-N 3.3Å; S126-Q129 PolarHBondContact O-N 2.95Å; S126-Q129 VanDerWaalsContact O-N 3.13Å; L127-Q129 PolarHBondContact O-N 3.41Å
130	T	96.9	Very high	97.4	Very high	25 Å²	25	44.2 Å²	44.2	15%	0.153	24%	0.236	C	C	.	.	H	α-helix	trans	-79.4	-25.8	-174.5	64.6	0	0	0	0	112.3	S126 N132 A135	S126-T130 WeakPolarHBondContact O-CB 3.37Å; S126-T130 VanDerWaalsContact O-CG2 3.28Å; S126-T130 WeakPolarHBondContact O-CG2 3.36Å; S126-T130 PolarHBondContact O-N 2.72Å; S126-T130 PolarHBondContact O-OG1 2.88Å; T130-N132 PolarHBondContact O-N 3.29Å; T130-N132 PolarHBondContact OG1-N 2.72Å; T130-N132 PolarHBondContact OG1-O 3.45Å; T130-N132 VanDerWaalsContact OG1-O 3.05Å; T130-A135 HydrophobicContact CG2-CB 4.17Å; T130-A135 WeakPolarHBondContact CG2-O 3.22Å
131	Q	97.9	Very high	97.4	Very high	35 Å²	35	45.2 Å²	45.2	16%	0.164	25%	0.247	C	C	.	.	S	Bend	trans	58.4	12.1	-174.1	-57.8	-73.6	-64.1	0	0	113.6	P45 I83 L127 E128	P45-Q131 HydrophobicContact CB-CB 4.37Å; P45-Q131 HydrophobicContact CB-CG 4.07Å; P45-Q131 HydrophobicContact CG-CG 3.84Å; I83-Q131 PolarHBondContact O-NE2 3.43Å; L127-Q131 WeakPolarHBondContact O-CA 3.47Å; L127-Q131 PolarHBondContact O-N 3.43Å; E128-Q131 PolarHBondContact O-NE2 2.82Å
132	N	97.1	Very high	97.3	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.053	23%	0.228	C	C	.	.			trans	-145.1	115.8	-175.6	-177.1	2.4	0	0	0	109.6	T130 D134 A135 V136 I295	T130-N132 PolarHBondContact O-N 3.29Å; T130-N132 PolarHBondContact OG1-N 2.72Å; T130-N132 PolarHBondContact OG1-O 3.45Å; T130-N132 VanDerWaalsContact OG1-O 3.05Å; N132-D134 PolarHBondContact O-N 2.97Å; N132-D134 PolarHBondContact OD1-N 3.31Å; N132-D134 VanDerWaalsContact OD1-N 3.08Å; N132-A135 HydrophobicContact CB-CB 4.09Å; N132-A135 PolarHBondContact O-N 2.96Å; N132-V136 PolarHBondContact O-N 3.47Å; N132-I295 HydrophobicContact CB-CG2 4.35Å
133	P	97.7	Very high	97.2	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.013	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-49.6	-39.5	173.8	-32.2	39	0	0	0	114.1	L127 A135 V136 S153 Q154 V157	L127-P133 HydrophobicContact CD1-CG 3.94Å; P133-A135 PolarHBondContact O-N 2.98Å; P133-V136 WeakPolarHBondContact O-CB 3.25Å; P133-V136 PolarHBondContact O-N 2.81Å; P133-V136 VanDerWaalsContact O-N 3.12Å; P133-S153 WeakPolarHBondContact CB-OG 3.47Å; P133-Q154 HydrophobicContact CB-CB 4.14Å; P133-Q154 HydrophobicContact CG-CB 4.39Å; P133-V157 HydrophobicContact CG-CB 4.32Å; P133-V157 HydrophobicContact CG-CG2 3.7Å
134	D	94.9	Very high	97	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-71.2	-18.9	-177.1	-65.4	-36.3	0	0	0	112.7	N132 Q154	N132-D134 PolarHBondContact O-N 2.97Å; N132-D134 PolarHBondContact OD1-N 3.31Å; N132-D134 VanDerWaalsContact OD1-N 3.08Å; D134-Q154 PolarHBondContact OD1-NE2 3.39Å; D134-Q154 PolarHBondContact OD2-NE2 3.2Å
135	A	95.5	Very high	97	Very high	39 Å²	39	45.2 Å²	45.2	32%	0.322	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-94.4	0.5	175.8	0	0	0	0	0	113.1	T130 N132 P133 E137	T130-A135 HydrophobicContact CG2-CB 4.17Å; T130-A135 WeakPolarHBondContact CG2-O 3.22Å; N132-A135 HydrophobicContact CB-CB 4.09Å; N132-A135 PolarHBondContact O-N 2.96Å; P133-A135 PolarHBondContact O-N 2.98Å; A135-E137 PolarHBondContact O-N 3.41Å
136	V	96.7	Very high	96.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-76.8	120.1	172.2	176.4	0	0	0	0	108.6	L123 L127 N132 P133 F149 K150	L123-V136 HydrophobicContact CD2-CG1 3.71Å; L127-V136 HydrophobicContact CB-CG2 4.09Å; L127-V136 HydrophobicContact CD1-CG2 4.17Å; N132-V136 PolarHBondContact O-N 3.47Å; P133-V136 WeakPolarHBondContact O-CB 3.25Å; P133-V136 PolarHBondContact O-N 2.81Å; P133-V136 VanDerWaalsContact O-N 3.12Å; V136-F149 HydrophobicContact CB-CE1 4.45Å; V136-F149 HydrophobicContact CG1-CD1 4.06Å; V136-F149 HydrophobicContact CG1-CE1 3.95Å; V136-F149 HydrophobicContact CG2-CE1 4.13Å; V136-K150 HydrophobicContact CB-CG 4.32Å; V136-K150 WeakPolarHBondContact O-CD 3.21Å
137	E	95.1	Very high	96.9	Very high	139 Å²	139	39.4 Å²	39.4	65%	0.65	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-74	149.9	179.5	-67.1	-59.5	148.9	0	0	111.6	A135	A135-E137 PolarHBondContact O-N 3.41Å
138	V	95.5	Very high	96.8	Very high	37 Å²	37	41.8 Å²	41.8	22%	0.224	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-74.2	129.9	174.9	174.4	0	0	0	0	109.6	T140 T143 E147	V138-T140 PolarHBondContact O-N 3.29Å; V138-T143 HydrophobicContact CG1-CG2 3.89Å; V138-E147 VanDerWaalsContact CG2-OE1 3.28Å; V138-E147 WeakPolarHBondContact CG2-OE1 3.47Å
139	V	97.7	Very high	96.8	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-79.9	121.2	176.8	-175.5	0	0	0	0	109	T114 E122 L123 G141 A142 S146	T114-V139 HydrophobicContact CG2-CG1 3.84Å; E122-V139 HydrophobicContact CG-CG2 4.23Å; L123-V139 HydrophobicContact CD2-CG2 3.94Å; L123-V139 HydrophobicContact CG-CG2 4.04Å; V139-G141 PolarHBondContact O-N 2.91Å; V139-A142 HydrophobicContact CB-CB 4.3Å; V139-A142 HydrophobicContact CG1-CB 4.46Å; V139-A142 CarbonylContact O-C 3.51Å; V139-A142 PolarHBondContact O-N 2.85Å; V139-S146 PolarHBondContact N-OG 2.96Å
140	T	96.5	Very high	96.9	Very high	121 Å²	121	35.7 Å²	35.7	74%	0.742	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	129.6	178.6	-65.7	0	0	0	0	110.3	T114 V138 A142	T114-T140 WeakPolarHBondContact CB-O 3.36Å; T114-T140 PolarHBondContact OG1-O 3.5Å; V138-T140 PolarHBondContact O-N 3.29Å; T140-A142 VanDerWaalsContact C-N 3.31Å
141	G	97.3	Very high	97	Very high	24 Å²	24	34.6 Å²	34.6	25%	0.247	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	85	-3.9	-176.3	0	0	0	0	0	115.1	M108 T112 V139	M108-G141 VanDerWaalsContact CE-O 3.24Å; M108-G141 WeakPolarHBondContact CE-O 3.39Å; T112-G141 VanDerWaalsContact CB-O 3.3Å; T112-G141 WeakPolarHBondContact CB-O 3.24Å; T112-G141 PolarHBondContact OG1-O 3.41Å; V139-G141 PolarHBondContact O-N 2.91Å
142	A	97.4	Very high	97	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	19%	0.19	C	C	.	.			trans	-133.8	31.5	177.2	0	0	0	0	0	112.6	M108 T114 Y119 V139 T140 H144 S145 S146	M108-A142 HydrophobicContact CE-CB 3.95Å; T114-A142 HydrophobicContact CG2-CB 4.27Å; Y119-A142 HydrophobicContact CD1-CB 3.46Å; Y119-A142 VanDerWaalsContact CD1-CB 3.46Å; Y119-A142 HydrophobicContact CD2-CB 4.33Å; Y119-A142 HydrophobicContact CE1-CB 4.13Å; Y119-A142 HydrophobicContact CG-CB 3.61Å; V139-A142 HydrophobicContact CB-CB 4.3Å; V139-A142 HydrophobicContact CG1-CB 4.46Å; V139-A142 CarbonylContact O-C 3.51Å; V139-A142 PolarHBondContact O-N 2.85Å; T140-A142 VanDerWaalsContact C-N 3.31Å; A142-H144 PolarHBondContact O-N 3.24Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 2.96Å; A142-S146 PolarHBondContact O-N 2.75Å; A142-S146 PolarHBondContact O-OG 3.3Å
143	T	95.7	Very high	97.1	Very high	68 Å²	68	32.8 Å²	32.8	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-50.8	-51.4	-171.9	-57.4	0	0	0	0	114.1	V138 S145 S146 E147	V138-T143 HydrophobicContact CG1-CG2 3.89Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 3.23Å; T143-S146 WeakPolarHBondContact O-CB 3.41Å; T143-S146 PolarHBondContact O-N 3.12Å; T143-S146 VanDerWaalsContact O-N 3.13Å; T143-E147 HydrophobicContact CG2-CG 4.5Å; T143-E147 WeakPolarHBondContact O-CG 3.29Å; T143-E147 PolarHBondContact O-N 2.72Å
144	H	95.4	Very high	97.1	Very high	103 Å²	103	33 Å²	33	48%	0.477	19%	0.188	S	C	.	.	H	α-helix	trans	-62.9	-35.9	179.9	-69.8	-104.8	0	0	0	112.5	A142 E147 N148 A256 D257	A142-H144 PolarHBondContact O-N 3.24Å; H144-E147 PolarHBondContact O-N 2.97Å; H144-N148 WeakPolarHBondContact O-CB 3.43Å; H144-N148 PolarHBondContact O-N 2.79Å; H144-A256 WeakPolarHBondContact ND1-CB 3.36Å; H144-D257 IonicContact CE1-OD1 2.69Å; H144-D257 PolarHBondContact CE1-OD1 3.27Å
145	S	97.7	Very high	97.3	Very high	15 Å²	15	31.9 Å²	31.9	11%	0.105	18%	0.182	C	C	.	.	H	α-helix	trans	-68.6	-37.9	175.2	-69.8	0	0	0	0	111.9	Y90 Y119 A142 T143 F149	Y90-S145 PolarHBondContact OH-OG 3.1Å; Y90-S145 VanDerWaalsContact OH-OG 3.09Å; Y119-S145 VanDerWaalsContact CE2-CB 3.49Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 2.96Å; T143-S145 VanDerWaalsContact C-N 3.3Å; T143-S145 PolarHBondContact O-N 3.23Å; S145-F149 WeakPolarHBondContact O-CB 3.25Å; S145-F149 PolarHBondContact O-N 3.5Å
146	S	98.1	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-42.2	173.8	-57.1	0	0	0	0	112.5	V139 A142 T143 F149 K150	V139-S146 PolarHBondContact N-OG 2.96Å; A142-S146 PolarHBondContact O-N 2.75Å; A142-S146 PolarHBondContact O-OG 3.3Å; T143-S146 WeakPolarHBondContact O-CB 3.41Å; T143-S146 PolarHBondContact O-N 3.12Å; T143-S146 VanDerWaalsContact O-N 3.13Å; S146-F149 WeakPolarHBondContact O-CB 3.4Å; S146-F149 PolarHBondContact O-N 2.98Å; S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 3.31Å
147	E	96.8	Very high	97.6	Very high	12 Å²	12	30.2 Å²	30.2	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-68	-39.6	177.8	-63	-57.9	169.7	0	0	112.1	V138 T143 H144 F149 K150 N151 H269 Q272	V138-E147 VanDerWaalsContact CG2-OE1 3.28Å; V138-E147 WeakPolarHBondContact CG2-OE1 3.47Å; T143-E147 HydrophobicContact CG2-CG 4.5Å; T143-E147 WeakPolarHBondContact O-CG 3.29Å; T143-E147 PolarHBondContact O-N 2.72Å; H144-E147 PolarHBondContact O-N 2.97Å; E147-F149 VanDerWaalsContact C-N 3.32Å; E147-F149 PolarHBondContact O-N 3.34Å; E147-K150 PolarHBondContact O-N 3.46Å; E147-K150 IonicContact OE2-NZ 2.75Å; E147-N151 PolarHBondContact O-N 3.43Å; E147-H269 IonicContact OE1-CE1 2.74Å; E147-H269 PolarHBondContact OE1-CE1 2.95Å; E147-H269 VanDerWaalsContact OE1-CE1 3.31Å; E147-H269 IonicContact OE1-CG 3.99Å; E147-H269 IonicContact OE1-ND1 3.31Å; E147-H269 PolarHBondContact OE1-ND1 3.16Å; E147-Q272 PolarHBondContact OE1-OE1 2.88Å
148	N	97.9	Very high	97.7	Very high	49 Å²	49	25.1 Å²	25.1	26%	0.262	14%	0.144	S	C	.	.	H	α-helix	trans	-61	-42.6	171.5	-78.3	11.7	0	0	0	111.4	H144 K150 N151 Y152	H144-N148 WeakPolarHBondContact O-CB 3.43Å; H144-N148 PolarHBondContact O-N 2.79Å; N148-K150 VanDerWaalsContact C-N 3.34Å; N148-K150 PolarHBondContact O-N 3.01Å; N148-N151 PolarHBondContact O-N 2.94Å; N148-Y152 HydrophobicContact CB-CE2 4.37Å; N148-Y152 WeakPolarHBondContact O-CB 3.47Å; N148-Y152 WeakPolarHBondContact O-CD2 3.39Å; N148-Y152 VanDerWaalsContact O-CG 3.24Å; N148-Y152 PolarHBondContact O-N 2.98Å
149	F	98.7	Very high	97.9	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-58.8	-44.5	175.1	177.1	-84.9	0	0	0	111.8	F74 Y88 L123 L127 V136 S145 S146 E147 Y152 S153	F74-F149 HydrophobicContact CE1-CD2 4.01Å; F74-F149 AromaticContact CE1-CE2 3.86Å; F74-F149 HydrophobicContact CE1-CE2 3.86Å; F74-F149 HydrophobicContact CE1-CZ 4.34Å; F74-F149 HydrophobicContact CE2-CE2 4.28Å; F74-F149 HydrophobicContact CZ-CD2 4.12Å; F74-F149 AromaticContact CZ-CE2 3.49Å; F74-F149 HydrophobicContact CZ-CE2 3.49Å; F74-F149 VanDerWaalsContact CZ-CE2 3.49Å; F74-F149 AromaticContact CZ-CZ 3.83Å; F74-F149 HydrophobicContact CZ-CZ 3.83Å; Y88-F149 AromaticContact CD1-CD2 3.88Å; Y88-F149 HydrophobicContact CD1-CD2 3.88Å; Y88-F149 AromaticContact CD2-CD2 3.71Å; Y88-F149 HydrophobicContact CD2-CD2 3.71Å; Y88-F149 HydrophobicContact CD2-CE2 4.45Å; Y88-F149 HydrophobicContact CE1-CD2 4.42Å; Y88-F149 HydrophobicContact CE2-CB 4.25Å; Y88-F149 HydrophobicContact CE2-CD2 4.25Å; Y88-F149 AromaticContact CG-CD2 3.48Å; Y88-F149 HydrophobicContact CG-CD2 3.48Å; Y88-F149 VanDerWaalsContact CG-CD2 3.48Å; Y88-F149 HydrophobicContact CG-CE2 4.02Å; L123-F149 HydrophobicContact CB-CD1 4.12Å; L123-F149 HydrophobicContact CB-CD2 3.8Å; L123-F149 HydrophobicContact CB-CE1 4.2Å; L123-F149 HydrophobicContact CB-CE2 3.88Å; L123-F149 HydrophobicContact CB-CG 3.93Å; L123-F149 HydrophobicContact CB-CZ 4.08Å; L123-F149 HydrophobicContact CD1-CB 3.88Å; L123-F149 HydrophobicContact CD1-CD2 4.29Å; L123-F149 HydrophobicContact CD1-CG 4.05Å; L123-F149 HydrophobicContact CD2-CD1 4.14Å; L123-F149 HydrophobicContact CD2-CG 4.31Å; L123-F149 HydrophobicContact CG-CG 4.33Å; L123-F149 VanDerWaalsContact O-CZ 3.24Å; L123-F149 WeakPolarHBondContact O-CZ 3.38Å; L127-F149 HydrophobicContact CB-CE1 3.9Å; L127-F149 HydrophobicContact CB-CZ 3.64Å; L127-F149 HydrophobicContact CD2-CE1 4.22Å; L127-F149 HydrophobicContact CD2-CZ 3.79Å; L127-F149 HydrophobicContact CG-CZ 4.32Å; V136-F149 HydrophobicContact CB-CE1 4.45Å; V136-F149 HydrophobicContact CG1-CD1 4.06Å; V136-F149 HydrophobicContact CG1-CE1 3.95Å; V136-F149 HydrophobicContact CG2-CE1 4.13Å; S145-F149 WeakPolarHBondContact O-CB 3.25Å; S145-F149 PolarHBondContact O-N 3.5Å; S146-F149 WeakPolarHBondContact O-CB 3.4Å; S146-F149 PolarHBondContact O-N 2.98Å; E147-F149 VanDerWaalsContact C-N 3.32Å; E147-F149 PolarHBondContact O-N 3.34Å; F149-Y152 PolarHBondContact O-N 3.4Å; F149-S153 VanDerWaalsContact O-CB 3.26Å; F149-S153 WeakPolarHBondContact O-CB 3.38Å; F149-S153 PolarHBondContact O-N 3.49Å; F149-S153 PolarHBondContact O-OG 3.03Å
150	K	98.2	Very high	97.9	Very high	9 Å²	9	23.5 Å²	23.5	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-45.6	178.6	-71.4	172.8	70.1	-179.5	0	112.1	V136 S146 E147 N148 Y152 S153 Q154	V136-K150 HydrophobicContact CB-CG 4.32Å; V136-K150 WeakPolarHBondContact O-CD 3.21Å; S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 3.31Å; E147-K150 PolarHBondContact O-N 3.46Å; E147-K150 IonicContact OE2-NZ 2.75Å; N148-K150 VanDerWaalsContact C-N 3.34Å; N148-K150 PolarHBondContact O-N 3.01Å; K150-Y152 PolarHBondContact O-N 3.13Å; K150-S153 WeakPolarHBondContact CA-OG 3.39Å; K150-S153 PolarHBondContact O-OG 3.11Å; K150-S153 VanDerWaalsContact O-OG 3.11Å; K150-Q154 VanDerWaalsContact O-CB 3.29Å; K150-Q154 WeakPolarHBondContact O-CB 3.47Å; K150-Q154 PolarHBondContact O-N 3.37Å
151	N	98.4	Very high	98	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	11%	0.105	C	C	.	.	H	α-helix	trans	-54.3	-55.2	173.2	174.2	20.2	0	0	0	111.3	E147 N148 Q154 Q155 T273 A276 Q277 N280	E147-N151 PolarHBondContact O-N 3.43Å; N148-N151 PolarHBondContact O-N 2.94Å; N151-Q154 PolarHBondContact O-N 2.9Å; N151-Q155 PolarHBondContact O-N 3.25Å; N151-Q155 PolarHBondContact OD1-NE2 3.37Å; N151-T273 HydrophobicContact CB-CG2 4.34Å; N151-A276 HydrophobicContact CB-CB 4.1Å; N151-A276 WeakPolarHBondContact ND2-CB 3.45Å; N151-Q277 WeakPolarHBondContact OD1-CG 3.28Å; N151-N280 PolarHBondContact ND2-OD1 3.49Å
