A0A077YZF9_TRITR Loading...

Probable NADH dehydrogenase [ubiquinone] iron-sulfur protein 7, mitochondrial

AlphaFold DB , UniProt , Accession A0A077YZF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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	41.5	Very low	33.6	Very low	236 Å²	236	179.3 Å²	179.3	100%	1.163	88%	0.876	S	S	*	*				0	112.4	0	-70.5	178.5	173.6	0	0	108
2	P	35.4	Very low	33	Very low	129 Å²	129	174.3 Å²	174.3	84%	0.838	87%	0.873	S	S	*	*			trans	-91.7	123	-168.3	33.5	-27.8	0	0	0	111
3	I	45.5	Very low	32.6	Very low	178 Å²	178	169.5 Å²	169.5	91%	0.913	86%	0.864	S	S	*	*			trans	-87.8	111.3	172.7	-69.8	164.9	0	0	0	108.3
4	R	32.7	Very low	33.1	Very low	228 Å²	228	163.2 Å²	163.2	86%	0.86	85%	0.85	S	S	*	*			trans	-83.6	136.9	178.5	-114	175.1	173.9	-175.9	-1.7	110.8
5	S	32.4	Very low	33.1	Very low	105 Å²	105	160.6 Å²	160.6	73%	0.734	84%	0.844	S	S	*	*			trans	59.6	107.7	142	74.7	0	0	0	0	120.5
6	L	34.8	Very low	33.7	Very low	178 Å²	178	159 Å²	159	93%	0.932	84%	0.837	S	S	*	*			trans	-131.9	83.2	145.5	-102.3	150.8	0	0	0	108.2
7	R	29.4	Very low	34.6	Very low	234 Å²	234	155.2 Å²	155.2	88%	0.883	81%	0.812	S	S	*	*			trans	-110.1	102.6	159.8	-82.2	-173	-175.6	-169.7	1.7	106.3
8	L	29.4	Very low	35.4	Very low	154 Å²	154	150.7 Å²	150.7	81%	0.806	79%	0.793	S	S	*	*			trans	-176.3	94.6	161.1	-102.1	138	0	0	0	109.4
9	F	30.9	Very low	36.3	Very low	187 Å²	187	149.9 Å²	149.9	82%	0.82	79%	0.789	S	S	*	*				179.2	65.4	129.8	-113.7	-92.3	0	0	0	109.3
10	S	27.7	Very low	37.4	Very low	123 Å²	123	147.4 Å²	147.4	86%	0.86	78%	0.784	S	S	*	*			trans	-87.4	97.6	161.5	167.2	0	0	0	0	107
11	R	29.9	Very low	38.5	Very low	220 Å²	220	144.7 Å²	144.7	83%	0.83	77%	0.77	S	S	*	*			trans	-132.4	92.3	163.3	-94.4	-172.6	169.6	-151.8	-2	108.4	C13	R11-C13 PolarHBondContact O-N 3.14Å
12	S	26.9	Very low	39.4	Very low	119 Å²	119	136 Å²	136	83%	0.832	73%	0.728	S	S	*	*			trans	31.8	77.3	148.3	-162.3	0	0	0	0	115.9
13	C	27.5	Very low	40.6	Very low	112 Å²	112	137.3 Å²	137.3	76%	0.757	72%	0.72	S	S	*	*			trans	-86	109.7	154.8	-151.3	0	0	0	0	105.3	R11 T15	R11-C13 PolarHBondContact O-N 3.14Å; C13-T15 PolarHBondContact O-N 2.99Å
14	A	39.5	Very low	40.6	Very low	82 Å²	82	136.5 Å²	136.5	68%	0.678	72%	0.724	S	S	*	*			trans	-47.4	130.6	171.5	0	0	0	0	0	108.5	N16	A14-N16 PolarHBondContact O-N 2.82Å
15	T	33.3	Very low	41.8	Very low	124 Å²	124	129.2 Å²	129.2	76%	0.761	72%	0.72	S	S	*	*			trans	-54.6	101.4	-169.9	45.1	0	0	0	0	111.9	C13 K17	C13-T15 PolarHBondContact O-N 2.99Å; T15-K17 VanDerWaalsContact C-N 3.26Å; T15-K17 PolarHBondContact O-N 2.96Å
16	N	42.6	Very low	42.5	Very low	135 Å²	135	127.3 Å²	127.3	72%	0.722	70%	0.702	S	S	*	*			trans	-74.3	82.2	165.5	-81.2	-24	0	0	0	108.6	A14	A14-N16 PolarHBondContact O-N 2.82Å
17	K	48.8	Very low	43.1	Very low	94 Å²	94	127 Å²	127	41%	0.409	69%	0.693	S	S	.	*			trans	-65.2	139.9	160.4	-77.6	-178.4	-175.8	177.4	0	108.5	T15 D21 D26	T15-K17 VanDerWaalsContact C-N 3.26Å; T15-K17 PolarHBondContact O-N 2.96Å; K17-D21 HydrophobicContact CB-CB 4.38Å; K17-D21 HydrophobicContact CD-CB 4.33Å; K17-D26 IonicContact NZ-OD2 2.83Å; K17-D26 PolarHBondContact NZ-OD2 3.33Å
18	P	49.2	Very low	44.1	Very low	74 Å²	74	118.9 Å²	118.9	48%	0.481	67%	0.669	S	S	.	*			trans	-59.4	146.7	166.3	27.9	-33.2	0	0	0	109.2	S20 D21	P18-S20 PolarHBondContact O-N 3.12Å; P18-D21 HydrophobicContact CG-CB 4.31Å; P18-D21 WeakPolarHBondContact CG-OD2 3.42Å; P18-D21 PolarHBondContact O-N 2.72Å
19	L	52.5	Low	45.2	Very low	136 Å²	136	116.1 Å²	116.1	71%	0.712	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-55.8	-21.9	-174.2	-159.4	80	0	0	0	113.2	D21 L22	L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 2.93Å; L19-L22 HydrophobicContact CD1-CD1 4.24Å
20	S	58.7	Low	46.2	Very low	99 Å²	99	112 Å²	112	69%	0.692	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-65.1	-22.8	174.5	57	0	0	0	0	114.6	P18	P18-S20 PolarHBondContact O-N 3.12Å
21	D	60.2	Low	47	Very low	91 Å²	91	108.5 Å²	108.5	49%	0.487	62%	0.617	S	S	.	*	G	3₁₀ helix	trans	-108	7	-168.9	-63.4	-3.2	0	0	0	113.1	K17 P18 L19 K23	K17-D21 HydrophobicContact CB-CB 4.38Å; K17-D21 HydrophobicContact CD-CB 4.33Å; P18-D21 HydrophobicContact CG-CB 4.31Å; P18-D21 WeakPolarHBondContact CG-OD2 3.42Å; P18-D21 PolarHBondContact O-N 2.72Å; L19-D21 VanDerWaalsContact C-N 3.26Å; L19-D21 PolarHBondContact O-N 2.93Å; D21-K23 PolarHBondContact O-N 2.89Å
22	L	60.8	Low	48.1	Very low	54 Å²	54	100.1 Å²	100.1	28%	0.283	59%	0.592	S	S	.	*			trans	-75	123	175	-91.6	104.6	0	0	0	110.8	L19 D26 V28	L19-L22 HydrophobicContact CD1-CD1 4.24Å; L22-D26 HydrophobicContact CD2-CB 3.94Å; L22-D26 HydrophobicContact CG-CB 4.3Å; L22-V28 HydrophobicContact CD2-CG2 4.43Å
23	K	59.5	Low	49.2	Very low	156 Å²	156	101.9 Å²	101.9	68%	0.678	58%	0.581	S	S	*	*			trans	-85.1	149.7	172.3	-63.8	-178.2	179.9	-178.9	0	109.7	D21 G25 D26	D21-K23 PolarHBondContact O-N 2.89Å; K23-G25 PolarHBondContact O-N 2.77Å; K23-D26 PolarHBondContact N-OD2 3.08Å; K23-D26 PolarHBondContact O-N 3.4Å
24	T	46.8	Very low	49.7	Very low	161 Å²	161	101.4 Å²	101.4	99%	0.988	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	102.2	173.8	-48.7	0	0	0	0	109.7
25	G	57.5	Low	50	Low	76 Å²	76	101.7 Å²	101.7	78%	0.784	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	125.6	-14.8	-174.6	0	0	0	0	0	114.9	K23 K27	K23-G25 PolarHBondContact O-N 2.77Å; G25-K27 PolarHBondContact O-N 2.87Å
26	D	47.7	Very low	50.9	Low	64 Å²	64	99 Å²	99	34%	0.342	56%	0.557	S	S	.	*	S	Bend	trans	-71.5	125.7	170.1	-74.4	-13.6	0	0	0	108.8	K17 L22 K23 V28	K17-D26 IonicContact NZ-OD2 2.83Å; K17-D26 PolarHBondContact NZ-OD2 3.33Å; L22-D26 HydrophobicContact CD2-CB 3.94Å; L22-D26 HydrophobicContact CG-CB 4.3Å; K23-D26 PolarHBondContact N-OD2 3.08Å; K23-D26 PolarHBondContact O-N 3.4Å; D26-V28 PolarHBondContact O-N 3.16Å
27	K	47.2	Very low	50.8	Low	173 Å²	173	96.2 Å²	96.2	75%	0.752	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-59.5	125.7	174.3	-66.3	-164.9	176	-161.8	0	109.1	G25	G25-K27 PolarHBondContact O-N 2.87Å
28	V	50.4	Low	50.4	Low	63 Å²	63	95.3 Å²	95.3	38%	0.382	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-65.6	140.9	172.3	-161.9	0	0	0	0	106.3	L22 D26 I30	L22-V28 HydrophobicContact CD2-CG2 4.43Å; D26-V28 PolarHBondContact O-N 3.16Å; V28-I30 PolarHBondContact O-N 3.21Å
29	P	50.8	Low	50.3	Low	96 Å²	96	98 Å²	98	62%	0.623	56%	0.563	S	S	*	*	S	Bend	trans	-53.5	-16.9	179.6	-29.3	35.6	0	0	0	114.4
30	I	52.2	Low	50.1	Low	101 Å²	101	96.6 Å²	96.6	52%	0.518	56%	0.555	S	S	.	*	S	Bend	trans	-142.6	100.6	173.1	-53.9	165.9	0	0	0	107	V28	V28-I30 PolarHBondContact O-N 3.21Å
31	D	45.8	Very low	49.4	Very low	48 Å²	48	94.9 Å²	94.9	26%	0.257	54%	0.538	S	S	.	.			trans	-73.8	127.7	166.5	-74.6	-33	0	0	0	108.2	Y33 D34	D31-Y33 PolarHBondContact O-N 2.93Å; D31-D34 HydrophobicContact CB-CB 4.29Å; D31-D34 PolarHBondContact O-N 3.47Å; D31-D34 VanDerWaalsContact O-N 3.09Å
32	P	52.1	Low	48.5	Very low	44 Å²	44	95 Å²	95	29%	0.286	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-1.3	-173.7	24.5	-32.5	0	0	0	114.6	N156	P32-N156 HydrophobicContact CB-CB 4.21Å
33	Y	50	Low	47.9	Very low	156 Å²	156	97 Å²	97	61%	0.612	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	-9.8	178.3	-58.8	-68.5	0	0	0	113.6	D31	D31-Y33 PolarHBondContact O-N 2.93Å
34	D	37.9	Very low	47.5	Very low	102 Å²	102	92.3 Å²	92.3	55%	0.545	54%	0.541	S	S	.	.	S	Bend	trans	-82.8	129.2	172.3	-77.1	-11.1	0	0	0	108.1	D31 V36	D31-D34 HydrophobicContact CB-CB 4.29Å; D31-D34 PolarHBondContact O-N 3.47Å; D31-D34 VanDerWaalsContact O-N 3.09Å; D34-V36 PolarHBondContact O-N 3.39Å
35	A	47.2	Very low	47.6	Very low	88 Å²	88	93.4 Å²	93.4	73%	0.727	53%	0.532	S	S	*	.			trans	-49.4	129.6	165.9	0	0	0	0	0	107.5	P37	A35-P37 WeakPolarHBondContact O-CD 3.4Å
36	V	50.4	Low	47	Very low	69 Å²	69	94.5 Å²	94.5	42%	0.418	52%	0.52	S	S	.	.			trans	-40	116.3	175.7	176.9	0	0	0	0	107	D34 A38 L40	D34-V36 PolarHBondContact O-N 3.39Å; V36-A38 PolarHBondContact O-N 2.93Å; V36-A38 VanDerWaalsContact O-N 3.1Å; V36-L40 HydrophobicContact CG1-CB 3.57Å; V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.36Å
37	P	40.5	Very low	47.3	Very low	75 Å²	75	95 Å²	95	49%	0.487	53%	0.525	S	S	.	.			trans	-49.4	128.9	-176.3	-27.4	29.7	0	0	0	107.8	A35 E39 L40	A35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-E39 HydrophobicContact CB-CB 4.36Å; P37-E39 CarbonylContact O-C 3.58Å; P37-E39 PolarHBondContact O-N 3.32Å; P37-L40 PolarHBondContact O-N 3Å
38	A	42.1	Very low	47.4	Very low	76 Å²	76	89.1 Å²	89.1	63%	0.628	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-14.5	-178.3	0	0	0	0	0	113	V36 D41 K42	V36-A38 PolarHBondContact O-N 2.93Å; V36-A38 VanDerWaalsContact O-N 3.1Å; A38-D41 PolarHBondContact O-N 3.17Å; A38-K42 PolarHBondContact O-N 3.32Å
39	E	46.3	Very low	47.4	Very low	131 Å²	131	98.5 Å²	98.5	61%	0.612	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-37.4	167.6	-148.1	72.9	-140.2	0	0	114.3	P37 D41 K42	P37-E39 HydrophobicContact CB-CB 4.36Å; P37-E39 CarbonylContact O-C 3.58Å; P37-E39 PolarHBondContact O-N 3.32Å; E39-D41 VanDerWaalsContact C-N 3.33Å; E39-K42 IonicContact OE1-NZ 3.02Å; E39-K42 PolarHBondContact OE1-NZ 3.45Å; E39-K42 IonicContact OE2-NZ 3.73Å; E39-K42 PolarHBondContact OE2-NZ 3.42Å
40	L	48.7	Very low	47.7	Very low	106 Å²	106	97.7 Å²	97.7	56%	0.555	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.4	176.2	-82	165.5	0	0	0	113.1	V36 P37	V36-L40 HydrophobicContact CG1-CB 3.57Å; V36-L40 HydrophobicContact CG1-CD1 3.85Å; V36-L40 HydrophobicContact CG1-CG 4.36Å; P37-L40 PolarHBondContact O-N 3Å
41	D	43.9	Very low	48.3	Very low	63 Å²	63	94.4 Å²	94.4	34%	0.337	52%	0.517	S	S	.	.	S	Bend	trans	-91.9	-8.9	175.3	-84	-6.2	0	0	0	113.5	A38 E39 Y193	A38-D41 PolarHBondContact O-N 3.17Å; E39-D41 VanDerWaalsContact C-N 3.33Å; D41-Y193 PolarHBondContact OD1-OH 3.45Å; D41-Y193 PolarHBondContact OD2-OH 2.99Å
42	K	41.9	Very low	49.2	Very low	92 Å²	92	93 Å²	93	40%	0.4	51%	0.511	S	S	.	.	S	Bend	trans	-63.8	127.8	173	-69.4	172.7	-166.2	172.2	0	108.1	A38 E39 A44	A38-K42 PolarHBondContact O-N 3.32Å; E39-K42 IonicContact OE1-NZ 3.02Å; E39-K42 PolarHBondContact OE1-NZ 3.45Å; E39-K42 IonicContact OE2-NZ 3.73Å; E39-K42 PolarHBondContact OE2-NZ 3.42Å; K42-A44 PolarHBondContact O-N 3.33Å
43	P	46.6	Very low	49.8	Very low	98 Å²	98	92.1 Å²	92.1	64%	0.636	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-54	138	167.6	25.8	-32.7	0	0	0	106.9	K45	P43-K45 PolarHBondContact O-N 3.21Å
44	A	51.7	Low	50.8	Low	57 Å²	57	85.1 Å²	85.1	47%	0.471	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-46.4	118.5	169.6	0	0	0	0	0	106.2	K42 D46 V47	K42-A44 PolarHBondContact O-N 3.33Å; A44-D46 PolarHBondContact O-N 3.41Å; A44-V47 PolarHBondContact O-N 3.04Å
45	K	48.2	Very low	52.1	Low	184 Å²	184	83.2 Å²	83.2	80%	0.8	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-0	-167.1	-83.3	178	172.6	176.8	0	114.1	P43	P43-K45 PolarHBondContact O-N 3.21Å
46	D	45.7	Very low	53.1	Low	99 Å²	99	87.2 Å²	87.2	53%	0.529	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	36.1	-172.3	-40.9	-19.3	0	0	0	111.4	A44 P48	A44-D46 PolarHBondContact O-N 3.41Å; D46-P48 WeakPolarHBondContact O-CD 3.45Å
47	V	53.4	Low	54	Low	75 Å²	75	86 Å²	86	46%	0.455	46%	0.464	S	S	.	.			trans	-76.5	107.9	166.1	-75.5	0	0	0	0	108.6	A44	A44-V47 PolarHBondContact O-N 3.04Å
48	P	50.4	Low	55.4	Low	48 Å²	48	88 Å²	88	31%	0.312	48%	0.479	S	S	.	.			trans	-67.6	166.6	173.4	-3.5	20.1	0	0	0	109.1	D46 T50 G51 T52 T55	D46-P48 WeakPolarHBondContact O-CD 3.45Å; P48-T50 HydrophobicContact CB-CG2 4.49Å; P48-T50 WeakPolarHBondContact CB-OG1 3.21Å; P48-T50 WeakPolarHBondContact CG-OG1 3.25Å; P48-T50 PolarHBondContact O-N 3.24Å; P48-G51 PolarHBondContact O-N 3.12Å; P48-T52 VanDerWaalsContact CD-O 3.25Å; P48-T52 WeakPolarHBondContact CD-O 3.47Å; P48-T55 HydrophobicContact CB-CG2 4.45Å; P48-T55 VanDerWaalsContact CD-CG2 3.44Å; P48-T55 HydrophobicContact CG-CG2 3.03Å
49	W	49.8	Very low	57.2	Low	260 Å²	260	86.7 Å²	86.7	99%	0.985	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-24.9	168.8	-173.9	82.2	0	0	0	113.4	G51	W49-G51 PolarHBondContact O-N 2.88Å; W49-G51 VanDerWaalsContact O-N 3.14Å
50	T	56.2	Low	59	Low	80 Å²	80	88.6 Å²	88.6	49%	0.491	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.8	173.7	63.7	0	0	0	0	114.1	P48 T52	P48-T50 HydrophobicContact CB-CG2 4.49Å; P48-T50 WeakPolarHBondContact CB-OG1 3.21Å; P48-T50 WeakPolarHBondContact CG-OG1 3.25Å; P48-T50 PolarHBondContact O-N 3.24Å; T50-T52 PolarHBondContact O-N 3.38Å; T50-T52 VanDerWaalsContact O-N 3.12Å; T50-T52 PolarHBondContact OG1-OG1 3.33Å
51	G	66	Low	60.8	Low	31 Å²	31	85.5 Å²	85.5	32%	0.32	47%	0.466	S	S	.	.			trans	70.3	3.7	179.4	0	0	0	0	0	114.4	P48 W49 K203	P48-G51 PolarHBondContact O-N 3.12Å; W49-G51 PolarHBondContact O-N 2.88Å; W49-G51 VanDerWaalsContact O-N 3.14Å; G51-K203 WeakPolarHBondContact O-CE 3.35Å; G51-K203 PolarHBondContact O-NZ 3.14Å
52	T	65.2	Low	62.7	Low	19 Å²	19	83.8 Å²	83.8	12%	0.117	46%	0.456	C	S	.	.			trans	-98.6	128.7	-176.9	59.8	0	0	0	0	110.8	P48 T50 F54 R67 D70	P48-T52 VanDerWaalsContact CD-O 3.25Å; P48-T52 WeakPolarHBondContact CD-O 3.47Å; T50-T52 PolarHBondContact O-N 3.38Å; T50-T52 VanDerWaalsContact O-N 3.12Å; T50-T52 PolarHBondContact OG1-OG1 3.33Å; T52-F54 PolarHBondContact O-N 3.2Å; T52-R67 VanDerWaalsContact CG2-NH2 3.32Å; T52-R67 PolarHBondContact OG1-NH2 3.28Å; T52-D70 WeakPolarHBondContact CB-OD1 3.45Å; T52-D70 WeakPolarHBondContact CB-OD2 3.18Å; T52-D70 HydrophobicContact CG2-CB 4.3Å; T52-D70 VanDerWaalsContact CG2-CG 3.41Å; T52-D70 WeakPolarHBondContact CG2-OD1 3.38Å; T52-D70 WeakPolarHBondContact CG2-OD2 3.33Å
53	P	64.9	Low	64.8	Low	26 Å²	26	85 Å²	85	17%	0.169	46%	0.459	C	S	.	.	S	Bend	trans	-73.8	-4.5	-179.4	30.5	-33.5	0	0	0	113.7	T55	P53-T55 PolarHBondContact O-N 3.15Å