152	Y	98.9	Very high	98.1	Very high	6 Å²	6	21.8 Å²	21.8	2%	0.024	12%	0.122	C	C	.	.	H	α-helix	trans	-70.2	-37.7	-174.5	-62.2	-15.6	0	0	0	112.9	L61 E63 V72 Y88 N148 F149 K150 Q154 Q155 L156 I170	L61-Y152 HydrophobicContact CD1-CD1 3.96Å; L61-Y152 HydrophobicContact CD1-CG 3.93Å; L61-Y152 HydrophobicContact CD2-CD1 4.11Å; L61-Y152 HydrophobicContact CD2-CD2 3.66Å; L61-Y152 HydrophobicContact CD2-CE2 4.19Å; L61-Y152 HydrophobicContact CD2-CG 3.63Å; L61-Y152 HydrophobicContact CG-CG 4.47Å; E63-Y152 HydrophobicContact CG-CE2 4.17Å; E63-Y152 WeakPolarHBondContact OE1-CE2 2.76Å; E63-Y152 PolarHBondContact OE1-OH 3.34Å; V72-Y152 HydrophobicContact CB-CD2 4.39Å; V72-Y152 HydrophobicContact CB-CE2 4Å; V72-Y152 HydrophobicContact CG1-CD2 3.87Å; V72-Y152 HydrophobicContact CG1-CE2 4.01Å; V72-Y152 HydrophobicContact CG2-CE2 4.02Å; Y88-Y152 HydrophobicContact CE2-CD2 4.07Å; N148-Y152 HydrophobicContact CB-CE2 4.37Å; N148-Y152 WeakPolarHBondContact O-CB 3.47Å; N148-Y152 WeakPolarHBondContact O-CD2 3.39Å; N148-Y152 VanDerWaalsContact O-CG 3.24Å; N148-Y152 PolarHBondContact O-N 2.98Å; F149-Y152 PolarHBondContact O-N 3.4Å; K150-Y152 PolarHBondContact O-N 3.13Å; Y152-Q154 VanDerWaalsContact C-N 3.31Å; Y152-Q154 PolarHBondContact O-N 3.23Å; Y152-Q155 PolarHBondContact O-N 3Å; Y152-L156 WeakPolarHBondContact O-CG 3.48Å; Y152-L156 PolarHBondContact O-N 3.33Å; Y152-I170 HydrophobicContact CD1-CG1 4.38Å; Y152-I170 HydrophobicContact CE1-CD1 4.46Å; Y152-I170 HydrophobicContact CE1-CG1 4Å; Y152-I170 HydrophobicContact CE1-CG2 4.16Å
153	S	98.8	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.6	-34.4	173.4	54.7	0	0	0	0	111.9	P133 F149 K150 L156 V157	P133-S153 WeakPolarHBondContact CB-OG 3.47Å; F149-S153 VanDerWaalsContact O-CB 3.26Å; F149-S153 WeakPolarHBondContact O-CB 3.38Å; F149-S153 PolarHBondContact O-N 3.49Å; F149-S153 PolarHBondContact O-OG 3.03Å; K150-S153 WeakPolarHBondContact CA-OG 3.39Å; K150-S153 PolarHBondContact O-OG 3.11Å; K150-S153 VanDerWaalsContact O-OG 3.11Å; S153-L156 PolarHBondContact O-N 2.85Å; S153-V157 WeakPolarHBondContact O-CB 3.2Å; S153-V157 WeakPolarHBondContact O-CG2 3.49Å; S153-V157 PolarHBondContact O-N 3.08Å
154	Q	98.5	Very high	98.3	Very high	6 Å²	6	24 Å²	24	3%	0.028	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-38	173.6	-162.9	174.2	47.2	0	0	112.1	P133 D134 K150 N151 Y152 V157 Q158 T273 Y274	P133-Q154 HydrophobicContact CB-CB 4.14Å; P133-Q154 HydrophobicContact CG-CB 4.39Å; D134-Q154 PolarHBondContact OD1-NE2 3.39Å; D134-Q154 PolarHBondContact OD2-NE2 3.2Å; K150-Q154 VanDerWaalsContact O-CB 3.29Å; K150-Q154 WeakPolarHBondContact O-CB 3.47Å; K150-Q154 PolarHBondContact O-N 3.37Å; N151-Q154 PolarHBondContact O-N 2.9Å; Y152-Q154 VanDerWaalsContact C-N 3.31Å; Y152-Q154 PolarHBondContact O-N 3.23Å; Q154-V157 PolarHBondContact O-N 3.42Å; Q154-Q158 VanDerWaalsContact O-CG 3.27Å; Q154-Q158 WeakPolarHBondContact O-CG 3.38Å; Q154-Q158 PolarHBondContact O-N 2.69Å; Q154-Q158 PolarHBondContact O-NE2 3.08Å; Q154-Q158 VanDerWaalsContact O-NE2 3.11Å; Q154-T273 HydrophobicContact CB-CG2 4.45Å; Q154-Y274 VanDerWaalsContact NE2-CE1 3.29Å; Q154-Y274 PolarHBondContact NE2-OH 3.46Å; Q154-Y274 VanDerWaalsContact OE1-CE1 3.29Å
155	Q	98.8	Very high	98.4	Very high	26 Å²	26	23.3 Å²	23.3	12%	0.121	14%	0.141	C	C	.	.	H	α-helix	trans	-66.1	-40.6	173.2	-67.8	-176.3	58.1	0	0	111.9	L61 N151 Y152 Q158 A159 I168 Q277 N280	L61-Q155 HydrophobicContact CD1-CB 4.18Å; N151-Q155 PolarHBondContact O-N 3.25Å; N151-Q155 PolarHBondContact OD1-NE2 3.37Å; Y152-Q155 PolarHBondContact O-N 3Å; Q155-Q158 PolarHBondContact O-N 3.25Å; Q155-A159 PolarHBondContact O-N 2.81Å; Q155-I168 HydrophobicContact CB-CD1 4Å; Q155-Q277 HydrophobicContact CG-CG 4.07Å; Q155-N280 PolarHBondContact NE2-OD1 2.95Å
156	L	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-38.4	174.2	-71	174.7	0	0	0	112.5	L61 F74 M76 Y152 S153 A159 A160 I168	L61-L156 HydrophobicContact CB-CD1 4.37Å; L61-L156 HydrophobicContact CB-CD2 3.84Å; L61-L156 HydrophobicContact CB-CG 4.11Å; F74-L156 HydrophobicContact CB-CD1 4.05Å; F74-L156 HydrophobicContact CD1-CD1 3.53Å; F74-L156 HydrophobicContact CD2-CD1 3.73Å; F74-L156 HydrophobicContact CE1-CD1 3.91Å; F74-L156 HydrophobicContact CE2-CD1 4.02Å; F74-L156 HydrophobicContact CG-CD1 3.47Å; F74-L156 VanDerWaalsContact CG-CD1 3.47Å; F74-L156 HydrophobicContact CZ-CD1 4.13Å; M76-L156 HydrophobicContact CB-CB 4.31Å; M76-L156 HydrophobicContact CB-CD1 3.94Å; M76-L156 VanDerWaalsContact CE-C 3.5Å; M76-L156 HydrophobicContact CE-CB 3.88Å; M76-L156 VanDerWaalsContact CE-O 3.24Å; M76-L156 WeakPolarHBondContact CE-O 3.25Å; M76-L156 HydrophobicContact SD-CB 4.14Å; Y152-L156 WeakPolarHBondContact O-CG 3.48Å; Y152-L156 PolarHBondContact O-N 3.33Å; S153-L156 PolarHBondContact O-N 2.85Å; L156-A159 PolarHBondContact O-N 2.79Å; L156-A160 WeakPolarHBondContact O-CB 3.31Å; L156-A160 PolarHBondContact O-N 2.94Å; L156-I168 HydrophobicContact CD2-CD1 4.37Å
157	V	98.8	Very high	98.5	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.03	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-43	173.6	163.7	0	0	0	0	111.2	L54 M76 I83 P133 S153 Q154 A159 A160 Q161 I295	L54-V157 HydrophobicContact CD2-CG1 4.05Å; M76-V157 HydrophobicContact CE-CG2 4.34Å; M76-V157 HydrophobicContact SD-CG2 4.13Å; I83-V157 HydrophobicContact CD1-CG2 4.15Å; P133-V157 HydrophobicContact CG-CB 4.32Å; P133-V157 HydrophobicContact CG-CG2 3.7Å; S153-V157 WeakPolarHBondContact O-CB 3.2Å; S153-V157 WeakPolarHBondContact O-CG2 3.49Å; S153-V157 PolarHBondContact O-N 3.08Å; Q154-V157 PolarHBondContact O-N 3.42Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.4Å; V157-A160 CarbonylContact O-C 3.54Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 3.36Å; V157-A160 VanDerWaalsContact O-N 3.13Å; V157-Q161 HydrophobicContact CG1-CG 4.4Å; V157-Q161 VanDerWaalsContact O-CG 3.29Å; V157-Q161 WeakPolarHBondContact O-CG 3.2Å; V157-Q161 PolarHBondContact O-N 3.48Å; V157-I295 HydrophobicContact CG1-CD1 3.9Å; V157-I295 HydrophobicContact CG1-CG1 4.49Å
158	Q	98.5	Very high	98.6	Very high	32 Å²	32	33.9 Å²	33.9	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-44.7	174.9	-72.4	168.9	74	0	0	111.5	Q154 Q155 A160 Q161 S162 V292	Q154-Q158 VanDerWaalsContact O-CG 3.27Å; Q154-Q158 WeakPolarHBondContact O-CG 3.38Å; Q154-Q158 PolarHBondContact O-N 2.69Å; Q154-Q158 PolarHBondContact O-NE2 3.08Å; Q154-Q158 VanDerWaalsContact O-NE2 3.11Å; Q155-Q158 PolarHBondContact O-N 3.25Å; Q158-A160 VanDerWaalsContact C-N 3.31Å; Q158-A160 PolarHBondContact O-N 2.9Å; Q158-Q161 PolarHBondContact O-N 2.93Å; Q158-S162 PolarHBondContact O-N 2.92Å; Q158-S162 PolarHBondContact O-OG 3.49Å; Q158-V292 HydrophobicContact CG-CG1 4.49Å
159	A	98.6	Very high	98.6	Very high	11 Å²	11	36.5 Å²	36.5	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-61.5	-38.8	173.8	0	0	0	0	0	112.1	Y59 Q155 L156 V157 S162 G163 D164 I168	Y59-A159 HydrophobicContact CD1-CB 3.96Å; Y59-A159 WeakPolarHBondContact CE1-O 3.16Å; Q155-A159 PolarHBondContact O-N 2.81Å; L156-A159 PolarHBondContact O-N 2.79Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.4Å; A159-S162 PolarHBondContact O-N 2.93Å; A159-S162 PolarHBondContact O-OG 3.26Å; A159-G163 CarbonylContact O-C 3.53Å; A159-G163 WeakPolarHBondContact O-CA 3.41Å; A159-G163 PolarHBondContact O-N 3.41Å; A159-D164 PolarHBondContact O-N 3.41Å; A159-I168 HydrophobicContact CB-CD1 4.14Å
160	A	98.8	Very high	98.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-36.5	175.1	0	0	0	0	0	113.7	L54 K55 Y59 M76 V78 L156 V157 Q158 G163	L54-A160 HydrophobicContact CB-CB 4.37Å; L54-A160 HydrophobicContact CD2-CB 4.13Å; K55-A160 WeakPolarHBondContact CB-O 3.35Å; K55-A160 WeakPolarHBondContact CG-O 3.42Å; K55-A160 PolarHBondContact N-O 2.85Å; Y59-A160 HydrophobicContact CD1-CB 4.31Å; Y59-A160 HydrophobicContact CD2-CB 3.73Å; Y59-A160 VanDerWaalsContact CE1-CA 3.47Å; Y59-A160 HydrophobicContact CE1-CB 4.15Å; Y59-A160 HydrophobicContact CE2-CB 3.51Å; Y59-A160 HydrophobicContact CG-CB 4.13Å; M76-A160 HydrophobicContact CE-CB 3.64Å; V78-A160 HydrophobicContact CG2-CB 4.04Å; L156-A160 WeakPolarHBondContact O-CB 3.31Å; L156-A160 PolarHBondContact O-N 2.94Å; V157-A160 CarbonylContact O-C 3.54Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 3.36Å; V157-A160 VanDerWaalsContact O-N 3.13Å; Q158-A160 VanDerWaalsContact C-N 3.31Å; Q158-A160 PolarHBondContact O-N 2.9Å; A160-G163 PolarHBondContact O-N 3.01Å
161	Q	98.7	Very high	98.6	Very high	23 Å²	23	38.6 Å²	38.6	11%	0.107	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-35.8	175.5	-70.3	171.7	-42.6	0	0	111.9	G52 L54 V157 Q158 D293	G52-Q161 PolarHBondContact O-NE2 3.21Å; L54-Q161 HydrophobicContact CD2-CG 3.74Å; V157-Q161 HydrophobicContact CG1-CG 4.4Å; V157-Q161 VanDerWaalsContact O-CG 3.29Å; V157-Q161 WeakPolarHBondContact O-CG 3.2Å; V157-Q161 PolarHBondContact O-N 3.48Å; Q158-Q161 PolarHBondContact O-N 2.93Å; Q161-D293 PolarHBondContact NE2-O 3.33Å; Q161-D293 PolarHBondContact OE1-O 3Å
162	S	98.1	Very high	98.6	Very high	86 Å²	86	39.3 Å²	39.3	60%	0.601	22%	0.217	S	C	*	.	H	α-helix	trans	-80.8	-20.3	175.7	70	0	0	0	0	113.5	Q158 A159 D164	Q158-S162 PolarHBondContact O-N 2.92Å; Q158-S162 PolarHBondContact O-OG 3.49Å; A159-S162 PolarHBondContact O-N 2.93Å; A159-S162 PolarHBondContact O-OG 3.26Å; S162-D164 VanDerWaalsContact C-N 3.32Å; S162-D164 WeakPolarHBondContact OG-CB 3.38Å; S162-D164 PolarHBondContact OG-N 3.3Å
163	G	98.5	Very high	98.4	Very high	34 Å²	34	42.4 Å²	42.4	35%	0.351	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	15.8	-172.1	0	0	0	0	0	113.8	A159 A160 T165	A159-G163 CarbonylContact O-C 3.53Å; A159-G163 WeakPolarHBondContact O-CA 3.41Å; A159-G163 PolarHBondContact O-N 3.41Å; A160-G163 PolarHBondContact O-N 3.01Å; G163-T165 PolarHBondContact O-N 2.77Å
164	D	98.4	Very high	98.4	Very high	86 Å²	86	43.5 Å²	43.5	46%	0.46	26%	0.26	S	S	.	.			trans	-80.7	107.6	178.2	-171.4	-3.2	0	0	0	110.8	Y59 A159 S162 K166	Y59-D164 VanDerWaalsContact CD1-O 3.24Å; Y59-D164 WeakPolarHBondContact CD1-O 3.44Å; Y59-D164 WeakPolarHBondContact CE1-O 3.31Å; A159-D164 PolarHBondContact O-N 3.41Å; S162-D164 VanDerWaalsContact C-N 3.32Å; S162-D164 WeakPolarHBondContact OG-CB 3.38Å; S162-D164 PolarHBondContact OG-N 3.3Å; D164-K166 VanDerWaalsContact C-N 3.33Å; D164-K166 WeakPolarHBondContact OD1-CB 3.42Å; D164-K166 PolarHBondContact OD1-N 3.05Å
165	T	98.5	Very high	98.4	Very high	87 Å²	87	49.5 Å²	49.5	53%	0.534	29%	0.293	S	S	.	.			trans	-91.2	7.8	179.7	62.2	0	0	0	0	113.2	Y59 G163	Y59-T165 HydrophobicContact CE1-CG2 3.99Å; G163-T165 PolarHBondContact O-N 2.77Å
166	K	98.5	Very high	98.4	Very high	159 Å²	159	49.7 Å²	49.7	69%	0.691	29%	0.294	S	S	*	.	S	Bend	trans	-64.2	136	174.7	-173.7	178.4	176.5	-178.6	0	109.5	D164 I168	D164-K166 VanDerWaalsContact C-N 3.33Å; D164-K166 WeakPolarHBondContact OD1-CB 3.42Å; D164-K166 PolarHBondContact OD1-N 3.05Å; K166-I168 PolarHBondContact O-N 2.78Å
167	T	98.7	Very high	98.4	Very high	52 Å²	52	54 Å²	54	32%	0.319	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-58.7	124.8	172.5	-56.3	0	0	0	0	109.8	K60 E62	K60-T167 HydrophobicContact CB-CG2 4.1Å; K60-T167 WeakPolarHBondContact O-CA 3.35Å; E62-T167 HydrophobicContact CG-CG2 3.99Å
168	I	98.7	Very high	98.4	Very high	39 Å²	39	58.5 Å²	58.5	20%	0.2	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	117.7	171.8	-54.7	174.9	0	0	0	107.4	K60 L61 E62 Q155 L156 A159 K166 I170	K60-I168 PolarHBondContact O-N 2.82Å; L61-I168 CarbonylContact C-O 3.54Å; L61-I168 VanDerWaalsContact CA-O 3.24Å; L61-I168 WeakPolarHBondContact CA-O 3.36Å; L61-I168 HydrophobicContact CB-CB 4.09Å; L61-I168 HydrophobicContact CD1-CB 4.14Å; L61-I168 HydrophobicContact CD1-CD1 4.43Å; L61-I168 HydrophobicContact CD1-CG2 3.95Å; L61-I168 HydrophobicContact CG-CB 4.09Å; L61-I168 HydrophobicContact CG-CG2 4.23Å; E62-I168 PolarHBondContact N-O 3.47Å; Q155-I168 HydrophobicContact CB-CD1 4Å; L156-I168 HydrophobicContact CD2-CD1 4.37Å; A159-I168 HydrophobicContact CB-CD1 4.14Å; K166-I168 PolarHBondContact O-N 2.78Å; I168-I170 HydrophobicContact CG2-CD1 3.81Å
169	E	98.5	Very high	98.4	Very high	103 Å²	103	58.1 Å²	58.1	48%	0.481	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124.1	175.1	-54.7	-177.8	149.8	0	0	109.8	E62 K64	E62-E169 WeakPolarHBondContact O-CA 3.46Å; K64-E169 WeakPolarHBondContact CE-OE2 3.36Å; K64-E169 HydrophobicContact CG-CB 4.38Å; K64-E169 IonicContact NZ-OE2 2.82Å; K64-E169 PolarHBondContact NZ-OE2 2.8Å
170	I	98.6	Very high	98.4	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.7	176.6	-52.7	-59.2	0	0	0	108.6	L61 E62 E63 K64 Y152 I168 N172 N280	L61-I170 HydrophobicContact CD1-CD1 4.01Å; L61-I170 HydrophobicContact CD1-CG1 3.96Å; L61-I170 HydrophobicContact CD2-CG1 3.84Å; L61-I170 HydrophobicContact CG-CD1 4.37Å; L61-I170 HydrophobicContact CG-CG1 3.87Å; E62-I170 PolarHBondContact O-N 2.72Å; E63-I170 CarbonylContact C-O 3.58Å; E63-I170 WeakPolarHBondContact CA-O 3.5Å; E63-I170 HydrophobicContact CG-CB 4.28Å; K64-I170 PolarHBondContact N-O 3.17Å; Y152-I170 HydrophobicContact CD1-CG1 4.38Å; Y152-I170 HydrophobicContact CE1-CD1 4.46Å; Y152-I170 HydrophobicContact CE1-CG1 4Å; Y152-I170 HydrophobicContact CE1-CG2 4.16Å; I168-I170 HydrophobicContact CG2-CD1 3.81Å; I170-N172 HydrophobicContact CG2-CB 4.01Å; I170-N172 PolarHBondContact O-N 2.81Å; I170-N172 PolarHBondContact O-OD1 3.47Å; I170-N280 HydrophobicContact CD1-CB 4.34Å; I170-N280 HydrophobicContact CG2-CB 4.38Å; I170-N280 WeakPolarHBondContact CG2-ND2 3.16Å
171	D	98.1	Very high	98.4	Very high	49 Å²	49	60.4 Å²	60.4	26%	0.262	35%	0.354	S	S	.	.			trans	-84.3	52.7	176.3	-156.6	3.1	0	0	0	110.9	K64 N65 G173 A174 E283	K64-D171 HydrophobicContact CD-CB 4.21Å; N65-D171 PolarHBondContact ND2-OD1 3.37Å; D171-G173 PolarHBondContact O-N 2.89Å; D171-A174 HydrophobicContact CB-CB 4.25Å; D171-A174 WeakPolarHBondContact O-CB 3.49Å; D171-A174 PolarHBondContact O-N 3.24Å; D171-A174 VanDerWaalsContact O-N 3.07Å; D171-E283 HydrophobicContact CB-CB 4.49Å
172	N	97.8	Very high	98.4	Very high	17 Å²	17	64.2 Å²	64.2	9%	0.091	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	130.1	-171.7	58.9	-54.6	0	0	0	111.9	E63 K64 N65 I170 A174	E63-N172 VanDerWaalsContact CB-OD1 3.26Å; E63-N172 WeakPolarHBondContact CB-OD1 3.37Å; E63-N172 HydrophobicContact CG-CB 4.01Å; E63-N172 PolarHBondContact OE2-ND2 3.01Å; K64-N172 PolarHBondContact N-OD1 3.46Å; N65-N172 VanDerWaalsContact CB-O 3.3Å; N65-N172 WeakPolarHBondContact CB-O 3.49Å; N65-N172 PolarHBondContact N-OD1 2.96Å; N65-N172 PolarHBondContact ND2-O 3.49Å; N65-N172 PolarHBondContact O-ND2 3.29Å; N65-N172 PolarHBondContact O-OD1 2.86Å; I170-N172 HydrophobicContact CG2-CB 4.01Å; I170-N172 PolarHBondContact O-N 2.81Å; I170-N172 PolarHBondContact O-OD1 3.47Å; N172-A174 VanDerWaalsContact C-N 3.25Å; N172-A174 PolarHBondContact O-N 3.41Å
173	G	96.4	Very high	98.5	Very high	71 Å²	71	60.3 Å²	60.3	73%	0.732	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	6.1	179.9	0	0	0	0	0	114.7	D171 E283	D171-G173 PolarHBondContact O-N 2.89Å; G173-E283 PolarHBondContact N-OE1 2.87Å
174	A	98.2	Very high	98.5	Very high	23 Å²	23	61.4 Å²	61.4	19%	0.19	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67	154.1	168.5	0	0	0	0	0	111.2	D171 N172 L176 E283	D171-A174 HydrophobicContact CB-CB 4.25Å; D171-A174 WeakPolarHBondContact O-CB 3.49Å; D171-A174 PolarHBondContact O-N 3.24Å; D171-A174 VanDerWaalsContact O-N 3.07Å; N172-A174 VanDerWaalsContact C-N 3.25Å; N172-A174 PolarHBondContact O-N 3.41Å; A174-L176 PolarHBondContact O-N 3.08Å; A174-E283 HydrophobicContact CB-CB 4.19Å; A174-E283 HydrophobicContact CB-CG 4.45Å
175	D	98.4	Very high	98.5	Very high	132 Å²	132	58.3 Å²	58.3	71%	0.706	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-59.3	125.8	172.4	-67.1	-34.3	0	0	0	110.2	K177	D175-K177 PolarHBondContact O-N 3.28Å; D175-K177 PolarHBondContact O-NZ 2.91Å
176	L	98.7	Very high	98.5	Very high	29 Å²	29	59.9 Å²	59.9	15%	0.152	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-57.4	128.7	176.6	-54.3	-176.6	0	0	0	109.7	A174 V200 G203 I205 V279 A282 E283	A174-L176 PolarHBondContact O-N 3.08Å; L176-V200 HydrophobicContact CB-CG1 3.67Å; L176-V200 HydrophobicContact CB-CG2 4.32Å; L176-V200 HydrophobicContact CD1-CG1 4.49Å; L176-V200 HydrophobicContact CD1-CG2 4.28Å; L176-G203 WeakPolarHBondContact O-CA 3.17Å; L176-I205 HydrophobicContact CD1-CG1 3.93Å; L176-V279 HydrophobicContact CD2-CG1 4.04Å; L176-A282 HydrophobicContact CB-CB 4.49Å; L176-A282 HydrophobicContact CD2-CB 4.16Å; L176-E283 HydrophobicContact CD2-CG 3.85Å
177	K	98.8	Very high	98.5	Very high	92 Å²	92	53.6 Å²	53.6	40%	0.4	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-80.7	142.8	174.5	-51.8	-51.5	174.1	-138.2	0	109.7	D175 Y181 V200 A282	D175-K177 PolarHBondContact O-N 3.28Å; D175-K177 PolarHBondContact O-NZ 2.91Å; K177-Y181 PolarHBondContact O-OH 3.49Å; K177-V200 WeakPolarHBondContact O-CB 3.29Å; K177-V200 VanDerWaalsContact O-CG1 3.28Å; K177-V200 WeakPolarHBondContact O-CG1 3.35Å; K177-A282 WeakPolarHBondContact CB-O 2.94Å; K177-A282 WeakPolarHBondContact CG-O 3.32Å; K177-A282 PolarHBondContact N-O 3.29Å
178	D	98.8	Very high	98.4	Very high	99 Å²	99	55.7 Å²	55.7	53%	0.529	30%	0.298	S	S	.	.	S	Bend	trans	-66.2	139.1	177.3	-73.4	3.3	0	0	0	110.5	V200 A201 G202 G203	D178-V200 VanDerWaalsContact CA-O 3.3Å; D178-V200 WeakPolarHBondContact CA-O 3.44Å; D178-A201 WeakPolarHBondContact OD1-CA 3.12Å; D178-G202 PolarHBondContact OD1-N 2.97Å; D178-G202 PolarHBondContact OD2-N 3.01Å; D178-G203 PolarHBondContact OD1-N 3.09Å
179	G	98.8	Very high	98.3	Very high	24 Å²	24	56.1 Å²	56.1	25%	0.247	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157	178.7	-177.6	0	0	0	0	0	113.1	T199 V200	G179-T199 CarbonylContact O-C 3.52Å; G179-T199 WeakPolarHBondContact O-CA 3.46Å; G179-V200 PolarHBondContact N-O 3.35Å; G179-V200 PolarHBondContact O-N 2.87Å
180	T	98.9	Very high	98.1	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.2	171	-58.1	0	0	0	0	109	K182 M198	T180-K182 HydrophobicContact CG2-CG 4.31Å; T180-M198 WeakPolarHBondContact CA-O 3.25Å
181	Y	98.9	Very high	98	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	140.3	-179.9	-56.9	-84.9	0	0	0	108.5	K177 S197 M198 V200 A281 A282 D286 T287	K177-Y181 PolarHBondContact O-OH 3.49Å; Y181-S197 CarbonylContact O-C 3.52Å; Y181-S197 WeakPolarHBondContact O-CA 3.41Å; Y181-M198 HydrophobicContact CD2-CE 4.06Å; Y181-M198 HydrophobicContact CG-CE 4.46Å; Y181-M198 PolarHBondContact N-O 3.39Å; Y181-M198 PolarHBondContact O-N 3.32Å; Y181-V200 HydrophobicContact CD2-CG2 4.15Å; Y181-V200 HydrophobicContact CE2-CB 4.17Å; Y181-V200 HydrophobicContact CE2-CG2 3.9Å; Y181-A281 HydrophobicContact CD1-CB 3.91Å; Y181-A282 HydrophobicContact CD1-CB 4.27Å; Y181-A282 HydrophobicContact CD2-CB 3.77Å; Y181-A282 VanDerWaalsContact CE1-CA 3.44Å; Y181-A282 HydrophobicContact CE1-CB 4.01Å; Y181-A282 HydrophobicContact CE2-CB 3.47Å; Y181-A282 VanDerWaalsContact CE2-CB 3.47Å; Y181-A282 HydrophobicContact CG-CB 4.17Å; Y181-D286 VanDerWaalsContact CD1-O 3.29Å; Y181-D286 WeakPolarHBondContact CD1-O 3.42Å; Y181-D286 WeakPolarHBondContact CE1-O 3.29Å; Y181-T287 HydrophobicContact CD1-CG2 4.37Å; Y181-T287 HydrophobicContact CE1-CG2 3.87Å
182	K	98.9	Very high	98	Very high	104 Å²	104	58.3 Å²	58.3	45%	0.452	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.2	-173.3	-60.5	-176.2	-175.3	-68.6	0	110.8	T180 F196 A289 I290	T180-K182 HydrophobicContact CG2-CG 4.31Å; K182-F196 CarbonylContact C-O 3.55Å; K182-F196 WeakPolarHBondContact CA-O 3.35Å; K182-A289 HydrophobicContact CB-CB 4.22Å; K182-A289 WeakPolarHBondContact O-CA 3.27Å; K182-I290 PolarHBondContact O-N 2.92Å
183	L	98.8	Very high	98	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.8	175.2	179.4	152.1	0	0	0	108.7	F196 Y274 Q277 L278 I290 V292	L183-F196 HydrophobicContact CB-CB 4.45Å; L183-F196 PolarHBondContact N-O 3.03Å; L183-F196 PolarHBondContact O-N 3.36Å; L183-Y274 HydrophobicContact CD1-CD1 3.68Å; L183-Y274 HydrophobicContact CD1-CG 4.02Å; L183-Y274 HydrophobicContact CD2-CD1 3.79Å; L183-Y274 HydrophobicContact CD2-CD2 3.98Å; L183-Y274 HydrophobicContact CD2-CE1 4.25Å; L183-Y274 HydrophobicContact CD2-CE2 4.42Å; L183-Y274 HydrophobicContact CD2-CG 3.66Å; L183-Y274 HydrophobicContact CG-CD1 4.42Å; L183-Q277 HydrophobicContact CD1-CB 4.09Å; L183-L278 HydrophobicContact CB-CD2 3.81Å; L183-L278 HydrophobicContact CB-CG 4.21Å; L183-I290 CarbonylContact C-O 3.55Å; L183-I290 VanDerWaalsContact CA-O 3.31Å; L183-I290 WeakPolarHBondContact CA-O 3.3Å; L183-I290 HydrophobicContact CB-CB 4.14Å; L183-I290 HydrophobicContact CD1-CB 4.18Å; L183-I290 HydrophobicContact CD1-CD1 4.41Å; L183-I290 HydrophobicContact CD1-CG2 3.89Å; L183-I290 HydrophobicContact CG-CB 4.12Å; L183-I290 HydrophobicContact CG-CG2 4.12Å; L183-V292 HydrophobicContact CD1-CG2 3.78Å; L183-V292 HydrophobicContact CD2-CG2 3.88Å; L183-V292 HydrophobicContact CG-CG2 3.76Å
184	E	98.5	Very high	98.1	Very high	57 Å²	57	56.6 Å²	56.6	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.1	169.2	63.7	-178.2	150.5	0	0	112	R193 T194 I195 I290 Q291 V292	E184-R193 IonicContact OE2-CZ 2.77Å; E184-R193 VanDerWaalsContact OE2-CZ 3.25Å; E184-R193 IonicContact OE2-NH1 2.81Å; E184-R193 PolarHBondContact OE2-NH1 3.11Å; E184-R193 IonicContact OE2-NH2 3.25Å; E184-R193 PolarHBondContact OE2-NH2 3.43Å; E184-T194 WeakPolarHBondContact CA-O 3.34Å; E184-I195 HydrophobicContact CB-CG2 4.03Å; E184-I290 PolarHBondContact N-O 3Å; E184-Q291 PolarHBondContact OE1-NE2 3.34Å; E184-V292 PolarHBondContact O-N 3.13Å
185	E	98.7	Very high	98.1	Very high	21 Å²	21	58.1 Å²	58.1	10%	0.098	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.5	170.3	-77.4	-177.5	121.8	0	0	110.1	R193 T194 Y274 V292 N294	E185-R193 HydrophobicContact CB-CB 4.04Å; E185-R193 VanDerWaalsContact O-CD 3.27Å; E185-R193 WeakPolarHBondContact O-CD 3.36Å; E185-R193 PolarHBondContact O-NH1 3.27Å; E185-T194 PolarHBondContact N-O 3.26Å; E185-T194 WeakPolarHBondContact OE2-CA 3.45Å; E185-T194 WeakPolarHBondContact OE2-CB 3.24Å; E185-T194 PolarHBondContact OE2-N 2.99Å; E185-T194 PolarHBondContact OE2-OG1 3.45Å; E185-Y274 HydrophobicContact CG-CE2 4.03Å; E185-Y274 WeakPolarHBondContact CG-OH 3.45Å; E185-Y274 PolarHBondContact OE1-OH 2.86Å; E185-V292 CarbonylContact C-O 3.57Å; E185-V292 WeakPolarHBondContact CA-O 3.24Å; E185-V292 HydrophobicContact CG-CB 4.49Å; E185-N294 HydrophobicContact CB-CB 4.47Å; E185-N294 VanDerWaalsContact CD-ND2 3.25Å; E185-N294 HydrophobicContact CG-CB 3.96Å; E185-N294 WeakPolarHBondContact OE1-CB 3.49Å; E185-N294 VanDerWaalsContact OE1-CG 3.25Å; E185-N294 PolarHBondContact OE1-ND2 2.89Å
186	K	98.2	Very high	98.2	Very high	119 Å²	119	52.1 Å²	52.1	52%	0.517	27%	0.271	S	S	.	.	S	Bend	trans	-83.7	-41.3	176	-176	-177.7	174	-175.1	0	112.4	V292 D293 N294	K186-V292 PolarHBondContact N-O 2.94Å; K186-D293 HydrophobicContact CD-CB 4.15Å; K186-D293 WeakPolarHBondContact CD-OD2 3.34Å; K186-D293 IonicContact NZ-OD2 2.81Å; K186-D293 PolarHBondContact NZ-OD2 3.23Å; K186-N294 PolarHBondContact N-OD1 3.44Å
187	N	98.4	Very high	98.2	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.15	27%	0.271	C	S	.	.	S	Bend	trans	-101.3	139.1	-169.7	-53.3	-60.9	0	0	0	111.2	A50 G51 D293 N294 V296	A50-N187 HydrophobicContact CB-CB 3.76Å; G51-N187 WeakPolarHBondContact CA-ND2 3.45Å; G51-N187 PolarHBondContact N-ND2 3.47Å; N187-D293 PolarHBondContact ND2-OD1 3.49Å; N187-N294 WeakPolarHBondContact CA-OD1 3.4Å; N187-N294 VanDerWaalsContact CB-OD1 3.29Å; N187-N294 WeakPolarHBondContact CB-OD1 3.46Å; N187-N294 PolarHBondContact N-OD1 3.45Å; N187-N294 PolarHBondContact ND2-O 2.76Å; N187-N294 PolarHBondContact ND2-OD1 3.47Å; N187-N294 PolarHBondContact O-ND2 3.23Å; N187-N294 PolarHBondContact O-OD1 2.94Å; N187-V296 HydrophobicContact CB-CG2 3.88Å
188	Y	97.9	Very high	98.2	Very high	96 Å²	96	47.5 Å²	47.5	38%	0.376	25%	0.252	S	S	.	.			trans	-81.2	129.3	176.9	-66	-96.3	0	0	0	110.7	G191 Y192 R193 K215	Y188-G191 WeakPolarHBondContact CD1-O 3.26Å; Y188-Y192 CarbonylContact C-O 3.59Å; Y188-Y192 VanDerWaalsContact CA-O 3.32Å; Y188-Y192 WeakPolarHBondContact CA-O 3.38Å; Y188-R193 HydrophobicContact CD1-CB 4.13Å; Y188-R193 HydrophobicContact CD1-CG 4.39Å; Y188-R193 HydrophobicContact CE1-CB 4.21Å; Y188-R193 HydrophobicContact CE1-CG 3.96Å; Y188-R193 HydrophobicContact CG-CB 4.45Å; Y188-K215 HydrophobicContact CE1-CB 4.32Å; Y188-K215 WeakPolarHBondContact OH-CA 3.37Å
189	S	96.1	Very high	98.2	Very high	47 Å²	47	43.8 Å²	43.8	33%	0.329	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-111.5	123.7	168.2	-176.2	0	0	0	0	109.2	G191 Y192	S189-G191 PolarHBondContact O-N 3.06Å; S189-G191 VanDerWaalsContact O-N 3.15Å; S189-Y192 PolarHBondContact N-O 2.97Å; S189-Y192 PolarHBondContact O-N 3.11Å; S189-Y192 VanDerWaalsContact O-N 3.13Å; S189-Y192 VanDerWaalsContact O-O 3.1Å
190	N	93.5	Very high	98.2	Very high	138 Å²	138	42.8 Å²	42.8	74%	0.738	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	34.6	-175.2	-58.7	-57.8	0	0	0	114.1	Y192	N190-Y192 WeakPolarHBondContact O-CD2 3.49Å; N190-Y192 WeakPolarHBondContact O-CE2 3.39Å
191	G	97	Very high	98.2	Very high	44 Å²	44	42.3 Å²	42.3	45%	0.454	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-2.5	177.8	0	0	0	0	0	115.7	Y188 S189 D214	Y188-G191 WeakPolarHBondContact CD1-O 3.26Å; S189-G191 PolarHBondContact O-N 3.06Å; S189-G191 VanDerWaalsContact O-N 3.15Å; G191-D214 WeakPolarHBondContact O-CA 3.37Å
192	Y	98.3	Very high	98.2	Very high	21 Å²	21	45.3 Å²	45.3	8%	0.082	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-129.4	155.3	-178.9	-53.3	-97.3	0	0	0	112	Y188 S189 N190 V213 D214 K220 D223 Y226	Y188-Y192 CarbonylContact C-O 3.59Å; Y188-Y192 VanDerWaalsContact CA-O 3.32Å; Y188-Y192 WeakPolarHBondContact CA-O 3.38Å; S189-Y192 PolarHBondContact N-O 2.97Å; S189-Y192 PolarHBondContact O-N 3.11Å; S189-Y192 VanDerWaalsContact O-N 3.13Å; S189-Y192 VanDerWaalsContact O-O 3.1Å; N190-Y192 WeakPolarHBondContact O-CD2 3.49Å; N190-Y192 WeakPolarHBondContact O-CE2 3.39Å; Y192-V213 CarbonylContact C-O 3.53Å; Y192-V213 VanDerWaalsContact CA-O 3.22Å; Y192-V213 WeakPolarHBondContact CA-O 3.08Å; Y192-D214 HydrophobicContact CD1-CB 4.09Å; Y192-D214 HydrophobicContact CE1-CB 4.08Å; Y192-K220 HydrophobicContact CD1-CB 3.65Å; Y192-K220 HydrophobicContact CD1-CG 4.1Å; Y192-K220 HydrophobicContact CD2-CD 4.36Å; Y192-K220 HydrophobicContact CE1-CB 3.56Å; Y192-K220 HydrophobicContact CE1-CG 3.8Å; Y192-K220 HydrophobicContact CE2-CD 4.39Å; Y192-K220 VanDerWaalsContact CE2-CE 3.46Å; Y192-K220 HydrophobicContact CE2-CG 4.21Å; Y192-K220 HydrophobicContact CG-CB 4.32Å; Y192-K220 HydrophobicContact CG-CD 4.42Å; Y192-K220 HydrophobicContact CG-CG 4.45Å; Y192-D223 PolarHBondContact OH-OD2 2.85Å; Y192-Y226 AromaticContact CE2-CD2 3.91Å; Y192-Y226 HydrophobicContact CE2-CD2 3.91Å; Y192-Y226 HydrophobicContact CE2-CE2 4Å
193	R	98.2	Very high	98.1	Very high	49 Å²	49	42 Å²	42	19%	0.185	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	151.3	169.2	76.1	-171.6	-172.9	101.4	3.7	109.4	E184 E185 Y188 M212 V213	E184-R193 IonicContact OE2-CZ 2.77Å; E184-R193 VanDerWaalsContact OE2-CZ 3.25Å; E184-R193 IonicContact OE2-NH1 2.81Å; E184-R193 PolarHBondContact OE2-NH1 3.11Å; E184-R193 IonicContact OE2-NH2 3.25Å; E184-R193 PolarHBondContact OE2-NH2 3.43Å; E185-R193 HydrophobicContact CB-CB 4.04Å; E185-R193 VanDerWaalsContact O-CD 3.27Å; E185-R193 WeakPolarHBondContact O-CD 3.36Å; E185-R193 PolarHBondContact O-NH1 3.27Å; Y188-R193 HydrophobicContact CD1-CB 4.13Å; Y188-R193 HydrophobicContact CD1-CG 4.39Å; Y188-R193 HydrophobicContact CE1-CB 4.21Å; Y188-R193 HydrophobicContact CE1-CG 3.96Å; Y188-R193 HydrophobicContact CG-CB 4.45Å; R193-M212 CarbonylContact O-C 3.57Å; R193-M212 WeakPolarHBondContact O-CA 3.18Å; R193-V213 HydrophobicContact CG-CG2 4.11Å; R193-V213 PolarHBondContact N-O 3.4Å; R193-V213 PolarHBondContact O-N 3.47Å