54	F	70.4	Confident	66.8	Low	8 Å²	8	83.1 Å²	83.1	4%	0.035	45%	0.452	C	S	.	.			trans	-100.7	64.5	-172.9	-55.1	-80.8	0	0	0	113.3	T52 A66 D69 D70 K206 Q209	T52-F54 PolarHBondContact O-N 3.2Å; F54-A66 HydrophobicContact CB-CB 3.65Å; F54-A66 HydrophobicContact CG-CB 4.23Å; F54-D69 HydrophobicContact CE2-CB 3.99Å; F54-D69 HydrophobicContact CZ-CB 3.85Å; F54-D70 WeakPolarHBondContact CD2-OD1 3.5Å; F54-D70 WeakPolarHBondContact CE2-OD1 3.28Å; F54-K206 HydrophobicContact CD1-CD 4.15Å; F54-K206 HydrophobicContact CD1-CG 4.44Å; F54-K206 HydrophobicContact CE1-CB 3.91Å; F54-K206 HydrophobicContact CE1-CD 3.6Å; F54-K206 HydrophobicContact CE1-CG 3.43Å; F54-K206 VanDerWaalsContact CE1-CG 3.43Å; F54-K206 HydrophobicContact CZ-CB 4.46Å; F54-K206 HydrophobicContact CZ-CG 4.06Å; F54-Q209 VanDerWaalsContact CD1-OE1 3.23Å; F54-Q209 VanDerWaalsContact CE1-OE1 3.32Å
55	T	65.8	Low	68.6	Low	62 Å²	62	81.7 Å²	81.7	38%	0.38	44%	0.436	S	S	.	.			trans	-84.7	-23.1	-174.5	54.1	0	0	0	0	114.5	P48 P53 T57	P48-T55 HydrophobicContact CB-CG2 4.45Å; P48-T55 VanDerWaalsContact CD-CG2 3.44Å; P48-T55 HydrophobicContact CG-CG2 3.03Å; P53-T55 PolarHBondContact O-N 3.15Å; T55-T57 PolarHBondContact O-N 2.97Å
56	K	66.8	Low	70.4	Confident	173 Å²	173	73 Å²	73	75%	0.752	40%	0.398	S	S	*	.			trans	-93.9	90.5	-177.1	-62.4	-179.5	-177	175.9	0	109
57	T	69.6	Low	72.4	Confident	44 Å²	44	71.4 Å²	71.4	27%	0.27	39%	0.385	S	S	.	.			trans	-127.2	118.2	175.6	55	0	0	0	0	108.6	T55 E62 Y63 A66	T55-T57 PolarHBondContact O-N 2.97Å; T57-E62 HydrophobicContact CG2-CB 4.45Å; T57-Y63 HydrophobicContact CG2-CD2 4.4Å; T57-A66 HydrophobicContact CG2-CB 3.97Å
58	S	70.1	Confident	74.2	Confident	116 Å²	116	69.6 Å²	69.6	81%	0.811	38%	0.378	S	S	*	.			trans	-95	-22.1	-178.2	63.8	0	0	0	0	113	E62	S58-E62 PolarHBondContact N-OE2 3.44Å; S58-E62 VanDerWaalsContact N-OE2 3.12Å; S58-E62 PolarHBondContact OG-OE2 2.95Å; S58-E62 VanDerWaalsContact OG-OE2 3.13Å
59	S	80.8	Confident	76	Confident	49 Å²	49	67.3 Å²	67.3	34%	0.343	36%	0.363	S	S	.	.	S	Bend	trans	-123.6	156	-178.4	70.3	0	0	0	0	112.2	A61 E62 Y63	S59-A61 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact O-N 3.03Å; S59-E62 WeakPolarHBondContact OG-CB 3.49Å; S59-E62 WeakPolarHBondContact OG-CG 2.89Å; S59-E62 PolarHBondContact OG-N 3.36Å; S59-E62 VanDerWaalsContact OG-N 3.16Å; S59-Y63 PolarHBondContact O-N 3.32Å
60	M	83.9	Confident	77.9	Confident	171 Å²	171	56 Å²	56	84%	0.842	32%	0.322	S	S	*	.	H	α-helix	trans	-59.5	-36	175.8	-170.7	175.6	84.9	0	0	111.9	Y63 A64	M60-Y63 PolarHBondContact O-N 2.97Å; M60-A64 PolarHBondContact O-N 3.4Å
61	A	85.4	Confident	79.5	Confident	41 Å²	41	57.5 Å²	57.5	34%	0.339	33%	0.326	S	S	.	.	H	α-helix	trans	-64.1	-48.6	175.8	0	0	0	0	0	111.5	S59 Y63 A64 L65	S59-A61 PolarHBondContact O-N 3.4Å; A61-Y63 VanDerWaalsContact C-N 3.27Å; A61-Y63 PolarHBondContact O-N 3.49Å; A61-A64 PolarHBondContact O-N 3.16Å; A61-L65 WeakPolarHBondContact O-CG 3.38Å; A61-L65 PolarHBondContact O-N 3.19Å
62	E	84.1	Confident	80.8	Confident	27 Å²	27	58.8 Å²	58.8	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-35.5	176.8	-75.5	-171.8	148	0	0	112.6	T57 S58 S59 A66 R213	T57-E62 HydrophobicContact CG2-CB 4.45Å; S58-E62 PolarHBondContact N-OE2 3.44Å; S58-E62 VanDerWaalsContact N-OE2 3.12Å; S58-E62 PolarHBondContact OG-OE2 2.95Å; S58-E62 VanDerWaalsContact OG-OE2 3.13Å; S59-E62 PolarHBondContact O-N 3.03Å; S59-E62 WeakPolarHBondContact OG-CB 3.49Å; S59-E62 WeakPolarHBondContact OG-CG 2.89Å; S59-E62 PolarHBondContact OG-N 3.36Å; S59-E62 VanDerWaalsContact OG-N 3.16Å; E62-A66 VanDerWaalsContact O-CB 3.29Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.11Å; E62-R213 IonicContact OE1-CZ 2.79Å; E62-R213 IonicContact OE1-NH1 3.13Å; E62-R213 PolarHBondContact OE1-NH1 3.46Å; E62-R213 VanDerWaalsContact OE1-NH1 3.08Å; E62-R213 IonicContact OE1-NH2 3.17Å; E62-R213 PolarHBondContact OE1-NH2 3.47Å
63	Y	86.7	Confident	82	Confident	117 Å²	117	58 Å²	58	46%	0.459	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-47.6	175.1	-175.1	-93.1	0	0	0	112	T57 S59 M60 A61 L65 A66 R67	T57-Y63 HydrophobicContact CG2-CD2 4.4Å; S59-Y63 PolarHBondContact O-N 3.32Å; M60-Y63 PolarHBondContact O-N 2.97Å; A61-Y63 VanDerWaalsContact C-N 3.27Å; A61-Y63 PolarHBondContact O-N 3.49Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 2.97Å; Y63-A66 WeakPolarHBondContact O-CB 3.21Å; Y63-A66 PolarHBondContact O-N 3.25Å; Y63-R67 HydrophobicContact CD1-CG 4.16Å; Y63-R67 HydrophobicContact CE1-CG 3.76Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.49Å
64	A	88.1	Confident	83.3	Confident	58 Å²	58	64.9 Å²	64.9	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176.2	0	0	0	0	0	111.7	M60 A61 A66 R67 A68	M60-A64 PolarHBondContact O-N 3.4Å; A61-A64 PolarHBondContact O-N 3.16Å; A64-A66 PolarHBondContact O-N 2.88Å; A64-R67 PolarHBondContact O-N 3.21Å; A64-A68 PolarHBondContact O-N 3.21Å
65	L	88.3	Confident	84.3	Confident	28 Å²	28	68 Å²	68	15%	0.147	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-37.1	177	-62.8	166.4	0	0	0	112	A61 Y63 A68 D69 V208 Q209 Y212	A61-L65 WeakPolarHBondContact O-CG 3.38Å; A61-L65 PolarHBondContact O-N 3.19Å; Y63-L65 VanDerWaalsContact C-N 3.32Å; Y63-L65 PolarHBondContact O-N 2.97Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-D69 PolarHBondContact O-N 3.31Å; L65-V208 HydrophobicContact CB-CG1 4.21Å; L65-V208 HydrophobicContact CD2-CG1 3.42Å; L65-V208 VanDerWaalsContact CD2-CG1 3.42Å; L65-V208 HydrophobicContact CG-CG1 4.38Å; L65-Q209 HydrophobicContact CB-CG 4.19Å; L65-Y212 HydrophobicContact CD1-CD1 3.49Å; L65-Y212 VanDerWaalsContact CD1-CD1 3.49Å; L65-Y212 HydrophobicContact CD1-CD2 3.9Å; L65-Y212 HydrophobicContact CD1-CE1 4.15Å; L65-Y212 HydrophobicContact CD1-CG 3.34Å
66	A	87.6	Confident	85.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-60.3	-47.5	173.4	0	0	0	0	0	111.8	F54 T57 E62 Y63 A64 A68 D69 D70	F54-A66 HydrophobicContact CB-CB 3.65Å; F54-A66 HydrophobicContact CG-CB 4.23Å; T57-A66 HydrophobicContact CG2-CB 3.97Å; E62-A66 VanDerWaalsContact O-CB 3.29Å; E62-A66 WeakPolarHBondContact O-CB 3.49Å; E62-A66 PolarHBondContact O-N 3.11Å; Y63-A66 WeakPolarHBondContact O-CB 3.21Å; Y63-A66 PolarHBondContact O-N 3.25Å; A64-A66 PolarHBondContact O-N 2.88Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 3.12Å; A66-D69 PolarHBondContact O-N 2.98Å; A66-D70 PolarHBondContact O-N 2.94Å
67	R	87.7	Confident	86.7	Confident	66 Å²	66	63.4 Å²	63.4	25%	0.249	33%	0.333	C	S	.	.	H	α-helix	trans	-62.8	-37.4	176.1	-63.7	-63.2	85.8	146.3	2	112	T52 Y63 A64 D70 I71	T52-R67 VanDerWaalsContact CG2-NH2 3.32Å; T52-R67 PolarHBondContact OG1-NH2 3.28Å; Y63-R67 HydrophobicContact CD1-CG 4.16Å; Y63-R67 HydrophobicContact CE1-CG 3.76Å; Y63-R67 WeakPolarHBondContact O-CG 3.49Å; Y63-R67 PolarHBondContact O-N 3.49Å; A64-R67 PolarHBondContact O-N 3.21Å; R67-D70 IonicContact CZ-OD2 3.27Å; R67-D70 VanDerWaalsContact CZ-OD2 3.27Å; R67-D70 IonicContact NE-OD2 3.26Å; R67-D70 PolarHBondContact NE-OD2 2.71Å; R67-D70 IonicContact NH2-OD2 2.77Å; R67-D70 PolarHBondContact NH2-OD2 3.44Å; R67-D70 WeakPolarHBondContact O-CB 3.28Å; R67-D70 PolarHBondContact O-N 3.46Å; R67-I71 WeakPolarHBondContact O-CG1 3.21Å; R67-I71 PolarHBondContact O-N 3.18Å; R67-I71 VanDerWaalsContact O-N 3.11Å
68	A	89.9	Confident	87.7	Confident	37 Å²	37	63.3 Å²	63.3	31%	0.306	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-46.4	174.9	0	0	0	0	0	112	A64 L65 A66 D70 I71 I72 V208	A64-A68 PolarHBondContact O-N 3.21Å; L65-A68 PolarHBondContact O-N 3.22Å; A66-A68 VanDerWaalsContact C-N 3.31Å; A66-A68 PolarHBondContact O-N 3.12Å; A68-D70 VanDerWaalsContact C-N 3.33Å; A68-D70 PolarHBondContact O-N 3.3Å; A68-I71 PolarHBondContact O-N 3.43Å; A68-I72 WeakPolarHBondContact O-CD1 3.5Å; A68-I72 VanDerWaalsContact O-CG1 3.28Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 3.08Å; A68-V208 HydrophobicContact CB-CG1 4.48Å
69	D	88.7	Confident	88.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-61.2	-40.5	174.4	-91.1	-34.8	0	0	0	111.5	F54 L65 A66 I71 I72 N73 R207 V208 Q209	F54-D69 HydrophobicContact CE2-CB 3.99Å; F54-D69 HydrophobicContact CZ-CB 3.85Å; L65-D69 PolarHBondContact O-N 3.31Å; A66-D69 PolarHBondContact O-N 2.98Å; D69-I71 PolarHBondContact O-N 2.86Å; D69-I72 PolarHBondContact O-N 3.49Å; D69-N73 VanDerWaalsContact O-CB 3.27Å; D69-N73 WeakPolarHBondContact O-CB 3.34Å; D69-N73 PolarHBondContact O-N 3.19Å; D69-N73 PolarHBondContact O-ND2 2.97Å; D69-R207 PolarHBondContact OD1-N 3.08Å; D69-R207 VanDerWaalsContact OD1-N 3.08Å; D69-R207 PolarHBondContact OD2-N 3.22Å; D69-V208 WeakPolarHBondContact OD1-CB 3.37Å; D69-V208 WeakPolarHBondContact OD1-CG2 3.29Å; D69-V208 PolarHBondContact OD1-N 3.5Å; D69-V208 PolarHBondContact OD2-N 3.19Å; D69-Q209 WeakPolarHBondContact OD2-CG 3.47Å; D69-Q209 PolarHBondContact OD2-N 3.23Å
70	D	88.8	Confident	89.3	Confident	24 Å²	24	57.6 Å²	57.6	13%	0.128	30%	0.301	C	S	.	.	H	α-helix	trans	-57.2	-47.7	176.2	-77.1	-46.3	0	0	0	112	T52 F54 A66 R67 A68 W74	T52-D70 WeakPolarHBondContact CB-OD1 3.45Å; T52-D70 WeakPolarHBondContact CB-OD2 3.18Å; T52-D70 HydrophobicContact CG2-CB 4.3Å; T52-D70 VanDerWaalsContact CG2-CG 3.41Å; T52-D70 WeakPolarHBondContact CG2-OD1 3.38Å; T52-D70 WeakPolarHBondContact CG2-OD2 3.33Å; F54-D70 WeakPolarHBondContact CD2-OD1 3.5Å; F54-D70 WeakPolarHBondContact CE2-OD1 3.28Å; A66-D70 PolarHBondContact O-N 2.94Å; R67-D70 IonicContact CZ-OD2 3.27Å; R67-D70 VanDerWaalsContact CZ-OD2 3.27Å; R67-D70 IonicContact NE-OD2 3.26Å; R67-D70 PolarHBondContact NE-OD2 2.71Å; R67-D70 IonicContact NH2-OD2 2.77Å; R67-D70 PolarHBondContact NH2-OD2 3.44Å; R67-D70 WeakPolarHBondContact O-CB 3.28Å; R67-D70 PolarHBondContact O-N 3.46Å; A68-D70 VanDerWaalsContact C-N 3.33Å; A68-D70 PolarHBondContact O-N 3.3Å; D70-W74 WeakPolarHBondContact O-CB 3.36Å; D70-W74 PolarHBondContact O-N 3.08Å
71	I	91.9	Very high	89.8	Confident	110 Å²	110	54.5 Å²	54.5	56%	0.564	28%	0.28	S	S	*	.	H	α-helix	trans	-65.4	-48.2	179.2	-66.4	167.6	0	0	0	110.7	R67 A68 D69 N73 W74 T75	R67-I71 WeakPolarHBondContact O-CG1 3.21Å; R67-I71 PolarHBondContact O-N 3.18Å; R67-I71 VanDerWaalsContact O-N 3.11Å; A68-I71 PolarHBondContact O-N 3.43Å; D69-I71 PolarHBondContact O-N 2.86Å; I71-N73 VanDerWaalsContact C-N 3.33Å; I71-N73 PolarHBondContact O-N 3.13Å; I71-W74 WeakPolarHBondContact O-CB 3.41Å; I71-W74 PolarHBondContact O-N 2.82Å; I71-T75 PolarHBondContact O-N 3.3Å; I71-T75 PolarHBondContact O-OG1 3.41Å
72	I	92.2	Very high	90.2	Very high	58 Å²	58	52.7 Å²	52.7	30%	0.297	27%	0.265	S	S	.	.	H	α-helix	trans	-61.2	-43.6	-178.5	-69.2	166.3	0	0	0	111	A68 D69 T75 R76 V208	A68-I72 WeakPolarHBondContact O-CD1 3.5Å; A68-I72 VanDerWaalsContact O-CG1 3.28Å; A68-I72 WeakPolarHBondContact O-CG1 3.2Å; A68-I72 PolarHBondContact O-N 3.08Å; D69-I72 PolarHBondContact O-N 3.49Å; I72-T75 PolarHBondContact O-N 2.91Å; I72-R76 VanDerWaalsContact CG2-CZ 3.43Å; I72-R76 WeakPolarHBondContact O-CG 3.32Å; I72-R76 PolarHBondContact O-N 3.09Å; I72-V208 HydrophobicContact CD1-CG2 3.67Å
73	N	90.9	Very high	90.7	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.011	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-33.2	179.1	-67.6	-23.1	0	0	0	112	D69 I71 R76 R77 I202 K203 S205	D69-N73 VanDerWaalsContact O-CB 3.27Å; D69-N73 WeakPolarHBondContact O-CB 3.34Å; D69-N73 PolarHBondContact O-N 3.19Å; D69-N73 PolarHBondContact O-ND2 2.97Å; I71-N73 VanDerWaalsContact C-N 3.33Å; I71-N73 PolarHBondContact O-N 3.13Å; N73-R76 PolarHBondContact O-N 3.03Å; N73-R77 WeakPolarHBondContact O-CB 3.4Å; N73-R77 WeakPolarHBondContact O-CG 3.32Å; N73-R77 PolarHBondContact O-N 2.9Å; N73-I202 VanDerWaalsContact CG-O 3.27Å; N73-I202 PolarHBondContact ND2-O 3.45Å; N73-I202 PolarHBondContact OD1-O 3.47Å; N73-K203 PolarHBondContact ND2-O 3.44Å; N73-S205 PolarHBondContact ND2-O 3.23Å
74	W	91.1	Very high	90.9	Very high	171 Å²	171	48.5 Å²	48.5	65%	0.648	26%	0.255	S	S	*	.	H	α-helix	trans	-62.5	-43.5	173.1	179	85.4	0	0	0	111.7	D70 I71 R77 G78	D70-W74 WeakPolarHBondContact O-CB 3.36Å; D70-W74 PolarHBondContact O-N 3.08Å; I71-W74 WeakPolarHBondContact O-CB 3.41Å; I71-W74 PolarHBondContact O-N 2.82Å; W74-R77 WeakPolarHBondContact O-CG 3.45Å; W74-G78 PolarHBondContact O-N 3.11Å; W74-G78 VanDerWaalsContact O-N 3.16Å
75	T	92.7	Very high	91.1	Very high	75 Å²	75	46.7 Å²	46.7	46%	0.46	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-51	174.1	-54.4	0	0	0	0	110.9	I71 I72 R77 G78 S79	I71-T75 PolarHBondContact O-N 3.3Å; I71-T75 PolarHBondContact O-OG1 3.41Å; I72-T75 PolarHBondContact O-N 2.91Å; T75-R77 PolarHBondContact O-N 2.71Å; T75-G78 PolarHBondContact O-N 3Å; T75-S79 PolarHBondContact O-N 3.29Å; T75-S79 PolarHBondContact O-OG 3.45Å
76	R	91.9	Very high	91.4	Very high	58 Å²	58	47.4 Å²	47.4	22%	0.219	25%	0.25	C	S	.	.	H	α-helix	trans	-62	-39.8	-177.8	-74.3	175.8	179.4	153	8.9	114.1	I72 N73 G78 W147 I202 R207	I72-R76 VanDerWaalsContact CG2-CZ 3.43Å; I72-R76 WeakPolarHBondContact O-CG 3.32Å; I72-R76 PolarHBondContact O-N 3.09Å; N73-R76 PolarHBondContact O-N 3.03Å; R76-G78 VanDerWaalsContact C-N 3.33Å; R76-W147 HydrophobicContact CB-CH2 4.31Å; R76-I202 HydrophobicContact CB-CG2 3.85Å; R76-R207 VanDerWaalsContact CZ-NH1 3.31Å
77	R	91	Very high	91.7	Very high	79 Å²	79	49.8 Å²	49.8	30%	0.298	26%	0.263	S	S	.	.	H	α-helix	trans	-73.4	-28.4	179	78	-177	-173.6	131	4.9	112.2	N73 W74 T75 Q199 I202	N73-R77 WeakPolarHBondContact O-CB 3.4Å; N73-R77 WeakPolarHBondContact O-CG 3.32Å; N73-R77 PolarHBondContact O-N 2.9Å; W74-R77 WeakPolarHBondContact O-CG 3.45Å; T75-R77 PolarHBondContact O-N 2.71Å; R77-Q199 HydrophobicContact CB-CB 4.15Å; R77-Q199 HydrophobicContact CB-CG 4.17Å; R77-Q199 PolarHBondContact O-NE2 3.4Å; R77-I202 HydrophobicContact CB-CB 4.48Å; R77-I202 HydrophobicContact CB-CG2 4.16Å
78	G	90.5	Very high	92	Very high	42 Å²	42	48.4 Å²	48.4	43%	0.433	27%	0.266	S	S	.	.	H	α-helix	trans	-83.1	-14.1	-177.4	0	0	0	0	0	114	W74 T75 R76 G108	W74-G78 PolarHBondContact O-N 3.11Å; W74-G78 VanDerWaalsContact O-N 3.16Å; T75-G78 PolarHBondContact O-N 3Å; R76-G78 VanDerWaalsContact C-N 3.33Å; G78-G108 WeakPolarHBondContact O-CA 3.41Å
79	S	92.3	Very high	92.3	Very high	43 Å²	43	49.9 Å²	49.9	30%	0.301	27%	0.273	S	S	.	.	S	Bend	trans	-132.5	72.2	176.6	65.1	0	0	0	0	110.1	T75	T75-S79 PolarHBondContact O-N 3.29Å; T75-S79 PolarHBondContact O-OG 3.45Å
80	L	91.6	Very high	92.7	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-93.5	110.3	178.1	-81.8	173.1	0	0	0	109.5	P82 G108 V109 V110 W147 L198 Q199 I202	L80-P82 WeakPolarHBondContact O-CD 3.27Å; L80-G108 PolarHBondContact N-O 3.06Å; L80-V109 HydrophobicContact CB-CG2 4.34Å; L80-V109 VanDerWaalsContact O-CA 3.23Å; L80-V109 WeakPolarHBondContact O-CA 3.46Å; L80-V109 WeakPolarHBondContact O-CG1 3.31Å; L80-V110 PolarHBondContact O-N 3.38Å; L80-W147 HydrophobicContact CD2-CE3 3.93Å; L80-W147 HydrophobicContact CD2-CZ3 3.81Å; L80-L198 HydrophobicContact CD1-CD2 4.4Å; L80-Q199 HydrophobicContact CD1-CG 3.62Å; L80-I202 HydrophobicContact CD1-CD1 4.16Å; L80-I202 HydrophobicContact CD2-CD1 3.64Å; L80-I202 HydrophobicContact CG-CD1 4.35Å
81	W	94.8	Very high	93	Very high	106 Å²	106	49.6 Å²	49.6	40%	0.402	27%	0.273	S	S	.	.			trans	-102.4	95.9	179.6	-62.4	-13.5	0	0	0	111.3	V110 A118 D119 C120	W81-V110 WeakPolarHBondContact CA-O 3.5Å; W81-A118 WeakPolarHBondContact O-CA 3.41Å; W81-D119 PolarHBondContact O-N 3.33Å; W81-C120 PolarHBondContact O-N 2.94Å
82	P	93.7	Very high	93.2	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	137.7	177.9	28.9	-36.1	0	0	0	112.1	L80 M104 V109 V110 F111 R112 C120 I122	L80-P82 WeakPolarHBondContact O-CD 3.27Å; P82-M104 HydrophobicContact CG-CE 4.05Å; P82-V109 HydrophobicContact CG-CG1 3.49Å; P82-V109 VanDerWaalsContact CG-CG1 3.49Å; P82-V110 WeakPolarHBondContact CD-O 3.25Å; P82-F111 HydrophobicContact CB-CD1 4.22Å; P82-F111 HydrophobicContact CB-CE1 4.17Å; P82-F111 HydrophobicContact CG-CD1 3.68Å; P82-F111 HydrophobicContact CG-CE1 3.75Å; P82-F111 WeakPolarHBondContact O-CA 3.44Å; P82-R112 PolarHBondContact O-N 3.4Å; P82-C120 CarbonylContact C-O 3.6Å; P82-C120 VanDerWaalsContact CA-O 3.29Å; P82-C120 WeakPolarHBondContact CA-O 3.22Å; P82-C120 HydrophobicContact CB-CB 4.27Å; P82-I122 HydrophobicContact CB-CD1 3.64Å; P82-I122 HydrophobicContact CB-CG1 3.86Å; P82-I122 HydrophobicContact CG-CD1 4.22Å
83	L	93.7	Very high	93.3	Very high	9 Å²	9	48 Å²	48	5%	0.047	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113	156.6	-177.5	133.8	0	0	0	108.5	F85 P115 A118 C120 M121 I122 I138	L83-F85 HydrophobicContact CD2-CB 4.35Å; L83-F85 HydrophobicContact CD2-CD2 4.22Å; L83-F85 PolarHBondContact O-N 3.19Å; L83-P115 VanDerWaalsContact CD1-CA 3.43Å; L83-P115 HydrophobicContact CD1-CB 3.65Å; L83-P115 HydrophobicContact CD1-CG 4.29Å; L83-A118 HydrophobicContact CB-CB 3.73Å; L83-C120 PolarHBondContact N-O 3.23Å; L83-M121 HydrophobicContact CD2-CG 3.98Å; L83-M121 HydrophobicContact CD2-SD 4.41Å; L83-I122 PolarHBondContact O-N 3.29Å; L83-I138 HydrophobicContact CD1-CG2 4.15Å; L83-I138 HydrophobicContact CD2-CG2 3.89Å
84	S	92.8	Very high	93.5	Very high	47 Å²	47	48.4 Å²	48.4	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111.9	175.2	53.3	0	0	0	0	110.5	M94	S84-M94 VanDerWaalsContact CB-SD 3.59Å
85	F	92.2	Very high	93.6	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	77.1	172.8	-153	-109.1	0	0	0	110	L83 L87 I122 A124 M131 L135 I138	L83-F85 HydrophobicContact CD2-CB 4.35Å; L83-F85 HydrophobicContact CD2-CD2 4.22Å; L83-F85 PolarHBondContact O-N 3.19Å; F85-L87 HydrophobicContact CD1-CD1 3.68Å; F85-L87 HydrophobicContact CD1-CD2 3.71Å; F85-L87 HydrophobicContact CD1-CG 3.6Å; F85-L87 HydrophobicContact CE1-CD1 3.77Å; F85-L87 HydrophobicContact CE1-CD2 3.48Å; F85-L87 VanDerWaalsContact CE1-CD2 3.48Å; F85-L87 HydrophobicContact CE1-CG 3.83Å; F85-L87 HydrophobicContact CZ-CD2 4.27Å; F85-L87 PolarHBondContact O-N 3.43Å; F85-I122 WeakPolarHBondContact CA-O 3.47Å; F85-I122 VanDerWaalsContact CB-O 3.29Å; F85-I122 WeakPolarHBondContact CB-O 3.2Å; F85-I122 PolarHBondContact N-O 3.48Å; F85-A124 PolarHBondContact O-N 3.39Å; F85-M131 HydrophobicContact CE1-CE 3.89Å; F85-M131 HydrophobicContact CE1-CG 4.12Å; F85-M131 HydrophobicContact CE2-CE 3.93Å; F85-M131 HydrophobicContact CZ-CE 3.22Å; F85-M131 HydrophobicContact CZ-CG 4.19Å; F85-M131 HydrophobicContact CZ-SD 4.44Å; F85-L135 HydrophobicContact CD1-CD1 3.89Å; F85-L135 HydrophobicContact CE1-CB 3.96Å; F85-L135 HydrophobicContact CE1-CD1 3.65Å; F85-L135 HydrophobicContact CE1-CG 4.21Å; F85-L135 HydrophobicContact CZ-CB 4.05Å; F85-I138 HydrophobicContact CD2-CD1 4.24Å; F85-I138 HydrophobicContact CE2-CD1 3.42Å; F85-I138 VanDerWaalsContact CE2-CD1 3.42Å; F85-I138 HydrophobicContact CZ-CD1 4.15Å
86	G	93.8	Very high	93.7	Very high	43 Å²	43	47.1 Å²	47.1	44%	0.443	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.2	-178.2	0	0	0	0	0	112.5
87	L	93.4	Very high	93.8	Very high	51 Å²	51	44.3 Å²	44.3	27%	0.267	25%	0.253	S	S	.	.			trans	-101.5	-31.8	-176	-67	178.2	0	0	0	114.1	F85 V123 A124 T126 V127 M131	F85-L87 HydrophobicContact CD1-CD1 3.68Å; F85-L87 HydrophobicContact CD1-CD2 3.71Å; F85-L87 HydrophobicContact CD1-CG 3.6Å; F85-L87 HydrophobicContact CE1-CD1 3.77Å; F85-L87 HydrophobicContact CE1-CD2 3.48Å; F85-L87 VanDerWaalsContact CE1-CD2 3.48Å; F85-L87 HydrophobicContact CE1-CG 3.83Å; F85-L87 HydrophobicContact CZ-CD2 4.27Å; F85-L87 PolarHBondContact O-N 3.43Å; L87-V123 HydrophobicContact CD1-CG1 4.28Å; L87-A124 PolarHBondContact N-O 2.96Å; L87-T126 VanDerWaalsContact CD1-O 3.3Å; L87-T126 WeakPolarHBondContact CD1-O 3.44Å; L87-V127 HydrophobicContact CD1-CG2 3.77Å; L87-M131 HydrophobicContact CD2-CE 4.13Å; L87-M131 HydrophobicContact CD2-CG 4.04Å
88	A	94.8	Very high	93.9	Very high	37 Å²	37	42.7 Å²	42.7	31%	0.306	26%	0.256	S	S	.	.	S	Bend	trans	-151.1	-153.3	-173.3	0	0	0	0	0	111.5	C90 A91 A124 T126	A88-C90 PolarHBondContact O-N 2.87Å; A88-C90 VanDerWaalsContact O-N 3.14Å; A88-A91 WeakPolarHBondContact O-CB 3.23Å; A88-A91 PolarHBondContact O-N 3.27Å; A88-A124 PolarHBondContact N-O 2.68Å; A88-T126 HydrophobicContact CB-CG2 4.18Å
89	C	96.8	Very high	94	Very high	67 Å²	67	42.2 Å²	42.2	45%	0.453	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28	-177.8	55.5	0	0	0	0	114.9	A91 I92	C89-A91 PolarHBondContact O-N 3.29Å; C89-I92 WeakPolarHBondContact O-CB 3.41Å; C89-I92 PolarHBondContact O-N 3.32Å; C89-I92 VanDerWaalsContact O-N 3.11Å
90	C	95.5	Very high	94.1	Very high	5 Å²	5	46.3 Å²	46.3	3%	0.034	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-22.8	174.6	-63.9	0	0	0	0	112.4	A88 I92 E93 M94 A124 M151	A88-C90 PolarHBondContact O-N 2.87Å; A88-C90 VanDerWaalsContact O-N 3.14Å; C90-I92 PolarHBondContact O-N 3.48Å; C90-E93 PolarHBondContact O-N 3.26Å; C90-M94 PolarHBondContact O-N 3Å; C90-A124 HydrophobicContact CB-CB 4.09Å; C90-M151 HydrophobicContact CB-CE 4.14Å; C90-M151 HydrophobicContact CB-CG 4.12Å; C90-M151 HydrophobicContact CB-SD 3.87Å; C90-M151 WeakPolarHBondContact O-CE 3.46Å
91	A	95.2	Very high	94.2	Very high	13 Å²	13	56 Å²	56	11%	0.107	31%	0.31	C	S	.	.	H	α-helix	trans	-64.5	-29.9	175.3	0	0	0	0	0	112.7	A88 C89 M94 M95	A88-A91 WeakPolarHBondContact O-CB 3.23Å; A88-A91 PolarHBondContact O-N 3.27Å; C89-A91 PolarHBondContact O-N 3.29Å; A91-M94 HydrophobicContact CB-CE 4.27Å; A91-M94 WeakPolarHBondContact O-CB 2.97Å; A91-M94 PolarHBondContact O-N 3Å; A91-M95 WeakPolarHBondContact O-CG 3.46Å; A91-M95 PolarHBondContact O-N 3.08Å
92	I	95.9	Very high	94.1	Very high	95 Å²	95	53.6 Å²	53.6	49%	0.487	30%	0.301	S	S	.	.	H	α-helix	trans	-70	-44.4	177.6	-60.5	171.3	0	0	0	109.9	C89 C90 M94 M95 H96	C89-I92 WeakPolarHBondContact O-CB 3.41Å; C89-I92 PolarHBondContact O-N 3.32Å; C89-I92 VanDerWaalsContact O-N 3.11Å; C90-I92 PolarHBondContact O-N 3.48Å; I92-M94 PolarHBondContact O-N 3.21Å; I92-M95 CarbonylContact O-C 3.53Å; I92-M95 WeakPolarHBondContact O-CA 3.39Å; I92-M95 WeakPolarHBondContact O-CB 3.38Å; I92-M95 PolarHBondContact O-N 3.27Å; I92-H96 PolarHBondContact O-N 2.88Å
93	E	95.8	Very high	93.9	Very high	41 Å²	41	56.5 Å²	56.5	19%	0.192	32%	0.317	C	S	.	.	H	α-helix	trans	-66	-29.9	174.7	-73.5	-61.1	127.2	0	0	112.1	C90 M95 H96 F97 M151 P185 P186 A188	C90-E93 PolarHBondContact O-N 3.26Å; E93-M95 VanDerWaalsContact C-N 3.35Å; E93-H96 PolarHBondContact O-N 3.33Å; E93-H96 IonicContact OE1-CE1 2.86Å; E93-H96 IonicContact OE1-ND1 3.38Å; E93-H96 PolarHBondContact OE1-ND1 2.92Å; E93-H96 IonicContact OE2-ND1 3.08Å; E93-F97 PolarHBondContact O-N 3.35Å; E93-M151 HydrophobicContact CB-CE 3.69Å; E93-P185 HydrophobicContact CB-CB 4.4Å; E93-P185 HydrophobicContact CG-CB 3.75Å; E93-P185 HydrophobicContact CG-CG 3.7Å; E93-P186 VanDerWaalsContact CB-O 3.3Å; E93-P186 WeakPolarHBondContact CB-O 3.25Å; E93-P186 VanDerWaalsContact CG-O 3.26Å; E93-P186 WeakPolarHBondContact CG-O 3.49Å; E93-A188 PolarHBondContact OE2-N 2.63Å
94	M	93.9	Very high	93.8	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.049	32%	0.317	C	S	.	.	H	α-helix	trans	-67.6	-33.3	170.4	-175.7	176	53.7	0	0	112.2	S84 C90 A91 I92 F97 A98 F111 I122 A124 M151	S84-M94 VanDerWaalsContact CB-SD 3.59Å; C90-M94 PolarHBondContact O-N 3Å; A91-M94 HydrophobicContact CB-CE 4.27Å; A91-M94 WeakPolarHBondContact O-CB 2.97Å; A91-M94 PolarHBondContact O-N 3Å; I92-M94 PolarHBondContact O-N 3.21Å; M94-F97 WeakPolarHBondContact O-CB 3.42Å; M94-F97 PolarHBondContact O-N 3.49Å; M94-A98 PolarHBondContact O-N 3.49Å; M94-F111 HydrophobicContact CG-CE1 4.15Å; M94-F111 HydrophobicContact CG-CE2 4.34Å; M94-F111 HydrophobicContact CG-CZ 3.52Å; M94-F111 HydrophobicContact SD-CE1 4Å; M94-F111 HydrophobicContact SD-CZ 3.99Å; M94-I122 HydrophobicContact SD-CB 4.29Å; M94-I122 HydrophobicContact SD-CG2 3.99Å; M94-A124 HydrophobicContact CE-CB 3.84Å; M94-A124 HydrophobicContact SD-CB 4.06Å; M94-M151 HydrophobicContact CB-CE 4.31Å; M94-M151 HydrophobicContact CB-SD 4.16Å
95	M	94.4	Very high	93.8	Very high	129 Å²	129	58.9 Å²	58.9	64%	0.635	33%	0.326	S	S	*	.	H	α-helix	trans	-70.1	-37.5	170.3	-66.5	170.9	-174.9	0	0	111.5	A91 I92 E93 F97 A98 A99	A91-M95 WeakPolarHBondContact O-CG 3.46Å; A91-M95 PolarHBondContact O-N 3.08Å; I92-M95 CarbonylContact O-C 3.53Å; I92-M95 WeakPolarHBondContact O-CA 3.39Å; I92-M95 WeakPolarHBondContact O-CB 3.38Å; I92-M95 PolarHBondContact O-N 3.27Å; E93-M95 VanDerWaalsContact C-N 3.35Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.02Å; M95-A98 CarbonylContact O-C 3.44Å; M95-A98 WeakPolarHBondContact O-CA 3.35Å; M95-A98 WeakPolarHBondContact O-CB 3.21Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-A98 VanDerWaalsContact O-N 3.08Å; M95-A99 PolarHBondContact O-N 3.18Å
96	H	94.9	Very high	93.7	Very high	89 Å²	89	67.8 Å²	67.8	41%	0.412	36%	0.359	S	S	.	.	H	α-helix	trans	-64.4	-35.2	172.9	-70.4	165.6	0	0	0	112.3	I92 E93 A98 A99 Y102 A188	I92-H96 PolarHBondContact O-N 2.88Å; E93-H96 PolarHBondContact O-N 3.33Å; E93-H96 IonicContact OE1-CE1 2.86Å; E93-H96 IonicContact OE1-ND1 3.38Å; E93-H96 PolarHBondContact OE1-ND1 2.92Å; E93-H96 IonicContact OE2-ND1 3.08Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.08Å; H96-A99 WeakPolarHBondContact O-CB 3.46Å; H96-A99 PolarHBondContact O-N 3.12Å; H96-A99 VanDerWaalsContact O-N 3.09Å; H96-Y102 WeakPolarHBondContact O-CD2 3.47Å; H96-A188 HydrophobicContact CB-CB 4.06Å
97	F	93	Very high	93.5	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.2	-33.6	170.1	167.6	-110.3	0	0	0	112.8	E93 M94 M95 A99 M104 F111 A188 L191 L192 V195	E93-F97 PolarHBondContact O-N 3.35Å; M94-F97 WeakPolarHBondContact O-CB 3.42Å; M94-F97 PolarHBondContact O-N 3.49Å; M95-F97 VanDerWaalsContact C-N 3.31Å; M95-F97 PolarHBondContact O-N 3.02Å; F97-A99 VanDerWaalsContact C-N 3.34Å; F97-M104 HydrophobicContact CD1-CB 3.84Å; F97-M104 HydrophobicContact CD1-CE 4.28Å; F97-M104 HydrophobicContact CD1-CG 4.26Å; F97-M104 HydrophobicContact CD1-SD 3.49Å; F97-M104 WeakPolarHBondContact CD1-SD 3.48Å; F97-M104 HydrophobicContact CD2-CB 4.27Å; F97-M104 HydrophobicContact CE1-CB 3.28Å; F97-M104 HydrophobicContact CE1-CE 3.67Å; F97-M104 HydrophobicContact CE1-CG 3.95Å; F97-M104 HydrophobicContact CE1-SD 3.4Å; F97-M104 WeakPolarHBondContact CE1-SD 3.47Å; F97-M104 HydrophobicContact CE2-CB 3.74Å; F97-M104 HydrophobicContact CG-CB 4.32Å; F97-M104 HydrophobicContact CZ-CB 3.22Å; F97-M104 HydrophobicContact CZ-CG 4.35Å; F97-M104 HydrophobicContact CZ-SD 4.35Å; F97-M104 PolarHBondContact O-N 3.17Å; F97-F111 HydrophobicContact CD1-CZ 4.22Å; F97-F111 HydrophobicContact CE1-CZ 4.46Å; F97-A188 HydrophobicContact CB-CB 4.25Å; F97-L191 HydrophobicContact CB-CD2 3.9Å; F97-L191 HydrophobicContact CD1-CD2 3.31Å; F97-L191 HydrophobicContact CD2-CD2 3.49Å; F97-L191 VanDerWaalsContact CD2-CD2 3.49Å; F97-L191 HydrophobicContact CE1-CD2 3.5Å; F97-L191 VanDerWaalsContact CE1-CD2 3.5Å; F97-L191 HydrophobicContact CE2-CD2 3.7Å; F97-L191 HydrophobicContact CG-CD2 3.28Å; F97-L191 HydrophobicContact CZ-CD2 3.69Å; F97-L192 HydrophobicContact CD2-CB 4.06Å; F97-L192 HydrophobicContact CE2-CB 3.85Å; F97-L192 HydrophobicContact CE2-CD1 3.82Å; F97-L192 HydrophobicContact CE2-CG 4.43Å; F97-V195 HydrophobicContact CZ-CG2 4.01Å
98	A	93.1	Very high	93.3	Very high	44 Å²	44	67.4 Å²	67.4	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-80.3	-13.5	173.5	0	0	0	0	0	113.9	M94 M95 H96 M104 F111	M94-A98 PolarHBondContact O-N 3.49Å; M95-A98 CarbonylContact O-C 3.44Å; M95-A98 WeakPolarHBondContact O-CA 3.35Å; M95-A98 WeakPolarHBondContact O-CB 3.21Å; M95-A98 PolarHBondContact O-N 2.94Å; M95-A98 VanDerWaalsContact O-N 3.08Å; H96-A98 VanDerWaalsContact C-N 3.25Å; H96-A98 PolarHBondContact O-N 3.08Å; A98-M104 HydrophobicContact CB-SD 3.77Å; A98-F111 HydrophobicContact CB-CD2 4.42Å; A98-F111 HydrophobicContact CB-CE2 3.91Å
99	A	93.5	Very high	93.1	Very high	32 Å²	32	65.8 Å²	65.8	26%	0.264	34%	0.336	S	S	.	.	S	Bend	trans	-72.6	157.5	-176.8	0	0	0	0	0	110.7	M95 H96 F97 R101 Y102 D103	M95-A99 PolarHBondContact O-N 3.18Å; H96-A99 WeakPolarHBondContact O-CB 3.46Å; H96-A99 PolarHBondContact O-N 3.12Å; H96-A99 VanDerWaalsContact O-N 3.09Å; F97-A99 VanDerWaalsContact C-N 3.34Å; A99-R101 PolarHBondContact O-N 3.21Å; A99-Y102 PolarHBondContact O-N 3.38Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; A99-D103 PolarHBondContact O-N 3.43Å