194	T	98.7	Very high	98.1	Very high	3 Å²	3	49 Å²	49	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.7	177.5	-56.6	0	0	0	0	110.7	E184 E185 F196 F210 D211 Y274	E184-T194 WeakPolarHBondContact CA-O 3.34Å; E185-T194 PolarHBondContact N-O 3.26Å; E185-T194 WeakPolarHBondContact OE2-CA 3.45Å; E185-T194 WeakPolarHBondContact OE2-CB 3.24Å; E185-T194 PolarHBondContact OE2-N 2.99Å; E185-T194 PolarHBondContact OE2-OG1 3.45Å; T194-F196 HydrophobicContact CG2-CB 4.47Å; T194-F210 HydrophobicContact CG2-CD2 3.66Å; T194-F210 HydrophobicContact CG2-CE2 3.35Å; T194-F210 HydrophobicContact CG2-CZ 4.29Å; T194-D211 WeakPolarHBondContact CA-O 3.38Å; T194-Y274 HydrophobicContact CG2-CD2 3.89Å; T194-Y274 HydrophobicContact CG2-CE2 4.09Å
195	I	98.8	Very high	98.1	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	139	159.5	58.7	171.8	0	0	0	107.4	E184 D211 V213	E184-I195 HydrophobicContact CB-CG2 4.03Å; I195-D211 HydrophobicContact CD1-CB 4.42Å; I195-D211 HydrophobicContact CG1-CB 3.98Å; I195-D211 PolarHBondContact N-O 2.84Å; I195-D211 PolarHBondContact O-N 2.96Å; I195-D211 VanDerWaalsContact O-O 3.07Å; I195-V213 HydrophobicContact CD1-CG1 3.6Å; I195-V213 HydrophobicContact CD1-CG2 4.24Å; I195-V213 HydrophobicContact CG1-CG1 4.02Å; I195-V213 HydrophobicContact CG1-CG2 4.29Å; I195-V213 HydrophobicContact CG2-CG2 3.94Å
196	F	98.9	Very high	98.1	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.026	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	127.5	-177.1	-161.3	172.1	0	0	0	109.8	K182 L183 T194 S208 N209 F210 L249 F271 A275 L278	K182-F196 CarbonylContact C-O 3.55Å; K182-F196 WeakPolarHBondContact CA-O 3.35Å; L183-F196 HydrophobicContact CB-CB 4.45Å; L183-F196 PolarHBondContact N-O 3.03Å; L183-F196 PolarHBondContact O-N 3.36Å; T194-F196 HydrophobicContact CG2-CB 4.47Å; F196-S208 VanDerWaalsContact CE2-OG 3.31Å; F196-S208 WeakPolarHBondContact CE2-OG 3.45Å; F196-N209 WeakPolarHBondContact CA-O 3.36Å; F196-F210 HydrophobicContact CB-CD2 4.36Å; F196-F210 HydrophobicContact CD1-CB 4.23Å; F196-F210 AromaticContact CD1-CD2 3.75Å; F196-F210 HydrophobicContact CD1-CD2 3.75Å; F196-F210 HydrophobicContact CD1-CG 4.49Å; F196-F210 HydrophobicContact CD2-CB 3.7Å; F196-F210 HydrophobicContact CE1-CB 4.2Å; F196-F210 HydrophobicContact CE1-CD2 4.11Å; F196-F210 HydrophobicContact CE2-CB 3.73Å; F196-F210 HydrophobicContact CG-CB 3.99Å; F196-F210 HydrophobicContact CG-CD2 4.02Å; F196-F210 HydrophobicContact CZ-CB 3.98Å; F196-L249 HydrophobicContact CZ-CD2 3.91Å; F196-F271 AromaticContact CE1-CD2 3.81Å; F196-F271 HydrophobicContact CE1-CD2 3.81Å; F196-F271 AromaticContact CE1-CE2 3.79Å; F196-F271 HydrophobicContact CE1-CE2 3.79Å; F196-F271 HydrophobicContact CE1-CG 4.48Å; F196-F271 HydrophobicContact CE1-CZ 4.41Å; F196-F271 HydrophobicContact CE2-CE2 4.1Å; F196-F271 AromaticContact CZ-CD2 3.86Å; F196-F271 HydrophobicContact CZ-CD2 3.86Å; F196-F271 AromaticContact CZ-CE2 3.33Å; F196-F271 HydrophobicContact CZ-CE2 3.33Å; F196-F271 AromaticContact CZ-CZ 3.83Å; F196-F271 HydrophobicContact CZ-CZ 3.83Å; F196-A275 HydrophobicContact CE1-CB 3.71Å; F196-A275 HydrophobicContact CZ-CB 3.97Å; F196-L278 HydrophobicContact CB-CD1 4.13Å; F196-L278 HydrophobicContact CD1-CD1 3.73Å; F196-L278 HydrophobicContact CD2-CD1 3.86Å; F196-L278 HydrophobicContact CE1-CD1 4.1Å; F196-L278 HydrophobicContact CE2-CD1 4.18Å; F196-L278 HydrophobicContact CG-CD1 3.61Å; F196-L278 HydrophobicContact CZ-CD1 4.29Å
197	S	98.8	Very high	98.2	Very high	23 Å²	23	48 Å²	48	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145	161.9	62	0	0	0	0	112.8	Y181 N209	Y181-S197 CarbonylContact O-C 3.52Å; Y181-S197 WeakPolarHBondContact O-CA 3.41Å; S197-N209 PolarHBondContact N-O 2.86Å; S197-N209 PolarHBondContact O-N 2.84Å; S197-N209 WeakPolarHBondContact OG-CB 3.43Å
198	M	98.9	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130	177.5	-179.5	-176.5	76.9	0	0	108.3	T180 Y181 V200 I205 E207 L249 L278 V279 A282	T180-M198 WeakPolarHBondContact CA-O 3.25Å; Y181-M198 HydrophobicContact CD2-CE 4.06Å; Y181-M198 HydrophobicContact CG-CE 4.46Å; Y181-M198 PolarHBondContact N-O 3.39Å; Y181-M198 PolarHBondContact O-N 3.32Å; M198-V200 HydrophobicContact CE-CG2 3.96Å; M198-I205 HydrophobicContact CG-CG1 4.33Å; M198-I205 HydrophobicContact CG-CG2 3.8Å; M198-I205 HydrophobicContact SD-CD1 3.65Å; M198-I205 HydrophobicContact SD-CG1 3.83Å; M198-I205 HydrophobicContact SD-CG2 4.25Å; M198-E207 WeakPolarHBondContact CA-O 3.32Å; M198-L249 HydrophobicContact SD-CD2 4.33Å; M198-L278 HydrophobicContact CB-CB 4.31Å; M198-L278 HydrophobicContact CB-CD1 3.89Å; M198-L278 HydrophobicContact CE-CB 3.84Å; M198-L278 WeakPolarHBondContact CE-O 3.3Å; M198-L278 HydrophobicContact SD-CB 4.16Å; M198-V279 HydrophobicContact CE-CG2 4.2Å; M198-V279 HydrophobicContact SD-CG2 4.11Å; M198-A282 HydrophobicContact CE-CB 3.85Å
199	T	98.9	Very high	98.2	Very high	22 Å²	22	46.3 Å²	46.3	14%	0.135	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.5	174.9	-57.8	0	0	0	0	109.1	G179 T206 E207	G179-T199 CarbonylContact O-C 3.52Å; G179-T199 WeakPolarHBondContact O-CA 3.46Å; T199-T206 PolarHBondContact O-N 2.93Å; T199-T206 PolarHBondContact O-OG1 2.69Å; T199-E207 PolarHBondContact N-O 2.95Å; T199-E207 PolarHBondContact O-N 2.84Å; T199-E207 PolarHBondContact OG1-OE2 2.86Å; T199-E207 VanDerWaalsContact OG1-OE2 3.06Å
200	V	98.9	Very high	98.4	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.018	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.8	171.2	179.2	0	0	0	0	108.6	L176 K177 D178 G179 Y181 M198 K204 A282	L176-V200 HydrophobicContact CB-CG1 3.67Å; L176-V200 HydrophobicContact CB-CG2 4.32Å; L176-V200 HydrophobicContact CD1-CG1 4.49Å; L176-V200 HydrophobicContact CD1-CG2 4.28Å; K177-V200 WeakPolarHBondContact O-CB 3.29Å; K177-V200 VanDerWaalsContact O-CG1 3.28Å; K177-V200 WeakPolarHBondContact O-CG1 3.35Å; D178-V200 VanDerWaalsContact CA-O 3.3Å; D178-V200 WeakPolarHBondContact CA-O 3.44Å; G179-V200 PolarHBondContact N-O 3.35Å; G179-V200 PolarHBondContact O-N 2.87Å; Y181-V200 HydrophobicContact CD2-CG2 4.15Å; Y181-V200 HydrophobicContact CE2-CB 4.17Å; Y181-V200 HydrophobicContact CE2-CG2 3.9Å; M198-V200 HydrophobicContact CE-CG2 3.96Å; V200-K204 CarbonylContact C-O 3.29Å; V200-K204 VanDerWaalsContact CA-O 3.24Å; V200-K204 WeakPolarHBondContact CA-O 3.4Å; V200-A282 HydrophobicContact CG2-CB 4.1Å
201	A	98.7	Very high	98.6	Very high	46 Å²	46	38.9 Å²	38.9	38%	0.38	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.5	172.8	0	0	0	0	0	110.6	D178 G203 K204 T206	D178-A201 WeakPolarHBondContact OD1-CA 3.12Å; A201-G203 PolarHBondContact O-N 2.93Å; A201-K204 PolarHBondContact N-O 3.46Å; A201-K204 PolarHBondContact O-N 3.03Å; A201-T206 HydrophobicContact CB-CG2 3.96Å
202	G	98.3	Very high	98.7	Very high	64 Å²	64	37.4 Å²	37.4	66%	0.66	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	33.8	-172.5	0	0	0	0	0	113	D178 K204	D178-G202 PolarHBondContact OD1-N 2.97Å; D178-G202 PolarHBondContact OD2-N 3.01Å; G202-K204 VanDerWaalsContact C-N 3.27Å; G202-K204 PolarHBondContact O-N 2.95Å
203	G	98.3	Very high	98.7	Very high	34 Å²	34	36.9 Å²	36.9	35%	0.351	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	16.9	-179.1	0	0	0	0	0	115.1	L176 D178 A201	L176-G203 WeakPolarHBondContact O-CA 3.17Å; D178-G203 PolarHBondContact OD1-N 3.09Å; A201-G203 PolarHBondContact O-N 2.93Å
204	K	98.6	Very high	98.7	Very high	152 Å²	152	36 Å²	36	66%	0.661	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.5	179.6	-63	-176.4	-178.2	-173.9	0	111.1	V200 A201 G202 T206	V200-K204 CarbonylContact C-O 3.29Å; V200-K204 VanDerWaalsContact CA-O 3.24Å; V200-K204 WeakPolarHBondContact CA-O 3.4Å; A201-K204 PolarHBondContact N-O 3.46Å; A201-K204 PolarHBondContact O-N 3.03Å; G202-K204 VanDerWaalsContact C-N 3.27Å; G202-K204 PolarHBondContact O-N 2.95Å; K204-T206 PolarHBondContact O-N 3.27Å
205	I	98.8	Very high	98.6	Very high	11 Å²	11	43 Å²	43	6%	0.056	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	113.1	169.3	-57.4	174	0	0	0	108.1	L176 M198 L249 V250 V279	L176-I205 HydrophobicContact CD1-CG1 3.93Å; M198-I205 HydrophobicContact CG-CG1 4.33Å; M198-I205 HydrophobicContact CG-CG2 3.8Å; M198-I205 HydrophobicContact SD-CD1 3.65Å; M198-I205 HydrophobicContact SD-CG1 3.83Å; M198-I205 HydrophobicContact SD-CG2 4.25Å; I205-L249 HydrophobicContact CD1-CD1 3.91Å; I205-L249 HydrophobicContact CD1-CD2 4.43Å; I205-L249 HydrophobicContact CD1-CG 4.02Å; I205-L249 HydrophobicContact CG2-CG 4.31Å; I205-V250 HydrophobicContact CG2-CG2 4.44Å; I205-V279 HydrophobicContact CD1-CG2 4.19Å
206	T	98.7	Very high	98.6	Very high	65 Å²	65	45.1 Å²	45.1	40%	0.399	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-24.6	-179.5	52	0	0	0	0	112.8	T199 A201 K204	T199-T206 PolarHBondContact O-N 2.93Å; T199-T206 PolarHBondContact O-OG1 2.69Å; A201-T206 HydrophobicContact CB-CG2 3.96Å; K204-T206 PolarHBondContact O-N 3.27Å
207	E	98.8	Very high	98.5	Very high	100 Å²	100	47.3 Å²	47.3	47%	0.467	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.2	176.4	-55.1	175.8	170.8	0	0	111	M198 T199	M198-E207 WeakPolarHBondContact CA-O 3.32Å; T199-E207 PolarHBondContact N-O 2.95Å; T199-E207 PolarHBondContact O-N 2.84Å; T199-E207 PolarHBondContact OG1-OE2 2.86Å; T199-E207 VanDerWaalsContact OG1-OE2 3.06Å
208	S	98.8	Very high	98.5	Very high	10 Å²	10	52.7 Å²	52.7	7%	0.07	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	120.4	173	-174.1	0	0	0	0	107.6	F196 N246 L249	F196-S208 VanDerWaalsContact CE2-OG 3.31Å; F196-S208 WeakPolarHBondContact CE2-OG 3.45Å; S208-N246 WeakPolarHBondContact CB-O 3.38Å; S208-N246 WeakPolarHBondContact O-CB 3.44Å; S208-N246 PolarHBondContact O-OD1 3.36Å; S208-N246 VanDerWaalsContact O-OD1 3.08Å; S208-N246 PolarHBondContact OG-OD1 3.43Å; S208-L249 WeakPolarHBondContact OG-CD2 3.22Å
209	N	98.7	Very high	98.5	Very high	79 Å²	79	53.1 Å²	53.1	42%	0.422	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	65.3	-175.8	-60.2	-71.8	0	0	0	109.4	F196 S197 N246	F196-N209 WeakPolarHBondContact CA-O 3.36Å; S197-N209 PolarHBondContact N-O 2.86Å; S197-N209 PolarHBondContact O-N 2.84Å; S197-N209 WeakPolarHBondContact OG-CB 3.43Å; N209-N246 PolarHBondContact N-OD1 3.13Å
210	F	98.8	Very high	98.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	134.6	167	173.7	-100.4	0	0	0	110.1	T194 F196 M212 I242 L245 N246 F271	T194-F210 HydrophobicContact CG2-CD2 3.66Å; T194-F210 HydrophobicContact CG2-CE2 3.35Å; T194-F210 HydrophobicContact CG2-CZ 4.29Å; F196-F210 HydrophobicContact CB-CD2 4.36Å; F196-F210 HydrophobicContact CD1-CB 4.23Å; F196-F210 AromaticContact CD1-CD2 3.75Å; F196-F210 HydrophobicContact CD1-CD2 3.75Å; F196-F210 HydrophobicContact CD1-CG 4.49Å; F196-F210 HydrophobicContact CD2-CB 3.7Å; F196-F210 HydrophobicContact CE1-CB 4.2Å; F196-F210 HydrophobicContact CE1-CD2 4.11Å; F196-F210 HydrophobicContact CE2-CB 3.73Å; F196-F210 HydrophobicContact CG-CB 3.99Å; F196-F210 HydrophobicContact CG-CD2 4.02Å; F196-F210 HydrophobicContact CZ-CB 3.98Å; F210-M212 HydrophobicContact CE1-CE 4.03Å; F210-M212 HydrophobicContact CZ-CE 3.6Å; F210-M212 HydrophobicContact CZ-CG 4.46Å; F210-I242 HydrophobicContact CD1-CG1 4.32Å; F210-I242 HydrophobicContact CD1-CG2 4.46Å; F210-I242 HydrophobicContact CE1-CG1 4.32Å; F210-I242 WeakPolarHBondContact O-CG2 3.17Å; F210-L245 HydrophobicContact CE1-CD1 4.37Å; F210-N246 VanDerWaalsContact CB-OD1 3.26Å; F210-N246 WeakPolarHBondContact CB-OD1 3.43Å; F210-N246 PolarHBondContact N-OD1 3.31Å; F210-N246 PolarHBondContact O-ND2 3.49Å; F210-F271 HydrophobicContact CB-CD2 3.59Å; F210-F271 HydrophobicContact CB-CE2 3.61Å; F210-F271 AromaticContact CD1-CD2 3.81Å; F210-F271 HydrophobicContact CD1-CD2 3.81Å; F210-F271 HydrophobicContact CD2-CB 4.43Å; F210-F271 AromaticContact CD2-CD2 3.72Å; F210-F271 HydrophobicContact CD2-CD2 3.72Å; F210-F271 HydrophobicContact CE1-CB 4.45Å; F210-F271 HydrophobicContact CE1-CD2 4.32Å; F210-F271 HydrophobicContact CE2-CB 4.11Å; F210-F271 HydrophobicContact CE2-CD2 4.22Å; F210-F271 AromaticContact CG-CD2 3.47Å; F210-F271 HydrophobicContact CG-CD2 3.47Å; F210-F271 VanDerWaalsContact CG-CD2 3.47Å; F210-F271 HydrophobicContact CG-CE2 4.04Å; F210-F271 HydrophobicContact CZ-CB 4.12Å; F210-F271 HydrophobicContact CZ-CD2 4.5Å
211	D	98.6	Very high	98.4	Very high	27 Å²	27	56 Å²	56	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.5	174.7	-158.3	-3.1	0	0	0	110.7	T194 I195 S219	T194-D211 WeakPolarHBondContact CA-O 3.38Å; I195-D211 HydrophobicContact CD1-CB 4.42Å; I195-D211 HydrophobicContact CG1-CB 3.98Å; I195-D211 PolarHBondContact N-O 2.84Å; I195-D211 PolarHBondContact O-N 2.96Å; I195-D211 VanDerWaalsContact O-O 3.07Å; D211-S219 PolarHBondContact OD1-OG 3.01Å; D211-S219 WeakPolarHBondContact OD2-CB 3.3Å; D211-S219 PolarHBondContact OD2-OG 3.34Å
212	M	98.5	Very high	98.3	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.064	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.3	171.7	-64.4	179.9	177.8	0	0	108.4	R193 F210 S219 K220 Y241 S267	R193-M212 CarbonylContact O-C 3.57Å; R193-M212 WeakPolarHBondContact O-CA 3.18Å; F210-M212 HydrophobicContact CE1-CE 4.03Å; F210-M212 HydrophobicContact CZ-CE 3.6Å; F210-M212 HydrophobicContact CZ-CG 4.46Å; M212-S219 CarbonylContact O-C 3.56Å; M212-K220 HydrophobicContact CB-CB 3.97Å; M212-K220 HydrophobicContact CB-CD 4.29Å; M212-K220 VanDerWaalsContact O-CB 3.28Å; M212-K220 WeakPolarHBondContact O-CB 2.95Å; M212-K220 PolarHBondContact O-N 3.18Å; M212-K220 HydrophobicContact SD-CD 4.05Å; M212-K220 PolarHBondContact SD-NZ 3Å; M212-Y241 HydrophobicContact CE-CE2 4.49Å; M212-Y241 PolarHBondContact SD-OH 2.88Å; M212-Y241 VanDerWaalsContact SD-OH 3.38Å; M212-S267 WeakPolarHBondContact CE-OG 3.45Å