100	P	93.9	Very high	92.8	Very high	130 Å²	130	65.6 Å²	65.6	84%	0.844	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14	-173.4	22.5	-36.1	0	0	0	115.1
101	R	94.3	Very high	92.5	Very high	205 Å²	205	68.3 Å²	68.3	77%	0.774	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-43.1	176.6	-177.3	177.2	-68.3	175	1.1	112.6	A99	A99-R101 PolarHBondContact O-N 3.21Å
102	Y	91.6	Very high	92.3	Very high	56 Å²	56	72.4 Å²	72.4	22%	0.22	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-20.4	-175.9	-58.1	-66.2	0	0	0	113	H96 A99 M104 A188 E189	H96-Y102 WeakPolarHBondContact O-CD2 3.47Å; A99-Y102 PolarHBondContact O-N 3.38Å; A99-Y102 VanDerWaalsContact O-N 3.12Å; Y102-M104 PolarHBondContact O-N 3.45Å; Y102-A188 HydrophobicContact CD2-CB 3.41Å; Y102-A188 VanDerWaalsContact CD2-CB 3.41Å; Y102-A188 HydrophobicContact CE2-CB 3.4Å; Y102-A188 HydrophobicContact CG-CB 4.23Å; Y102-E189 HydrophobicContact CD1-CG 4.05Å; Y102-E189 HydrophobicContact CE1-CG 3.28Å
103	D	90.6	Very high	92	Very high	65 Å²	65	72.3 Å²	72.3	35%	0.348	37%	0.37	S	S	.	.			trans	33.5	80.9	172.4	-175.3	24.3	0	0	0	114.4	A99 D105 R106	A99-D103 PolarHBondContact O-N 3.43Å; D103-D105 PolarHBondContact O-N 3.4Å; D103-D105 WeakPolarHBondContact OD1-CB 3.47Å; D103-D105 PolarHBondContact OD1-N 3.46Å; D103-R106 WeakPolarHBondContact O-CB 3.49Å; D103-R106 PolarHBondContact O-N 3.26Å
104	M	91.3	Very high	91.8	Very high	8 Å²	8	72 Å²	72	4%	0.039	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-58.4	-25.5	175.6	65.2	-173.9	-82.4	0	0	114.4	P82 F97 A98 Y102 R106 F107 V109 F111	P82-M104 HydrophobicContact CG-CE 4.05Å; F97-M104 HydrophobicContact CD1-CB 3.84Å; F97-M104 HydrophobicContact CD1-CE 4.28Å; F97-M104 HydrophobicContact CD1-CG 4.26Å; F97-M104 HydrophobicContact CD1-SD 3.49Å; F97-M104 WeakPolarHBondContact CD1-SD 3.48Å; F97-M104 HydrophobicContact CD2-CB 4.27Å; F97-M104 HydrophobicContact CE1-CB 3.28Å; F97-M104 HydrophobicContact CE1-CE 3.67Å; F97-M104 HydrophobicContact CE1-CG 3.95Å; F97-M104 HydrophobicContact CE1-SD 3.4Å; F97-M104 WeakPolarHBondContact CE1-SD 3.47Å; F97-M104 HydrophobicContact CE2-CB 3.74Å; F97-M104 HydrophobicContact CG-CB 4.32Å; F97-M104 HydrophobicContact CZ-CB 3.22Å; F97-M104 HydrophobicContact CZ-CG 4.35Å; F97-M104 HydrophobicContact CZ-SD 4.35Å; F97-M104 PolarHBondContact O-N 3.17Å; A98-M104 HydrophobicContact CB-SD 3.77Å; Y102-M104 PolarHBondContact O-N 3.45Å; M104-R106 PolarHBondContact O-N 2.97Å; M104-F107 PolarHBondContact O-N 2.9Å; M104-F107 VanDerWaalsContact O-N 3.08Å; M104-V109 HydrophobicContact CB-CB 4.26Å; M104-V109 HydrophobicContact CE-CB 4Å; M104-V109 HydrophobicContact CE-CG1 3.48Å; M104-V109 VanDerWaalsContact CE-CG1 3.48Å; M104-V109 WeakPolarHBondContact CE-O 3.33Å; M104-V109 WeakPolarHBondContact O-CB 3.4Å; M104-V109 PolarHBondContact O-N 3.43Å; M104-F111 HydrophobicContact CE-CD1 4.01Å; M104-F111 HydrophobicContact CE-CD2 3.55Å; M104-F111 HydrophobicContact CE-CE1 3.85Å; M104-F111 HydrophobicContact CE-CE2 3.42Å; M104-F111 VanDerWaalsContact CE-CE2 3.42Å; M104-F111 HydrophobicContact CE-CG 3.85Å; M104-F111 HydrophobicContact CE-CZ 3.55Å; M104-F111 HydrophobicContact SD-CD2 3.54Å; M104-F111 VanDerWaalsContact SD-CD2 3.54Å; M104-F111 HydrophobicContact SD-CE1 4.47Å; M104-F111 HydrophobicContact SD-CE2 3.07Å; M104-F111 WeakPolarHBondContact SD-CE2 3.38Å; M104-F111 HydrophobicContact SD-CG 4.43Å; M104-F111 HydrophobicContact SD-CZ 3.59Å; M104-F111 VanDerWaalsContact SD-CZ 3.59Å
105	D	91.8	Very high	91.8	Very high	98 Å²	98	72.6 Å²	72.6	52%	0.524	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-65.9	-30.2	-177.7	-167.7	50.9	0	0	0	111.3	D103 F107 G108 V110	D103-D105 PolarHBondContact O-N 3.4Å; D103-D105 WeakPolarHBondContact OD1-CB 3.47Å; D103-D105 PolarHBondContact OD1-N 3.46Å; D105-F107 PolarHBondContact O-N 3Å; D105-F107 VanDerWaalsContact O-N 3.08Å; D105-G108 WeakPolarHBondContact O-CA 3.07Å; D105-G108 PolarHBondContact O-N 3.27Å; D105-V110 VanDerWaalsContact OD1-CG2 3.28Å; D105-V110 WeakPolarHBondContact OD1-CG2 3.4Å
106	R	90.5	Very high	91.7	Very high	205 Å²	205	74.7 Å²	74.7	77%	0.774	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-54.9	-29.5	172.5	-175.6	177.1	175.6	-178.9	0	113.6	D103 M104 G108	D103-R106 WeakPolarHBondContact O-CB 3.49Å; D103-R106 PolarHBondContact O-N 3.26Å; M104-R106 PolarHBondContact O-N 2.97Å; R106-G108 VanDerWaalsContact C-N 3.34Å
107	F	90	Very high	91.6	Very high	63 Å²	63	75 Å²	75	28%	0.276	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-92.9	8	178.7	-60.9	-77.3	0	0	0	113.2	M104 D105 V109 L192 L196 Q199	M104-F107 PolarHBondContact O-N 2.9Å; M104-F107 VanDerWaalsContact O-N 3.08Å; D105-F107 PolarHBondContact O-N 3Å; D105-F107 VanDerWaalsContact O-N 3.08Å; F107-V109 VanDerWaalsContact C-N 3.33Å; F107-V109 HydrophobicContact CB-CG2 3.97Å; F107-L192 HydrophobicContact CD2-CD1 3.62Å; F107-L192 HydrophobicContact CE2-CD1 3.36Å; F107-L192 HydrophobicContact CE2-CD2 4.09Å; F107-L192 HydrophobicContact CE2-CG 4.35Å; F107-L192 HydrophobicContact CG-CD1 4.43Å; F107-L192 HydrophobicContact CZ-CD1 3.99Å; F107-L192 HydrophobicContact CZ-CD2 4.42Å; F107-L196 HydrophobicContact CD1-CD2 3.94Å; F107-L196 HydrophobicContact CE1-CD2 3.96Å; F107-Q199 PolarHBondContact O-NE2 2.97Å
108	G	87.8	Confident	91.6	Very high	23 Å²	23	75 Å²	75	24%	0.237	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	25.6	-175	0	0	0	0	0	113	G78 L80 D105 R106	G78-G108 WeakPolarHBondContact O-CA 3.41Å; L80-G108 PolarHBondContact N-O 3.06Å; D105-G108 WeakPolarHBondContact O-CA 3.07Å; D105-G108 PolarHBondContact O-N 3.27Å; R106-G108 VanDerWaalsContact C-N 3.34Å
109	V	90.4	Very high	91.7	Very high	4 Å²	4	74.8 Å²	74.8	2%	0.024	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-104	110.2	-177	-167.7	0	0	0	0	109.9	L80 P82 M104 F107 V195	L80-V109 HydrophobicContact CB-CG2 4.34Å; L80-V109 VanDerWaalsContact O-CA 3.23Å; L80-V109 WeakPolarHBondContact O-CA 3.46Å; L80-V109 WeakPolarHBondContact O-CG1 3.31Å; P82-V109 HydrophobicContact CG-CG1 3.49Å; P82-V109 VanDerWaalsContact CG-CG1 3.49Å; M104-V109 HydrophobicContact CB-CB 4.26Å; M104-V109 HydrophobicContact CE-CB 4Å; M104-V109 HydrophobicContact CE-CG1 3.48Å; M104-V109 VanDerWaalsContact CE-CG1 3.48Å; M104-V109 WeakPolarHBondContact CE-O 3.33Å; M104-V109 WeakPolarHBondContact O-CB 3.4Å; M104-V109 PolarHBondContact O-N 3.43Å; F107-V109 VanDerWaalsContact C-N 3.33Å; F107-V109 HydrophobicContact CB-CG2 3.97Å; V109-V195 HydrophobicContact CG2-CG1 3.94Å
110	V	90.6	Very high	91.7	Very high	63 Å²	63	73.4 Å²	73.4	38%	0.382	36%	0.36	S	S	.	.			trans	-121.7	127.1	-176.1	-177.8	0	0	0	0	109.9	L80 W81 P82 D105 R112	L80-V110 PolarHBondContact O-N 3.38Å; W81-V110 WeakPolarHBondContact CA-O 3.5Å; P82-V110 WeakPolarHBondContact CD-O 3.25Å; D105-V110 VanDerWaalsContact OD1-CG2 3.28Å; D105-V110 WeakPolarHBondContact OD1-CG2 3.4Å; V110-R112 PolarHBondContact O-N 3.36Å
111	F	90.7	Very high	91.7	Very high	62 Å²	62	67.2 Å²	67.2	27%	0.272	32%	0.32	S	S	.	.			trans	-67.8	131.3	176.8	-76.4	-56.7	0	0	0	112	P82 M94 F97 A98 M104 I122	P82-F111 HydrophobicContact CB-CD1 4.22Å; P82-F111 HydrophobicContact CB-CE1 4.17Å; P82-F111 HydrophobicContact CG-CD1 3.68Å; P82-F111 HydrophobicContact CG-CE1 3.75Å; P82-F111 WeakPolarHBondContact O-CA 3.44Å; M94-F111 HydrophobicContact CG-CE1 4.15Å; M94-F111 HydrophobicContact CG-CE2 4.34Å; M94-F111 HydrophobicContact CG-CZ 3.52Å; M94-F111 HydrophobicContact SD-CE1 4Å; M94-F111 HydrophobicContact SD-CZ 3.99Å; F97-F111 HydrophobicContact CD1-CZ 4.22Å; F97-F111 HydrophobicContact CE1-CZ 4.46Å; A98-F111 HydrophobicContact CB-CD2 4.42Å; A98-F111 HydrophobicContact CB-CE2 3.91Å; M104-F111 HydrophobicContact CE-CD1 4.01Å; M104-F111 HydrophobicContact CE-CD2 3.55Å; M104-F111 HydrophobicContact CE-CE1 3.85Å; M104-F111 HydrophobicContact CE-CE2 3.42Å; M104-F111 VanDerWaalsContact CE-CE2 3.42Å; M104-F111 HydrophobicContact CE-CG 3.85Å; M104-F111 HydrophobicContact CE-CZ 3.55Å; M104-F111 HydrophobicContact SD-CD2 3.54Å; M104-F111 VanDerWaalsContact SD-CD2 3.54Å; M104-F111 HydrophobicContact SD-CE1 4.47Å; M104-F111 HydrophobicContact SD-CE2 3.07Å; M104-F111 WeakPolarHBondContact SD-CE2 3.38Å; M104-F111 HydrophobicContact SD-CG 4.43Å; M104-F111 HydrophobicContact SD-CZ 3.59Å; M104-F111 VanDerWaalsContact SD-CZ 3.59Å; F111-I122 HydrophobicContact CE1-CD1 4.23Å
112	R	90.5	Very high	91.8	Very high	99 Å²	99	57.6 Å²	57.6	37%	0.374	28%	0.284	S	S	.	.			trans	-121.6	124.2	175.3	-155.3	70.9	-179.6	101.3	3.3	110.9	P82 V110 S114 Q117	P82-R112 PolarHBondContact O-N 3.4Å; V110-R112 PolarHBondContact O-N 3.36Å; R112-S114 VanDerWaalsContact C-N 3.35Å; R112-Q117 HydrophobicContact CG-CB 4.27Å; R112-Q117 VanDerWaalsContact CZ-OE1 3.25Å
113	A	88.8	Confident	92	Very high	92 Å²	92	55 Å²	55	76%	0.76	27%	0.274	S	S	*	.	S	Bend	trans	-71.5	-29.2	178.9	0	0	0	0	0	113.1
114	S	92.5	Very high	92.2	Very high	35 Å²	35	51.9 Å²	51.9	25%	0.245	26%	0.257	C	S	.	.			trans	-88.5	123.8	-178.7	60	0	0	0	0	111.4	R112 R116 Q117	R112-S114 VanDerWaalsContact C-N 3.35Å; S114-R116 PolarHBondContact O-N 3.41Å; S114-Q117 PolarHBondContact O-N 3.24Å
115	P	93.1	Very high	92.4	Very high	22 Å²	22	51.5 Å²	51.5	14%	0.143	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.1	-25.9	177.8	20.8	-30.2	0	0	0	113.9	L83 Q117 A118 I138 M142	L83-P115 VanDerWaalsContact CD1-CA 3.43Å; L83-P115 HydrophobicContact CD1-CB 3.65Å; L83-P115 HydrophobicContact CD1-CG 4.29Å; P115-Q117 PolarHBondContact O-N 3.25Å; P115-Q117 VanDerWaalsContact O-N 3.15Å; P115-A118 PolarHBondContact O-N 3.15Å; P115-I138 HydrophobicContact CB-CG2 3.9Å; P115-I138 HydrophobicContact CG-CG2 4.34Å; P115-M142 HydrophobicContact CB-CG 3.99Å; P115-M142 WeakPolarHBondContact O-CG 3.34Å
116	R	93.3	Very high	92.6	Very high	174 Å²	174	48.1 Å²	48.1	66%	0.657	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-67.5	-15	-175.9	-61.6	-177.5	-177.3	-82.5	1.4	114.2	S114	S114-R116 PolarHBondContact O-N 3.41Å
117	Q	92.7	Very high	92.8	Very high	96 Å²	96	38.4 Å²	38.4	45%	0.449	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-120.8	5.3	-179.5	-63.1	178.6	-8	0	0	111.9	R112 S114 P115	R112-Q117 HydrophobicContact CG-CB 4.27Å; R112-Q117 VanDerWaalsContact CZ-OE1 3.25Å; S114-Q117 PolarHBondContact O-N 3.24Å; P115-Q117 PolarHBondContact O-N 3.25Å; P115-Q117 VanDerWaalsContact O-N 3.15Å
118	A	93.7	Very high	93.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.			trans	-96.6	139.5	-176.4	0	0	0	0	0	110.9	W81 L83 P115 M142	W81-A118 WeakPolarHBondContact O-CA 3.41Å; L83-A118 HydrophobicContact CB-CB 3.73Å; P115-A118 PolarHBondContact O-N 3.15Å; A118-M142 HydrophobicContact CB-CE 4.22Å; A118-M142 WeakPolarHBondContact O-CE 3.29Å
119	D	93.8	Very high	93.5	Very high	38 Å²	38	40.7 Å²	40.7	20%	0.203	21%	0.213	C	C	.	.	S	Bend	trans	-100.8	-24.7	179.1	-57.6	-52.8	0	0	0	112	W81 K146 W147	W81-D119 PolarHBondContact O-N 3.33Å; D119-K146 CarbonylContact O-C 3.51Å; D119-K146 WeakPolarHBondContact O-CA 3.03Å; D119-W147 HydrophobicContact CB-CE3 4.34Å; D119-W147 HydrophobicContact CB-CZ3 4.07Å; D119-W147 PolarHBondContact O-N 3.35Å
120	C	93.3	Very high	93.8	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	149.5	177.9	-175.8	0	0	0	0	110	W81 P82 L83 W147	W81-C120 PolarHBondContact O-N 2.94Å; P82-C120 CarbonylContact C-O 3.6Å; P82-C120 VanDerWaalsContact CA-O 3.29Å; P82-C120 WeakPolarHBondContact CA-O 3.22Å; P82-C120 HydrophobicContact CB-CB 4.27Å; L83-C120 PolarHBondContact N-O 3.23Å; C120-W147 CarbonylContact C-O 3.48Å; C120-W147 VanDerWaalsContact CA-O 3.26Å; C120-W147 WeakPolarHBondContact CA-O 3.22Å
121	M	95	Very high	94	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.6	170.8	-176.3	170.4	123.8	0	0	109.1	L83 V123 L135 I138 Y139 M142 W147 V148 I149 I175	L83-M121 HydrophobicContact CD2-CG 3.98Å; L83-M121 HydrophobicContact CD2-SD 4.41Å; M121-V123 HydrophobicContact CE-CG2 3.41Å; M121-V123 VanDerWaalsContact CE-CG2 3.41Å; M121-V123 HydrophobicContact CG-CG2 4.38Å; M121-L135 HydrophobicContact CE-CD1 4.04Å; M121-L135 HydrophobicContact CE-CD2 4.34Å; M121-L135 HydrophobicContact CE-CG 3.76Å; M121-I138 HydrophobicContact SD-CG2 4.36Å; M121-Y139 HydrophobicContact SD-CD2 4.45Å; M121-M142 HydrophobicContact CB-CE 3.99Å; M121-M142 HydrophobicContact CB-SD 3.82Å; M121-M142 HydrophobicContact CG-SD 4.44Å; M121-M142 HydrophobicContact SD-SD 4.12Å; M121-W147 PolarHBondContact N-O 3.34Å; M121-V148 HydrophobicContact CB-CG2 4.41Å; M121-V148 WeakPolarHBondContact O-CA 3.43Å; M121-I149 PolarHBondContact O-N 2.76Å; M121-I175 HydrophobicContact CE-CD1 3.39Å; M121-I175 HydrophobicContact SD-CD1 4.34Å
122	I	95.5	Very high	94.2	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.4	175.7	-57.1	-179.4	0	0	0	107.7	P82 L83 F85 M94 F111 A124 I149 M151 L191	P82-I122 HydrophobicContact CB-CD1 3.64Å; P82-I122 HydrophobicContact CB-CG1 3.86Å; P82-I122 HydrophobicContact CG-CD1 4.22Å; L83-I122 PolarHBondContact O-N 3.29Å; F85-I122 WeakPolarHBondContact CA-O 3.47Å; F85-I122 VanDerWaalsContact CB-O 3.29Å; F85-I122 WeakPolarHBondContact CB-O 3.2Å; F85-I122 PolarHBondContact N-O 3.48Å; M94-I122 HydrophobicContact SD-CB 4.29Å; M94-I122 HydrophobicContact SD-CG2 3.99Å; F111-I122 HydrophobicContact CE1-CD1 4.23Å; I122-A124 HydrophobicContact CG2-CB 4.39Å; I122-A124 PolarHBondContact O-N 3.14Å; I122-I149 WeakPolarHBondContact CA-O 3.48Å; I122-I149 HydrophobicContact CG1-CB 4.3Å; I122-I149 HydrophobicContact CG1-CD1 4.37Å; I122-M151 HydrophobicContact CG2-CB 4.16Å; I122-M151 HydrophobicContact CG2-SD 4.44Å; I122-L191 HydrophobicContact CG2-CD1 4.36Å
123	V	95.6	Very high	94.5	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.7	175.1	-170.1	0	0	0	0	109.1	L87 M121 V127 L135 V148 I149 M151 A155 C171	L87-V123 HydrophobicContact CD1-CG1 4.28Å; M121-V123 HydrophobicContact CE-CG2 3.41Å; M121-V123 VanDerWaalsContact CE-CG2 3.41Å; M121-V123 HydrophobicContact CG-CG2 4.38Å; V123-V127 HydrophobicContact CG1-CG2 3.92Å; V123-L135 HydrophobicContact CG1-CD1 3.87Å; V123-L135 HydrophobicContact CG2-CD1 4.19Å; V123-V148 HydrophobicContact CG2-CG1 4.35Å; V123-I149 PolarHBondContact N-O 2.84Å; V123-M151 WeakPolarHBondContact O-CB 3.12Å; V123-M151 PolarHBondContact O-N 2.72Å; V123-A155 HydrophobicContact CG1-CB 4.36Å; V123-C171 WeakPolarHBondContact CG1-SG 3.42Å