213	V	98.7	Very high	98.3	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.055	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.4	-174.5	-63.8	0	0	0	0	112.4	Y192 R193 I195 K218	Y192-V213 CarbonylContact C-O 3.53Å; Y192-V213 VanDerWaalsContact CA-O 3.22Å; Y192-V213 WeakPolarHBondContact CA-O 3.08Å; R193-V213 HydrophobicContact CG-CG2 4.11Å; R193-V213 PolarHBondContact N-O 3.4Å; R193-V213 PolarHBondContact O-N 3.47Å; I195-V213 HydrophobicContact CD1-CG1 3.6Å; I195-V213 HydrophobicContact CD1-CG2 4.24Å; I195-V213 HydrophobicContact CG1-CG1 4.02Å; I195-V213 HydrophobicContact CG1-CG2 4.29Å; I195-V213 HydrophobicContact CG2-CG2 3.94Å; V213-K218 CarbonylContact C-O 3.58Å; V213-K218 VanDerWaalsContact CA-O 3.26Å; V213-K218 WeakPolarHBondContact CA-O 3.19Å
214	D	98.4	Very high	98.3	Very high	32 Å²	32	60.5 Å²	60.5	17%	0.171	32%	0.322	C	S	.	.			trans	-77.4	-178.8	172.5	75.4	9.4	0	0	0	112.2	G191 Y192 D216 G217 K218	G191-D214 WeakPolarHBondContact O-CA 3.37Å; Y192-D214 HydrophobicContact CD1-CB 4.09Å; Y192-D214 HydrophobicContact CE1-CB 4.08Å; D214-D216 PolarHBondContact O-N 3.42Å; D214-D216 VanDerWaalsContact O-N 3.16Å; D214-D216 VanDerWaalsContact OD1-CA 3.31Å; D214-D216 WeakPolarHBondContact OD1-CA 3.41Å; D214-D216 WeakPolarHBondContact OD1-CB 3.41Å; D214-D216 PolarHBondContact OD1-N 2.83Å; D214-G217 PolarHBondContact O-N 3.01Å; D214-G217 PolarHBondContact OD1-N 3.29Å; D214-K218 PolarHBondContact N-O 2.84Å; D214-K218 PolarHBondContact OD1-N 3.05Å
215	K	97.8	Very high	98.3	Very high	148 Å²	148	58.8 Å²	58.8	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.5	179.4	65.4	166.8	-174.1	65.2	0	114.7	Y188	Y188-K215 HydrophobicContact CE1-CB 4.32Å; Y188-K215 WeakPolarHBondContact OH-CA 3.37Å
216	D	97.7	Very high	98.2	Very high	101 Å²	101	61.9 Å²	61.9	54%	0.54	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4	179.4	-58.6	-39.2	0	0	0	111.1	D214 K218	D214-D216 PolarHBondContact O-N 3.42Å; D214-D216 VanDerWaalsContact O-N 3.16Å; D214-D216 VanDerWaalsContact OD1-CA 3.31Å; D214-D216 WeakPolarHBondContact OD1-CA 3.41Å; D214-D216 WeakPolarHBondContact OD1-CB 3.41Å; D214-D216 PolarHBondContact OD1-N 2.83Å; D216-K218 VanDerWaalsContact C-N 3.34Å; D216-K218 HydrophobicContact CB-CG 4.48Å
217	G	97.8	Very high	98.2	Very high	53 Å²	53	60 Å²	60	55%	0.546	32%	0.319	S	S	.	.	S	Bend	trans	78.8	12.8	-179.1	0	0	0	0	0	114.1	D214	D214-G217 PolarHBondContact O-N 3.01Å; D214-G217 PolarHBondContact OD1-N 3.29Å
218	K	98.4	Very high	98.1	Very high	135 Å²	135	62.5 Å²	62.5	59%	0.587	33%	0.328	S	S	*	.			trans	-83.1	135.1	178.4	-59.9	176.4	-178.5	171	0	110.2	V213 D214 D216	V213-K218 CarbonylContact C-O 3.58Å; V213-K218 VanDerWaalsContact CA-O 3.26Å; V213-K218 WeakPolarHBondContact CA-O 3.19Å; D214-K218 PolarHBondContact N-O 2.84Å; D214-K218 PolarHBondContact OD1-N 3.05Å; D216-K218 VanDerWaalsContact C-N 3.34Å; D216-K218 HydrophobicContact CB-CG 4.48Å
219	S	98.5	Very high	98.1	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.063	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-68	138.3	178.3	177.8	0	0	0	0	111.9	D211 M212 K221 D222 D223	D211-S219 PolarHBondContact OD1-OG 3.01Å; D211-S219 WeakPolarHBondContact OD2-CB 3.3Å; D211-S219 PolarHBondContact OD2-OG 3.34Å; M212-S219 CarbonylContact O-C 3.56Å; S219-K221 PolarHBondContact O-N 3.29Å; S219-K221 WeakPolarHBondContact OG-CD 3.27Å; S219-K221 WeakPolarHBondContact OG-CE 3.38Å; S219-K221 WeakPolarHBondContact OG-CG 3.48Å; S219-K221 PolarHBondContact OG-N 3.4Å; S219-K221 VanDerWaalsContact OG-N 3.12Å; S219-D222 WeakPolarHBondContact CB-OD2 3.44Å; S219-D222 PolarHBondContact O-N 3.45Å; S219-D223 PolarHBondContact O-N 2.82Å
220	K	98.1	Very high	98	Very high	13 Å²	13	64.1 Å²	64.1	6%	0.057	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58.4	-30.4	170.5	-172	-176.2	-75.5	178.2	0	111.9	Y192 M212 D222 D223 Y226 P238	Y192-K220 HydrophobicContact CD1-CB 3.65Å; Y192-K220 HydrophobicContact CD1-CG 4.1Å; Y192-K220 HydrophobicContact CD2-CD 4.36Å; Y192-K220 HydrophobicContact CE1-CB 3.56Å; Y192-K220 HydrophobicContact CE1-CG 3.8Å; Y192-K220 HydrophobicContact CE2-CD 4.39Å; Y192-K220 VanDerWaalsContact CE2-CE 3.46Å; Y192-K220 HydrophobicContact CE2-CG 4.21Å; Y192-K220 HydrophobicContact CG-CB 4.32Å; Y192-K220 HydrophobicContact CG-CD 4.42Å; Y192-K220 HydrophobicContact CG-CG 4.45Å; M212-K220 HydrophobicContact CB-CB 3.97Å; M212-K220 HydrophobicContact CB-CD 4.29Å; M212-K220 VanDerWaalsContact O-CB 3.28Å; M212-K220 WeakPolarHBondContact O-CB 2.95Å; M212-K220 PolarHBondContact O-N 3.18Å; M212-K220 HydrophobicContact SD-CD 4.05Å; M212-K220 PolarHBondContact SD-NZ 3Å; K220-D222 PolarHBondContact O-N 3.01Å; K220-D223 WeakPolarHBondContact O-CB 3.39Å; K220-D223 PolarHBondContact O-N 2.69Å; K220-D223 VanDerWaalsContact O-N 3.13Å; K220-Y226 HydrophobicContact CD-CD1 4.13Å; K220-Y226 HydrophobicContact CD-CE1 3.86Å; K220-Y226 HydrophobicContact CD-CE2 4.44Å; K220-Y226 HydrophobicContact CG-CD1 4.12Å; K220-Y226 HydrophobicContact CG-CE1 4.36Å; K220-Y226 HydrophobicContact CG-CG 4.23Å; K220-P238 HydrophobicContact CB-CB 4.36Å; K220-P238 HydrophobicContact CD-CB 4.02Å; K220-P238 HydrophobicContact CD-CG 3.71Å; K220-P238 HydrophobicContact CG-CB 3.83Å; K220-P238 HydrophobicContact CG-CG 3.69Å
221	K	97.2	Very high	98	Very high	74 Å²	74	68.4 Å²	68.4	32%	0.322	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-66.8	-19.7	176.9	89.1	-162.5	159.5	41.3	0	113.2	S219 K239 I242	S219-K221 PolarHBondContact O-N 3.29Å; S219-K221 WeakPolarHBondContact OG-CD 3.27Å; S219-K221 WeakPolarHBondContact OG-CE 3.38Å; S219-K221 WeakPolarHBondContact OG-CG 3.48Å; S219-K221 PolarHBondContact OG-N 3.4Å; S219-K221 VanDerWaalsContact OG-N 3.12Å; K221-K239 HydrophobicContact CB-CB 4.5Å; K221-I242 HydrophobicContact CB-CD1 4.11Å
222	D	97.8	Very high	97.9	Very high	110 Å²	110	71.4 Å²	71.4	59%	0.588	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-99.7	-1.6	178.2	-56.4	-37.4	0	0	0	111.7	S219 K220 A224	S219-D222 WeakPolarHBondContact CB-OD2 3.44Å; S219-D222 PolarHBondContact O-N 3.45Å; K220-D222 PolarHBondContact O-N 3.01Å; D222-A224 PolarHBondContact O-N 2.87Å
223	D	97.8	Very high	97.9	Very high	53 Å²	53	79.4 Å²	79.4	28%	0.283	42%	0.417	S	S	.	.			trans	-80.9	97.1	172.4	-170.1	-38.2	0	0	0	110.3	Y192 S219 K220 D225 Y226 E227	Y192-D223 PolarHBondContact OH-OD2 2.85Å; S219-D223 PolarHBondContact O-N 2.82Å; K220-D223 WeakPolarHBondContact O-CB 3.39Å; K220-D223 PolarHBondContact O-N 2.69Å; K220-D223 VanDerWaalsContact O-N 3.13Å; D223-D225 VanDerWaalsContact C-N 3.27Å; D223-D225 PolarHBondContact O-N 3.06Å; D223-D225 PolarHBondContact OD1-N 2.95Å; D223-Y226 PolarHBondContact O-N 2.98Å; D223-Y226 PolarHBondContact OD1-N 2.88Å; D223-E227 WeakPolarHBondContact O-CB 3.36Å; D223-E227 PolarHBondContact O-N 3.27Å
224	A	98	Very high	97.8	Very high	75 Å²	75	81.5 Å²	81.5	62%	0.62	43%	0.432	S	S	*	.	H	α-helix	trans	-61.5	-32.2	-177.4	0	0	0	0	0	113.6	D222 K228	D222-A224 PolarHBondContact O-N 2.87Å; A224-K228 VanDerWaalsContact O-CB 3.23Å; A224-K228 WeakPolarHBondContact O-CB 3.21Å; A224-K228 PolarHBondContact O-N 2.92Å
225	D	97.8	Very high	97.7	Very high	116 Å²	116	82.9 Å²	82.9	62%	0.62	45%	0.453	S	S	*	.	H	α-helix	trans	-76.2	-42.7	-179.9	-77.9	-25.5	0	0	0	110.6	D223 N229	D223-D225 VanDerWaalsContact C-N 3.27Å; D223-D225 PolarHBondContact O-N 3.06Å; D223-D225 PolarHBondContact OD1-N 2.95Å; D225-N229 VanDerWaalsContact O-CB 3.31Å; D225-N229 WeakPolarHBondContact O-CB 3.37Å; D225-N229 VanDerWaalsContact O-CG 3.24Å; D225-N229 PolarHBondContact O-N 2.87Å; D225-N229 PolarHBondContact O-ND2 2.85Å
226	Y	97.5	Very high	97.8	Very high	75 Å²	75	76.5 Å²	76.5	29%	0.294	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-49.7	174.9	-162.7	-71.8	0	0	0	110.8	Y192 K220 D223 K228 N229 M230 P238	Y192-Y226 AromaticContact CE2-CD2 3.91Å; Y192-Y226 HydrophobicContact CE2-CD2 3.91Å; Y192-Y226 HydrophobicContact CE2-CE2 4Å; K220-Y226 HydrophobicContact CD-CD1 4.13Å; K220-Y226 HydrophobicContact CD-CE1 3.86Å; K220-Y226 HydrophobicContact CD-CE2 4.44Å; K220-Y226 HydrophobicContact CG-CD1 4.12Å; K220-Y226 HydrophobicContact CG-CE1 4.36Å; K220-Y226 HydrophobicContact CG-CG 4.23Å; D223-Y226 PolarHBondContact O-N 2.98Å; D223-Y226 PolarHBondContact OD1-N 2.88Å; Y226-K228 PolarHBondContact O-N 2.98Å; Y226-N229 PolarHBondContact O-N 3.39Å; Y226-M230 HydrophobicContact CD1-CB 4.16Å; Y226-M230 HydrophobicContact CE1-CB 4.08Å; Y226-M230 HydrophobicContact CE1-CG 4.42Å; Y226-M230 HydrophobicContact CE1-SD 3.82Å; Y226-M230 WeakPolarHBondContact O-CB 3.35Å; Y226-M230 PolarHBondContact O-N 3.24Å; Y226-P238 HydrophobicContact CD1-CG 3.48Å; Y226-P238 VanDerWaalsContact CD1-CG 3.48Å; Y226-P238 HydrophobicContact CE1-CG 3.71Å
227	E	98.1	Very high	97.8	Very high	27 Å²	27	71.7 Å²	71.7	13%	0.126	40%	0.401	C	S	.	.	H	α-helix	trans	-51.7	-54.1	176.9	174.4	60.9	-149.9	0	0	111.2	D223 N229 M230 K231 G237 P238 K239	D223-E227 WeakPolarHBondContact O-CB 3.36Å; D223-E227 PolarHBondContact O-N 3.27Å; E227-N229 PolarHBondContact O-N 3.06Å; E227-M230 PolarHBondContact O-N 2.78Å; E227-K231 WeakPolarHBondContact O-CB 3.15Å; E227-K231 PolarHBondContact O-N 2.96Å; E227-G237 VanDerWaalsContact OE2-C 3.27Å; E227-G237 VanDerWaalsContact OE2-CA 3.29Å; E227-G237 WeakPolarHBondContact OE2-CA 3.29Å; E227-P238 WeakPolarHBondContact OE2-CD 3.36Å; E227-P238 VanDerWaalsContact OE2-N 3.11Å; E227-K239 WeakPolarHBondContact OE2-CB 3.46Å; E227-K239 PolarHBondContact OE2-N 2.9Å
228	K	98.2	Very high	97.8	Very high	152 Å²	152	69.1 Å²	69.1	66%	0.661	38%	0.375	S	S	*	.	H	α-helix	trans	-58.7	-46.3	178.6	-179.6	-177.5	176.2	-174.8	0	112.3	A224 Y226 A232	A224-K228 VanDerWaalsContact O-CB 3.23Å; A224-K228 WeakPolarHBondContact O-CB 3.21Å; A224-K228 PolarHBondContact O-N 2.92Å; Y226-K228 PolarHBondContact O-N 2.98Å; K228-A232 WeakPolarHBondContact O-CB 3.34Å; K228-A232 PolarHBondContact O-N 3.14Å; K228-A232 VanDerWaalsContact O-N 3.17Å
229	N	97.7	Very high	97.8	Very high	95 Å²	95	68.6 Å²	68.6	51%	0.508	37%	0.372	S	S	.	.	H	α-helix	trans	-71.3	-40	-175.6	-75.5	-45	0	0	0	112.7	D225 Y226 E227	D225-N229 VanDerWaalsContact O-CB 3.31Å; D225-N229 WeakPolarHBondContact O-CB 3.37Å; D225-N229 VanDerWaalsContact O-CG 3.24Å; D225-N229 PolarHBondContact O-N 2.87Å; D225-N229 PolarHBondContact O-ND2 2.85Å; Y226-N229 PolarHBondContact O-N 3.39Å; E227-N229 PolarHBondContact O-N 3.06Å
230	M	97.4	Very high	97.8	Very high	27 Å²	27	70.4 Å²	70.4	13%	0.133	38%	0.38	C	S	.	.	H	α-helix	trans	-67.8	-47.4	177.5	-172.4	-179.9	169.5	0	0	110.2	Y226 E227 A232 K233 S234 V236 P238 Y241 G263 A264	Y226-M230 HydrophobicContact CD1-CB 4.16Å; Y226-M230 HydrophobicContact CE1-CB 4.08Å; Y226-M230 HydrophobicContact CE1-CG 4.42Å; Y226-M230 HydrophobicContact CE1-SD 3.82Å; Y226-M230 WeakPolarHBondContact O-CB 3.35Å; Y226-M230 PolarHBondContact O-N 3.24Å; E227-M230 PolarHBondContact O-N 2.78Å; M230-A232 VanDerWaalsContact C-N 3.29Å; M230-A232 PolarHBondContact O-N 3.28Å; M230-K233 PolarHBondContact O-N 2.87Å; M230-S234 WeakPolarHBondContact O-CB 3.34Å; M230-S234 PolarHBondContact O-N 3.48Å; M230-V236 CarbonylContact C-O 3.57Å; M230-V236 HydrophobicContact CE-CG1 4.21Å; M230-V236 WeakPolarHBondContact CG-O 3.45Å; M230-P238 HydrophobicContact SD-CG 4.04Å; M230-Y241 HydrophobicContact CE-CD1 3.89Å; M230-Y241 HydrophobicContact CE-CE1 3.68Å; M230-Y241 HydrophobicContact SD-CD1 4.38Å; M230-Y241 HydrophobicContact SD-CE1 3.81Å; M230-G263 WeakPolarHBondContact CE-O 3.47Å; M230-A264 HydrophobicContact CE-CB 3.78Å
231	K	97.3	Very high	97.8	Very high	93 Å²	93	69.9 Å²	69.9	40%	0.404	38%	0.378	S	S	.	.	H	α-helix	trans	-60.6	-37.3	-179.5	-166.8	166.4	-170.9	163.1	0	112.9	E227 K233 G235 E240	E227-K231 WeakPolarHBondContact O-CB 3.15Å; E227-K231 PolarHBondContact O-N 2.96Å; K231-K233 VanDerWaalsContact C-N 3.27Å; K231-K233 PolarHBondContact O-N 2.91Å; K231-G235 VanDerWaalsContact O-CA 3.28Å; K231-G235 WeakPolarHBondContact O-CA 3.42Å; K231-G235 PolarHBondContact O-N 3.17Å; K231-E240 IonicContact NZ-OE1 2.61Å; K231-E240 PolarHBondContact NZ-OE1 3.33Å
232	A	97.9	Very high	97.9	Very high	89 Å²	89	66.6 Å²	66.6	74%	0.736	36%	0.364	S	S	*	.	H	α-helix	trans	-64.1	-28.2	175.5	0	0	0	0	0	113.9	K228 M230	K228-A232 WeakPolarHBondContact O-CB 3.34Å; K228-A232 PolarHBondContact O-N 3.14Å; K228-A232 VanDerWaalsContact O-N 3.17Å; M230-A232 VanDerWaalsContact C-N 3.29Å; M230-A232 PolarHBondContact O-N 3.28Å
233	K	97.3	Very high	97.9	Very high	182 Å²	182	67.5 Å²	67.5	79%	0.791	36%	0.364	S	S	*	.	H	α-helix	trans	-98.6	-38.9	-177.4	-67.9	178.9	-178	175.9	0	113.2	M230 K231	M230-K233 PolarHBondContact O-N 2.87Å; K231-K233 VanDerWaalsContact C-N 3.27Å; K231-K233 PolarHBondContact O-N 2.91Å
234	S	96.9	Very high	97.9	Very high	53 Å²	53	69.9 Å²	69.9	37%	0.371	37%	0.374	S	S	.	.	H	α-helix	trans	-110.3	-9.5	-169.3	-58.9	0	0	0	0	113.5	M230 V236 G263	M230-S234 WeakPolarHBondContact O-CB 3.34Å; M230-S234 PolarHBondContact O-N 3.48Å; S234-V236 PolarHBondContact O-N 3.27Å; S234-G263 WeakPolarHBondContact CB-O 3.41Å; S234-G263 PolarHBondContact OG-O 2.85Å
235	G	97.6	Very high	98	Very high	61 Å²	61	66.4 Å²	66.4	63%	0.629	35%	0.345	S	S	*	.	S	Bend	trans	79	-11.5	-176.1	0	0	0	0	0	115	K231	K231-G235 VanDerWaalsContact O-CA 3.28Å; K231-G235 WeakPolarHBondContact O-CA 3.42Å; K231-G235 PolarHBondContact O-N 3.17Å
236	V	98.1	Very high	98	Very high	13 Å²	13	62 Å²	62	8%	0.079	32%	0.321	C	S	.	.			trans	-133.8	146.8	-179.9	70.3	0	0	0	0	109.9	M230 S234 E240 V261 T262 A264	M230-V236 CarbonylContact C-O 3.57Å; M230-V236 HydrophobicContact CE-CG1 4.21Å; M230-V236 WeakPolarHBondContact CG-O 3.45Å; S234-V236 PolarHBondContact O-N 3.27Å; V236-E240 HydrophobicContact CG2-CB 3.83Å; V236-V261 HydrophobicContact CG1-CG1 4.32Å; V236-V261 HydrophobicContact CG2-CG1 3.95Å; V236-T262 WeakPolarHBondContact CG1-O 3.24Å; V236-A264 HydrophobicContact CG1-CB 3.99Å