124	A	95.4	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	81.1	-173.7	0	0	0	0	0	111.5	F85 L87 A88 C90 M94 I122 M151	F85-A124 PolarHBondContact O-N 3.39Å; L87-A124 PolarHBondContact N-O 2.96Å; A88-A124 PolarHBondContact N-O 2.68Å; C90-A124 HydrophobicContact CB-CB 4.09Å; M94-A124 HydrophobicContact CE-CB 3.84Å; M94-A124 HydrophobicContact SD-CB 4.06Å; I122-A124 HydrophobicContact CG2-CB 4.39Å; I122-A124 PolarHBondContact O-N 3.14Å; A124-M151 HydrophobicContact CB-CB 4.37Å; A124-M151 HydrophobicContact CB-SD 3.61Å
125	G	95.4	Very high	94.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	21%	0.211	C	C	.	.	S	Bend	trans	134.2	-164.5	170.3	0	0	0	0	0	115.1	A155	G125-A155 WeakPolarHBondContact O-CB 3.28Å
126	T	96.2	Very high	95	Very high	26 Å²	26	45.2 Å²	45.2	16%	0.16	22%	0.222	C	C	.	.			trans	-75.6	127.7	-175.9	-171.9	0	0	0	0	112.1	L87 A88 V167	L87-T126 VanDerWaalsContact CD1-O 3.3Å; L87-T126 WeakPolarHBondContact CD1-O 3.44Å; A88-T126 HydrophobicContact CB-CG2 4.18Å; T126-V167 VanDerWaalsContact OG1-CG1 3.32Å; T126-V167 WeakPolarHBondContact OG1-CG1 3.43Å
127	V	94.9	Very high	95.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.222	C	C	.	.			trans	-91.7	111	174	179.7	0	0	0	0	109	L87 V123 L135 V168 C171 L174	L87-V127 HydrophobicContact CD1-CG2 3.77Å; V123-V127 HydrophobicContact CG1-CG2 3.92Å; V127-L135 HydrophobicContact CG1-CD1 4.44Å; V127-L135 HydrophobicContact CG2-CD1 3.83Å; V127-V168 HydrophobicContact CG1-CB 4.37Å; V127-V168 HydrophobicContact CG1-CG2 4.02Å; V127-V168 PolarHBondContact O-N 3.25Å; V127-C171 WeakPolarHBondContact CG2-SG 3.47Å; V127-L174 HydrophobicContact CG1-CD1 4.26Å
128	T	96.5	Very high	95.2	Very high	49 Å²	49	42.5 Å²	42.5	30%	0.301	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-81.7	153.5	174.4	60	0	0	0	0	111.2	K130 M131 A132 S166	T128-K130 PolarHBondContact O-N 3.02Å; T128-K130 VanDerWaalsContact O-N 3.12Å; T128-M131 PolarHBondContact O-N 3.04Å; T128-M131 WeakPolarHBondContact OG1-CB 3.41Å; T128-M131 PolarHBondContact OG1-N 3.48Å; T128-A132 PolarHBondContact O-N 2.89Å; T128-S166 CarbonylContact C-O 3.47Å; T128-S166 WeakPolarHBondContact CA-O 3.45Å; T128-S166 WeakPolarHBondContact CB-O 3.5Å
129	N	95.3	Very high	95.3	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.8	175.9	-70.1	-22.5	0	0	0	112.2	A132 Y165 S166 V168	N129-A132 WeakPolarHBondContact O-CB 3.5Å; N129-Y165 PolarHBondContact ND2-O 3.48Å; N129-S166 PolarHBondContact N-O 3.45Å; N129-V168 WeakPolarHBondContact OD1-CG2 3.29Å
130	K	97	Very high	95.4	Very high	193 Å²	193	45.9 Å²	45.9	84%	0.839	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-32.2	175.6	-169.5	173.4	-177.1	177.8	0	112.7	T128	T128-K130 PolarHBondContact O-N 3.02Å; T128-K130 VanDerWaalsContact O-N 3.12Å
131	M	96	Very high	95.4	Very high	63 Å²	63	50 Å²	50	31%	0.31	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.8	-179.3	-163.1	61.8	171.5	0	0	113.1	F85 L87 T128 A134 L135	F85-M131 HydrophobicContact CE1-CE 3.89Å; F85-M131 HydrophobicContact CE1-CG 4.12Å; F85-M131 HydrophobicContact CE2-CE 3.93Å; F85-M131 HydrophobicContact CZ-CE 3.22Å; F85-M131 HydrophobicContact CZ-CG 4.19Å; F85-M131 HydrophobicContact CZ-SD 4.44Å; L87-M131 HydrophobicContact CD2-CE 4.13Å; L87-M131 HydrophobicContact CD2-CG 4.04Å; T128-M131 PolarHBondContact O-N 3.04Å; T128-M131 WeakPolarHBondContact OG1-CB 3.41Å; T128-M131 PolarHBondContact OG1-N 3.48Å; M131-A134 HydrophobicContact CE-CB 4.38Å; M131-A134 WeakPolarHBondContact O-CB 3.46Å; M131-A134 PolarHBondContact O-N 3.29Å; M131-A134 HydrophobicContact SD-CB 4.01Å; M131-L135 PolarHBondContact O-N 3.43Å
132	A	94.4	Very high	95.5	Very high	16 Å²	16	50.2 Å²	50.2	13%	0.132	25%	0.247	C	C	.	.	H	α-helix	trans	-38.8	-55.4	176.3	0	0	0	0	0	115.3	T128 N129 A134 L135 R136 V168 L174	T128-A132 PolarHBondContact O-N 2.89Å; N129-A132 WeakPolarHBondContact O-CB 3.5Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.93Å; A132-L135 PolarHBondContact O-N 3.01Å; A132-R136 PolarHBondContact O-N 2.9Å; A132-R136 VanDerWaalsContact O-N 3.1Å; A132-V168 HydrophobicContact CB-CG2 4.35Å; A132-L174 HydrophobicContact CB-CD2 3.34Å; A132-L174 WeakPolarHBondContact O-CD2 3.39Å
133	P	95.7	Very high	95.4	Very high	68 Å²	68	52.7 Å²	52.7	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-67.2	-32.1	-179.1	26.2	-35.7	0	0	0	113.2	R137	P133-R137 WeakPolarHBondContact O-CB 3.36Å; P133-R137 WeakPolarHBondContact O-CG 3.35Å; P133-R137 PolarHBondContact O-N 3.03Å
134	A	95.5	Very high	95.3	Very high	34 Å²	34	59.8 Å²	59.8	28%	0.281	30%	0.295	S	S	.	.	H	α-helix	trans	-69.4	-44.8	178.4	0	0	0	0	0	111.1	M131 A132 R136 R137 I138	M131-A134 HydrophobicContact CE-CB 4.38Å; M131-A134 WeakPolarHBondContact O-CB 3.46Å; M131-A134 PolarHBondContact O-N 3.29Å; M131-A134 HydrophobicContact SD-CB 4.01Å; A132-A134 VanDerWaalsContact C-N 3.34Å; A132-A134 PolarHBondContact O-N 2.93Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 3.36Å; A134-R137 PolarHBondContact O-N 3.13Å; A134-I138 WeakPolarHBondContact O-CG1 3.44Å; A134-I138 PolarHBondContact O-N 3.4Å
135	L	94.8	Very high	95.1	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-44	176	175.5	142.5	0	0	0	111.2	F85 M121 V123 V127 M131 A132 I138 Y139 L174 I175	F85-L135 HydrophobicContact CD1-CD1 3.89Å; F85-L135 HydrophobicContact CE1-CB 3.96Å; F85-L135 HydrophobicContact CE1-CD1 3.65Å; F85-L135 HydrophobicContact CE1-CG 4.21Å; F85-L135 HydrophobicContact CZ-CB 4.05Å; M121-L135 HydrophobicContact CE-CD1 4.04Å; M121-L135 HydrophobicContact CE-CD2 4.34Å; M121-L135 HydrophobicContact CE-CG 3.76Å; V123-L135 HydrophobicContact CG1-CD1 3.87Å; V123-L135 HydrophobicContact CG2-CD1 4.19Å; V127-L135 HydrophobicContact CG1-CD1 4.44Å; V127-L135 HydrophobicContact CG2-CD1 3.83Å; M131-L135 PolarHBondContact O-N 3.43Å; A132-L135 PolarHBondContact O-N 3.01Å; L135-I138 PolarHBondContact O-N 3.47Å; L135-Y139 PolarHBondContact O-N 3.02Å; L135-L174 HydrophobicContact CD2-CB 3.94Å; L135-L174 HydrophobicContact CD2-CD2 4.08Å; L135-L174 HydrophobicContact CD2-CG 4.44Å; L135-I175 HydrophobicContact CD2-CD1 3.2Å; L135-I175 HydrophobicContact CD2-CG1 3.78Å; L135-I175 HydrophobicContact CG-CD1 3.84Å
136	R	94.7	Very high	95	Very high	98 Å²	98	62 Å²	62	37%	0.37	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-45.5	176.1	-178.8	64.7	-159.9	-162.4	4.3	112.7	A132 A134 I138 Y139 D140 L174	A132-R136 PolarHBondContact O-N 2.9Å; A132-R136 VanDerWaalsContact O-N 3.1Å; A134-R136 VanDerWaalsContact C-N 3.33Å; A134-R136 PolarHBondContact O-N 3.36Å; R136-I138 VanDerWaalsContact C-N 3.31Å; R136-I138 PolarHBondContact O-N 2.96Å; R136-Y139 PolarHBondContact O-N 2.98Å; R136-D140 IonicContact CZ-OD1 3.8Å; R136-D140 VanDerWaalsContact CZ-OD1 3.26Å; R136-D140 IonicContact CZ-OD2 2.72Å; R136-D140 IonicContact NE-OD1 2.96Å; R136-D140 PolarHBondContact NE-OD1 2.92Å; R136-D140 VanDerWaalsContact NE-OD1 3.13Å; R136-D140 IonicContact NE-OD2 2.69Å; R136-D140 PolarHBondContact NE-OD2 3.14Å; R136-D140 IonicContact NH2-OD1 3.76Å; R136-D140 PolarHBondContact NH2-OD1 2.8Å; R136-D140 IonicContact NH2-OD2 2.72Å; R136-D140 PolarHBondContact O-N 3.36Å; R136-L174 WeakPolarHBondContact CD-O 3.38Å; R136-L174 PolarHBondContact NH1-O 3.16Å
137	R	95.4	Very high	94.9	Very high	175 Å²	175	61.9 Å²	61.9	66%	0.66	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-41.5	178.4	-75.2	170.2	-175.2	-177.2	1.9	112.5	P133 A134 D140 Q141	P133-R137 WeakPolarHBondContact O-CB 3.36Å; P133-R137 WeakPolarHBondContact O-CG 3.35Å; P133-R137 PolarHBondContact O-N 3.03Å; A134-R137 PolarHBondContact O-N 3.13Å; R137-D140 PolarHBondContact O-N 3Å; R137-Q141 VanDerWaalsContact O-CG 3.28Å; R137-Q141 WeakPolarHBondContact O-CG 3.24Å; R137-Q141 PolarHBondContact O-N 3.41Å; R137-Q141 VanDerWaalsContact O-N 3.16Å
138	I	95.1	Very high	94.9	Very high	39 Å²	39	61.8 Å²	61.8	20%	0.2	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-44.4	179.5	-72	168.6	0	0	0	110.4	L83 F85 P115 M121 A134 L135 R136 D140 Q141 M142	L83-I138 HydrophobicContact CD1-CG2 4.15Å; L83-I138 HydrophobicContact CD2-CG2 3.89Å; F85-I138 HydrophobicContact CD2-CD1 4.24Å; F85-I138 HydrophobicContact CE2-CD1 3.42Å; F85-I138 VanDerWaalsContact CE2-CD1 3.42Å; F85-I138 HydrophobicContact CZ-CD1 4.15Å; P115-I138 HydrophobicContact CB-CG2 3.9Å; P115-I138 HydrophobicContact CG-CG2 4.34Å; M121-I138 HydrophobicContact SD-CG2 4.36Å; A134-I138 WeakPolarHBondContact O-CG1 3.44Å; A134-I138 PolarHBondContact O-N 3.4Å; L135-I138 PolarHBondContact O-N 3.47Å; R136-I138 VanDerWaalsContact C-N 3.31Å; R136-I138 PolarHBondContact O-N 2.96Å; I138-D140 PolarHBondContact O-N 2.93Å; I138-Q141 WeakPolarHBondContact O-CB 3.46Å; I138-Q141 PolarHBondContact O-N 2.9Å; I138-Q141 VanDerWaalsContact O-N 3.17Å; I138-M142 PolarHBondContact O-N 2.73Å
139	Y	95.8	Very high	94.8	Very high	22 Å²	22	59.6 Å²	59.6	9%	0.086	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-39.3	177.8	178.3	-99.5	0	0	0	113.5	M121 L135 R136 Q141 M142 K146 V148 I175 P176	M121-Y139 HydrophobicContact SD-CD2 4.45Å; L135-Y139 PolarHBondContact O-N 3.02Å; R136-Y139 PolarHBondContact O-N 2.98Å; Y139-Q141 PolarHBondContact O-N 3.36Å; Y139-M142 HydrophobicContact CD2-SD 4.4Å; Y139-M142 PolarHBondContact O-N 3.34Å; Y139-K146 HydrophobicContact CD2-CD 4.06Å; Y139-K146 HydrophobicContact CE1-CD 4.4Å; Y139-K146 HydrophobicContact CE2-CD 3.57Å; Y139-K146 HydrophobicContact CE2-CG 4.07Å; Y139-K146 WeakPolarHBondContact O-CE 3.45Å; Y139-V148 HydrophobicContact CD2-CG2 3.85Å; Y139-V148 HydrophobicContact CE2-CG2 3.43Å; Y139-V148 VanDerWaalsContact CE2-CG2 3.43Å; Y139-I175 HydrophobicContact CD1-CD1 4.32Å; Y139-I175 HydrophobicContact CD1-CG1 4.09Å; Y139-I175 HydrophobicContact CD1-CG2 3.88Å; Y139-I175 HydrophobicContact CD2-CD1 4.08Å; Y139-I175 HydrophobicContact CD2-CG1 4.49Å; Y139-I175 HydrophobicContact CD2-CG2 3.46Å; Y139-I175 VanDerWaalsContact CD2-CG2 3.46Å; Y139-I175 HydrophobicContact CE1-CG2 3.9Å; Y139-I175 HydrophobicContact CE2-CG2 3.5Å; Y139-I175 VanDerWaalsContact CE2-CG2 3.5Å; Y139-I175 HydrophobicContact CG-CB 4.45Å; Y139-I175 HydrophobicContact CG-CD1 3.66Å; Y139-I175 HydrophobicContact CG-CG1 3.93Å; Y139-I175 HydrophobicContact CG-CG2 3.66Å; Y139-P176 HydrophobicContact CE1-CG 4.31Å; Y139-P176 VanDerWaalsContact OH-CG 3.31Å; Y139-P176 WeakPolarHBondContact OH-CG 3.45Å
140	D	95.1	Very high	94.8	Very high	86 Å²	86	55.5 Å²	55.5	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-66.9	-26.6	176.1	-69.1	-33	0	0	0	112	R136 R137 I138 M142	R136-D140 IonicContact CZ-OD1 3.8Å; R136-D140 VanDerWaalsContact CZ-OD1 3.26Å; R136-D140 IonicContact CZ-OD2 2.72Å; R136-D140 IonicContact NE-OD1 2.96Å; R136-D140 PolarHBondContact NE-OD1 2.92Å; R136-D140 VanDerWaalsContact NE-OD1 3.13Å; R136-D140 IonicContact NE-OD2 2.69Å; R136-D140 PolarHBondContact NE-OD2 3.14Å; R136-D140 IonicContact NH2-OD1 3.76Å; R136-D140 PolarHBondContact NH2-OD1 2.8Å; R136-D140 IonicContact NH2-OD2 2.72Å; R136-D140 PolarHBondContact O-N 3.36Å; R137-D140 PolarHBondContact O-N 3Å; I138-D140 PolarHBondContact O-N 2.93Å; D140-M142 VanDerWaalsContact C-N 3.35Å
141	Q	95	Very high	94.7	Very high	91 Å²	91	46.3 Å²	46.3	43%	0.425	23%	0.228	S	C	.	.	H	α-helix	trans	-79.4	-12.6	175.8	-72.4	174.6	2.3	0	0	114.4	R137 I138 Y139	R137-Q141 VanDerWaalsContact O-CG 3.28Å; R137-Q141 WeakPolarHBondContact O-CG 3.24Å; R137-Q141 PolarHBondContact O-N 3.41Å; R137-Q141 VanDerWaalsContact O-N 3.16Å; I138-Q141 WeakPolarHBondContact O-CB 3.46Å; I138-Q141 PolarHBondContact O-N 2.9Å; I138-Q141 VanDerWaalsContact O-N 3.17Å; Y139-Q141 PolarHBondContact O-N 3.36Å
142	M	95.4	Very high	94.6	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.025	21%	0.213	C	C	.	.	S	Bend	trans	-76.6	135.2	179.8	-71.6	172.2	70.1	0	0	111.6	P115 A118 M121 I138 Y139 D140 K146	P115-M142 HydrophobicContact CB-CG 3.99Å; P115-M142 WeakPolarHBondContact O-CG 3.34Å; A118-M142 HydrophobicContact CB-CE 4.22Å; A118-M142 WeakPolarHBondContact O-CE 3.29Å; M121-M142 HydrophobicContact CB-CE 3.99Å; M121-M142 HydrophobicContact CB-SD 3.82Å; M121-M142 HydrophobicContact CG-SD 4.44Å; M121-M142 HydrophobicContact SD-SD 4.12Å; I138-M142 PolarHBondContact O-N 2.73Å; Y139-M142 HydrophobicContact CD2-SD 4.4Å; Y139-M142 PolarHBondContact O-N 3.34Å; D140-M142 VanDerWaalsContact C-N 3.35Å; M142-K146 HydrophobicContact CB-CB 4.39Å; M142-K146 HydrophobicContact CB-CD 3.7Å; M142-K146 HydrophobicContact CE-CB 4.08Å; M142-K146 PolarHBondContact O-NZ 3.23Å
143	P	94.9	Very high	94.6	Very high	53 Å²	53	43.6 Å²	43.6	34%	0.344	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-64.3	157.6	176.6	29.4	-35	0	0	0	111.4	P145 K146	P143-P145 CarbonylContact O-C 3.48Å; P143-K146 WeakPolarHBondContact O-CB 3.26Å
144	H	92	Very high	94.6	Very high	150 Å²	150	41 Å²	41	69%	0.694	20%	0.197	S	C	*	.	S	Bend	trans	-89.3	139.6	168.2	-74.2	-86.7	0	0	0	109.5	K146	H144-K146 PolarHBondContact CE1-NZ 3.04Å; H144-K146 VanDerWaalsContact CE1-NZ 3.34Å; H144-K146 PolarHBondContact NE2-NZ 2.93Å
145	P	91.4	Very high	94.5	Very high	24 Å²	24	39.3 Å²	39.3	16%	0.156	18%	0.184	C	C	.	.	S	Bend	cis	-78.9	136.9	3.7	32.8	-33.8	0	0	0	113.1	P143 W147	P143-P145 CarbonylContact O-C 3.48Å; P145-W147 HydrophobicContact CB-CH2 3.9Å; P145-W147 HydrophobicContact CB-CZ2 3.98Å; P145-W147 HydrophobicContact CB-CZ3 4.48Å; P145-W147 HydrophobicContact CG-CH2 3.88Å; P145-W147 HydrophobicContact CG-CZ2 4.42Å; P145-W147 HydrophobicContact CG-CZ3 4.4Å