237	G	98	Very high	98.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.332	C	S	.	.			trans	-115.8	170.9	173.6	0	0	0	0	0	113	E227 K239 E240 Y241	E227-G237 VanDerWaalsContact OE2-C 3.27Å; E227-G237 VanDerWaalsContact OE2-CA 3.29Å; E227-G237 WeakPolarHBondContact OE2-CA 3.29Å; G237-K239 PolarHBondContact O-N 3.27Å; G237-E240 WeakPolarHBondContact CA-OE2 3.46Å; G237-E240 PolarHBondContact N-OE2 3.2Å; G237-E240 PolarHBondContact O-N 3.32Å; G237-E240 VanDerWaalsContact O-N 3.16Å; G237-Y241 WeakPolarHBondContact O-CD1 3.4Å; G237-Y241 PolarHBondContact O-N 2.95Å; G237-Y241 VanDerWaalsContact O-N 3.11Å
238	P	98.2	Very high	98.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-52.1	-33.4	175.1	-26.2	36.2	0	0	0	114.8	K220 Y226 E227 M230 Y241 I242	K220-P238 HydrophobicContact CB-CB 4.36Å; K220-P238 HydrophobicContact CD-CB 4.02Å; K220-P238 HydrophobicContact CD-CG 3.71Å; K220-P238 HydrophobicContact CG-CB 3.83Å; K220-P238 HydrophobicContact CG-CG 3.69Å; Y226-P238 HydrophobicContact CD1-CG 3.48Å; Y226-P238 VanDerWaalsContact CD1-CG 3.48Å; Y226-P238 HydrophobicContact CE1-CG 3.71Å; E227-P238 WeakPolarHBondContact OE2-CD 3.36Å; E227-P238 VanDerWaalsContact OE2-N 3.11Å; M230-P238 HydrophobicContact SD-CG 4.04Å; P238-Y241 HydrophobicContact CB-CE1 3.88Å; P238-Y241 HydrophobicContact CG-CE1 3.9Å; P238-I242 HydrophobicContact CB-CD1 4.22Å; P238-I242 WeakPolarHBondContact O-CB 3.35Å; P238-I242 WeakPolarHBondContact O-CD1 3.41Å; P238-I242 WeakPolarHBondContact O-CG1 3.3Å; P238-I242 PolarHBondContact O-N 3.28Å; P238-I242 VanDerWaalsContact O-N 3.17Å
239	K	98.2	Very high	98.1	Very high	123 Å²	123	56.2 Å²	56.2	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-49.1	176.3	-171.7	175.7	178.2	178.2	0	112.2	K221 E227 G237 E243	K221-K239 HydrophobicContact CB-CB 4.5Å; E227-K239 WeakPolarHBondContact OE2-CB 3.46Å; E227-K239 PolarHBondContact OE2-N 2.9Å; G237-K239 PolarHBondContact O-N 3.27Å; K239-E243 WeakPolarHBondContact O-CB 3.27Å; K239-E243 PolarHBondContact O-N 2.9Å
240	E	98.4	Very high	98.2	Very high	48 Å²	48	54.4 Å²	54.4	22%	0.224	29%	0.293	C	S	.	.	H	α-helix	trans	-74.9	-44.9	-176.5	-62.2	87.1	179.4	0	0	112.9	K231 V236 G237 I242 E243 Q244	K231-E240 IonicContact NZ-OE1 2.61Å; K231-E240 PolarHBondContact NZ-OE1 3.33Å; V236-E240 HydrophobicContact CG2-CB 3.83Å; G237-E240 WeakPolarHBondContact CA-OE2 3.46Å; G237-E240 PolarHBondContact N-OE2 3.2Å; G237-E240 PolarHBondContact O-N 3.32Å; G237-E240 VanDerWaalsContact O-N 3.16Å; E240-I242 PolarHBondContact O-N 3.23Å; E240-E243 PolarHBondContact O-N 2.59Å; E240-Q244 WeakPolarHBondContact O-CB 3.23Å; E240-Q244 VanDerWaalsContact O-CG 3.25Å; E240-Q244 WeakPolarHBondContact O-CG 3.48Å; E240-Q244 PolarHBondContact O-N 2.83Å
241	Y	98.4	Very high	98.3	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-70.1	-35.7	-175.6	77.6	-113.3	0	0	0	111.8	M212 M230 G237 P238 E243 Q244 L245 A264	M212-Y241 HydrophobicContact CE-CE2 4.49Å; M212-Y241 PolarHBondContact SD-OH 2.88Å; M212-Y241 VanDerWaalsContact SD-OH 3.38Å; M230-Y241 HydrophobicContact CE-CD1 3.89Å; M230-Y241 HydrophobicContact CE-CE1 3.68Å; M230-Y241 HydrophobicContact SD-CD1 4.38Å; M230-Y241 HydrophobicContact SD-CE1 3.81Å; G237-Y241 WeakPolarHBondContact O-CD1 3.4Å; G237-Y241 PolarHBondContact O-N 2.95Å; G237-Y241 VanDerWaalsContact O-N 3.11Å; P238-Y241 HydrophobicContact CB-CE1 3.88Å; P238-Y241 HydrophobicContact CG-CE1 3.9Å; Y241-E243 VanDerWaalsContact C-N 3.35Å; Y241-Q244 PolarHBondContact O-N 2.88Å; Y241-L245 HydrophobicContact CD2-CD1 3.92Å; Y241-L245 WeakPolarHBondContact O-CB 3.4Å; Y241-L245 WeakPolarHBondContact O-CG 3.4Å; Y241-L245 PolarHBondContact O-N 2.94Å; Y241-A264 HydrophobicContact CD1-CB 3.48Å; Y241-A264 VanDerWaalsContact CD1-CB 3.48Å; Y241-A264 HydrophobicContact CD2-CB 4.33Å; Y241-A264 HydrophobicContact CE1-CB 4.11Å; Y241-A264 HydrophobicContact CG-CB 3.64Å
242	I	98.7	Very high	98.3	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-41.6	177.3	-68.8	172.6	0	0	0	110.4	F210 K221 P238 E240 N246	F210-I242 HydrophobicContact CD1-CG1 4.32Å; F210-I242 HydrophobicContact CD1-CG2 4.46Å; F210-I242 HydrophobicContact CE1-CG1 4.32Å; F210-I242 WeakPolarHBondContact O-CG2 3.17Å; K221-I242 HydrophobicContact CB-CD1 4.11Å; P238-I242 HydrophobicContact CB-CD1 4.22Å; P238-I242 WeakPolarHBondContact O-CB 3.35Å; P238-I242 WeakPolarHBondContact O-CD1 3.41Å; P238-I242 WeakPolarHBondContact O-CG1 3.3Å; P238-I242 PolarHBondContact O-N 3.28Å; P238-I242 VanDerWaalsContact O-N 3.17Å; E240-I242 PolarHBondContact O-N 3.23Å; I242-N246 WeakPolarHBondContact CG2-ND2 3.45Å; I242-N246 WeakPolarHBondContact O-CB 3.23Å; I242-N246 PolarHBondContact O-N 2.97Å; I242-N246 VanDerWaalsContact O-N 3.16Å; I242-N246 PolarHBondContact O-ND2 3.4Å
243	E	98.6	Very high	98.3	Very high	129 Å²	129	58.4 Å²	58.4	60%	0.603	31%	0.305	S	S	*	.	H	α-helix	trans	-63.6	-46.5	175.5	-173.9	177.9	169.9	0	0	111.6	K239 E240 Y241 L245 K247	K239-E243 WeakPolarHBondContact O-CB 3.27Å; K239-E243 PolarHBondContact O-N 2.9Å; E240-E243 PolarHBondContact O-N 2.59Å; Y241-E243 VanDerWaalsContact C-N 3.35Å; E243-L245 PolarHBondContact O-N 3.29Å; E243-K247 VanDerWaalsContact O-CB 3.23Å; E243-K247 WeakPolarHBondContact O-CB 3.44Å; E243-K247 PolarHBondContact O-N 2.98Å
244	Q	98.6	Very high	98.2	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	28%	0.28	S	S	.	.	H	α-helix	trans	-61.7	-43.7	179.5	-74.3	174.5	34.2	0	0	112.7	E240 Y241 G248 V261	E240-Q244 WeakPolarHBondContact O-CB 3.23Å; E240-Q244 VanDerWaalsContact O-CG 3.25Å; E240-Q244 WeakPolarHBondContact O-CG 3.48Å; E240-Q244 PolarHBondContact O-N 2.83Å; Y241-Q244 PolarHBondContact O-N 2.88Å; Q244-G248 WeakPolarHBondContact O-CA 3.24Å; Q244-G248 PolarHBondContact O-N 3.37Å; Q244-V261 HydrophobicContact CB-CG2 4.14Å
245	L	98.8	Very high	98.2	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-67.1	-48.1	-179.3	-68.9	170.4	0	0	0	111.8	F210 Y241 E243 K247 G248 L249 V258 V261 F271	F210-L245 HydrophobicContact CE1-CD1 4.37Å; Y241-L245 HydrophobicContact CD2-CD1 3.92Å; Y241-L245 WeakPolarHBondContact O-CB 3.4Å; Y241-L245 WeakPolarHBondContact O-CG 3.4Å; Y241-L245 PolarHBondContact O-N 2.94Å; E243-L245 PolarHBondContact O-N 3.29Å; L245-K247 PolarHBondContact O-N 2.95Å; L245-G248 PolarHBondContact O-N 2.84Å; L245-L249 PolarHBondContact O-N 3.05Å; L245-V258 HydrophobicContact CD2-CG1 3.88Å; L245-V261 HydrophobicContact CD2-CG2 4.12Å; L245-V261 HydrophobicContact CG-CG2 4.21Å; L245-F271 HydrophobicContact CB-CD1 4.07Å; L245-F271 HydrophobicContact CB-CD2 3.79Å; L245-F271 HydrophobicContact CB-CE1 4.11Å; L245-F271 HydrophobicContact CB-CE2 3.81Å; L245-F271 HydrophobicContact CB-CG 3.92Å; L245-F271 HydrophobicContact CB-CZ 3.97Å; L245-F271 HydrophobicContact CD1-CB 3.86Å; L245-F271 HydrophobicContact CD1-CD2 4.28Å; L245-F271 HydrophobicContact CD1-CG 4.02Å; L245-F271 HydrophobicContact CD2-CB 4.46Å; L245-F271 HydrophobicContact CD2-CD1 3.98Å; L245-F271 HydrophobicContact CD2-CG 4.21Å; L245-F271 HydrophobicContact CG-CD1 4.44Å; L245-F271 HydrophobicContact CG-CG 4.27Å; L245-F271 WeakPolarHBondContact O-CZ 3.32Å
246	N	98.9	Very high	98.1	Very high	23 Å²	23	48 Å²	48	12%	0.123	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-47.5	178.2	-78.8	-42.7	0	0	0	111.6	S208 N209 F210 I242 G248 L249 V250	S208-N246 WeakPolarHBondContact CB-O 3.38Å; S208-N246 WeakPolarHBondContact O-CB 3.44Å; S208-N246 PolarHBondContact O-OD1 3.36Å; S208-N246 VanDerWaalsContact O-OD1 3.08Å; S208-N246 PolarHBondContact OG-OD1 3.43Å; N209-N246 PolarHBondContact N-OD1 3.13Å; F210-N246 VanDerWaalsContact CB-OD1 3.26Å; F210-N246 WeakPolarHBondContact CB-OD1 3.43Å; F210-N246 PolarHBondContact N-OD1 3.31Å; F210-N246 PolarHBondContact O-ND2 3.49Å; I242-N246 WeakPolarHBondContact CG2-ND2 3.45Å; I242-N246 WeakPolarHBondContact O-CB 3.23Å; I242-N246 PolarHBondContact O-N 2.97Å; I242-N246 VanDerWaalsContact O-N 3.16Å; I242-N246 PolarHBondContact O-ND2 3.4Å; N246-G248 VanDerWaalsContact C-N 3.33Å; N246-G248 PolarHBondContact O-N 2.77Å; N246-L249 PolarHBondContact O-N 2.97Å; N246-V250 PolarHBondContact O-N 2.89Å
247	K	98.7	Very high	98	Very high	121 Å²	121	51.5 Å²	51.5	53%	0.526	27%	0.268	S	S	.	.	H	α-helix	trans	-60.2	-45.2	174.9	-179.7	178.1	171.8	-178.2	0	111.1	E243 L245 L249 V250 E251	E243-K247 VanDerWaalsContact O-CB 3.23Å; E243-K247 WeakPolarHBondContact O-CB 3.44Å; E243-K247 PolarHBondContact O-N 2.98Å; L245-K247 PolarHBondContact O-N 2.95Å; K247-L249 VanDerWaalsContact C-N 3.35Å; K247-L249 PolarHBondContact O-N 3.43Å; K247-V250 PolarHBondContact O-N 2.89Å; K247-E251 VanDerWaalsContact CE-CD 3.46Å; K247-E251 WeakPolarHBondContact CE-OE1 3.41Å; K247-E251 HydrophobicContact CG-CG 4.26Å; K247-E251 IonicContact NZ-OE1 3.04Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.22Å; K247-E251 PolarHBondContact O-N 3.09Å
248	G	98.7	Very high	98	Very high	12 Å²	12	51.7 Å²	51.7	12%	0.124	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-43.6	179.3	0	0	0	0	0	112.6	Q244 L245 N246 E251 K252	Q244-G248 WeakPolarHBondContact O-CA 3.24Å; Q244-G248 PolarHBondContact O-N 3.37Å; L245-G248 PolarHBondContact O-N 2.84Å; N246-G248 VanDerWaalsContact C-N 3.33Å; N246-G248 PolarHBondContact O-N 2.77Å; G248-E251 PolarHBondContact O-N 2.97Å; G248-K252 VanDerWaalsContact O-CB 3.25Å; G248-K252 WeakPolarHBondContact O-CB 3.34Å; G248-K252 WeakPolarHBondContact O-CG 3.4Å; G248-K252 PolarHBondContact O-N 3.47Å
249	L	98.8	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-40.3	178.4	-177	66.2	0	0	0	112.7	F196 M198 I205 S208 L245 N246 K247 G253 P255 V258 F271 A275	F196-L249 HydrophobicContact CZ-CD2 3.91Å; M198-L249 HydrophobicContact SD-CD2 4.33Å; I205-L249 HydrophobicContact CD1-CD1 3.91Å; I205-L249 HydrophobicContact CD1-CD2 4.43Å; I205-L249 HydrophobicContact CD1-CG 4.02Å; I205-L249 HydrophobicContact CG2-CG 4.31Å; S208-L249 WeakPolarHBondContact OG-CD2 3.22Å; L245-L249 PolarHBondContact O-N 3.05Å; N246-L249 PolarHBondContact O-N 2.97Å; K247-L249 VanDerWaalsContact C-N 3.35Å; K247-L249 PolarHBondContact O-N 3.43Å; L249-G253 WeakPolarHBondContact O-CA 3.29Å; L249-G253 PolarHBondContact O-N 3.36Å; L249-P255 HydrophobicContact CD1-CB 4.44Å; L249-P255 HydrophobicContact CD1-CG 3.99Å; L249-V258 HydrophobicContact CB-CG2 4.02Å; L249-V258 HydrophobicContact CD1-CG2 4.12Å; L249-F271 HydrophobicContact CB-CE1 4.01Å; L249-F271 HydrophobicContact CB-CZ 3.61Å; L249-F271 HydrophobicContact CD2-CZ 3.99Å; L249-F271 HydrophobicContact CG-CZ 4.35Å; L249-A275 HydrophobicContact CD1-CB 4.26Å; L249-A275 HydrophobicContact CD2-CB 3.85Å
250	V	98.8	Very high	97.8	Very high	57 Å²	57	55.8 Å²	55.8	35%	0.345	29%	0.293	S	S	.	.	H	α-helix	trans	-65.7	-41	176	177	0	0	0	0	111.1	I205 N246 K247	I205-V250 HydrophobicContact CG2-CG2 4.44Å; N246-V250 PolarHBondContact O-N 2.89Å; K247-V250 PolarHBondContact O-N 2.89Å
251	E	98.5	Very high	97.8	Very high	132 Å²	132	54 Å²	54	62%	0.617	29%	0.285	S	S	*	.	H	α-helix	trans	-72.5	-38.7	-179.3	-73.3	-177.8	163.7	0	0	113.4	K247 G248	K247-E251 VanDerWaalsContact CE-CD 3.46Å; K247-E251 WeakPolarHBondContact CE-OE1 3.41Å; K247-E251 HydrophobicContact CG-CG 4.26Å; K247-E251 IonicContact NZ-OE1 3.04Å; K247-E251 WeakPolarHBondContact O-CB 3.44Å; K247-E251 WeakPolarHBondContact O-CG 3.22Å; K247-E251 PolarHBondContact O-N 3.09Å; G248-E251 PolarHBondContact O-N 2.97Å
252	K	98.2	Very high	97.8	Very high	125 Å²	125	60 Å²	60	54%	0.543	32%	0.322	S	S	.	.	H	α-helix	trans	-87.5	-31.6	-177.1	-61.5	-63.9	-176.4	-179.4	0	112.8	G248 A254 D257	G248-K252 VanDerWaalsContact O-CB 3.25Å; G248-K252 WeakPolarHBondContact O-CB 3.34Å; G248-K252 WeakPolarHBondContact O-CG 3.4Å; G248-K252 PolarHBondContact O-N 3.47Å; K252-A254 PolarHBondContact O-N 2.96Å; K252-A254 VanDerWaalsContact O-N 3.17Å; K252-D257 HydrophobicContact CB-CB 4.02Å; K252-D257 HydrophobicContact CD-CB 4.44Å; K252-D257 HydrophobicContact CG-CB 4.31Å
253	G	97.2	Very high	97.7	Very high	37 Å²	37	61 Å²	61	38%	0.381	33%	0.334	S	S	.	.	S	Bend	trans	70.9	-1.4	-176.7	0	0	0	0	0	114.8	L249	L249-G253 WeakPolarHBondContact O-CA 3.29Å; L249-G253 PolarHBondContact O-N 3.36Å
254	A	96	Very high	97.7	Very high	31 Å²	31	55.1 Å²	55.1	26%	0.256	31%	0.307	S	S	.	.	S	Bend	trans	-136.4	126.7	-179	0	0	0	0	0	110.4	K252 A256 D257	K252-A254 PolarHBondContact O-N 2.96Å; K252-A254 VanDerWaalsContact O-N 3.17Å; A254-A256 VanDerWaalsContact C-N 3.35Å; A254-A256 PolarHBondContact O-N 2.97Å; A254-D257 HydrophobicContact CB-CB 4.25Å; A254-D257 PolarHBondContact O-N 3.27Å; A254-D257 VanDerWaalsContact O-N 3.14Å
255	P	97.7	Very high	97.5	Very high	14 Å²	14	53.1 Å²	53.1	9%	0.091	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-55.3	-44.1	-178.4	-30.1	36.8	0	0	0	114.3	L249 D257 V258 Q272 A275 A276 V279	L249-P255 HydrophobicContact CD1-CB 4.44Å; L249-P255 HydrophobicContact CD1-CG 3.99Å; P255-D257 PolarHBondContact O-N 3.17Å; P255-V258 WeakPolarHBondContact O-CB 3.37Å; P255-V258 PolarHBondContact O-N 3.19Å; P255-Q272 WeakPolarHBondContact O-CG 3.31Å; P255-A275 HydrophobicContact CB-CB 3.79Å; P255-A275 HydrophobicContact CG-CB 3.72Å; P255-A276 HydrophobicContact CB-CB 4.28Å; P255-A276 HydrophobicContact CG-CB 4.34Å; P255-V279 HydrophobicContact CG-CG2 3.79Å
256	A	93.7	Very high	97.3	Very high	33 Å²	33	60.2 Å²	60.2	27%	0.273	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-68.4	-18.1	-177.5	0	0	0	0	0	113.7	H144 A254	H144-A256 WeakPolarHBondContact ND1-CB 3.36Å; A254-A256 VanDerWaalsContact C-N 3.35Å; A254-A256 PolarHBondContact O-N 2.97Å
257	D	96.1	Very high	97.2	Very high	86 Å²	86	60.1 Å²	60.1	46%	0.46	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-91.7	-6	178.6	-66.4	-19	0	0	0	112.6	H144 K252 A254 P255 E259	H144-D257 IonicContact CE1-OD1 2.69Å; H144-D257 PolarHBondContact CE1-OD1 3.27Å; K252-D257 HydrophobicContact CB-CB 4.02Å; K252-D257 HydrophobicContact CD-CB 4.44Å; K252-D257 HydrophobicContact CG-CB 4.31Å; A254-D257 HydrophobicContact CB-CB 4.25Å; A254-D257 PolarHBondContact O-N 3.27Å; A254-D257 VanDerWaalsContact O-N 3.14Å; P255-D257 PolarHBondContact O-N 3.17Å; D257-E259 PolarHBondContact O-N 2.82Å