146	K	93.4	Very high	94.4	Very high	24 Å²	24	39.9 Å²	39.9	10%	0.104	19%	0.187	C	C	.	.			trans	-125.3	145.6	174.9	54.7	-178.3	176.6	-100.8	0	111.7	D119 Y139 M142 P143 H144	D119-K146 CarbonylContact O-C 3.51Å; D119-K146 WeakPolarHBondContact O-CA 3.03Å; Y139-K146 HydrophobicContact CD2-CD 4.06Å; Y139-K146 HydrophobicContact CE1-CD 4.4Å; Y139-K146 HydrophobicContact CE2-CD 3.57Å; Y139-K146 HydrophobicContact CE2-CG 4.07Å; Y139-K146 WeakPolarHBondContact O-CE 3.45Å; M142-K146 HydrophobicContact CB-CB 4.39Å; M142-K146 HydrophobicContact CB-CD 3.7Å; M142-K146 HydrophobicContact CE-CB 4.08Å; M142-K146 PolarHBondContact O-NZ 3.23Å; P143-K146 WeakPolarHBondContact O-CB 3.26Å; H144-K146 PolarHBondContact CE1-NZ 3.04Å; H144-K146 VanDerWaalsContact CE1-NZ 3.34Å; H144-K146 PolarHBondContact NE2-NZ 2.93Å
147	W	94.1	Very high	94.2	Very high	23 Å²	23	35.8 Å²	35.8	9%	0.087	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.2	176.2	-59.5	-77.1	0	0	0	112	R76 L80 D119 C120 M121 P145 D178 L198 I202	R76-W147 HydrophobicContact CB-CH2 4.31Å; L80-W147 HydrophobicContact CD2-CE3 3.93Å; L80-W147 HydrophobicContact CD2-CZ3 3.81Å; D119-W147 HydrophobicContact CB-CE3 4.34Å; D119-W147 HydrophobicContact CB-CZ3 4.07Å; D119-W147 PolarHBondContact O-N 3.35Å; C120-W147 CarbonylContact C-O 3.48Å; C120-W147 VanDerWaalsContact CA-O 3.26Å; C120-W147 WeakPolarHBondContact CA-O 3.22Å; M121-W147 PolarHBondContact N-O 3.34Å; P145-W147 HydrophobicContact CB-CH2 3.9Å; P145-W147 HydrophobicContact CB-CZ2 3.98Å; P145-W147 HydrophobicContact CB-CZ3 4.48Å; P145-W147 HydrophobicContact CG-CH2 3.88Å; P145-W147 HydrophobicContact CG-CZ2 4.42Å; P145-W147 HydrophobicContact CG-CZ3 4.4Å; W147-D178 WeakPolarHBondContact CA-OD2 3.34Å; W147-D178 WeakPolarHBondContact CB-OD2 3.48Å; W147-L198 HydrophobicContact CB-CD1 3.99Å; W147-L198 HydrophobicContact CB-CD2 4.01Å; W147-L198 HydrophobicContact CG-CD1 3.99Å; W147-L198 HydrophobicContact CG-CD2 4.42Å; W147-I202 HydrophobicContact CD2-CD1 3.92Å; W147-I202 HydrophobicContact CD2-CG1 4.27Å; W147-I202 HydrophobicContact CE3-CD1 3.93Å; W147-I202 HydrophobicContact CH2-CD1 3.7Å; W147-I202 HydrophobicContact CH2-CG1 4.07Å; W147-I202 HydrophobicContact CZ2-CD1 3.69Å; W147-I202 HydrophobicContact CZ2-CG1 3.57Å; W147-I202 HydrophobicContact CZ2-CG2 4.39Å; W147-I202 HydrophobicContact CZ3-CD1 3.82Å
148	V	95	Very high	93.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.3	-178.4	179.8	0	0	0	0	111	M121 V123 Y139 I175 P176 V177 D178 I179	M121-V148 HydrophobicContact CB-CG2 4.41Å; M121-V148 WeakPolarHBondContact O-CA 3.43Å; V123-V148 HydrophobicContact CG2-CG1 4.35Å; Y139-V148 HydrophobicContact CD2-CG2 3.85Å; Y139-V148 HydrophobicContact CE2-CG2 3.43Å; Y139-V148 VanDerWaalsContact CE2-CG2 3.43Å; V148-I175 HydrophobicContact CB-CG2 4.45Å; V148-I175 HydrophobicContact CG1-CG2 4.3Å; V148-I175 HydrophobicContact CG2-CG2 3.65Å; V148-P176 WeakPolarHBondContact CB-O 3.44Å; V148-P176 WeakPolarHBondContact CG2-O 3.48Å; V148-V177 HydrophobicContact CG1-CG2 4.18Å; V148-D178 PolarHBondContact N-OD2 3.1Å; V148-D178 WeakPolarHBondContact O-CB 3.31Å; V148-D178 PolarHBondContact O-N 2.81Å; V148-I179 PolarHBondContact O-N 3.49Å
149	I	95	Very high	93.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.8	171.5	-59.1	174.8	0	0	0	107.7	M121 I122 V123 I179 V181 V195 L198	M121-I149 PolarHBondContact O-N 2.76Å; I122-I149 WeakPolarHBondContact CA-O 3.48Å; I122-I149 HydrophobicContact CG1-CB 4.3Å; I122-I149 HydrophobicContact CG1-CD1 4.37Å; V123-I149 PolarHBondContact N-O 2.84Å; I149-I179 WeakPolarHBondContact CA-O 3.37Å; I149-V181 HydrophobicContact CG2-CG2 3.59Å; I149-V195 HydrophobicContact CD1-CG2 4.07Å; I149-L198 HydrophobicContact CD1-CD2 3.92Å; I149-L198 HydrophobicContact CG1-CD2 4.16Å
150	S	95.1	Very high	93.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	116.1	171.6	179.7	0	0	0	0	109.3	A155 N156 I179 V181	S150-A155 WeakPolarHBondContact OG-CB 3.39Å; S150-A155 PolarHBondContact OG-O 3.1Å; S150-N156 VanDerWaalsContact CB-OD1 3.25Å; S150-N156 WeakPolarHBondContact CB-OD1 3.49Å; S150-N156 PolarHBondContact O-OD1 3.33Å; S150-N156 VanDerWaalsContact O-OD1 3.12Å; S150-N156 WeakPolarHBondContact OG-CA 3.46Å; S150-N156 PolarHBondContact OG-N 2.93Å; S150-N156 PolarHBondContact OG-OD1 3.12Å; S150-I179 PolarHBondContact N-O 2.93Å; S150-V181 PolarHBondContact O-N 3.14Å
151	M	95	Very high	93.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.3	-175.6	179.7	-165.6	-172.1	0	0	110.9	C90 E93 M94 I122 V123 A124 A155 P186 L191	C90-M151 HydrophobicContact CB-CE 4.14Å; C90-M151 HydrophobicContact CB-CG 4.12Å; C90-M151 HydrophobicContact CB-SD 3.87Å; C90-M151 WeakPolarHBondContact O-CE 3.46Å; E93-M151 HydrophobicContact CB-CE 3.69Å; M94-M151 HydrophobicContact CB-CE 4.31Å; M94-M151 HydrophobicContact CB-SD 4.16Å; I122-M151 HydrophobicContact CG2-CB 4.16Å; I122-M151 HydrophobicContact CG2-SD 4.44Å; V123-M151 WeakPolarHBondContact O-CB 3.12Å; V123-M151 PolarHBondContact O-N 2.72Å; A124-M151 HydrophobicContact CB-CB 4.37Å; A124-M151 HydrophobicContact CB-SD 3.61Å; M151-A155 WeakPolarHBondContact O-CB 3.26Å; M151-P186 HydrophobicContact CE-CG 3.61Å; M151-P186 HydrophobicContact CG-CG 3.54Å; M151-P186 HydrophobicContact SD-CG 4.44Å; M151-L191 HydrophobicContact CB-CD1 4.45Å; M151-L191 HydrophobicContact CE-CB 4.46Å; M151-L191 HydrophobicContact CE-CD1 3.44Å; M151-L191 VanDerWaalsContact CE-CD1 3.44Å; M151-L191 HydrophobicContact CG-CD1 3.84Å; M151-L191 HydrophobicContact SD-CD1 3.24Å; M151-L191 WeakPolarHBondContact SD-CD1 3.35Å
152	G	94.7	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	95.1	160.1	172.6	0	0	0	0	0	114.4	C154 A155 N156 V181 G183	G152-C154 VanDerWaalsContact C-N 3.27Å; G152-C154 PolarHBondContact O-N 2.72Å; G152-A155 PolarHBondContact O-N 3.37Å; G152-A155 VanDerWaalsContact O-N 3.08Å; G152-N156 PolarHBondContact O-N 2.77Å; G152-N156 PolarHBondContact O-ND2 2.87Å; G152-N156 PolarHBondContact O-OD1 3.31Å; G152-V181 PolarHBondContact N-O 3.08Å; G152-V181 VanDerWaalsContact N-O 3.1Å; G152-G183 CarbonylContact C-O 3.5Å; G152-G183 VanDerWaalsContact CA-O 3.24Å; G152-G183 WeakPolarHBondContact CA-O 3.48Å
153	S	93.6	Very high	93.6	Very high	21 Å²	21	43.5 Å²	43.5	15%	0.147	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-37.8	-173.4	64.1	0	0	0	0	112.8	N156 G157 G158 G159 G183 C184	S153-N156 PolarHBondContact O-N 2.88Å; S153-G157 PolarHBondContact O-N 2.83Å; S153-G158 PolarHBondContact O-N 3.34Å; S153-G159 VanDerWaalsContact C-CA 3.49Å; S153-G159 WeakPolarHBondContact O-CA 3.13Å; S153-G159 PolarHBondContact O-N 3.28Å; S153-G183 PolarHBondContact N-O 3.25Å; S153-C184 PolarHBondContact OG-SG 2.98Å
154	C	94.8	Very high	93.5	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.088	19%	0.194	C	C	.	.	H	α-helix	trans	-63.3	-41.6	176.9	-60	0	0	0	0	112.6	G152 G158	G152-C154 VanDerWaalsContact C-N 3.27Å; G152-C154 PolarHBondContact O-N 2.72Å; C154-G158 VanDerWaalsContact O-CA 3.23Å; C154-G158 WeakPolarHBondContact O-CA 3.36Å; C154-G158 PolarHBondContact O-N 3.11Å
155	A	94.1	Very high	93.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-73.1	-38.3	178	0	0	0	0	0	111.6	V123 G125 S150 M151 G152 G170 C171	V123-A155 HydrophobicContact CG1-CB 4.36Å; G125-A155 WeakPolarHBondContact O-CB 3.28Å; S150-A155 WeakPolarHBondContact OG-CB 3.39Å; S150-A155 PolarHBondContact OG-O 3.1Å; M151-A155 WeakPolarHBondContact O-CB 3.26Å; G152-A155 PolarHBondContact O-N 3.37Å; G152-A155 VanDerWaalsContact O-N 3.08Å; A155-G170 CarbonylContact O-C 3.59Å; A155-G170 WeakPolarHBondContact O-CA 3.3Å; A155-C171 VanDerWaalsContact CA-SG 3.54Å; A155-C171 PolarHBondContact O-N 3.21Å; A155-C171 PolarHBondContact O-SG 2.79Å
156	N	92.7	Very high	93.9	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	21%	0.209	C	C	.	.	H	α-helix	trans	-70.3	-44	-176.4	-60.4	-10.9	0	0	0	111.9	P32 S150 G152 S153 Y180 V181	P32-N156 HydrophobicContact CB-CB 4.21Å; S150-N156 VanDerWaalsContact CB-OD1 3.25Å; S150-N156 WeakPolarHBondContact CB-OD1 3.49Å; S150-N156 PolarHBondContact O-OD1 3.33Å; S150-N156 VanDerWaalsContact O-OD1 3.12Å; S150-N156 WeakPolarHBondContact OG-CA 3.46Å; S150-N156 PolarHBondContact OG-N 2.93Å; S150-N156 PolarHBondContact OG-OD1 3.12Å; G152-N156 PolarHBondContact O-N 2.77Å; G152-N156 PolarHBondContact O-ND2 2.87Å; G152-N156 PolarHBondContact O-OD1 3.31Å; S153-N156 PolarHBondContact O-N 2.88Å; N156-Y180 HydrophobicContact CB-CD1 3.87Å; N156-V181 PolarHBondContact ND2-O 3.24Å
157	G	90.3	Very high	93.9	Very high	11 Å²	11	46 Å²	46	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-152.8	22.4	-171.1	0	0	0	0	0	114.6	S153 G159 H162	S153-G157 PolarHBondContact O-N 2.83Å; G157-G159 PolarHBondContact O-N 3.31Å; G157-H162 PolarHBondContact O-ND1 2.88Å
158	G	89.3	Confident	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.208	C	C	.	.			trans	83.2	-21	-175.4	0	0	0	0	0	114	S153 C154 Y160 Y161 H162	S153-G158 PolarHBondContact O-N 3.34Å; C154-G158 VanDerWaalsContact O-CA 3.23Å; C154-G158 WeakPolarHBondContact O-CA 3.36Å; C154-G158 PolarHBondContact O-N 3.11Å; G158-Y160 PolarHBondContact O-N 2.69Å; G158-Y161 CarbonylContact O-C 3.46Å; G158-Y161 PolarHBondContact O-N 2.88Å; G158-Y161 VanDerWaalsContact O-N 3.1Å; G158-H162 PolarHBondContact O-N 2.96Å
159	G	92.5	Very high	93.7	Very high	14 Å²	14	51.1 Å²	51.1	14%	0.144	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	54.8	-133.6	169.1	0	0	0	0	0	112.9	S153 G157 Y161 H162	S153-G159 VanDerWaalsContact C-CA 3.49Å; S153-G159 WeakPolarHBondContact O-CA 3.13Å; S153-G159 PolarHBondContact O-N 3.28Å; G157-G159 PolarHBondContact O-N 3.31Å; G159-Y161 PolarHBondContact O-N 3.38Å; G159-Y161 VanDerWaalsContact O-N 3.16Å; G159-H162 VanDerWaalsContact O-CB 3.29Å; G159-H162 WeakPolarHBondContact O-CB 3.47Å; G159-H162 PolarHBondContact O-N 3.36Å; G159-H162 VanDerWaalsContact O-N 3.14Å
160	Y	94.6	Very high	93.5	Very high	192 Å²	192	51 Å²	51	75%	0.753	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-59	-28.5	179.6	-171.6	-105.1	0	0	0	113.2	G158	G158-Y160 PolarHBondContact O-N 2.69Å
161	Y	94.7	Very high	93.3	Very high	116 Å²	116	51.1 Å²	51.1	46%	0.455	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-99.3	18.3	-178.3	-55.3	-71.6	0	0	0	113.4	G158 G159 Y163 S164 V167	G158-Y161 CarbonylContact O-C 3.46Å; G158-Y161 PolarHBondContact O-N 2.88Å; G158-Y161 VanDerWaalsContact O-N 3.1Å; G159-Y161 PolarHBondContact O-N 3.38Å; G159-Y161 VanDerWaalsContact O-N 3.16Å; Y161-Y163 PolarHBondContact O-N 2.87Å; Y161-Y163 VanDerWaalsContact O-N 3.14Å; Y161-S164 WeakPolarHBondContact O-CB 3.47Å; Y161-S164 PolarHBondContact O-N 3.28Å; Y161-S164 PolarHBondContact O-OG 3.49Å; Y161-V167 HydrophobicContact CG-CG2 4.42Å
162	H	92.7	Very high	93.2	Very high	53 Å²	53	54.7 Å²	54.7	25%	0.245	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35	-175.3	-175.9	85.7	0	0	0	114.2	G157 G158 G159 R169	G157-H162 PolarHBondContact O-ND1 2.88Å; G158-H162 PolarHBondContact O-N 2.96Å; G159-H162 VanDerWaalsContact O-CB 3.29Å; G159-H162 WeakPolarHBondContact O-CB 3.47Å; G159-H162 PolarHBondContact O-N 3.36Å; G159-H162 VanDerWaalsContact O-N 3.14Å; H162-R169 PolarHBondContact O-NE 2.87Å
163	Y	94.7	Very high	93	Very high	205 Å²	205	62.6 Å²	62.6	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	4.9	-179.5	-59.9	-71.8	0	0	0	113.8	Y161	Y161-Y163 PolarHBondContact O-N 2.87Å; Y161-Y163 VanDerWaalsContact O-N 3.14Å
164	S	93.7	Very high	92.9	Very high	30 Å²	30	63 Å²	63	21%	0.21	28%	0.279	C	S	.	.			trans	-76	153.8	177.7	73.4	0	0	0	0	112	Y161 S166 V167	Y161-S164 WeakPolarHBondContact O-CB 3.47Å; Y161-S164 PolarHBondContact O-N 3.28Å; Y161-S164 PolarHBondContact O-OG 3.49Å; S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å; S164-V167 WeakPolarHBondContact OG-CB 3.3Å; S164-V167 VanDerWaalsContact OG-CG2 3.24Å; S164-V167 WeakPolarHBondContact OG-CG2 3.16Å; S164-V167 PolarHBondContact OG-N 3Å
165	Y	96.5	Very high	92.8	Very high	216 Å²	216	62.6 Å²	62.6	85%	0.847	28%	0.275	S	S	*	.	S	Bend	trans	-74.7	-17.8	179.2	64.1	-88.9	0	0	0	113.4	N129	N129-Y165 PolarHBondContact ND2-O 3.48Å
166	S	94.3	Very high	92.8	Very high	44 Å²	44	66 Å²	66	31%	0.308	30%	0.297	S	S	.	.	S	Bend	trans	-109.6	-5.7	-168.7	58.5	0	0	0	0	114.3	T128 N129 S164	T128-S166 CarbonylContact C-O 3.47Å; T128-S166 WeakPolarHBondContact CA-O 3.45Å; T128-S166 WeakPolarHBondContact CB-O 3.5Å; N129-S166 PolarHBondContact N-O 3.45Å; S164-S166 VanDerWaalsContact C-N 3.28Å; S164-S166 PolarHBondContact O-N 2.88Å
167	V	94.8	Very high	92.8	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.079	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-111	139.8	-176.3	176.8	0	0	0	0	111.1	T126 Y161 S164	T126-V167 VanDerWaalsContact OG1-CG1 3.32Å; T126-V167 WeakPolarHBondContact OG1-CG1 3.43Å; Y161-V167 HydrophobicContact CG-CG2 4.42Å; S164-V167 WeakPolarHBondContact OG-CB 3.3Å; S164-V167 VanDerWaalsContact OG-CG2 3.24Å; S164-V167 WeakPolarHBondContact OG-CG2 3.16Å; S164-V167 PolarHBondContact OG-N 3Å
168	V	91.6	Very high	92.9	Very high	17 Å²	17	68.2 Å²	68.2	10%	0.103	31%	0.307	C	S	.	.			trans	-76.1	134.5	171.4	-171.7	0	0	0	0	109.1	V127 N129 A132 G170 R173 L174	V127-V168 HydrophobicContact CG1-CB 4.37Å; V127-V168 HydrophobicContact CG1-CG2 4.02Å; V127-V168 PolarHBondContact O-N 3.25Å; N129-V168 WeakPolarHBondContact OD1-CG2 3.29Å; A132-V168 HydrophobicContact CB-CG2 4.35Å; V168-G170 VanDerWaalsContact CG1-O 3.32Å; V168-G170 WeakPolarHBondContact CG1-O 3.45Å; V168-G170 PolarHBondContact O-N 3.17Å; V168-R173 HydrophobicContact CG1-CB 4.17Å; V168-L174 HydrophobicContact CB-CD1 4.3Å; V168-L174 HydrophobicContact CG1-CD1 3.79Å; V168-L174 HydrophobicContact CG2-CD1 4.31Å
169	R	93	Very high	93.1	Very high	114 Å²	114	69.2 Å²	69.2	43%	0.43	31%	0.312	S	S	.	.	S	Bend	trans	-74.2	66	175.5	-60.8	175.2	-175.1	130.4	6.9	111.4	H162 R173	H162-R169 PolarHBondContact O-NE 2.87Å; R169-R173 PolarHBondContact O-NE 3.2Å
170	G	91.2	Very high	93.3	Very high	1 Å²	1	71.1 Å²	71.1	1%	0.01	32%	0.316	C	S	.	.			trans	98.2	145.2	179.7	0	0	0	0	0	114.3	A155 V168 D172	A155-G170 CarbonylContact O-C 3.59Å; A155-G170 WeakPolarHBondContact O-CA 3.3Å; V168-G170 VanDerWaalsContact CG1-O 3.32Å; V168-G170 WeakPolarHBondContact CG1-O 3.45Å; V168-G170 PolarHBondContact O-N 3.17Å; G170-D172 PolarHBondContact O-N 3.38Å
171	C	89.6	Confident	93.2	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-67.8	-23.6	176.1	-56.2	0	0	0	0	112.6	V123 V127 A155 R173 L174 I175 V177	V123-C171 WeakPolarHBondContact CG1-SG 3.42Å; V127-C171 WeakPolarHBondContact CG2-SG 3.47Å; A155-C171 VanDerWaalsContact CA-SG 3.54Å; A155-C171 PolarHBondContact O-N 3.21Å; A155-C171 PolarHBondContact O-SG 2.79Å; C171-R173 PolarHBondContact O-N 3.13Å; C171-R173 VanDerWaalsContact O-N 3.11Å; C171-L174 PolarHBondContact O-N 3.42Å; C171-I175 PolarHBondContact O-N 3.06Å; C171-I175 VanDerWaalsContact O-N 3.07Å; C171-V177 HydrophobicContact CB-CG2 4.42Å
172	D	93	Very high	93.2	Very high	76 Å²	76	60.6 Å²	60.6	41%	0.406	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-57.3	-26	179.9	-166.8	45.6	0	0	0	112.7	G170 L174 I175 V177 Y180	G170-D172 PolarHBondContact O-N 3.38Å; D172-L174 PolarHBondContact O-N 3.37Å; D172-I175 WeakPolarHBondContact CA-O 3.43Å; D172-V177 HydrophobicContact CB-CG2 4.36Å; D172-Y180 WeakPolarHBondContact CB-OH 3.45Å; D172-Y180 PolarHBondContact OD1-OH 3.24Å
173	R	91.2	Very high	93.2	Very high	165 Å²	165	59.5 Å²	59.5	62%	0.623	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68.8	-20.8	174.5	-63.5	-174.4	178.4	-153.7	-8.4	113.9	V168 R169 C171	V168-R173 HydrophobicContact CG1-CB 4.17Å; R169-R173 PolarHBondContact O-NE 3.2Å; C171-R173 PolarHBondContact O-N 3.13Å; C171-R173 VanDerWaalsContact O-N 3.11Å
174	L	91	Very high	93.2	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-39.7	-177.4	-56.5	99.2	0	0	0	112.4	V127 A132 L135 R136 V168 C171 D172	V127-L174 HydrophobicContact CG1-CD1 4.26Å; A132-L174 HydrophobicContact CB-CD2 3.34Å; A132-L174 WeakPolarHBondContact O-CD2 3.39Å; L135-L174 HydrophobicContact CD2-CB 3.94Å; L135-L174 HydrophobicContact CD2-CD2 4.08Å; L135-L174 HydrophobicContact CD2-CG 4.44Å; R136-L174 WeakPolarHBondContact CD-O 3.38Å; R136-L174 PolarHBondContact NH1-O 3.16Å; V168-L174 HydrophobicContact CB-CD1 4.3Å; V168-L174 HydrophobicContact CG1-CD1 3.79Å; V168-L174 HydrophobicContact CG2-CD1 4.31Å; C171-L174 PolarHBondContact O-N 3.42Å; D172-L174 PolarHBondContact O-N 3.37Å
175	I	92.7	Very high	93.2	Very high	3 Å²	3	55 Å²	55	2%	0.015	28%	0.284	C	S	.	.	S	Bend	trans	-140.2	139.6	-169.4	-63.7	177.6	0	0	0	108.4	M121 L135 Y139 V148 C171 D172 V177	M121-I175 HydrophobicContact CE-CD1 3.39Å; M121-I175 HydrophobicContact SD-CD1 4.34Å; L135-I175 HydrophobicContact CD2-CD1 3.2Å; L135-I175 HydrophobicContact CD2-CG1 3.78Å; L135-I175 HydrophobicContact CG-CD1 3.84Å; Y139-I175 HydrophobicContact CD1-CD1 4.32Å; Y139-I175 HydrophobicContact CD1-CG1 4.09Å; Y139-I175 HydrophobicContact CD1-CG2 3.88Å; Y139-I175 HydrophobicContact CD2-CD1 4.08Å; Y139-I175 HydrophobicContact CD2-CG1 4.49Å; Y139-I175 HydrophobicContact CD2-CG2 3.46Å; Y139-I175 VanDerWaalsContact CD2-CG2 3.46Å; Y139-I175 HydrophobicContact CE1-CG2 3.9Å; Y139-I175 HydrophobicContact CE2-CG2 3.5Å; Y139-I175 VanDerWaalsContact CE2-CG2 3.5Å; Y139-I175 HydrophobicContact CG-CB 4.45Å; Y139-I175 HydrophobicContact CG-CD1 3.66Å; Y139-I175 HydrophobicContact CG-CG1 3.93Å; Y139-I175 HydrophobicContact CG-CG2 3.66Å; V148-I175 HydrophobicContact CB-CG2 4.45Å; V148-I175 HydrophobicContact CG1-CG2 4.3Å; V148-I175 HydrophobicContact CG2-CG2 3.65Å; C171-I175 PolarHBondContact O-N 3.06Å; C171-I175 VanDerWaalsContact O-N 3.07Å; D172-I175 WeakPolarHBondContact CA-O 3.43Å; I175-V177 PolarHBondContact O-N 3.21Å
176	P	94.3	Very high	93.1	Very high	72 Å²	72	44.8 Å²	44.8	47%	0.468	24%	0.244	S	C	.	.			trans	-64.1	123.4	172.6	28.9	-36.2	0	0	0	111	Y139 V148	Y139-P176 HydrophobicContact CE1-CG 4.31Å; Y139-P176 VanDerWaalsContact OH-CG 3.31Å; Y139-P176 WeakPolarHBondContact OH-CG 3.45Å; V148-P176 WeakPolarHBondContact CB-O 3.44Å; V148-P176 WeakPolarHBondContact CG2-O 3.48Å
177	V	94.3	Very high	93.1	Very high	22 Å²	22	46.5 Å²	46.5	13%	0.133	25%	0.253	C	S	.	.			trans	-95.6	134.8	178.6	179.2	0	0	0	0	110.5	V148 C171 D172 I175 I179 Y180	V148-V177 HydrophobicContact CG1-CG2 4.18Å; C171-V177 HydrophobicContact CB-CG2 4.42Å; D172-V177 HydrophobicContact CB-CG2 4.36Å; I175-V177 PolarHBondContact O-N 3.21Å; V177-I179 VanDerWaalsContact CG1-O 3.3Å; V177-I179 WeakPolarHBondContact CG1-O 3.24Å; V177-Y180 HydrophobicContact CB-CE1 3.9Å; V177-Y180 HydrophobicContact CB-CE2 4.13Å; V177-Y180 HydrophobicContact CG1-CD1 3.92Å; V177-Y180 HydrophobicContact CG1-CD2 4.18Å; V177-Y180 HydrophobicContact CG1-CE1 3.64Å; V177-Y180 HydrophobicContact CG1-CE2 3.9Å; V177-Y180 HydrophobicContact CG1-CG 4.19Å; V177-Y180 HydrophobicContact CG2-CE1 4.16Å
178	D	92.3	Very high	93	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.251	25%	0.249	S	C	.	.	S	Bend	trans	-89.8	-39.2	177.7	-74.8	-74.8	0	0	0	113.5	W147 V148 L198 K201	W147-D178 WeakPolarHBondContact CA-OD2 3.34Å; W147-D178 WeakPolarHBondContact CB-OD2 3.48Å; V148-D178 PolarHBondContact N-OD2 3.1Å; V148-D178 WeakPolarHBondContact O-CB 3.31Å; V148-D178 PolarHBondContact O-N 2.81Å; D178-L198 HydrophobicContact CB-CD1 4.37Å; D178-K201 PolarHBondContact O-NZ 2.99Å; D178-K201 IonicContact OD1-NZ 3.96Å; D178-K201 PolarHBondContact OD1-NZ 3.14Å
179	I	93.6	Very high	93.1	Very high	21 Å²	21	50.7 Å²	50.7	11%	0.108	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	135.8	-175.5	-62.9	-177	0	0	0	109.6	V148 I149 S150 V177 A194 Q197 L198	V148-I179 PolarHBondContact O-N 3.49Å; I149-I179 WeakPolarHBondContact CA-O 3.37Å; S150-I179 PolarHBondContact N-O 2.93Å; V177-I179 VanDerWaalsContact CG1-O 3.3Å; V177-I179 WeakPolarHBondContact CG1-O 3.24Å; I179-A194 WeakPolarHBondContact CD1-O 3.5Å; I179-A194 HydrophobicContact CG2-CB 4.01Å; I179-Q197 HydrophobicContact CD1-CB 4.2Å; I179-Q197 HydrophobicContact CD1-CG 4.39Å; I179-L198 HydrophobicContact CD1-CB 3.54Å; I179-L198 HydrophobicContact CD1-CD1 3.76Å; I179-L198 HydrophobicContact CD1-CG 4.23Å; I179-L198 HydrophobicContact CG1-CD1 4.3Å
180	Y	95.4	Very high	93.2	Very high	55 Å²	55	46.6 Å²	46.6	22%	0.216	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.6	174.6	-63.5	-86.2	0	0	0	109.6	N156 D172 V177	N156-Y180 HydrophobicContact CB-CD1 3.87Å; D172-Y180 WeakPolarHBondContact CB-OH 3.45Å; D172-Y180 PolarHBondContact OD1-OH 3.24Å; V177-Y180 HydrophobicContact CB-CE1 3.9Å; V177-Y180 HydrophobicContact CB-CE2 4.13Å; V177-Y180 HydrophobicContact CG1-CD1 3.92Å; V177-Y180 HydrophobicContact CG1-CD2 4.18Å; V177-Y180 HydrophobicContact CG1-CE1 3.64Å; V177-Y180 HydrophobicContact CG1-CE2 3.9Å; V177-Y180 HydrophobicContact CG1-CG 4.19Å; V177-Y180 HydrophobicContact CG2-CE1 4.16Å
181	V	93.1	Very high	93.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113	175.1	-166.6	0	0	0	0	108.4	I149 S150 G152 N156 P186 A190 A194	I149-V181 HydrophobicContact CG2-CG2 3.59Å; S150-V181 PolarHBondContact O-N 3.14Å; G152-V181 PolarHBondContact N-O 3.08Å; G152-V181 VanDerWaalsContact N-O 3.1Å; N156-V181 PolarHBondContact ND2-O 3.24Å; V181-P186 HydrophobicContact CG1-CB 3.76Å; V181-P186 HydrophobicContact CG1-CG 4.13Å; V181-A190 HydrophobicContact CG1-CB 4.27Å; V181-A194 HydrophobicContact CB-CB 4.46Å; V181-A194 HydrophobicContact CG1-CB 4.42Å; V181-A194 HydrophobicContact CG2-CB 3.35Å
182	P	94.1	Very high	93.5	Very high	84 Å²	84	47.9 Å²	47.9	55%	0.545	27%	0.268	S	S	.	.			trans	-74.8	138.2	177.9	30	-33.6	0	0	0	111.2	P186	P182-P186 WeakPolarHBondContact O-CB 3.2Å
183	G	93.1	Very high	93.5	Very high	29 Å²	29	48.9 Å²	48.9	30%	0.299	27%	0.267	S	S	.	.			trans	151.2	165.5	175.6	0	0	0	0	0	113.9	G152 S153	G152-G183 CarbonylContact C-O 3.5Å; G152-G183 VanDerWaalsContact CA-O 3.24Å; G152-G183 WeakPolarHBondContact CA-O 3.48Å; S153-G183 PolarHBondContact N-O 3.25Å
184	C	94.9	Very high	93.6	Very high	83 Å²	83	41.3 Å²	41.3	56%	0.561	24%	0.239	S	C	*	.	S	Bend	trans	-151.6	72.6	178.3	-165.1	0	0	0	0	112.3	S153	S153-C184 PolarHBondContact OG-SG 2.98Å
185	P	92.5	Very high	93.7	Very high	57 Å²	57	40 Å²	40	37%	0.37	23%	0.233	S	C	.	.	S	Bend	cis	-80	158.2	-6.3	34.8	-35.1	0	0	0	112.1	E93	E93-P185 HydrophobicContact CB-CB 4.4Å; E93-P185 HydrophobicContact CG-CB 3.75Å; E93-P185 HydrophobicContact CG-CG 3.7Å
186	P	94.3	Very high	93.6	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.019	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-68.6	143.7	171.1	28.9	-32.4	0	0	0	110.1	E93 M151 V181 P182 A190	E93-P186 VanDerWaalsContact CB-O 3.3Å; E93-P186 WeakPolarHBondContact CB-O 3.25Å; E93-P186 VanDerWaalsContact CG-O 3.26Å; E93-P186 WeakPolarHBondContact CG-O 3.49Å; M151-P186 HydrophobicContact CE-CG 3.61Å; M151-P186 HydrophobicContact CG-CG 3.54Å; M151-P186 HydrophobicContact SD-CG 4.44Å; V181-P186 HydrophobicContact CG1-CB 3.76Å; V181-P186 HydrophobicContact CG1-CG 4.13Å; P182-P186 WeakPolarHBondContact O-CB 3.2Å; P186-A190 HydrophobicContact CB-CB 4.31Å
187	T	94.6	Very high	93.6	Very high	79 Å²	79	41 Å²	41	49%	0.485	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-61.9	150.2	174.4	58.8	0	0	0	0	110.4	E189 A190 L191	T187-E189 PolarHBondContact O-N 3.22Å; T187-E189 VanDerWaalsContact O-N 3.14Å; T187-A190 WeakPolarHBondContact O-CB 3.32Å; T187-A190 PolarHBondContact O-N 3.19Å; T187-A190 PolarHBondContact OG1-N 2.78Å; T187-L191 PolarHBondContact O-N 3.3Å; T187-L191 VanDerWaalsContact O-N 3.13Å
188	A	93.7	Very high	93.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	23%	0.226	C	C	.	.	H	α-helix	trans	-53.4	-32.6	174.3	0	0	0	0	0	113.7	E93 H96 F97 Y102 L191 L192	E93-A188 PolarHBondContact OE2-N 2.63Å; H96-A188 HydrophobicContact CB-CB 4.06Å; F97-A188 HydrophobicContact CB-CB 4.25Å; Y102-A188 HydrophobicContact CD2-CB 3.41Å; Y102-A188 VanDerWaalsContact CD2-CB 3.41Å; Y102-A188 HydrophobicContact CE2-CB 3.4Å; Y102-A188 HydrophobicContact CG-CB 4.23Å; A188-L191 PolarHBondContact O-N 2.88Å; A188-L192 PolarHBondContact O-N 3.07Å
189	E	94.2	Very high	93.4	Very high	117 Å²	117	39 Å²	39	55%	0.547	22%	0.22	S	C	.	.	H	α-helix	trans	-64.5	-40.9	173	-65	179.2	169.8	0	0	112.8	Y102 T187 L191 L192 Y193	Y102-E189 HydrophobicContact CD1-CG 4.05Å; Y102-E189 HydrophobicContact CE1-CG 3.28Å; T187-E189 PolarHBondContact O-N 3.22Å; T187-E189 VanDerWaalsContact O-N 3.14Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.43Å; E189-L192 PolarHBondContact O-N 3.28Å; E189-Y193 WeakPolarHBondContact O-CB 3.41Å; E189-Y193 PolarHBondContact O-N 3.19Å
190	A	94.2	Very high	93.3	Very high	29 Å²	29	42.7 Å²	42.7	24%	0.24	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-36.2	176.9	0	0	0	0	0	111.4	V181 P186 T187 Y193 A194	V181-A190 HydrophobicContact CG1-CB 4.27Å; P186-A190 HydrophobicContact CB-CB 4.31Å; T187-A190 WeakPolarHBondContact O-CB 3.32Å; T187-A190 PolarHBondContact O-N 3.19Å; T187-A190 PolarHBondContact OG1-N 2.78Å; A190-Y193 WeakPolarHBondContact O-CB 3.4Å; A190-Y193 PolarHBondContact O-N 3.44Å; A190-A194 PolarHBondContact O-N 3.41Å
191	L	93.3	Very high	93	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-68.7	-42.5	173	-174.1	140.2	0	0	0	111.7	F97 I122 M151 T187 A188 E189 Y193 A194 V195	F97-L191 HydrophobicContact CB-CD2 3.9Å; F97-L191 HydrophobicContact CD1-CD2 3.31Å; F97-L191 HydrophobicContact CD2-CD2 3.49Å; F97-L191 VanDerWaalsContact CD2-CD2 3.49Å; F97-L191 HydrophobicContact CE1-CD2 3.5Å; F97-L191 VanDerWaalsContact CE1-CD2 3.5Å; F97-L191 HydrophobicContact CE2-CD2 3.7Å; F97-L191 HydrophobicContact CG-CD2 3.28Å; F97-L191 HydrophobicContact CZ-CD2 3.69Å; I122-L191 HydrophobicContact CG2-CD1 4.36Å; M151-L191 HydrophobicContact CB-CD1 4.45Å; M151-L191 HydrophobicContact CE-CB 4.46Å; M151-L191 HydrophobicContact CE-CD1 3.44Å; M151-L191 VanDerWaalsContact CE-CD1 3.44Å; M151-L191 HydrophobicContact CG-CD1 3.84Å; M151-L191 HydrophobicContact SD-CD1 3.24Å; M151-L191 WeakPolarHBondContact SD-CD1 3.35Å; T187-L191 PolarHBondContact O-N 3.3Å; T187-L191 VanDerWaalsContact O-N 3.13Å; A188-L191 PolarHBondContact O-N 2.88Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.43Å; L191-Y193 VanDerWaalsContact C-N 3.28Å; L191-Y193 PolarHBondContact O-N 3.28Å; L191-A194 WeakPolarHBondContact O-CB 3.21Å; L191-A194 PolarHBondContact O-N 3.07Å; L191-A194 VanDerWaalsContact O-N 3.14Å; L191-V195 HydrophobicContact CD2-CG2 4.23Å; L191-V195 WeakPolarHBondContact O-CG2 3.43Å; L191-V195 PolarHBondContact O-N 2.96Å
192	L	93.2	Very high	92.8	Very high	28 Å²	28	44.1 Å²	44.1	15%	0.147	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-44	173.5	174.3	60.4	0	0	0	111.1	F97 F107 A188 E189 A194 V195 L196	F97-L192 HydrophobicContact CD2-CB 4.06Å; F97-L192 HydrophobicContact CE2-CB 3.85Å; F97-L192 HydrophobicContact CE2-CD1 3.82Å; F97-L192 HydrophobicContact CE2-CG 4.43Å; F107-L192 HydrophobicContact CD2-CD1 3.62Å; F107-L192 HydrophobicContact CE2-CD1 3.36Å; F107-L192 HydrophobicContact CE2-CD2 4.09Å; F107-L192 HydrophobicContact CE2-CG 4.35Å; F107-L192 HydrophobicContact CG-CD1 4.43Å; F107-L192 HydrophobicContact CZ-CD1 3.99Å; F107-L192 HydrophobicContact CZ-CD2 4.42Å; A188-L192 PolarHBondContact O-N 3.07Å; E189-L192 PolarHBondContact O-N 3.28Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.85Å; L192-V195 PolarHBondContact O-N 3.02Å; L192-L196 HydrophobicContact CD1-CG 4.45Å; L192-L196 HydrophobicContact CG-CD1 4.48Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.94Å
193	Y	94.1	Very high	92.5	Very high	98 Å²	98	42.7 Å²	42.7	38%	0.384	23%	0.228	S	C	.	.	H	α-helix	trans	-57.1	-44.8	174.9	-176.7	-105.3	0	0	0	112.1	D41 E189 A190 L191 V195 L196 Q197	D41-Y193 PolarHBondContact OD1-OH 3.45Å; D41-Y193 PolarHBondContact OD2-OH 2.99Å; E189-Y193 WeakPolarHBondContact O-CB 3.41Å; E189-Y193 PolarHBondContact O-N 3.19Å; A190-Y193 WeakPolarHBondContact O-CB 3.4Å; A190-Y193 PolarHBondContact O-N 3.44Å; L191-Y193 VanDerWaalsContact C-N 3.28Å; L191-Y193 PolarHBondContact O-N 3.28Å; Y193-V195 VanDerWaalsContact C-N 3.34Å; Y193-V195 PolarHBondContact O-N 3.09Å; Y193-L196 PolarHBondContact O-N 2.83Å; Y193-Q197 WeakPolarHBondContact O-CB 3.46Å; Y193-Q197 PolarHBondContact O-N 3.24Å