258	V	97.9	Very high	97.2	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	31%	0.311	C	S	.	.	S	Bend	trans	-71.8	124.2	174.2	-178.6	0	0	0	0	108.8	L245 L249 P255 F271 Q272	L245-V258 HydrophobicContact CD2-CG1 3.88Å; L249-V258 HydrophobicContact CB-CG2 4.02Å; L249-V258 HydrophobicContact CD1-CG2 4.12Å; P255-V258 WeakPolarHBondContact O-CB 3.37Å; P255-V258 PolarHBondContact O-N 3.19Å; V258-F271 HydrophobicContact CB-CE1 4.25Å; V258-F271 HydrophobicContact CG1-CD1 4.32Å; V258-F271 HydrophobicContact CG1-CE1 3.89Å; V258-F271 HydrophobicContact CG2-CE1 4.1Å; V258-Q272 PolarHBondContact O-NE2 3.3Å
259	E	96.7	Very high	97.1	Very high	165 Å²	165	55.8 Å²	55.8	77%	0.771	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.1	136.6	-177.3	-172.3	174.4	179.3	0	0	111.5	D257 V261	D257-E259 PolarHBondContact O-N 2.82Å; E259-V261 PolarHBondContact O-N 2.64Å
260	V	97.1	Very high	97	Very high	44 Å²	44	56.8 Å²	56.8	27%	0.267	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-70.6	123.7	173.4	172.5	0	0	0	0	109.4	T262 T265	V260-T262 PolarHBondContact O-N 2.9Å; V260-T265 HydrophobicContact CG1-CG2 3.8Å
261	V	98.1	Very high	97	Very high	11 Å²	11	54 Å²	54	7%	0.067	31%	0.306	C	S	.	.			trans	-76.9	113	179.3	-175.9	0	0	0	0	109.6	V236 Q244 L245 E259 G263 A264 T265 S268	V236-V261 HydrophobicContact CG1-CG1 4.32Å; V236-V261 HydrophobicContact CG2-CG1 3.95Å; Q244-V261 HydrophobicContact CB-CG2 4.14Å; L245-V261 HydrophobicContact CD2-CG2 4.12Å; L245-V261 HydrophobicContact CG-CG2 4.21Å; E259-V261 PolarHBondContact O-N 2.64Å; V261-G263 PolarHBondContact O-N 3.27Å; V261-A264 HydrophobicContact CB-CB 4.28Å; V261-A264 HydrophobicContact CG1-CB 4.32Å; V261-A264 CarbonylContact O-C 3.59Å; V261-A264 VanDerWaalsContact O-C 3.29Å; V261-A264 WeakPolarHBondContact O-CA 3.38Å; V261-A264 PolarHBondContact O-N 2.64Å; V261-T265 PolarHBondContact O-N 3.3Å; V261-S268 PolarHBondContact N-OG 3.02Å
262	T	97.5	Very high	97	Very high	125 Å²	125	48.3 Å²	48.3	77%	0.767	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	128.6	176.5	-65.7	0	0	0	0	110.1	V236 V260 A264	V236-T262 WeakPolarHBondContact CG1-O 3.24Å; V260-T262 PolarHBondContact O-N 2.9Å; T262-A264 VanDerWaalsContact C-N 3.35Å
263	G	97.4	Very high	97	Very high	28 Å²	28	42.4 Å²	42.4	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-10.5	-173.5	0	0	0	0	0	114.9	M230 S234 V261	M230-G263 WeakPolarHBondContact CE-O 3.47Å; S234-G263 WeakPolarHBondContact CB-O 3.41Å; S234-G263 PolarHBondContact OG-O 2.85Å; V261-G263 PolarHBondContact O-N 3.27Å
264	A	97.5	Very high	97	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.041	24%	0.236	C	C	.	.			trans	-134.5	39.4	176	0	0	0	0	0	111.7	M230 V236 Y241 V261 T262 H266 S267 S268	M230-A264 HydrophobicContact CE-CB 3.78Å; V236-A264 HydrophobicContact CG1-CB 3.99Å; Y241-A264 HydrophobicContact CD1-CB 3.48Å; Y241-A264 VanDerWaalsContact CD1-CB 3.48Å; Y241-A264 HydrophobicContact CD2-CB 4.33Å; Y241-A264 HydrophobicContact CE1-CB 4.11Å; Y241-A264 HydrophobicContact CG-CB 3.64Å; V261-A264 HydrophobicContact CB-CB 4.28Å; V261-A264 HydrophobicContact CG1-CB 4.32Å; V261-A264 CarbonylContact O-C 3.59Å; V261-A264 VanDerWaalsContact O-C 3.29Å; V261-A264 WeakPolarHBondContact O-CA 3.38Å; V261-A264 PolarHBondContact O-N 2.64Å; T262-A264 VanDerWaalsContact C-N 3.35Å; A264-H266 PolarHBondContact O-N 3.29Å; A264-S267 PolarHBondContact O-N 2.94Å; A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 3.42Å
265	T	96	Very high	97.2	Very high	61 Å²	61	39.2 Å²	39.2	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-61	-47.1	-173.1	53.5	0	0	0	0	112.6	V260 V261 S267 S268 H269	V260-T265 HydrophobicContact CG1-CG2 3.8Å; V261-T265 PolarHBondContact O-N 3.3Å; T265-S267 VanDerWaalsContact C-N 3.32Å; T265-S267 PolarHBondContact O-N 2.82Å; T265-S268 WeakPolarHBondContact O-CB 3.39Å; T265-S268 PolarHBondContact O-N 2.91Å; T265-S268 VanDerWaalsContact O-N 3.12Å; T265-H269 PolarHBondContact O-CD2 2.74Å; T265-H269 PolarHBondContact O-N 3.19Å
266	H	94.2	Very high	97.2	Very high	150 Å²	150	39.3 Å²	39.3	69%	0.694	23%	0.226	S	C	*	.	H	α-helix	trans	-59.1	-41.7	177.3	-67.4	-64.7	0	0	0	112.5	A264 S268 A270	A264-H266 PolarHBondContact O-N 3.29Å; H266-S268 VanDerWaalsContact C-N 3.34Å; H266-A270 WeakPolarHBondContact O-CB 3.26Å; H266-A270 PolarHBondContact O-N 2.87Å
267	S	97.1	Very high	97.5	Very high	21 Å²	21	38 Å²	38	15%	0.147	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-35.6	176.7	-57.1	0	0	0	0	112.2	M212 A264 T265 F271	M212-S267 WeakPolarHBondContact CE-OG 3.45Å; A264-S267 PolarHBondContact O-N 2.94Å; T265-S267 VanDerWaalsContact C-N 3.32Å; T265-S267 PolarHBondContact O-N 2.82Å; S267-F271 WeakPolarHBondContact O-CB 3.41Å; S267-F271 PolarHBondContact O-N 3.35Å
268	S	98	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67	-44.6	176.2	-54.3	0	0	0	0	111.6	V261 A264 T265 H266 F271 Q272	V261-S268 PolarHBondContact N-OG 3.02Å; A264-S268 PolarHBondContact O-N 2.83Å; A264-S268 PolarHBondContact O-OG 3.42Å; T265-S268 WeakPolarHBondContact O-CB 3.39Å; T265-S268 PolarHBondContact O-N 2.91Å; T265-S268 VanDerWaalsContact O-N 3.12Å; H266-S268 VanDerWaalsContact C-N 3.34Å; S268-F271 WeakPolarHBondContact O-CB 3.16Å; S268-F271 PolarHBondContact O-N 3.36Å; S268-Q272 VanDerWaalsContact O-CG 3.32Å; S268-Q272 WeakPolarHBondContact O-CG 3.24Å; S268-Q272 PolarHBondContact O-N 3.17Å
269	H	96.4	Very high	97.6	Very high	43 Å²	43	34.6 Å²	34.6	20%	0.199	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-41.8	176.4	-69.7	-60.5	0	0	0	112	E147 T265 F271 Q272 T273	E147-H269 IonicContact OE1-CE1 2.74Å; E147-H269 PolarHBondContact OE1-CE1 2.95Å; E147-H269 VanDerWaalsContact OE1-CE1 3.31Å; E147-H269 IonicContact OE1-CG 3.99Å; E147-H269 IonicContact OE1-ND1 3.31Å; E147-H269 PolarHBondContact OE1-ND1 3.16Å; T265-H269 PolarHBondContact O-CD2 2.74Å; T265-H269 PolarHBondContact O-N 3.19Å; H269-F271 VanDerWaalsContact C-N 3.29Å; H269-F271 PolarHBondContact O-N 3.27Å; H269-Q272 PolarHBondContact ND1-OE1 2.77Å; H269-Q272 PolarHBondContact O-N 2.79Å; H269-T273 PolarHBondContact O-N 3.45Å; H269-T273 PolarHBondContact O-OG1 2.9Å
270	A	96.7	Very high	97.7	Very high	20 Å²	20	27.7 Å²	27.7	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-42.7	173.9	0	0	0	0	0	111.4	H266 T273 Y274	H266-A270 WeakPolarHBondContact O-CB 3.26Å; H266-A270 PolarHBondContact O-N 2.87Å; A270-T273 PolarHBondContact O-N 2.78Å; A270-Y274 HydrophobicContact CB-CE2 4.31Å; A270-Y274 WeakPolarHBondContact O-CB 3.24Å; A270-Y274 WeakPolarHBondContact O-CD2 3.39Å; A270-Y274 VanDerWaalsContact O-CG 3.31Å; A270-Y274 PolarHBondContact O-N 2.89Å
271	F	98.6	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58	-49.8	173.4	173.4	-86.9	0	0	0	112.2	F196 F210 L245 L249 V258 S267 S268 H269 T273 Y274 A275	F196-F271 AromaticContact CE1-CD2 3.81Å; F196-F271 HydrophobicContact CE1-CD2 3.81Å; F196-F271 AromaticContact CE1-CE2 3.79Å; F196-F271 HydrophobicContact CE1-CE2 3.79Å; F196-F271 HydrophobicContact CE1-CG 4.48Å; F196-F271 HydrophobicContact CE1-CZ 4.41Å; F196-F271 HydrophobicContact CE2-CE2 4.1Å; F196-F271 AromaticContact CZ-CD2 3.86Å; F196-F271 HydrophobicContact CZ-CD2 3.86Å; F196-F271 AromaticContact CZ-CE2 3.33Å; F196-F271 HydrophobicContact CZ-CE2 3.33Å; F196-F271 AromaticContact CZ-CZ 3.83Å; F196-F271 HydrophobicContact CZ-CZ 3.83Å; F210-F271 HydrophobicContact CB-CD2 3.59Å; F210-F271 HydrophobicContact CB-CE2 3.61Å; F210-F271 AromaticContact CD1-CD2 3.81Å; F210-F271 HydrophobicContact CD1-CD2 3.81Å; F210-F271 HydrophobicContact CD2-CB 4.43Å; F210-F271 AromaticContact CD2-CD2 3.72Å; F210-F271 HydrophobicContact CD2-CD2 3.72Å; F210-F271 HydrophobicContact CE1-CB 4.45Å; F210-F271 HydrophobicContact CE1-CD2 4.32Å; F210-F271 HydrophobicContact CE2-CB 4.11Å; F210-F271 HydrophobicContact CE2-CD2 4.22Å; F210-F271 AromaticContact CG-CD2 3.47Å; F210-F271 HydrophobicContact CG-CD2 3.47Å; F210-F271 VanDerWaalsContact CG-CD2 3.47Å; F210-F271 HydrophobicContact CG-CE2 4.04Å; F210-F271 HydrophobicContact CZ-CB 4.12Å; F210-F271 HydrophobicContact CZ-CD2 4.5Å; L245-F271 HydrophobicContact CB-CD1 4.07Å; L245-F271 HydrophobicContact CB-CD2 3.79Å; L245-F271 HydrophobicContact CB-CE1 4.11Å; L245-F271 HydrophobicContact CB-CE2 3.81Å; L245-F271 HydrophobicContact CB-CG 3.92Å; L245-F271 HydrophobicContact CB-CZ 3.97Å; L245-F271 HydrophobicContact CD1-CB 3.86Å; L245-F271 HydrophobicContact CD1-CD2 4.28Å; L245-F271 HydrophobicContact CD1-CG 4.02Å; L245-F271 HydrophobicContact CD2-CB 4.46Å; L245-F271 HydrophobicContact CD2-CD1 3.98Å; L245-F271 HydrophobicContact CD2-CG 4.21Å; L245-F271 HydrophobicContact CG-CD1 4.44Å; L245-F271 HydrophobicContact CG-CG 4.27Å; L245-F271 WeakPolarHBondContact O-CZ 3.32Å; L249-F271 HydrophobicContact CB-CE1 4.01Å; L249-F271 HydrophobicContact CB-CZ 3.61Å; L249-F271 HydrophobicContact CD2-CZ 3.99Å; L249-F271 HydrophobicContact CG-CZ 4.35Å; V258-F271 HydrophobicContact CB-CE1 4.25Å; V258-F271 HydrophobicContact CG1-CD1 4.32Å; V258-F271 HydrophobicContact CG1-CE1 3.89Å; V258-F271 HydrophobicContact CG2-CE1 4.1Å; S267-F271 WeakPolarHBondContact O-CB 3.41Å; S267-F271 PolarHBondContact O-N 3.35Å; S268-F271 WeakPolarHBondContact O-CB 3.16Å; S268-F271 PolarHBondContact O-N 3.36Å; H269-F271 VanDerWaalsContact C-N 3.29Å; H269-F271 PolarHBondContact O-N 3.27Å; F271-T273 PolarHBondContact O-N 2.81Å; F271-Y274 PolarHBondContact O-N 2.82Å; F271-A275 HydrophobicContact CE1-CB 4.38Å; F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 3.29Å
272	Q	98.1	Very high	97.8	Very high	12 Å²	12	25.7 Å²	25.7	6%	0.056	15%	0.154	C	C	.	.	H	α-helix	trans	-60	-46.1	-179.8	-70.9	173	-35.4	0	0	111.4	E147 P255 V258 S268 H269 A275 A276	E147-Q272 PolarHBondContact OE1-OE1 2.88Å; P255-Q272 WeakPolarHBondContact O-CG 3.31Å; V258-Q272 PolarHBondContact O-NE2 3.3Å; S268-Q272 VanDerWaalsContact O-CG 3.32Å; S268-Q272 WeakPolarHBondContact O-CG 3.24Å; S268-Q272 PolarHBondContact O-N 3.17Å; H269-Q272 PolarHBondContact ND1-OE1 2.77Å; H269-Q272 PolarHBondContact O-N 2.79Å; Q272-A275 PolarHBondContact O-N 2.82Å; Q272-A276 WeakPolarHBondContact O-CB 3.25Å; Q272-A276 PolarHBondContact O-N 3.42Å
273	T	98.2	Very high	97.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-61.9	-46.6	178.1	-51.6	0	0	0	0	111.8	N151 Q154 H269 A270 F271 A276 Q277	N151-T273 HydrophobicContact CB-CG2 4.34Å; Q154-T273 HydrophobicContact CB-CG2 4.45Å; H269-T273 PolarHBondContact O-N 3.45Å; H269-T273 PolarHBondContact O-OG1 2.9Å; A270-T273 PolarHBondContact O-N 2.78Å; F271-T273 PolarHBondContact O-N 2.81Å; T273-A276 WeakPolarHBondContact O-CB 3.15Å; T273-A276 PolarHBondContact O-N 2.84Å; T273-Q277 PolarHBondContact O-N 2.88Å; T273-Q277 VanDerWaalsContact O-N 3.08Å
274	Y	98.7	Very high	97.9	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	14%	0.135	C	C	.	.	H	α-helix	trans	-71.6	-36.7	179.9	-65.7	-31.5	0	0	0	113.3	Q154 L183 E185 T194 A270 F271 A276 Q277 L278 V292	Q154-Y274 VanDerWaalsContact NE2-CE1 3.29Å; Q154-Y274 PolarHBondContact NE2-OH 3.46Å; Q154-Y274 VanDerWaalsContact OE1-CE1 3.29Å; L183-Y274 HydrophobicContact CD1-CD1 3.68Å; L183-Y274 HydrophobicContact CD1-CG 4.02Å; L183-Y274 HydrophobicContact CD2-CD1 3.79Å; L183-Y274 HydrophobicContact CD2-CD2 3.98Å; L183-Y274 HydrophobicContact CD2-CE1 4.25Å; L183-Y274 HydrophobicContact CD2-CE2 4.42Å; L183-Y274 HydrophobicContact CD2-CG 3.66Å; L183-Y274 HydrophobicContact CG-CD1 4.42Å; E185-Y274 HydrophobicContact CG-CE2 4.03Å; E185-Y274 WeakPolarHBondContact CG-OH 3.45Å; E185-Y274 PolarHBondContact OE1-OH 2.86Å; T194-Y274 HydrophobicContact CG2-CD2 3.89Å; T194-Y274 HydrophobicContact CG2-CE2 4.09Å; A270-Y274 HydrophobicContact CB-CE2 4.31Å; A270-Y274 WeakPolarHBondContact O-CB 3.24Å; A270-Y274 WeakPolarHBondContact O-CD2 3.39Å; A270-Y274 VanDerWaalsContact O-CG 3.31Å; A270-Y274 PolarHBondContact O-N 2.89Å; F271-Y274 PolarHBondContact O-N 2.82Å; Y274-A276 VanDerWaalsContact C-N 3.28Å; Y274-A276 PolarHBondContact O-N 2.86Å; Y274-Q277 PolarHBondContact O-N 3.22Å; Y274-L278 WeakPolarHBondContact O-CG 3.33Å; Y274-L278 PolarHBondContact O-N 2.94Å; Y274-V292 HydrophobicContact CD1-CG2 4.44Å; Y274-V292 HydrophobicContact CE1-CB 4.46Å; Y274-V292 HydrophobicContact CE1-CG1 4.07Å; Y274-V292 HydrophobicContact CE1-CG2 4.03Å
275	A	98.8	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.1	-38.3	171.3	0	0	0	0	0	110.8	F196 L249 P255 F271 Q272 L278 V279	F196-A275 HydrophobicContact CE1-CB 3.71Å; F196-A275 HydrophobicContact CZ-CB 3.97Å; L249-A275 HydrophobicContact CD1-CB 4.26Å; L249-A275 HydrophobicContact CD2-CB 3.85Å; P255-A275 HydrophobicContact CB-CB 3.79Å; P255-A275 HydrophobicContact CG-CB 3.72Å; F271-A275 HydrophobicContact CE1-CB 4.38Å; F271-A275 WeakPolarHBondContact O-CB 3.38Å; F271-A275 PolarHBondContact O-N 3.29Å; Q272-A275 PolarHBondContact O-N 2.82Å; A275-L278 PolarHBondContact O-N 2.59Å; A275-V279 WeakPolarHBondContact O-CG2 3.42Å; A275-V279 PolarHBondContact O-N 3.4Å
276	A	98.7	Very high	98.1	Very high	16 Å²	16	26.3 Å²	26.3	13%	0.132	14%	0.144	C	C	.	.	H	α-helix	trans	-63.9	-40.3	174.9	0	0	0	0	0	112.7	N151 P255 Q272 T273 Y274 V279 N280	N151-A276 HydrophobicContact CB-CB 4.1Å; N151-A276 WeakPolarHBondContact ND2-CB 3.45Å; P255-A276 HydrophobicContact CB-CB 4.28Å; P255-A276 HydrophobicContact CG-CB 4.34Å; Q272-A276 WeakPolarHBondContact O-CB 3.25Å; Q272-A276 PolarHBondContact O-N 3.42Å; T273-A276 WeakPolarHBondContact O-CB 3.15Å; T273-A276 PolarHBondContact O-N 2.84Å; Y274-A276 VanDerWaalsContact C-N 3.28Å; Y274-A276 PolarHBondContact O-N 2.86Å; A276-V279 PolarHBondContact O-N 3.41Å; A276-N280 VanDerWaalsContact O-CG 3.27Å; A276-N280 PolarHBondContact O-N 3.02Å; A276-N280 PolarHBondContact O-OD1 2.97Å
277	Q	98.8	Very high	98.3	Very high	6 Å²	6	23.2 Å²	23.2	3%	0.028	14%	0.135	C	C	.	.	H	α-helix	trans	-62.9	-42	172.5	-70.5	-168.8	49.6	0	0	112.4	N151 Q155 L183 T273 Y274 V279 N280 A281 I290	N151-Q277 WeakPolarHBondContact OD1-CG 3.28Å; Q155-Q277 HydrophobicContact CG-CG 4.07Å; L183-Q277 HydrophobicContact CD1-CB 4.09Å; T273-Q277 PolarHBondContact O-N 2.88Å; T273-Q277 VanDerWaalsContact O-N 3.08Å; Y274-Q277 PolarHBondContact O-N 3.22Å; Q277-V279 VanDerWaalsContact C-N 3.32Å; Q277-V279 PolarHBondContact O-N 3.33Å; Q277-N280 PolarHBondContact O-N 3.46Å; Q277-A281 PolarHBondContact O-N 2.96Å; Q277-I290 HydrophobicContact CB-CD1 4.13Å
278	L	98.9	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.7	-37.5	175.1	-68.1	175.5	0	0	0	111.9	L183 F196 M198 Y274 A275 A281 A282 I290	L183-L278 HydrophobicContact CB-CD2 3.81Å; L183-L278 HydrophobicContact CB-CG 4.21Å; F196-L278 HydrophobicContact CB-CD1 4.13Å; F196-L278 HydrophobicContact CD1-CD1 3.73Å; F196-L278 HydrophobicContact CD2-CD1 3.86Å; F196-L278 HydrophobicContact CE1-CD1 4.1Å; F196-L278 HydrophobicContact CE2-CD1 4.18Å; F196-L278 HydrophobicContact CG-CD1 3.61Å; F196-L278 HydrophobicContact CZ-CD1 4.29Å; M198-L278 HydrophobicContact CB-CB 4.31Å; M198-L278 HydrophobicContact CB-CD1 3.89Å; M198-L278 HydrophobicContact CE-CB 3.84Å; M198-L278 WeakPolarHBondContact CE-O 3.3Å; M198-L278 HydrophobicContact SD-CB 4.16Å; Y274-L278 WeakPolarHBondContact O-CG 3.33Å; Y274-L278 PolarHBondContact O-N 2.94Å; A275-L278 PolarHBondContact O-N 2.59Å; L278-A281 PolarHBondContact O-N 2.85Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 3.23Å; L278-I290 HydrophobicContact CD2-CD1 4.43Å
279	V	98.8	Very high	98.4	Very high	18 Å²	18	29.2 Å²	29.2	11%	0.109	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-45.6	172.6	166.1	0	0	0	0	111	L176 M198 I205 P255 A275 A276 Q277 A281 A282 E283	L176-V279 HydrophobicContact CD2-CG1 4.04Å; M198-V279 HydrophobicContact CE-CG2 4.2Å; M198-V279 HydrophobicContact SD-CG2 4.11Å; I205-V279 HydrophobicContact CD1-CG2 4.19Å; P255-V279 HydrophobicContact CG-CG2 3.79Å; A275-V279 WeakPolarHBondContact O-CG2 3.42Å; A275-V279 PolarHBondContact O-N 3.4Å; A276-V279 PolarHBondContact O-N 3.41Å; Q277-V279 VanDerWaalsContact C-N 3.32Å; Q277-V279 PolarHBondContact O-N 3.33Å; V279-A281 VanDerWaalsContact C-N 3.29Å; V279-A281 PolarHBondContact O-N 2.88Å; V279-A282 CarbonylContact O-C 3.56Å; V279-A282 WeakPolarHBondContact O-CA 3.3Å; V279-A282 WeakPolarHBondContact O-CB 3.38Å; V279-A282 PolarHBondContact O-N 2.89Å; V279-E283 HydrophobicContact CG1-CG 4.32Å; V279-E283 WeakPolarHBondContact O-CG 3.39Å; V279-E283 PolarHBondContact O-N 3.35Å
280	N	98.7	Very high	98.5	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.102	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-37.1	176.7	-62.1	148.1	0	0	0	112.6	N151 Q155 I170 A276 Q277 A282 E283 K284	N151-N280 PolarHBondContact ND2-OD1 3.49Å; Q155-N280 PolarHBondContact NE2-OD1 2.95Å; I170-N280 HydrophobicContact CD1-CB 4.34Å; I170-N280 HydrophobicContact CG2-CB 4.38Å; I170-N280 WeakPolarHBondContact CG2-ND2 3.16Å; A276-N280 VanDerWaalsContact O-CG 3.27Å; A276-N280 PolarHBondContact O-N 3.02Å; A276-N280 PolarHBondContact O-OD1 2.97Å; Q277-N280 PolarHBondContact O-N 3.46Å; N280-A282 VanDerWaalsContact C-N 3.34Å; N280-E283 WeakPolarHBondContact CA-OE2 3.3Å; N280-E283 PolarHBondContact ND2-OE2 3.41Å; N280-K284 PolarHBondContact O-N 2.91Å
281	A	98.7	Very high	98.5	Very high	14 Å²	14	32.6 Å²	32.6	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-39.6	171.8	0	0	0	0	0	111.7	Y181 Q277 L278 V279 K284 G285 D286 I290	Y181-A281 HydrophobicContact CD1-CB 3.91Å; Q277-A281 PolarHBondContact O-N 2.96Å; L278-A281 PolarHBondContact O-N 2.85Å; V279-A281 VanDerWaalsContact C-N 3.29Å; V279-A281 PolarHBondContact O-N 2.88Å; A281-K284 CarbonylContact O-C 3.54Å; A281-K284 PolarHBondContact O-N 3.32Å; A281-G285 PolarHBondContact O-N 2.92Å; A281-D286 PolarHBondContact O-N 3.07Å; A281-I290 HydrophobicContact CB-CD1 4.22Å
282	A	98.8	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.1	-39.2	177.5	0	0	0	0	0	114	L176 K177 Y181 M198 V200 L278 V279 N280 K284 G285	L176-A282 HydrophobicContact CB-CB 4.49Å; L176-A282 HydrophobicContact CD2-CB 4.16Å; K177-A282 WeakPolarHBondContact CB-O 2.94Å; K177-A282 WeakPolarHBondContact CG-O 3.32Å; K177-A282 PolarHBondContact N-O 3.29Å; Y181-A282 HydrophobicContact CD1-CB 4.27Å; Y181-A282 HydrophobicContact CD2-CB 3.77Å; Y181-A282 VanDerWaalsContact CE1-CA 3.44Å; Y181-A282 HydrophobicContact CE1-CB 4.01Å; Y181-A282 HydrophobicContact CE2-CB 3.47Å; Y181-A282 VanDerWaalsContact CE2-CB 3.47Å; Y181-A282 HydrophobicContact CG-CB 4.17Å; M198-A282 HydrophobicContact CE-CB 3.85Å; V200-A282 HydrophobicContact CG2-CB 4.1Å; L278-A282 WeakPolarHBondContact O-CB 3.41Å; L278-A282 PolarHBondContact O-N 3.23Å; V279-A282 CarbonylContact O-C 3.56Å; V279-A282 WeakPolarHBondContact O-CA 3.3Å; V279-A282 WeakPolarHBondContact O-CB 3.38Å; V279-A282 PolarHBondContact O-N 2.89Å; N280-A282 VanDerWaalsContact C-N 3.34Å; A282-K284 PolarHBondContact O-N 3.14Å; A282-G285 PolarHBondContact O-N 3.37Å; A282-G285 VanDerWaalsContact O-N 3.14Å
283	E	98.7	Very high	98.5	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-41.8	171.7	-72.7	171.3	149.1	0	0	110.8	D171 G173 A174 L176 V279 N280	D171-E283 HydrophobicContact CB-CB 4.49Å; G173-E283 PolarHBondContact N-OE1 2.87Å; A174-E283 HydrophobicContact CB-CB 4.19Å; A174-E283 HydrophobicContact CB-CG 4.45Å; L176-E283 HydrophobicContact CD2-CG 3.85Å; V279-E283 HydrophobicContact CG1-CG 4.32Å; V279-E283 WeakPolarHBondContact O-CG 3.39Å; V279-E283 PolarHBondContact O-N 3.35Å; N280-E283 WeakPolarHBondContact CA-OE2 3.3Å; N280-E283 PolarHBondContact ND2-OE2 3.41Å
284	K	98	Very high	98.5	Very high	133 Å²	133	33.7 Å²	33.7	58%	0.578	20%	0.195	S	C	*	.	H	α-helix	trans	-79.6	-18.8	177.5	-171	-179.5	169.5	-148.6	0	114.2	N280 A281 A282 D286	N280-K284 PolarHBondContact O-N 2.91Å; A281-K284 CarbonylContact O-C 3.54Å; A281-K284 PolarHBondContact O-N 3.32Å; A282-K284 PolarHBondContact O-N 3.14Å; K284-D286 VanDerWaalsContact C-N 3.31Å; K284-D286 HydrophobicContact CB-CB 4.41Å; K284-D286 HydrophobicContact CD-CB 4.06Å; K284-D286 HydrophobicContact CG-CB 4.26Å; K284-D286 IonicContact NZ-OD2 2.76Å; K284-D286 PolarHBondContact NZ-OD2 3.4Å
285	G	98.4	Very high	98.5	Very high	32 Å²	32	34.6 Å²	34.6	33%	0.33	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	20.9	-169.9	0	0	0	0	0	114.5	A281 A282 T287	A281-G285 PolarHBondContact O-N 2.92Å; A282-G285 PolarHBondContact O-N 3.37Å; A282-G285 VanDerWaalsContact O-N 3.14Å; G285-T287 PolarHBondContact O-N 2.84Å
286	D	98.3	Very high	98.4	Very high	51 Å²	51	35.3 Å²	35.3	27%	0.273	20%	0.204	S	C	.	.			trans	-87.4	104.9	-178.9	-163.8	-18.7	0	0	0	110.6	Y181 A281 K284 T288	Y181-D286 VanDerWaalsContact CD1-O 3.29Å; Y181-D286 WeakPolarHBondContact CD1-O 3.42Å; Y181-D286 WeakPolarHBondContact CE1-O 3.29Å; A281-D286 PolarHBondContact O-N 3.07Å; K284-D286 VanDerWaalsContact C-N 3.31Å; K284-D286 HydrophobicContact CB-CB 4.41Å; K284-D286 HydrophobicContact CD-CB 4.06Å; K284-D286 HydrophobicContact CG-CB 4.26Å; K284-D286 IonicContact NZ-OD2 2.76Å; K284-D286 PolarHBondContact NZ-OD2 3.4Å; D286-T288 VanDerWaalsContact C-N 3.3Å; D286-T288 VanDerWaalsContact OD1-CB 3.22Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 PolarHBondContact OD1-N 3.01Å; D286-T288 VanDerWaalsContact OD1-N 3.16Å; D286-T288 PolarHBondContact OD1-OG1 2.77Å
287	T	98.5	Very high	98.2	Very high	85 Å²	85	37.1 Å²	37.1	52%	0.521	21%	0.214	S	C	.	.			trans	-90.5	6.7	-178.4	53.4	0	0	0	0	113.2	Y181 G285 A289	Y181-T287 HydrophobicContact CD1-CG2 4.37Å; Y181-T287 HydrophobicContact CE1-CG2 3.87Å; G285-T287 PolarHBondContact O-N 2.84Å; T287-A289 PolarHBondContact O-N 3.23Å
288	T	98.4	Very high	97.6	Very high	99 Å²	99	46.8 Å²	46.8	61%	0.607	26%	0.256	S	S	*	.	S	Bend	trans	-60.8	127.3	173.8	-50.7	0	0	0	0	109.3	D286 I290	D286-T288 VanDerWaalsContact C-N 3.3Å; D286-T288 VanDerWaalsContact OD1-CB 3.22Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 PolarHBondContact OD1-N 3.01Å; D286-T288 VanDerWaalsContact OD1-N 3.16Å; D286-T288 PolarHBondContact OD1-OG1 2.77Å; T288-I290 PolarHBondContact O-N 2.82Å
289	A	98.5	Very high	97.6	Very high	48 Å²	48	49.2 Å²	49.2	40%	0.397	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-62.7	125.9	179.2	0	0	0	0	0	110.7	K182 T287	K182-A289 HydrophobicContact CB-CB 4.22Å; K182-A289 WeakPolarHBondContact O-CA 3.27Å; T287-A289 PolarHBondContact O-N 3.23Å
290	I	98.6	Very high	97.5	Very high	34 Å²	34	50.8 Å²	50.8	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.2	178.3	-60.2	167.6	0	0	0	108.6	K182 L183 E184 Q277 L278 A281 T288 V292	K182-I290 PolarHBondContact O-N 2.92Å; L183-I290 CarbonylContact C-O 3.55Å; L183-I290 VanDerWaalsContact CA-O 3.31Å; L183-I290 WeakPolarHBondContact CA-O 3.3Å; L183-I290 HydrophobicContact CB-CB 4.14Å; L183-I290 HydrophobicContact CD1-CB 4.18Å; L183-I290 HydrophobicContact CD1-CD1 4.41Å; L183-I290 HydrophobicContact CD1-CG2 3.89Å; L183-I290 HydrophobicContact CG-CB 4.12Å; L183-I290 HydrophobicContact CG-CG2 4.12Å; E184-I290 PolarHBondContact N-O 3Å; Q277-I290 HydrophobicContact CB-CD1 4.13Å; L278-I290 HydrophobicContact CD2-CD1 4.43Å; A281-I290 HydrophobicContact CB-CD1 4.22Å; T288-I290 PolarHBondContact O-N 2.82Å; I290-V292 HydrophobicContact CG2-CG2 4Å
291	Q	98	Very high	97.4	Very high	100 Å²	100	52.6 Å²	52.6	47%	0.467	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.5	174.6	-66.1	-67.8	-36.5	0	0	109	E184	E184-Q291 PolarHBondContact OE1-NE2 3.34Å
292	V	98.4	Very high	97.3	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.1	179	-172.3	0	0	0	0	108.8	Q158 L183 E184 E185 K186 Y274 I290 N294	Q158-V292 HydrophobicContact CG-CG1 4.49Å; L183-V292 HydrophobicContact CD1-CG2 3.78Å; L183-V292 HydrophobicContact CD2-CG2 3.88Å; L183-V292 HydrophobicContact CG-CG2 3.76Å; E184-V292 PolarHBondContact O-N 3.13Å; E185-V292 CarbonylContact C-O 3.57Å; E185-V292 WeakPolarHBondContact CA-O 3.24Å; E185-V292 HydrophobicContact CG-CB 4.49Å; K186-V292 PolarHBondContact N-O 2.94Å; Y274-V292 HydrophobicContact CD1-CG2 4.44Å; Y274-V292 HydrophobicContact CE1-CB 4.46Å; Y274-V292 HydrophobicContact CE1-CG1 4.07Å; Y274-V292 HydrophobicContact CE1-CG2 4.03Å; I290-V292 HydrophobicContact CG2-CG2 4Å; V292-N294 HydrophobicContact CG1-CB 4.01Å; V292-N294 PolarHBondContact O-N 3.04Å; V292-N294 PolarHBondContact O-OD1 3.48Å
293	D	98	Very high	97.3	Very high	26 Å²	26	58.3 Å²	58.3	14%	0.139	32%	0.316	C	S	.	.			trans	-76.6	60.8	169.3	-160.6	-23	0	0	0	109.9	G51 G52 Q161 K186 N187	G51-D293 VanDerWaalsContact CA-OD1 3.28Å; G51-D293 WeakPolarHBondContact CA-OD1 3.49Å; G52-D293 VanDerWaalsContact N-CG 3.3Å; G52-D293 PolarHBondContact N-OD1 3.35Å; G52-D293 PolarHBondContact N-OD2 2.82Å; Q161-D293 PolarHBondContact NE2-O 3.33Å; Q161-D293 PolarHBondContact OE1-O 3Å; K186-D293 HydrophobicContact CD-CB 4.15Å; K186-D293 WeakPolarHBondContact CD-OD2 3.34Å; K186-D293 IonicContact NZ-OD2 2.81Å; K186-D293 PolarHBondContact NZ-OD2 3.23Å; N187-D293 PolarHBondContact ND2-OD1 3.49Å
294	N	98.1	Very high	97.2	Very high	7 Å²	7	61.1 Å²	61.1	4%	0.037	33%	0.332	C	S	.	.			trans	-52.7	135.3	-171.2	59.7	-46.8	0	0	0	112.6	E185 K186 N187 V292 V296	E185-N294 HydrophobicContact CB-CB 4.47Å; E185-N294 VanDerWaalsContact CD-ND2 3.25Å; E185-N294 HydrophobicContact CG-CB 3.96Å; E185-N294 WeakPolarHBondContact OE1-CB 3.49Å; E185-N294 VanDerWaalsContact OE1-CG 3.25Å; E185-N294 PolarHBondContact OE1-ND2 2.89Å; K186-N294 PolarHBondContact N-OD1 3.44Å; N187-N294 WeakPolarHBondContact CA-OD1 3.4Å; N187-N294 VanDerWaalsContact CB-OD1 3.29Å; N187-N294 WeakPolarHBondContact CB-OD1 3.46Å; N187-N294 PolarHBondContact N-OD1 3.45Å; N187-N294 PolarHBondContact ND2-O 2.76Å; N187-N294 PolarHBondContact ND2-OD1 3.47Å; N187-N294 PolarHBondContact O-ND2 3.23Å; N187-N294 PolarHBondContact O-OD1 2.94Å; V292-N294 HydrophobicContact CG1-CB 4.01Å; V292-N294 PolarHBondContact O-N 3.04Å; V292-N294 PolarHBondContact O-OD1 3.48Å; N294-V296 PolarHBondContact O-N 3.23Å
295	I	97.7	Very high	97.1	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.108	31%	0.314	C	S	.	.			trans	-78.5	115.1	179.4	-62.5	175.1	0	0	0	108.5	K48 N132 V157 T297	K48-I295 HydrophobicContact CD-CG2 4.24Å; K48-I295 HydrophobicContact CG-CG2 4.1Å; N132-I295 HydrophobicContact CB-CG2 4.35Å; V157-I295 HydrophobicContact CG1-CD1 3.9Å; V157-I295 HydrophobicContact CG1-CG1 4.49Å; I295-T297 HydrophobicContact CG2-CG2 3.98Å
296	V	97	Very high	97	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.8	174.2	-172.8	0	0	0	0	108.1	V49 A50 N187 N294	V49-V296 HydrophobicContact CG2-CB 3.94Å; V49-V296 HydrophobicContact CG2-CG1 3.66Å; V49-V296 WeakPolarHBondContact CG2-O 3.42Å; V49-V296 PolarHBondContact N-O 3.2Å; A50-V296 HydrophobicContact CB-CB 3.94Å; A50-V296 HydrophobicContact CB-CG2 4.01Å; A50-V296 PolarHBondContact N-O 2.88Å; A50-V296 PolarHBondContact O-N 3.07Å; N187-V296 HydrophobicContact CB-CG2 3.88Å; N294-V296 PolarHBondContact O-N 3.23Å
297	T	95	Very high	96.9	Very high	55 Å²	55	58.3 Å²	58.3	34%	0.337	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	160.8	-179.8	54.4	0	0	0	0	111.9	A46 E47 I295	A46-T297 HydrophobicContact CB-CG2 4.03Å; E47-T297 CarbonylContact O-C 3.55Å; E47-T297 WeakPolarHBondContact O-CA 3.49Å; I295-T297 HydrophobicContact CG2-CG2 3.98Å
298	K	86.4	Confident	96.7	Very high	209 Å²	209	55.9 Å²	55.9	91%	0.909	30%	0.298	S	S	*	.			trans	-129	0	171.6	-70.3	-172.7	-170.4	169.1	0	111.7	E47 V49	E47-K298 PolarHBondContact N-O 2.76Å; E47-K298 PolarHBondContact O-N 2.81Å; V49-K298 HydrophobicContact CG1-CB 4.13Å; V49-K298 HydrophobicContact CG1-CD 3.72Å; V49-K298 HydrophobicContact CG1-CG 3.7Å; V49-K298 HydrophobicContact CG2-CG 4.08Å

Retrieved 298 of 298 residues in 53.7 ms (Link to these results)

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