194	A	93	Very high	92.2	Very high	5 Å²	5	45 Å²	45	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-38.8	177.4	0	0	0	0	0	112.9	I179 V181 A190 L191 L192 Q197 L198	I179-A194 WeakPolarHBondContact CD1-O 3.5Å; I179-A194 HydrophobicContact CG2-CB 4.01Å; V181-A194 HydrophobicContact CB-CB 4.46Å; V181-A194 HydrophobicContact CG1-CB 4.42Å; V181-A194 HydrophobicContact CG2-CB 3.35Å; A190-A194 PolarHBondContact O-N 3.41Å; L191-A194 WeakPolarHBondContact O-CB 3.21Å; L191-A194 PolarHBondContact O-N 3.07Å; L191-A194 VanDerWaalsContact O-N 3.14Å; L192-A194 VanDerWaalsContact C-N 3.31Å; L192-A194 PolarHBondContact O-N 2.85Å; A194-Q197 WeakPolarHBondContact O-CB 3.34Å; A194-Q197 PolarHBondContact O-N 2.95Å; A194-L198 PolarHBondContact O-N 3.1Å
195	V	92.7	Very high	91.6	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-42.6	174.6	174.3	0	0	0	0	111	F97 V109 I149 L191 L192 Y193 Q197 L198 Q199	F97-V195 HydrophobicContact CZ-CG2 4.01Å; V109-V195 HydrophobicContact CG2-CG1 3.94Å; I149-V195 HydrophobicContact CD1-CG2 4.07Å; L191-V195 HydrophobicContact CD2-CG2 4.23Å; L191-V195 WeakPolarHBondContact O-CG2 3.43Å; L191-V195 PolarHBondContact O-N 2.96Å; L192-V195 PolarHBondContact O-N 3.02Å; Y193-V195 VanDerWaalsContact C-N 3.34Å; Y193-V195 PolarHBondContact O-N 3.09Å; V195-Q197 VanDerWaalsContact C-N 3.3Å; V195-Q197 PolarHBondContact O-N 3.44Å; V195-L198 WeakPolarHBondContact O-CA 3.23Å; V195-L198 VanDerWaalsContact O-CB 3.31Å; V195-L198 WeakPolarHBondContact O-CB 3.32Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-L198 VanDerWaalsContact O-N 3.12Å; V195-Q199 WeakPolarHBondContact O-CG 3.47Å; V195-Q199 PolarHBondContact O-N 3.11Å
196	L	91.9	Very high	91.3	Very high	56 Å²	56	45.3 Å²	45.3	29%	0.293	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-37	174.6	-65.6	176.3	0	0	0	111.9	F107 L192 Y193 L198 Q199 K200	F107-L196 HydrophobicContact CD1-CD2 3.94Å; F107-L196 HydrophobicContact CE1-CD2 3.96Å; L192-L196 HydrophobicContact CD1-CG 4.45Å; L192-L196 HydrophobicContact CG-CD1 4.48Å; L192-L196 WeakPolarHBondContact O-CG 3.39Å; L192-L196 PolarHBondContact O-N 2.94Å; Y193-L196 PolarHBondContact O-N 2.83Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L196-Q199 WeakPolarHBondContact O-CB 3.3Å; L196-Q199 PolarHBondContact O-N 2.98Å; L196-K200 WeakPolarHBondContact O-CG 3.32Å; L196-K200 PolarHBondContact O-N 3.06Å
197	Q	92.4	Very high	90.8	Very high	40 Å²	40	51 Å²	51	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-36.6	173.4	-165.7	70.1	-3.6	0	0	111.3	I179 Y193 A194 V195 K200 K201	I179-Q197 HydrophobicContact CD1-CB 4.2Å; I179-Q197 HydrophobicContact CD1-CG 4.39Å; Y193-Q197 WeakPolarHBondContact O-CB 3.46Å; Y193-Q197 PolarHBondContact O-N 3.24Å; A194-Q197 WeakPolarHBondContact O-CB 3.34Å; A194-Q197 PolarHBondContact O-N 2.95Å; V195-Q197 VanDerWaalsContact C-N 3.3Å; V195-Q197 PolarHBondContact O-N 3.44Å; Q197-K200 WeakPolarHBondContact O-CB 3.21Å; Q197-K200 PolarHBondContact O-N 3.12Å; Q197-K200 VanDerWaalsContact OE1-NZ 3.1Å; Q197-K201 PolarHBondContact O-N 3.04Å
198	L	91.7	Very high	90.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.2	-45.1	171.8	-167.8	60.4	0	0	0	111.4	L80 W147 I149 D178 I179 A194 V195 L196 K200 K201 I202	L80-L198 HydrophobicContact CD1-CD2 4.4Å; W147-L198 HydrophobicContact CB-CD1 3.99Å; W147-L198 HydrophobicContact CB-CD2 4.01Å; W147-L198 HydrophobicContact CG-CD1 3.99Å; W147-L198 HydrophobicContact CG-CD2 4.42Å; I149-L198 HydrophobicContact CD1-CD2 3.92Å; I149-L198 HydrophobicContact CG1-CD2 4.16Å; D178-L198 HydrophobicContact CB-CD1 4.37Å; I179-L198 HydrophobicContact CD1-CB 3.54Å; I179-L198 HydrophobicContact CD1-CD1 3.76Å; I179-L198 HydrophobicContact CD1-CG 4.23Å; I179-L198 HydrophobicContact CG1-CD1 4.3Å; A194-L198 PolarHBondContact O-N 3.1Å; V195-L198 WeakPolarHBondContact O-CA 3.23Å; V195-L198 VanDerWaalsContact O-CB 3.31Å; V195-L198 WeakPolarHBondContact O-CB 3.32Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-L198 VanDerWaalsContact O-N 3.12Å; L196-L198 VanDerWaalsContact C-N 3.31Å; L198-K200 VanDerWaalsContact C-N 3.27Å; L198-K200 PolarHBondContact O-N 2.92Å; L198-K201 HydrophobicContact CD1-CD 4.48Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 PolarHBondContact O-N 3.39Å; L198-K201 VanDerWaalsContact O-N 3.08Å; L198-I202 HydrophobicContact CG-CD1 4.07Å; L198-I202 WeakPolarHBondContact O-CG1 3.42Å; L198-I202 PolarHBondContact O-N 2.8Å
199	Q	92.2	Very high	90.1	Very high	26 Å²	26	49.2 Å²	49.2	12%	0.121	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-37.6	175.9	-69.8	179.2	-10.2	0	0	112	R77 L80 F107 V195 L196 I202 K203	R77-Q199 HydrophobicContact CB-CB 4.15Å; R77-Q199 HydrophobicContact CB-CG 4.17Å; R77-Q199 PolarHBondContact O-NE2 3.4Å; L80-Q199 HydrophobicContact CD1-CG 3.62Å; F107-Q199 PolarHBondContact O-NE2 2.97Å; V195-Q199 WeakPolarHBondContact O-CG 3.47Å; V195-Q199 PolarHBondContact O-N 3.11Å; L196-Q199 WeakPolarHBondContact O-CB 3.3Å; L196-Q199 PolarHBondContact O-N 2.98Å; Q199-I202 PolarHBondContact O-N 3.25Å; Q199-K203 VanDerWaalsContact O-CB 3.32Å; Q199-K203 WeakPolarHBondContact O-CB 3.44Å; Q199-K203 PolarHBondContact O-N 3.49Å
200	K	90.4	Very high	89.8	Confident	97 Å²	97	48.9 Å²	48.9	42%	0.422	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-42.4	172.5	-68.8	174.2	-168.7	165.9	0	112	L196 Q197 L198 I202 K203 N204	L196-K200 WeakPolarHBondContact O-CG 3.32Å; L196-K200 PolarHBondContact O-N 3.06Å; Q197-K200 WeakPolarHBondContact O-CB 3.21Å; Q197-K200 PolarHBondContact O-N 3.12Å; Q197-K200 VanDerWaalsContact OE1-NZ 3.1Å; L198-K200 VanDerWaalsContact C-N 3.27Å; L198-K200 PolarHBondContact O-N 2.92Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-I202 PolarHBondContact O-N 3.33Å; K200-K203 WeakPolarHBondContact O-CB 3.36Å; K200-K203 PolarHBondContact O-N 3.27Å; K200-N204 PolarHBondContact O-N 3.49Å
201	K	88.8	Confident	89.6	Confident	89 Å²	89	55.7 Å²	55.7	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-43.7	175.8	-170.9	-179.9	-173.2	179.1	0	111.4	D178 Q197 L198 N204 S205	D178-K201 PolarHBondContact O-NZ 2.99Å; D178-K201 IonicContact OD1-NZ 3.96Å; D178-K201 PolarHBondContact OD1-NZ 3.14Å; Q197-K201 PolarHBondContact O-N 3.04Å; L198-K201 HydrophobicContact CD1-CD 4.48Å; L198-K201 WeakPolarHBondContact O-CB 3.36Å; L198-K201 PolarHBondContact O-N 3.39Å; L198-K201 VanDerWaalsContact O-N 3.08Å; K201-N204 PolarHBondContact O-N 3.16Å; K201-S205 PolarHBondContact O-OG 3.1Å
202	I	89.6	Confident	89.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-44.5	177	-66.6	170.9	0	0	0	110.7	N73 R76 R77 L80 W147 L198 Q199 K200 N204 S205	N73-I202 VanDerWaalsContact CG-O 3.27Å; N73-I202 PolarHBondContact ND2-O 3.45Å; N73-I202 PolarHBondContact OD1-O 3.47Å; R76-I202 HydrophobicContact CB-CG2 3.85Å; R77-I202 HydrophobicContact CB-CB 4.48Å; R77-I202 HydrophobicContact CB-CG2 4.16Å; L80-I202 HydrophobicContact CD1-CD1 4.16Å; L80-I202 HydrophobicContact CD2-CD1 3.64Å; L80-I202 HydrophobicContact CG-CD1 4.35Å; W147-I202 HydrophobicContact CD2-CD1 3.92Å; W147-I202 HydrophobicContact CD2-CG1 4.27Å; W147-I202 HydrophobicContact CE3-CD1 3.93Å; W147-I202 HydrophobicContact CH2-CD1 3.7Å; W147-I202 HydrophobicContact CH2-CG1 4.07Å; W147-I202 HydrophobicContact CZ2-CD1 3.69Å; W147-I202 HydrophobicContact CZ2-CG1 3.57Å; W147-I202 HydrophobicContact CZ2-CG2 4.39Å; W147-I202 HydrophobicContact CZ3-CD1 3.82Å; L198-I202 HydrophobicContact CG-CD1 4.07Å; L198-I202 WeakPolarHBondContact O-CG1 3.42Å; L198-I202 PolarHBondContact O-N 2.8Å; Q199-I202 PolarHBondContact O-N 3.25Å; K200-I202 VanDerWaalsContact C-N 3.34Å; K200-I202 PolarHBondContact O-N 3.33Å; I202-N204 PolarHBondContact O-N 2.72Å; I202-S205 VanDerWaalsContact O-CB 3.25Å; I202-S205 WeakPolarHBondContact O-CB 3.35Å; I202-S205 PolarHBondContact O-N 2.83Å; I202-S205 PolarHBondContact O-OG 3.27Å
203	K	88.3	Confident	88.9	Confident	54 Å²	54	67.1 Å²	67.1	24%	0.235	30%	0.295	C	S	.	.	H	α-helix	trans	-55	-35.7	177.9	-175.5	-179.8	177.7	-176.7	0	112.9	G51 N73 Q199 K200 S205	G51-K203 WeakPolarHBondContact O-CE 3.35Å; G51-K203 PolarHBondContact O-NZ 3.14Å; N73-K203 PolarHBondContact ND2-O 3.44Å; Q199-K203 VanDerWaalsContact O-CB 3.32Å; Q199-K203 WeakPolarHBondContact O-CB 3.44Å; Q199-K203 PolarHBondContact O-N 3.49Å; K200-K203 WeakPolarHBondContact O-CB 3.36Å; K200-K203 PolarHBondContact O-N 3.27Å; K203-S205 VanDerWaalsContact C-N 3.34Å
204	N	85.9	Confident	88.3	Confident	78 Å²	78	72.1 Å²	72.1	42%	0.417	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.2	-178.4	-66.9	-15	0	0	0	114.1	K200 K201 I202	K200-N204 PolarHBondContact O-N 3.49Å; K201-N204 PolarHBondContact O-N 3.16Å; I202-N204 PolarHBondContact O-N 2.72Å
205	S	82.7	Confident	88.1	Confident	42 Å²	42	75.5 Å²	75.5	29%	0.294	34%	0.336	S	S	.	.			trans	-75	126.9	-176.6	-67.9	0	0	0	0	111.9	N73 K201 I202 K203	N73-S205 PolarHBondContact ND2-O 3.23Å; K201-S205 PolarHBondContact O-OG 3.1Å; I202-S205 VanDerWaalsContact O-CB 3.25Å; I202-S205 WeakPolarHBondContact O-CB 3.35Å; I202-S205 PolarHBondContact O-N 2.83Å; I202-S205 PolarHBondContact O-OG 3.27Å; K203-S205 VanDerWaalsContact C-N 3.34Å
206	K	85.4	Confident	87.9	Confident	104 Å²	104	79.2 Å²	79.2	45%	0.452	35%	0.352	S	S	.	.			trans	-107	67	-173.7	-40.3	-160.8	161.6	-179.4	0	111.7	F54 Q209 M210	F54-K206 HydrophobicContact CD1-CD 4.15Å; F54-K206 HydrophobicContact CD1-CG 4.44Å; F54-K206 HydrophobicContact CE1-CB 3.91Å; F54-K206 HydrophobicContact CE1-CD 3.6Å; F54-K206 HydrophobicContact CE1-CG 3.43Å; F54-K206 VanDerWaalsContact CE1-CG 3.43Å; F54-K206 HydrophobicContact CZ-CB 4.46Å; F54-K206 HydrophobicContact CZ-CG 4.06Å; K206-Q209 HydrophobicContact CB-CB 4.28Å; K206-M210 HydrophobicContact CB-CG 4.38Å; K206-M210 WeakPolarHBondContact O-CB 3.24Å; K206-M210 WeakPolarHBondContact O-CG 3.22Å; K206-M210 PolarHBondContact O-N 2.77Å
207	R	85.7	Confident	87.7	Confident	122 Å²	122	80.5 Å²	80.5	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-76.9	-48.9	-169.3	-173.8	169.8	-65.8	170.1	3.8	111.7	D69 R76 M210 W211	D69-R207 PolarHBondContact OD1-N 3.08Å; D69-R207 VanDerWaalsContact OD1-N 3.08Å; D69-R207 PolarHBondContact OD2-N 3.22Å; R76-R207 VanDerWaalsContact CZ-NH1 3.31Å; R207-M210 PolarHBondContact O-N 2.89Å; R207-W211 PolarHBondContact O-N 2.85Å
208	V	88	Confident	87.4	Confident	31 Å²	31	82.9 Å²	82.9	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-70.5	-41	-177.1	177.7	0	0	0	0	110.4	L65 A68 D69 I72 M210 W211 Y212	L65-V208 HydrophobicContact CB-CG1 4.21Å; L65-V208 HydrophobicContact CD2-CG1 3.42Å; L65-V208 VanDerWaalsContact CD2-CG1 3.42Å; L65-V208 HydrophobicContact CG-CG1 4.38Å; A68-V208 HydrophobicContact CB-CG1 4.48Å; D69-V208 WeakPolarHBondContact OD1-CB 3.37Å; D69-V208 WeakPolarHBondContact OD1-CG2 3.29Å; D69-V208 PolarHBondContact OD1-N 3.5Å; D69-V208 PolarHBondContact OD2-N 3.19Å; I72-V208 HydrophobicContact CD1-CG2 3.67Å; V208-M210 VanDerWaalsContact C-N 3.34Å; V208-M210 PolarHBondContact O-N 2.81Å; V208-W211 PolarHBondContact O-N 2.97Å; V208-Y212 PolarHBondContact O-N 2.93Å; V208-Y212 VanDerWaalsContact O-N 3.11Å
209	Q	85	Confident	87.1	Confident	12 Å²	12	88 Å²	88	6%	0.056	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-38.5	174	-71.3	-175.9	-17.2	0	0	113.2	F54 L65 D69 K206 Y212 R213	F54-Q209 VanDerWaalsContact CD1-OE1 3.23Å; F54-Q209 VanDerWaalsContact CE1-OE1 3.32Å; L65-Q209 HydrophobicContact CB-CG 4.19Å; D69-Q209 WeakPolarHBondContact OD2-CG 3.47Å; D69-Q209 PolarHBondContact OD2-N 3.23Å; K206-Q209 HydrophobicContact CB-CB 4.28Å; Q209-Y212 PolarHBondContact O-N 2.94Å; Q209-R213 WeakPolarHBondContact O-CG 3.29Å; Q209-R213 PolarHBondContact O-N 3.39Å
210	M	86.7	Confident	86.8	Confident	109 Å²	109	92.1 Å²	92.1	54%	0.537	41%	0.405	S	S	.	.	H	α-helix	trans	-70.9	-34.2	177.1	-74.7	-61.8	-59.9	0	0	112.2	K206 R207 V208 Y212 R213 Q214	K206-M210 HydrophobicContact CB-CG 4.38Å; K206-M210 WeakPolarHBondContact O-CB 3.24Å; K206-M210 WeakPolarHBondContact O-CG 3.22Å; K206-M210 PolarHBondContact O-N 2.77Å; R207-M210 PolarHBondContact O-N 2.89Å; V208-M210 VanDerWaalsContact C-N 3.34Å; V208-M210 PolarHBondContact O-N 2.81Å; M210-Y212 VanDerWaalsContact C-N 3.34Å; M210-R213 PolarHBondContact O-N 3.14Å; M210-Q214 WeakPolarHBondContact O-CG 3.35Å; M210-Q214 PolarHBondContact O-N 2.99Å
211	W	90.2	Very high	86.5	Confident	173 Å²	173	91.8 Å²	91.8	66%	0.655	40%	0.404	S	S	*	.	H	α-helix	trans	-62.7	-40.7	173	170.5	74.9	0	0	0	112	R207 V208 R213 Q214	R207-W211 PolarHBondContact O-N 2.85Å; V208-W211 PolarHBondContact O-N 2.97Å; W211-R213 VanDerWaalsContact C-N 3.32Å; W211-R213 PolarHBondContact O-N 3.28Å; W211-Q214 PolarHBondContact O-N 2.9Å
212	Y	87	Confident	86.3	Confident	122 Å²	122	92 Å²	92	48%	0.478	41%	0.406	S	S	.	.	H	α-helix	trans	-70.3	-24.3	178.2	179.4	-107.8	0	0	0	114.3	L65 V208 Q209 M210	L65-Y212 HydrophobicContact CD1-CD1 3.49Å; L65-Y212 VanDerWaalsContact CD1-CD1 3.49Å; L65-Y212 HydrophobicContact CD1-CD2 3.9Å; L65-Y212 HydrophobicContact CD1-CE1 4.15Å; L65-Y212 HydrophobicContact CD1-CG 3.34Å; V208-Y212 PolarHBondContact O-N 2.93Å; V208-Y212 VanDerWaalsContact O-N 3.11Å; Q209-Y212 PolarHBondContact O-N 2.94Å; M210-Y212 VanDerWaalsContact C-N 3.34Å
213	R	85.9	Confident	86.1	Confident	145 Å²	145	99.7 Å²	99.7	55%	0.547	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.1	177.7	-70	-177.6	-158.6	-77.7	-7.7	113.5	E62 Q209 M210 W211	E62-R213 IonicContact OE1-CZ 2.79Å; E62-R213 IonicContact OE1-NH1 3.13Å; E62-R213 PolarHBondContact OE1-NH1 3.46Å; E62-R213 VanDerWaalsContact OE1-NH1 3.08Å; E62-R213 IonicContact OE1-NH2 3.17Å; E62-R213 PolarHBondContact OE1-NH2 3.47Å; Q209-R213 WeakPolarHBondContact O-CG 3.29Å; Q209-R213 PolarHBondContact O-N 3.39Å; M210-R213 PolarHBondContact O-N 3.14Å; W211-R213 VanDerWaalsContact C-N 3.32Å; W211-R213 PolarHBondContact O-N 3.28Å
214	Q	82.2	Confident	85.9	Confident	204 Å²	204	103.8 Å²	103.8	95%	0.953	46%	0.458	S	S	*	.			trans	-77.5	0	172	-72.8	170.5	35.1	0	0	109.6	M210 W211	M210-Q214 WeakPolarHBondContact O-CG 3.35Å; M210-Q214 PolarHBondContact O-N 2.99Å; W211-Q214 PolarHBondContact O-N 2.9Å

Retrieved 214 of 214 residues in 338 ms (Link to these results)

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